USER MOD reduce.3.24.130724 H: found=0, std=0, add=767, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 767 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 4 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 7 GLN : amide:sc=-0.00649 K(o=-0.0065,f=-0.64) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 13 THR OG1 : rot 180:sc= 0.0782 USER MOD Single : A 19 LYS NZ :NH3+ -113:sc= 0.605 (180deg=-0.147) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 1.12 (180deg=1.12) USER MOD Single : A 32 GLN : amide:sc= -0.0261 X(o=-0.026,f=-0.042) USER MOD Single : A 34 SER OG : rot 72:sc= 0.421 USER MOD Single : A 35 SER OG : rot 180:sc= 0.0305 USER MOD Single : A 38 HIS : no HE2:sc= 1.1 K(o=1.1,f=-3.4!) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 HIS : no HD1:sc= -0.476 K(o=-0.48,f=0.12) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ 174:sc= 0.838 (180deg=0.811) USER MOD Single : A 51 LYS NZ :NH3+ 171:sc= 1.93 (180deg=1.85) USER MOD Single : A 53 SER OG : rot 75:sc= 0.551 USER MOD Single : A 54 TYR OH : rot 19:sc= 1.06 USER MOD Single : A 55 CYS SG : rot 83:sc= -0.349 USER MOD Single : A 56 GLN : amide:sc= 0 K(o=0,f=-0.66) USER MOD Single : A 58 GLN : amide:sc= 0.806 K(o=0.81,f=-0.76) USER MOD Single : A 62 MET CE :methyl -175:sc= 0 (180deg=-0.027) USER MOD Single : A 63 ASN : amide:sc= 0.145 K(o=0.15,f=-5.1!) USER MOD Single : A 64 SER OG : rot 103:sc= 1.23 USER MOD Single : A 72 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 77 ASN : amide:sc= -0.164 K(o=-0.16,f=-0.86) USER MOD Single : A 78 HIS : no HE2:sc= 1.06 K(o=1.1,f=-3.4!) USER MOD Single : A 79 THR OG1 : rot 180:sc= -0.0611 USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 MET CE :methyl -149:sc= -0.283 (180deg=-0.823) USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD Single : A 95 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 97 GLN : amide:sc= 0.511 K(o=0.51,f=-4.5!) USER MOD Single : A 98 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 4 -7.933 1.619 6.737 1.00 1.00 N ATOM 2 CA MET A 4 -7.227 0.884 7.822 1.00 52.33 C ATOM 3 C MET A 4 -5.717 0.879 7.603 1.00 60.42 C ATOM 4 O MET A 4 -4.969 1.029 8.567 1.00 63.42 O ATOM 5 CB MET A 4 -7.760 -0.547 7.932 1.00 33.33 C ATOM 6 CG MET A 4 -7.315 -1.275 9.192 1.00 2.41 C ATOM 7 SD MET A 4 -8.055 -2.912 9.296 1.00 15.23 S ATOM 8 CE MET A 4 -7.629 -3.388 10.979 1.00 51.31 C ATOM 0 HA MET A 4 -7.423 1.404 8.760 1.00 52.33 H new ATOM 0 HB2 MET A 4 -8.849 -0.522 7.904 1.00 33.33 H new ATOM 0 HB3 MET A 4 -7.432 -1.115 7.061 1.00 33.33 H new ATOM 0 HG2 MET A 4 -6.229 -1.363 9.199 1.00 2.41 H new ATOM 0 HG3 MET A 4 -7.593 -0.691 10.069 1.00 2.41 H new ATOM 0 HE1 MET A 4 -8.023 -4.383 11.186 1.00 51.31 H new ATOM 0 HE2 MET A 4 -6.545 -3.396 11.091 1.00 51.31 H new ATOM 0 HE3 MET A 4 -8.061 -2.673 11.680 1.00 51.31 H new ATOM 18 N SER A 5 -5.233 0.685 6.381 1.00 31.34 N ATOM 19 CA SER A 5 -3.789 0.609 6.139 1.00 63.42 C ATOM 20 C SER A 5 -3.027 1.899 6.440 1.00 21.41 C ATOM 21 O SER A 5 -1.880 1.862 6.894 1.00 43.23 O ATOM 22 CB SER A 5 -3.540 0.255 4.674 1.00 74.15 C ATOM 23 OG SER A 5 -4.254 -0.915 4.310 1.00 4.21 O ATOM 0 H SER A 5 -5.810 0.578 5.547 1.00 31.34 H new ATOM 0 HA SER A 5 -3.418 -0.153 6.824 1.00 63.42 H new ATOM 0 HB2 SER A 5 -3.845 1.086 4.038 1.00 74.15 H new ATOM 0 HB3 SER A 5 -2.474 0.102 4.508 1.00 74.15 H new ATOM 0 HG SER A 5 -4.082 -1.123 3.368 1.00 4.21 H new ATOM 29 N ASP A 6 -3.646 3.041 6.181 1.00 74.03 N ATOM 30 CA ASP A 6 -2.996 4.321 6.452 1.00 61.13 C ATOM 31 C ASP A 6 -3.118 4.631 7.945 1.00 21.53 C ATOM 32 O ASP A 6 -4.206 4.497 8.517 1.00 11.35 O ATOM 33 CB ASP A 6 -3.654 5.424 5.623 1.00 13.10 C ATOM 34 CG ASP A 6 -2.769 6.650 5.452 1.00 5.15 C ATOM 35 OD1 ASP A 6 -1.650 6.717 6.011 1.00 42.24 O ATOM 36 OD2 ASP A 6 -3.166 7.550 4.676 1.00 62.34 O ATOM 0 H ASP A 6 -4.585 3.112 5.789 1.00 74.03 H new ATOM 0 HA ASP A 6 -1.942 4.268 6.178 1.00 61.13 H new ATOM 0 HB2 ASP A 6 -3.910 5.028 4.640 1.00 13.10 H new ATOM 0 HB3 ASP A 6 -4.588 5.721 6.100 1.00 13.10 H new ATOM 41 N GLN A 7 -2.024 5.016 8.586 1.00 55.52 N ATOM 42 CA GLN A 7 -2.038 5.289 10.024 1.00 14.25 C ATOM 43 C GLN A 7 -2.901 6.518 10.314 1.00 72.43 C ATOM 44 O GLN A 7 -3.012 7.424 9.483 1.00 42.32 O ATOM 45 CB GLN A 7 -0.605 5.480 10.547 1.00 22.23 C ATOM 46 CG GLN A 7 0.100 6.742 10.033 1.00 2.23 C ATOM 47 CD GLN A 7 1.570 6.814 10.390 1.00 52.53 C ATOM 48 OE1 GLN A 7 2.133 5.927 11.025 1.00 72.50 O ATOM 49 NE2 GLN A 7 2.218 7.852 9.938 1.00 72.15 N ATOM 0 H GLN A 7 -1.117 5.147 8.139 1.00 55.52 H new ATOM 0 HA GLN A 7 -2.472 4.436 10.545 1.00 14.25 H new ATOM 0 HB2 GLN A 7 -0.631 5.513 11.636 1.00 22.23 H new ATOM 0 HB3 GLN A 7 -0.012 4.609 10.268 1.00 22.23 H new ATOM 0 HG2 GLN A 7 -0.003 6.787 8.949 1.00 2.23 H new ATOM 0 HG3 GLN A 7 -0.405 7.619 10.438 1.00 2.23 H new ATOM 0 HE21 GLN A 7 1.723 8.573 9.413 1.00 72.15 H new ATOM 0 HE22 GLN A 7 3.219 7.942 10.109 1.00 72.15 H new ATOM 58 N GLU A 8 -3.543 6.558 11.472 1.00 74.20 N ATOM 59 CA GLU A 8 -4.437 7.672 11.795 1.00 65.32 C ATOM 60 C GLU A 8 -3.707 8.960 12.187 1.00 34.44 C ATOM 61 O GLU A 8 -4.257 10.057 12.044 1.00 61.40 O ATOM 62 CB GLU A 8 -5.440 7.262 12.879 1.00 4.32 C ATOM 63 CG GLU A 8 -4.882 7.002 14.275 1.00 74.52 C ATOM 64 CD GLU A 8 -5.965 6.489 15.213 1.00 51.30 C ATOM 65 OE1 GLU A 8 -7.024 7.146 15.337 1.00 24.13 O ATOM 66 OE2 GLU A 8 -5.801 5.412 15.835 1.00 64.41 O ATOM 0 H GLU A 8 -3.467 5.845 12.198 1.00 74.20 H new ATOM 0 HA GLU A 8 -4.973 7.904 10.875 1.00 65.32 H new ATOM 0 HB2 GLU A 8 -6.195 8.045 12.956 1.00 4.32 H new ATOM 0 HB3 GLU A 8 -5.950 6.359 12.544 1.00 4.32 H new ATOM 0 HG2 GLU A 8 -4.073 6.274 14.216 1.00 74.52 H new ATOM 0 HG3 GLU A 8 -4.455 7.921 14.676 1.00 74.52 H new ATOM 73 N ALA A 9 -2.474 8.829 12.656 1.00 4.14 N ATOM 74 CA ALA A 9 -1.622 9.963 13.007 1.00 33.14 C ATOM 75 C ALA A 9 -0.182 9.462 12.937 1.00 65.23 C ATOM 76 O ALA A 9 0.056 8.267 13.131 1.00 21.23 O ATOM 77 CB ALA A 9 -1.937 10.450 14.430 1.00 63.22 C ATOM 0 H ALA A 9 -2.030 7.923 12.806 1.00 4.14 H new ATOM 0 HA ALA A 9 -1.787 10.799 12.327 1.00 33.14 H new ATOM 0 HB1 ALA A 9 -1.294 11.295 14.676 1.00 63.22 H new ATOM 0 HB2 ALA A 9 -2.981 10.760 14.486 1.00 63.22 H new ATOM 0 HB3 ALA A 9 -1.760 9.641 15.139 1.00 63.22 H new ATOM 83 N LYS A 10 0.771 10.356 12.715 1.00 14.22 N ATOM 84 CA LYS A 10 2.191 10.000 12.782 1.00 41.41 C ATOM 85 C LYS A 10 2.636 10.006 14.250 1.00 51.42 C ATOM 86 O LYS A 10 2.348 10.976 14.969 1.00 15.42 O ATOM 87 CB LYS A 10 3.002 11.000 11.950 1.00 22.42 C ATOM 88 CG LYS A 10 4.474 10.644 11.778 1.00 10.11 C ATOM 89 CD LYS A 10 5.160 11.650 10.863 1.00 71.11 C ATOM 90 CE LYS A 10 6.651 11.378 10.689 1.00 32.05 C ATOM 91 NZ LYS A 10 6.965 10.070 10.025 1.00 44.51 N ATOM 0 H LYS A 10 0.592 11.334 12.487 1.00 14.22 H new ATOM 0 HA LYS A 10 2.357 9.003 12.373 1.00 41.41 H new ATOM 0 HB2 LYS A 10 2.546 11.085 10.964 1.00 22.42 H new ATOM 0 HB3 LYS A 10 2.933 11.982 12.419 1.00 22.42 H new ATOM 0 HG2 LYS A 10 4.968 10.631 12.750 1.00 10.11 H new ATOM 0 HG3 LYS A 10 4.566 9.641 11.360 1.00 10.11 H new ATOM 0 HD2 LYS A 10 4.677 11.633 9.886 1.00 71.11 H new ATOM 0 HD3 LYS A 10 5.024 12.653 11.268 1.00 71.11 H new ATOM 0 HE2 LYS A 10 7.090 12.185 10.102 1.00 32.05 H new ATOM 0 HE3 LYS A 10 7.129 11.399 11.668 1.00 32.05 H new ATOM 0 HZ1 LYS A 10 7.996 9.960 9.944 1.00 44.51 H new ATOM 0 HZ2 LYS A 10 6.578 9.290 10.594 1.00 44.51 H new ATOM 0 HZ3 LYS A 10 6.539 10.051 9.076 1.00 44.51 H new ATOM 105 N PRO A 11 3.321 8.948 14.725 1.00 74.35 N ATOM 106 CA PRO A 11 3.744 8.991 16.133 1.00 32.30 C ATOM 107 C PRO A 11 4.879 9.987 16.374 1.00 12.40 C ATOM 108 O PRO A 11 5.456 10.533 15.430 1.00 72.41 O ATOM 109 CB PRO A 11 4.199 7.550 16.385 1.00 41.31 C ATOM 110 CG PRO A 11 4.738 7.118 15.078 1.00 34.33 C ATOM 111 CD PRO A 11 3.759 7.691 14.084 1.00 55.51 C ATOM 0 HA PRO A 11 2.952 9.327 16.802 1.00 32.30 H new ATOM 0 HB2 PRO A 11 4.957 7.501 17.167 1.00 41.31 H new ATOM 0 HB3 PRO A 11 3.370 6.919 16.705 1.00 41.31 H new ATOM 0 HG2 PRO A 11 5.746 7.500 14.914 1.00 34.33 H new ATOM 0 HG3 PRO A 11 4.793 6.032 15.006 1.00 34.33 H new ATOM 0 HD2 PRO A 11 4.228 7.874 13.117 1.00 55.51 H new ATOM 0 HD3 PRO A 11 2.922 7.016 13.909 1.00 55.51 H new ATOM 119 N SER A 12 5.218 10.223 17.634 1.00 34.12 N ATOM 120 CA SER A 12 6.309 11.138 18.000 1.00 1.00 C ATOM 121 C SER A 12 7.583 10.395 18.392 1.00 53.11 C ATOM 122 O SER A 12 8.552 10.985 18.860 1.00 55.52 O ATOM 123 CB SER A 12 5.871 12.017 19.168 1.00 41.03 C ATOM 124 OG SER A 12 4.654 12.670 18.848 1.00 23.11 O ATOM 0 H SER A 12 4.752 9.792 18.433 1.00 34.12 H new ATOM 0 HA SER A 12 6.530 11.744 17.121 1.00 1.00 H new ATOM 0 HB2 SER A 12 5.744 11.410 20.064 1.00 41.03 H new ATOM 0 HB3 SER A 12 6.643 12.754 19.389 1.00 41.03 H new ATOM 0 HG SER A 12 4.376 13.232 19.602 1.00 23.11 H new ATOM 130 N THR A 13 7.568 9.084 18.219 1.00 31.41 N ATOM 131 CA THR A 13 8.631 8.208 18.701 1.00 15.44 C ATOM 132 C THR A 13 9.990 8.412 18.049 1.00 52.34 C ATOM 133 O THR A 13 11.018 8.275 18.704 1.00 3.42 O ATOM 134 CB THR A 13 8.205 6.766 18.418 1.00 43.40 C ATOM 135 OG1 THR A 13 7.626 6.733 17.108 1.00 42.15 O ATOM 136 CG2 THR A 13 7.123 6.323 19.381 1.00 53.33 C ATOM 0 H THR A 13 6.815 8.592 17.738 1.00 31.41 H new ATOM 0 HA THR A 13 8.758 8.441 19.758 1.00 15.44 H new ATOM 0 HB THR A 13 9.075 6.117 18.515 1.00 43.40 H new ATOM 0 HG1 THR A 13 7.344 5.818 16.898 1.00 42.15 H new ATOM 0 HG21 THR A 13 6.837 5.295 19.159 1.00 53.33 H new ATOM 0 HG22 THR A 13 7.498 6.383 20.403 1.00 53.33 H new ATOM 0 HG23 THR A 13 6.254 6.972 19.275 1.00 53.33 H new ATOM 144 N GLU A 14 10.017 8.763 16.772 1.00 60.00 N ATOM 145 CA GLU A 14 11.283 8.988 16.076 1.00 63.34 C ATOM 146 C GLU A 14 11.682 10.448 16.261 1.00 14.52 C ATOM 147 O GLU A 14 12.844 10.829 16.139 1.00 60.30 O ATOM 148 CB GLU A 14 11.134 8.682 14.581 1.00 21.24 C ATOM 149 CG GLU A 14 10.669 7.259 14.281 1.00 15.32 C ATOM 150 CD GLU A 14 10.507 7.006 12.792 1.00 22.44 C ATOM 151 OE1 GLU A 14 11.520 6.926 12.059 1.00 14.33 O ATOM 152 OE2 GLU A 14 9.353 6.860 12.327 1.00 61.44 O ATOM 0 H GLU A 14 9.186 8.898 16.197 1.00 60.00 H new ATOM 0 HA GLU A 14 12.048 8.329 16.488 1.00 63.34 H new ATOM 0 HB2 GLU A 14 10.423 9.385 14.146 1.00 21.24 H new ATOM 0 HB3 GLU A 14 12.092 8.852 14.089 1.00 21.24 H new ATOM 0 HG2 GLU A 14 11.388 6.550 14.691 1.00 15.32 H new ATOM 0 HG3 GLU A 14 9.719 7.076 14.784 1.00 15.32 H new ATOM 159 N ASP A 15 10.686 11.281 16.526 1.00 1.55 N ATOM 160 CA ASP A 15 10.875 12.728 16.616 1.00 63.40 C ATOM 161 C ASP A 15 11.414 13.231 17.956 1.00 13.15 C ATOM 162 O ASP A 15 12.137 14.235 18.005 1.00 11.13 O ATOM 163 CB ASP A 15 9.540 13.418 16.363 1.00 10.12 C ATOM 164 CG ASP A 15 9.703 14.901 16.129 1.00 50.15 C ATOM 165 OD1 ASP A 15 10.315 15.300 15.109 1.00 65.32 O ATOM 166 OD2 ASP A 15 9.212 15.694 16.958 1.00 55.51 O ATOM 0 H ASP A 15 9.725 10.977 16.685 1.00 1.55 H new ATOM 0 HA ASP A 15 11.629 12.968 15.867 1.00 63.40 H new ATOM 0 HB2 ASP A 15 9.057 12.966 15.497 1.00 10.12 H new ATOM 0 HB3 ASP A 15 8.881 13.256 17.216 1.00 10.12 H new ATOM 171 N LEU A 16 11.064 12.554 19.041 1.00 44.53 N ATOM 172 CA LEU A 16 11.534 12.933 20.377 1.00 50.24 C ATOM 173 C LEU A 16 13.045 12.713 20.485 1.00 32.13 C ATOM 174 O LEU A 16 13.596 11.842 19.805 1.00 61.31 O ATOM 175 CB LEU A 16 10.751 12.159 21.453 1.00 60.55 C ATOM 176 CG LEU A 16 10.920 10.636 21.622 1.00 74.50 C ATOM 177 CD1 LEU A 16 12.092 10.258 22.530 1.00 2.14 C ATOM 178 CD2 LEU A 16 9.649 10.029 22.211 1.00 70.32 C ATOM 0 H LEU A 16 10.454 11.736 19.027 1.00 44.53 H new ATOM 0 HA LEU A 16 11.349 13.994 20.543 1.00 50.24 H new ATOM 0 HB2 LEU A 16 10.994 12.615 22.413 1.00 60.55 H new ATOM 0 HB3 LEU A 16 9.692 12.344 21.271 1.00 60.55 H new ATOM 0 HG LEU A 16 11.122 10.243 20.626 1.00 74.50 H new ATOM 0 HD11 LEU A 16 12.157 9.173 22.608 1.00 2.14 H new ATOM 0 HD12 LEU A 16 13.019 10.648 22.109 1.00 2.14 H new ATOM 0 HD13 LEU A 16 11.937 10.684 23.521 1.00 2.14 H new ATOM 0 HD21 LEU A 16 9.779 8.953 22.326 1.00 70.32 H new ATOM 0 HD22 LEU A 16 9.449 10.477 23.185 1.00 70.32 H new ATOM 0 HD23 LEU A 16 8.810 10.223 21.543 1.00 70.32 H new ATOM 190 N GLY A 17 13.717 13.505 21.311 1.00 51.53 N ATOM 191 CA GLY A 17 15.167 13.432 21.441 1.00 71.04 C ATOM 192 C GLY A 17 15.679 13.048 22.817 1.00 70.12 C ATOM 193 O GLY A 17 16.832 12.637 22.968 1.00 41.31 O ATOM 0 H GLY A 17 13.278 14.209 21.904 1.00 51.53 H new ATOM 0 HA2 GLY A 17 15.544 12.709 20.717 1.00 71.04 H new ATOM 0 HA3 GLY A 17 15.588 14.401 21.173 1.00 71.04 H new ATOM 197 N ASP A 18 14.840 13.159 23.835 1.00 72.32 N ATOM 198 CA ASP A 18 15.256 12.937 25.227 1.00 20.40 C ATOM 199 C ASP A 18 15.202 11.490 25.718 1.00 33.42 C ATOM 200 O ASP A 18 15.457 11.229 26.897 1.00 3.23 O ATOM 201 CB ASP A 18 14.375 13.767 26.168 1.00 25.03 C ATOM 202 CG ASP A 18 12.987 13.165 26.368 1.00 74.04 C ATOM 203 OD1 ASP A 18 12.426 12.546 25.435 1.00 34.13 O ATOM 204 OD2 ASP A 18 12.453 13.259 27.496 1.00 72.44 O ATOM 0 H ASP A 18 13.855 13.404 23.730 1.00 72.32 H new ATOM 0 HA ASP A 18 16.304 13.235 25.241 1.00 20.40 H new ATOM 0 HB2 ASP A 18 14.869 13.857 27.135 1.00 25.03 H new ATOM 0 HB3 ASP A 18 14.274 14.776 25.767 1.00 25.03 H new ATOM 209 N LYS A 19 14.806 10.569 24.843 1.00 15.34 N ATOM 210 CA LYS A 19 14.602 9.148 25.182 1.00 63.23 C ATOM 211 C LYS A 19 13.658 8.973 26.371 1.00 60.43 C ATOM 212 O LYS A 19 13.853 8.080 27.192 1.00 64.50 O ATOM 213 CB LYS A 19 15.942 8.436 25.442 1.00 13.51 C ATOM 214 CG LYS A 19 16.834 8.374 24.221 1.00 4.55 C ATOM 215 CD LYS A 19 18.159 7.687 24.522 1.00 3.01 C ATOM 216 CE LYS A 19 18.981 7.515 23.249 1.00 71.42 C ATOM 217 NZ LYS A 19 19.309 8.827 22.605 1.00 42.51 N ATOM 0 H LYS A 19 14.613 10.783 23.865 1.00 15.34 H new ATOM 0 HA LYS A 19 14.130 8.682 24.317 1.00 63.23 H new ATOM 0 HB2 LYS A 19 16.470 8.952 26.243 1.00 13.51 H new ATOM 0 HB3 LYS A 19 15.745 7.422 25.791 1.00 13.51 H new ATOM 0 HG2 LYS A 19 16.320 7.839 23.423 1.00 4.55 H new ATOM 0 HG3 LYS A 19 17.023 9.384 23.857 1.00 4.55 H new ATOM 0 HD2 LYS A 19 18.722 8.275 25.247 1.00 3.01 H new ATOM 0 HD3 LYS A 19 17.974 6.713 24.975 1.00 3.01 H new ATOM 0 HE2 LYS A 19 19.905 6.987 23.484 1.00 71.42 H new ATOM 0 HE3 LYS A 19 18.429 6.894 22.543 1.00 71.42 H new ATOM 0 HZ1 LYS A 19 18.814 8.900 21.693 1.00 42.51 H new ATOM 0 HZ2 LYS A 19 19.006 9.604 23.226 1.00 42.51 H new ATOM 0 HZ3 LYS A 19 20.335 8.889 22.447 1.00 42.51 H new ATOM 231 N LYS A 20 12.666 9.853 26.480 1.00 71.34 N ATOM 232 CA LYS A 20 11.707 9.881 27.594 1.00 11.32 C ATOM 233 C LYS A 20 12.424 9.925 28.943 1.00 70.41 C ATOM 234 O LYS A 20 12.245 9.059 29.800 1.00 4.51 O ATOM 235 CB LYS A 20 10.713 8.718 27.522 1.00 72.23 C ATOM 236 CG LYS A 20 9.903 8.650 26.242 1.00 61.22 C ATOM 237 CD LYS A 20 8.852 7.563 26.381 1.00 45.01 C ATOM 238 CE LYS A 20 8.061 7.385 25.100 1.00 4.45 C ATOM 239 NZ LYS A 20 7.004 6.340 25.291 1.00 2.00 N ATOM 0 H LYS A 20 12.498 10.582 25.787 1.00 71.34 H new ATOM 0 HA LYS A 20 11.128 10.800 27.499 1.00 11.32 H new ATOM 0 HB2 LYS A 20 11.261 7.783 27.638 1.00 72.23 H new ATOM 0 HB3 LYS A 20 10.027 8.793 28.366 1.00 72.23 H new ATOM 0 HG2 LYS A 20 9.427 9.611 26.046 1.00 61.22 H new ATOM 0 HG3 LYS A 20 10.555 8.438 25.395 1.00 61.22 H new ATOM 0 HD2 LYS A 20 9.334 6.622 26.646 1.00 45.01 H new ATOM 0 HD3 LYS A 20 8.174 7.814 27.196 1.00 45.01 H new ATOM 0 HE2 LYS A 20 7.601 8.331 24.812 1.00 4.45 H new ATOM 0 HE3 LYS A 20 8.728 7.095 24.288 1.00 4.45 H new ATOM 0 HZ1 LYS A 20 6.467 6.224 24.408 1.00 2.00 H new ATOM 0 HZ2 LYS A 20 7.451 5.436 25.545 1.00 2.00 H new ATOM 0 HZ3 LYS A 20 6.359 6.633 26.053 1.00 2.00 H new ATOM 253 N GLU A 21 13.265 10.941 29.084 1.00 32.21 N ATOM 254 CA GLU A 21 14.097 11.202 30.267 1.00 42.44 C ATOM 255 C GLU A 21 15.045 10.040 30.612 1.00 52.12 C ATOM 256 O GLU A 21 15.401 9.825 31.776 1.00 52.13 O ATOM 257 CB GLU A 21 13.214 11.596 31.467 1.00 23.11 C ATOM 258 CG GLU A 21 12.268 12.766 31.182 1.00 23.51 C ATOM 259 CD GLU A 21 11.419 13.153 32.386 1.00 4.45 C ATOM 260 OE1 GLU A 21 10.586 12.340 32.858 1.00 50.12 O ATOM 261 OE2 GLU A 21 11.554 14.306 32.863 1.00 40.04 O ATOM 0 H GLU A 21 13.397 11.638 28.351 1.00 32.21 H new ATOM 0 HA GLU A 21 14.746 12.042 30.021 1.00 42.44 H new ATOM 0 HB2 GLU A 21 12.625 10.731 31.772 1.00 23.11 H new ATOM 0 HB3 GLU A 21 13.856 11.857 32.308 1.00 23.11 H new ATOM 0 HG2 GLU A 21 12.853 13.629 30.864 1.00 23.51 H new ATOM 0 HG3 GLU A 21 11.612 12.502 30.352 1.00 23.51 H new ATOM 268 N GLY A 22 15.442 9.280 29.597 1.00 53.23 N ATOM 269 CA GLY A 22 16.301 8.118 29.786 1.00 3.33 C ATOM 270 C GLY A 22 17.789 8.422 29.802 1.00 13.52 C ATOM 271 O GLY A 22 18.206 9.541 29.490 1.00 5.10 O ATOM 0 H GLY A 22 15.179 9.451 28.626 1.00 53.23 H new ATOM 0 HA2 GLY A 22 16.033 7.635 30.725 1.00 3.33 H new ATOM 0 HA3 GLY A 22 16.099 7.401 28.990 1.00 3.33 H new ATOM 275 N GLU A 23 18.603 7.449 30.185 1.00 71.25 N ATOM 276 CA GLU A 23 20.059 7.622 30.244 1.00 24.32 C ATOM 277 C GLU A 23 20.703 7.592 28.854 1.00 43.02 C ATOM 278 O GLU A 23 20.146 6.997 27.927 1.00 62.33 O ATOM 279 CB GLU A 23 20.699 6.545 31.141 1.00 42.14 C ATOM 280 CG GLU A 23 20.820 5.110 30.581 1.00 60.23 C ATOM 281 CD GLU A 23 19.492 4.397 30.337 1.00 32.14 C ATOM 282 OE1 GLU A 23 18.515 4.613 31.096 1.00 13.33 O ATOM 283 OE2 GLU A 23 19.413 3.573 29.391 1.00 73.00 O ATOM 0 H GLU A 23 18.282 6.521 30.463 1.00 71.25 H new ATOM 0 HA GLU A 23 20.243 8.607 30.674 1.00 24.32 H new ATOM 0 HB2 GLU A 23 21.700 6.885 31.407 1.00 42.14 H new ATOM 0 HB3 GLU A 23 20.123 6.495 32.065 1.00 42.14 H new ATOM 0 HG2 GLU A 23 21.372 5.148 29.642 1.00 60.23 H new ATOM 0 HG3 GLU A 23 21.413 4.514 31.275 1.00 60.23 H new ATOM 290 N TYR A 24 21.882 8.181 28.706 1.00 24.24 N ATOM 291 CA TYR A 24 22.632 8.103 27.450 1.00 50.44 C ATOM 292 C TYR A 24 24.131 8.146 27.736 1.00 24.12 C ATOM 293 O TYR A 24 24.547 8.585 28.809 1.00 72.43 O ATOM 294 CB TYR A 24 22.230 9.246 26.514 1.00 64.13 C ATOM 295 CG TYR A 24 22.418 10.637 27.087 1.00 15.42 C ATOM 296 CD1 TYR A 24 21.383 11.273 27.805 1.00 42.23 C ATOM 297 CD2 TYR A 24 23.621 11.343 26.885 1.00 43.24 C ATOM 298 CE1 TYR A 24 21.550 12.594 28.309 1.00 13.40 C ATOM 299 CE2 TYR A 24 23.786 12.663 27.375 1.00 75.35 C ATOM 300 CZ TYR A 24 22.748 13.275 28.082 1.00 21.34 C ATOM 301 OH TYR A 24 22.932 14.557 28.534 1.00 41.23 O ATOM 0 H TYR A 24 22.344 8.720 29.439 1.00 24.24 H new ATOM 0 HA TYR A 24 22.396 7.160 26.957 1.00 50.44 H new ATOM 0 HB2 TYR A 24 22.812 9.166 25.596 1.00 64.13 H new ATOM 0 HB3 TYR A 24 21.183 9.120 26.240 1.00 64.13 H new ATOM 0 HD1 TYR A 24 20.453 10.751 27.974 1.00 42.23 H new ATOM 0 HD2 TYR A 24 24.430 10.871 26.348 1.00 43.24 H new ATOM 0 HE1 TYR A 24 20.754 13.067 28.864 1.00 13.40 H new ATOM 0 HE2 TYR A 24 24.711 13.194 27.202 1.00 75.35 H new ATOM 0 HH TYR A 24 23.827 14.867 28.283 1.00 41.23 H new ATOM 311 N ILE A 25 24.947 7.659 26.813 1.00 20.25 N ATOM 312 CA ILE A 25 26.395 7.604 27.024 1.00 11.23 C ATOM 313 C ILE A 25 27.012 9.012 26.964 1.00 61.10 C ATOM 314 O ILE A 25 26.582 9.848 26.167 1.00 50.33 O ATOM 315 CB ILE A 25 27.027 6.614 25.993 1.00 1.00 C ATOM 316 CG1 ILE A 25 28.374 6.103 26.514 1.00 51.21 C ATOM 317 CG2 ILE A 25 27.155 7.222 24.581 1.00 33.32 C ATOM 318 CD1 ILE A 25 28.977 4.950 25.746 1.00 42.31 C ATOM 0 H ILE A 25 24.637 7.296 25.912 1.00 20.25 H new ATOM 0 HA ILE A 25 26.612 7.226 28.023 1.00 11.23 H new ATOM 0 HB ILE A 25 26.347 5.768 25.890 1.00 1.00 H new ATOM 0 HG12 ILE A 25 29.083 6.931 26.508 1.00 51.21 H new ATOM 0 HG13 ILE A 25 28.249 5.798 27.553 1.00 51.21 H new ATOM 0 HG21 ILE A 25 27.600 6.489 23.908 1.00 33.32 H new ATOM 0 HG22 ILE A 25 26.167 7.499 24.213 1.00 33.32 H new ATOM 0 HG23 ILE A 25 27.788 8.108 24.622 1.00 33.32 H new ATOM 0 HD11 ILE A 25 29.927 4.668 26.199 1.00 42.31 H new ATOM 0 HD12 ILE A 25 28.296 4.099 25.773 1.00 42.31 H new ATOM 0 HD13 ILE A 25 29.143 5.249 24.711 1.00 42.31 H new ATOM 330 N LYS A 26 28.021 9.293 27.784 1.00 35.34 N ATOM 331 CA LYS A 26 28.710 10.598 27.771 1.00 12.45 C ATOM 332 C LYS A 26 30.208 10.459 27.505 1.00 63.42 C ATOM 333 O LYS A 26 30.961 11.429 27.582 1.00 21.35 O ATOM 334 CB LYS A 26 28.463 11.360 29.080 1.00 71.01 C ATOM 335 CG LYS A 26 26.995 11.705 29.316 1.00 54.42 C ATOM 336 CD LYS A 26 26.819 12.639 30.509 1.00 52.21 C ATOM 337 CE LYS A 26 25.342 12.933 30.754 1.00 30.30 C ATOM 338 NZ LYS A 26 25.102 13.999 31.785 1.00 20.42 N ATOM 0 H LYS A 26 28.388 8.636 28.473 1.00 35.34 H new ATOM 0 HA LYS A 26 28.287 11.172 26.946 1.00 12.45 H new ATOM 0 HB2 LYS A 26 28.826 10.760 29.914 1.00 71.01 H new ATOM 0 HB3 LYS A 26 29.047 12.280 29.071 1.00 71.01 H new ATOM 0 HG2 LYS A 26 26.583 12.175 28.423 1.00 54.42 H new ATOM 0 HG3 LYS A 26 26.429 10.789 29.484 1.00 54.42 H new ATOM 0 HD2 LYS A 26 27.257 12.186 31.399 1.00 52.21 H new ATOM 0 HD3 LYS A 26 27.355 13.571 30.329 1.00 52.21 H new ATOM 0 HE2 LYS A 26 24.881 13.238 29.815 1.00 30.30 H new ATOM 0 HE3 LYS A 26 24.845 12.016 31.070 1.00 30.30 H new ATOM 0 HZ1 LYS A 26 24.079 14.147 31.900 1.00 20.42 H new ATOM 0 HZ2 LYS A 26 25.513 13.703 32.693 1.00 20.42 H new ATOM 0 HZ3 LYS A 26 25.547 14.887 31.477 1.00 20.42 H new ATOM 352 N LEU A 27 30.622 9.238 27.204 1.00 61.11 N ATOM 353 CA LEU A 27 32.007 8.886 26.886 1.00 15.22 C ATOM 354 C LEU A 27 32.495 9.668 25.665 1.00 42.24 C ATOM 355 O LEU A 27 31.785 9.735 24.656 1.00 34.33 O ATOM 356 CB LEU A 27 32.017 7.377 26.591 1.00 13.53 C ATOM 357 CG LEU A 27 33.265 6.516 26.334 1.00 72.34 C ATOM 358 CD1 LEU A 27 32.808 5.060 26.207 1.00 31.34 C ATOM 359 CD2 LEU A 27 34.047 6.866 25.076 1.00 70.23 C ATOM 0 H LEU A 27 29.990 8.438 27.172 1.00 61.11 H new ATOM 0 HA LEU A 27 32.672 9.132 27.714 1.00 15.22 H new ATOM 0 HB2 LEU A 27 31.504 6.909 27.431 1.00 13.53 H new ATOM 0 HB3 LEU A 27 31.382 7.244 25.715 1.00 13.53 H new ATOM 0 HG LEU A 27 33.938 6.698 27.172 1.00 72.34 H new ATOM 0 HD11 LEU A 27 33.673 4.422 26.024 1.00 31.34 H new ATOM 0 HD12 LEU A 27 32.318 4.751 27.130 1.00 31.34 H new ATOM 0 HD13 LEU A 27 32.108 4.970 25.377 1.00 31.34 H new ATOM 0 HD21 LEU A 27 34.907 6.202 24.986 1.00 70.23 H new ATOM 0 HD22 LEU A 27 33.404 6.748 24.204 1.00 70.23 H new ATOM 0 HD23 LEU A 27 34.390 7.899 25.137 1.00 70.23 H new ATOM 371 N LYS A 28 33.703 10.217 25.724 1.00 11.31 N ATOM 372 CA LYS A 28 34.316 10.887 24.569 1.00 14.24 C ATOM 373 C LYS A 28 35.543 10.111 24.098 1.00 32.13 C ATOM 374 O LYS A 28 36.443 9.825 24.888 1.00 73.23 O ATOM 375 CB LYS A 28 34.735 12.312 24.945 1.00 24.15 C ATOM 376 CG LYS A 28 33.575 13.219 25.373 1.00 51.43 C ATOM 377 CD LYS A 28 34.002 14.662 25.671 1.00 22.42 C ATOM 378 CE LYS A 28 34.916 14.753 26.892 1.00 31.31 C ATOM 379 NZ LYS A 28 35.293 16.145 27.285 1.00 1.31 N ATOM 0 H LYS A 28 34.285 10.214 26.562 1.00 11.31 H new ATOM 0 HA LYS A 28 33.581 10.925 23.765 1.00 14.24 H new ATOM 0 HB2 LYS A 28 35.461 12.262 25.757 1.00 24.15 H new ATOM 0 HB3 LYS A 28 35.241 12.766 24.093 1.00 24.15 H new ATOM 0 HG2 LYS A 28 32.821 13.227 24.586 1.00 51.43 H new ATOM 0 HG3 LYS A 28 33.104 12.798 26.261 1.00 51.43 H new ATOM 0 HD2 LYS A 28 34.517 15.073 24.803 1.00 22.42 H new ATOM 0 HD3 LYS A 28 33.116 15.275 25.836 1.00 22.42 H new ATOM 0 HE2 LYS A 28 34.421 14.273 27.736 1.00 31.31 H new ATOM 0 HE3 LYS A 28 35.826 14.187 26.691 1.00 31.31 H new ATOM 0 HZ1 LYS A 28 35.912 16.114 28.120 1.00 1.31 H new ATOM 0 HZ2 LYS A 28 35.795 16.604 26.498 1.00 1.31 H new ATOM 0 HZ3 LYS A 28 34.434 16.687 27.511 1.00 1.31 H new ATOM 393 N VAL A 29 35.593 9.786 22.813 1.00 64.00 N ATOM 394 CA VAL A 29 36.774 9.152 22.222 1.00 13.13 C ATOM 395 C VAL A 29 37.518 10.209 21.424 1.00 54.11 C ATOM 396 O VAL A 29 36.964 10.836 20.514 1.00 71.12 O ATOM 397 CB VAL A 29 36.464 7.911 21.343 1.00 64.54 C ATOM 398 CG1 VAL A 29 36.597 6.643 22.172 1.00 60.23 C ATOM 399 CG2 VAL A 29 35.067 7.978 20.720 1.00 25.41 C ATOM 0 H VAL A 29 34.831 9.949 22.155 1.00 64.00 H new ATOM 0 HA VAL A 29 37.385 8.763 23.036 1.00 13.13 H new ATOM 0 HB VAL A 29 37.187 7.900 20.528 1.00 64.54 H new ATOM 0 HG11 VAL A 29 36.378 5.776 21.549 1.00 60.23 H new ATOM 0 HG12 VAL A 29 37.614 6.565 22.557 1.00 60.23 H new ATOM 0 HG13 VAL A 29 35.895 6.678 23.005 1.00 60.23 H new ATOM 0 HG21 VAL A 29 34.896 7.088 20.114 1.00 25.41 H new ATOM 0 HG22 VAL A 29 34.318 8.028 21.510 1.00 25.41 H new ATOM 0 HG23 VAL A 29 34.991 8.865 20.091 1.00 25.41 H new ATOM 409 N ILE A 30 38.752 10.451 21.840 1.00 62.05 N ATOM 410 CA ILE A 30 39.566 11.559 21.347 1.00 45.24 C ATOM 411 C ILE A 30 40.945 10.995 21.016 1.00 14.31 C ATOM 412 O ILE A 30 41.782 10.800 21.895 1.00 31.25 O ATOM 413 CB ILE A 30 39.714 12.700 22.413 1.00 70.31 C ATOM 414 CG1 ILE A 30 38.341 13.143 22.961 1.00 63.45 C ATOM 415 CG2 ILE A 30 40.474 13.915 21.805 1.00 74.45 C ATOM 416 CD1 ILE A 30 38.400 13.996 24.223 1.00 5.42 C ATOM 0 H ILE A 30 39.225 9.878 22.538 1.00 62.05 H new ATOM 0 HA ILE A 30 39.085 11.997 20.473 1.00 45.24 H new ATOM 0 HB ILE A 30 40.292 12.303 23.247 1.00 70.31 H new ATOM 0 HG12 ILE A 30 37.820 13.703 22.185 1.00 63.45 H new ATOM 0 HG13 ILE A 30 37.744 12.254 23.168 1.00 63.45 H new ATOM 0 HG21 ILE A 30 40.569 14.698 22.557 1.00 74.45 H new ATOM 0 HG22 ILE A 30 41.466 13.599 21.483 1.00 74.45 H new ATOM 0 HG23 ILE A 30 39.920 14.299 20.949 1.00 74.45 H new ATOM 0 HD11 ILE A 30 37.388 14.258 24.532 1.00 5.42 H new ATOM 0 HD12 ILE A 30 38.889 13.434 25.019 1.00 5.42 H new ATOM 0 HD13 ILE A 30 38.965 14.906 24.021 1.00 5.42 H new ATOM 428 N GLY A 31 41.175 10.689 19.750 1.00 22.34 N ATOM 429 CA GLY A 31 42.479 10.219 19.313 1.00 61.42 C ATOM 430 C GLY A 31 43.341 11.382 18.864 1.00 62.03 C ATOM 431 O GLY A 31 43.055 12.536 19.183 1.00 63.15 O ATOM 0 H GLY A 31 40.478 10.757 19.009 1.00 22.34 H new ATOM 0 HA2 GLY A 31 42.972 9.687 20.127 1.00 61.42 H new ATOM 0 HA3 GLY A 31 42.360 9.509 18.494 1.00 61.42 H new ATOM 435 N GLN A 32 44.329 11.098 18.026 1.00 21.32 N ATOM 436 CA GLN A 32 45.198 12.119 17.437 1.00 4.20 C ATOM 437 C GLN A 32 44.425 13.056 16.504 1.00 21.03 C ATOM 438 O GLN A 32 44.894 14.148 16.183 1.00 14.03 O ATOM 439 CB GLN A 32 46.326 11.449 16.643 1.00 42.04 C ATOM 440 CG GLN A 32 47.283 10.598 17.474 1.00 75.43 C ATOM 441 CD GLN A 32 48.075 11.407 18.480 1.00 53.11 C ATOM 442 OE1 GLN A 32 48.681 12.423 18.154 1.00 53.34 O ATOM 443 NE2 GLN A 32 48.067 10.978 19.709 1.00 4.10 N ATOM 0 H GLN A 32 44.555 10.148 17.731 1.00 21.32 H new ATOM 0 HA GLN A 32 45.608 12.710 18.256 1.00 4.20 H new ATOM 0 HB2 GLN A 32 45.883 10.821 15.870 1.00 42.04 H new ATOM 0 HB3 GLN A 32 46.901 12.223 16.134 1.00 42.04 H new ATOM 0 HG2 GLN A 32 46.715 9.831 18.000 1.00 75.43 H new ATOM 0 HG3 GLN A 32 47.974 10.082 16.807 1.00 75.43 H new ATOM 0 HE21 GLN A 32 47.554 10.130 19.950 1.00 4.10 H new ATOM 0 HE22 GLN A 32 48.574 11.490 20.431 1.00 4.10 H new ATOM 452 N ASP A 33 43.211 12.668 16.134 1.00 21.32 N ATOM 453 CA ASP A 33 42.269 13.550 15.430 1.00 23.22 C ATOM 454 C ASP A 33 41.938 14.812 16.222 1.00 23.21 C ATOM 455 O ASP A 33 41.584 15.833 15.628 1.00 72.01 O ATOM 456 CB ASP A 33 40.945 12.831 15.165 1.00 74.22 C ATOM 457 CG ASP A 33 41.072 11.759 14.115 1.00 10.14 C ATOM 458 OD1 ASP A 33 41.208 12.076 12.912 1.00 30.32 O ATOM 459 OD2 ASP A 33 41.081 10.571 14.495 1.00 65.51 O ATOM 0 H ASP A 33 42.845 11.733 16.311 1.00 21.32 H new ATOM 0 HA ASP A 33 42.767 13.824 14.500 1.00 23.22 H new ATOM 0 HB2 ASP A 33 40.585 12.386 16.093 1.00 74.22 H new ATOM 0 HB3 ASP A 33 40.197 13.558 14.849 1.00 74.22 H new ATOM 464 N SER A 34 42.086 14.742 17.541 1.00 13.20 N ATOM 465 CA SER A 34 41.896 15.877 18.449 1.00 23.21 C ATOM 466 C SER A 34 40.525 16.542 18.310 1.00 40.13 C ATOM 467 O SER A 34 40.405 17.769 18.224 1.00 20.04 O ATOM 468 CB SER A 34 43.037 16.878 18.255 1.00 52.21 C ATOM 469 OG SER A 34 44.271 16.173 18.236 1.00 72.34 O ATOM 0 H SER A 34 42.346 13.881 18.022 1.00 13.20 H new ATOM 0 HA SER A 34 41.921 15.494 19.469 1.00 23.21 H new ATOM 0 HB2 SER A 34 42.902 17.427 17.323 1.00 52.21 H new ATOM 0 HB3 SER A 34 43.035 17.612 19.060 1.00 52.21 H new ATOM 0 HG SER A 34 44.347 15.670 17.399 1.00 72.34 H new ATOM 475 N SER A 35 39.494 15.710 18.271 1.00 41.54 N ATOM 476 CA SER A 35 38.106 16.148 18.154 1.00 52.21 C ATOM 477 C SER A 35 37.306 15.320 19.153 1.00 12.33 C ATOM 478 O SER A 35 37.697 14.201 19.479 1.00 42.21 O ATOM 479 CB SER A 35 37.607 15.941 16.721 1.00 65.24 C ATOM 480 OG SER A 35 37.723 14.581 16.321 1.00 25.43 O ATOM 0 H SER A 35 39.597 14.696 18.320 1.00 41.54 H new ATOM 0 HA SER A 35 37.997 17.211 18.371 1.00 52.21 H new ATOM 0 HB2 SER A 35 36.566 16.255 16.648 1.00 65.24 H new ATOM 0 HB3 SER A 35 38.179 16.572 16.041 1.00 65.24 H new ATOM 0 HG SER A 35 37.395 14.481 15.403 1.00 25.43 H new ATOM 486 N GLU A 36 36.221 15.880 19.671 1.00 65.32 N ATOM 487 CA GLU A 36 35.482 15.302 20.802 1.00 24.42 C ATOM 488 C GLU A 36 34.128 14.752 20.372 1.00 44.34 C ATOM 489 O GLU A 36 33.179 14.703 21.152 1.00 22.54 O ATOM 490 CB GLU A 36 35.271 16.358 21.894 1.00 71.23 C ATOM 491 CG GLU A 36 36.552 16.928 22.467 1.00 64.43 C ATOM 492 CD GLU A 36 36.291 17.764 23.707 1.00 14.22 C ATOM 493 OE1 GLU A 36 35.965 18.969 23.585 1.00 1.32 O ATOM 494 OE2 GLU A 36 36.416 17.238 24.834 1.00 54.44 O ATOM 0 H GLU A 36 35.822 16.751 19.322 1.00 65.32 H new ATOM 0 HA GLU A 36 36.080 14.478 21.191 1.00 24.42 H new ATOM 0 HB2 GLU A 36 34.676 17.174 21.484 1.00 71.23 H new ATOM 0 HB3 GLU A 36 34.690 15.916 22.703 1.00 71.23 H new ATOM 0 HG2 GLU A 36 37.234 16.114 22.714 1.00 64.43 H new ATOM 0 HG3 GLU A 36 37.047 17.540 21.713 1.00 64.43 H new ATOM 501 N ILE A 37 34.037 14.375 19.106 1.00 41.11 N ATOM 502 CA ILE A 37 32.780 13.929 18.501 1.00 75.20 C ATOM 503 C ILE A 37 32.224 12.726 19.274 1.00 54.34 C ATOM 504 O ILE A 37 32.899 11.700 19.415 1.00 22.41 O ATOM 505 CB ILE A 37 32.994 13.557 16.999 1.00 71.43 C ATOM 506 CG1 ILE A 37 33.547 14.769 16.217 1.00 35.24 C ATOM 507 CG2 ILE A 37 31.684 13.038 16.358 1.00 62.51 C ATOM 508 CD1 ILE A 37 34.103 14.450 14.822 1.00 10.14 C ATOM 0 H ILE A 37 34.830 14.368 18.464 1.00 41.11 H new ATOM 0 HA ILE A 37 32.060 14.746 18.552 1.00 75.20 H new ATOM 0 HB ILE A 37 33.727 12.751 16.951 1.00 71.43 H new ATOM 0 HG12 ILE A 37 32.752 15.507 16.113 1.00 35.24 H new ATOM 0 HG13 ILE A 37 34.337 15.232 16.808 1.00 35.24 H new ATOM 0 HG21 ILE A 37 31.865 12.787 15.313 1.00 62.51 H new ATOM 0 HG22 ILE A 37 31.345 12.150 16.891 1.00 62.51 H new ATOM 0 HG23 ILE A 37 30.918 13.811 16.418 1.00 62.51 H new ATOM 0 HD11 ILE A 37 34.466 15.366 14.357 1.00 10.14 H new ATOM 0 HD12 ILE A 37 34.924 13.739 14.911 1.00 10.14 H new ATOM 0 HD13 ILE A 37 33.314 14.018 14.206 1.00 10.14 H new ATOM 520 N HIS A 38 31.010 12.858 19.800 1.00 52.23 N ATOM 521 CA HIS A 38 30.321 11.765 20.496 1.00 22.23 C ATOM 522 C HIS A 38 28.810 11.971 20.418 1.00 72.32 C ATOM 523 O HIS A 38 28.352 13.102 20.246 1.00 10.20 O ATOM 524 CB HIS A 38 30.798 11.645 21.954 1.00 30.14 C ATOM 525 CG HIS A 38 30.417 12.795 22.834 1.00 72.02 C ATOM 526 ND1 HIS A 38 30.926 14.082 22.700 1.00 54.14 N ATOM 527 CD2 HIS A 38 29.597 12.860 23.912 1.00 64.34 C ATOM 528 CE1 HIS A 38 30.394 14.860 23.630 1.00 71.11 C ATOM 529 NE2 HIS A 38 29.592 14.142 24.377 1.00 73.23 N ATOM 0 H HIS A 38 30.472 13.724 19.758 1.00 52.23 H new ATOM 0 HA HIS A 38 30.567 10.825 20.001 1.00 22.23 H new ATOM 0 HB2 HIS A 38 30.391 10.728 22.381 1.00 30.14 H new ATOM 0 HB3 HIS A 38 31.883 11.545 21.960 1.00 30.14 H new ATOM 0 HD1 HIS A 38 31.602 14.380 21.997 1.00 54.14 H new ATOM 0 HD2 HIS A 38 29.041 12.035 24.332 1.00 64.34 H new ATOM 0 HE1 HIS A 38 30.589 15.915 23.753 1.00 71.11 H new ATOM 538 N PHE A 39 28.043 10.895 20.500 1.00 1.53 N ATOM 539 CA PHE A 39 26.597 10.918 20.265 1.00 42.42 C ATOM 540 C PHE A 39 25.865 10.269 21.438 1.00 14.41 C ATOM 541 O PHE A 39 26.463 9.477 22.166 1.00 61.25 O ATOM 542 CB PHE A 39 26.307 10.154 18.972 1.00 3.33 C ATOM 543 CG PHE A 39 27.039 10.700 17.772 1.00 33.33 C ATOM 544 CD1 PHE A 39 26.517 11.793 17.063 1.00 54.02 C ATOM 545 CD2 PHE A 39 28.252 10.129 17.343 1.00 60.21 C ATOM 546 CE1 PHE A 39 27.187 12.311 15.929 1.00 3.40 C ATOM 547 CE2 PHE A 39 28.929 10.623 16.202 1.00 62.32 C ATOM 548 CZ PHE A 39 28.392 11.718 15.491 1.00 41.13 C ATOM 0 H PHE A 39 28.404 9.970 20.733 1.00 1.53 H new ATOM 0 HA PHE A 39 26.249 11.947 20.174 1.00 42.42 H new ATOM 0 HB2 PHE A 39 26.580 9.108 19.109 1.00 3.33 H new ATOM 0 HB3 PHE A 39 25.235 10.181 18.777 1.00 3.33 H new ATOM 0 HD1 PHE A 39 25.591 12.245 17.387 1.00 54.02 H new ATOM 0 HD2 PHE A 39 28.673 9.301 17.893 1.00 60.21 H new ATOM 0 HE1 PHE A 39 26.778 13.158 15.399 1.00 3.40 H new ATOM 0 HE2 PHE A 39 29.851 10.165 15.877 1.00 62.32 H new ATOM 0 HZ PHE A 39 28.899 12.100 14.617 1.00 41.13 H new ATOM 558 N LYS A 40 24.599 10.605 21.657 1.00 44.32 N ATOM 559 CA LYS A 40 23.840 10.148 22.835 1.00 42.31 C ATOM 560 C LYS A 40 23.260 8.736 22.729 1.00 43.24 C ATOM 561 O LYS A 40 22.125 8.493 23.126 1.00 21.24 O ATOM 562 CB LYS A 40 22.688 11.119 23.136 1.00 71.50 C ATOM 563 CG LYS A 40 23.104 12.526 23.516 1.00 44.11 C ATOM 564 CD LYS A 40 21.893 13.252 24.090 1.00 10.54 C ATOM 565 CE LYS A 40 22.240 14.659 24.527 1.00 65.51 C ATOM 566 NZ LYS A 40 21.071 15.351 25.155 1.00 21.23 N ATOM 0 H LYS A 40 24.062 11.202 21.028 1.00 44.32 H new ATOM 0 HA LYS A 40 24.575 10.125 23.640 1.00 42.31 H new ATOM 0 HB2 LYS A 40 22.043 11.174 22.259 1.00 71.50 H new ATOM 0 HB3 LYS A 40 22.089 10.704 23.947 1.00 71.50 H new ATOM 0 HG2 LYS A 40 23.910 12.497 24.249 1.00 44.11 H new ATOM 0 HG3 LYS A 40 23.485 13.057 22.643 1.00 44.11 H new ATOM 0 HD2 LYS A 40 21.102 13.288 23.341 1.00 10.54 H new ATOM 0 HD3 LYS A 40 21.502 12.693 24.940 1.00 10.54 H new ATOM 0 HE2 LYS A 40 23.067 14.626 25.237 1.00 65.51 H new ATOM 0 HE3 LYS A 40 22.582 15.233 23.666 1.00 65.51 H new ATOM 0 HZ1 LYS A 40 21.349 16.312 25.441 1.00 21.23 H new ATOM 0 HZ2 LYS A 40 20.291 15.406 24.470 1.00 21.23 H new ATOM 0 HZ3 LYS A 40 20.760 14.817 25.992 1.00 21.23 H new ATOM 580 N VAL A 41 24.003 7.798 22.173 1.00 51.33 N ATOM 581 CA VAL A 41 23.503 6.430 22.040 1.00 11.12 C ATOM 582 C VAL A 41 23.392 5.744 23.412 1.00 64.13 C ATOM 583 O VAL A 41 24.000 6.170 24.402 1.00 71.32 O ATOM 584 CB VAL A 41 24.379 5.604 21.054 1.00 35.55 C ATOM 585 CG1 VAL A 41 24.308 6.214 19.645 1.00 61.54 C ATOM 586 CG2 VAL A 41 25.842 5.534 21.499 1.00 35.05 C ATOM 0 H VAL A 41 24.944 7.948 21.808 1.00 51.33 H new ATOM 0 HA VAL A 41 22.499 6.480 21.619 1.00 11.12 H new ATOM 0 HB VAL A 41 23.980 4.590 21.045 1.00 35.55 H new ATOM 0 HG11 VAL A 41 24.925 5.628 18.963 1.00 61.54 H new ATOM 0 HG12 VAL A 41 23.275 6.207 19.297 1.00 61.54 H new ATOM 0 HG13 VAL A 41 24.674 7.240 19.674 1.00 61.54 H new ATOM 0 HG21 VAL A 41 26.413 4.947 20.780 1.00 35.05 H new ATOM 0 HG22 VAL A 41 26.254 6.542 21.555 1.00 35.05 H new ATOM 0 HG23 VAL A 41 25.902 5.063 22.480 1.00 35.05 H new ATOM 596 N LYS A 42 22.590 4.689 23.476 1.00 33.20 N ATOM 597 CA LYS A 42 22.426 3.879 24.689 1.00 21.44 C ATOM 598 C LYS A 42 23.716 3.140 25.047 1.00 53.32 C ATOM 599 O LYS A 42 24.579 2.924 24.201 1.00 4.31 O ATOM 600 CB LYS A 42 21.266 2.899 24.473 1.00 15.14 C ATOM 601 CG LYS A 42 21.503 1.844 23.396 1.00 51.53 C ATOM 602 CD LYS A 42 20.218 1.105 23.066 1.00 41.15 C ATOM 603 CE LYS A 42 20.468 0.042 22.008 1.00 51.00 C ATOM 604 NZ LYS A 42 19.186 -0.558 21.517 1.00 73.12 N ATOM 0 H LYS A 42 22.030 4.365 22.688 1.00 33.20 H new ATOM 0 HA LYS A 42 22.198 4.533 25.530 1.00 21.44 H new ATOM 0 HB2 LYS A 42 21.058 2.393 25.416 1.00 15.14 H new ATOM 0 HB3 LYS A 42 20.374 3.468 24.212 1.00 15.14 H new ATOM 0 HG2 LYS A 42 21.895 2.319 22.497 1.00 51.53 H new ATOM 0 HG3 LYS A 42 22.257 1.135 23.736 1.00 51.53 H new ATOM 0 HD2 LYS A 42 19.817 0.641 23.967 1.00 41.15 H new ATOM 0 HD3 LYS A 42 19.468 1.811 22.710 1.00 41.15 H new ATOM 0 HE2 LYS A 42 21.009 0.482 21.170 1.00 51.00 H new ATOM 0 HE3 LYS A 42 21.103 -0.742 22.421 1.00 51.00 H new ATOM 0 HZ1 LYS A 42 19.394 -1.279 20.797 1.00 73.12 H new ATOM 0 HZ2 LYS A 42 18.682 -0.999 22.313 1.00 73.12 H new ATOM 0 HZ3 LYS A 42 18.591 0.187 21.100 1.00 73.12 H new ATOM 618 N MET A 43 23.850 2.728 26.297 1.00 32.05 N ATOM 619 CA MET A 43 25.104 2.158 26.807 1.00 50.55 C ATOM 620 C MET A 43 25.236 0.646 26.600 1.00 43.05 C ATOM 621 O MET A 43 26.179 0.020 27.082 1.00 54.45 O ATOM 622 CB MET A 43 25.203 2.455 28.306 1.00 11.34 C ATOM 623 CG MET A 43 25.104 3.937 28.663 1.00 43.45 C ATOM 624 SD MET A 43 25.072 4.142 30.453 1.00 13.44 S ATOM 625 CE MET A 43 24.858 5.897 30.636 1.00 53.12 C ATOM 0 H MET A 43 23.103 2.775 26.990 1.00 32.05 H new ATOM 0 HA MET A 43 25.910 2.622 26.238 1.00 50.55 H new ATOM 0 HB2 MET A 43 24.410 1.915 28.824 1.00 11.34 H new ATOM 0 HB3 MET A 43 26.150 2.066 28.679 1.00 11.34 H new ATOM 0 HG2 MET A 43 25.952 4.478 28.242 1.00 43.45 H new ATOM 0 HG3 MET A 43 24.203 4.365 28.224 1.00 43.45 H new ATOM 0 HE1 MET A 43 24.823 6.151 31.695 1.00 53.12 H new ATOM 0 HE2 MET A 43 25.693 6.416 30.166 1.00 53.12 H new ATOM 0 HE3 MET A 43 23.926 6.202 30.159 1.00 53.12 H new ATOM 635 N THR A 44 24.276 0.048 25.910 1.00 13.22 N ATOM 636 CA THR A 44 24.219 -1.407 25.736 1.00 1.33 C ATOM 637 C THR A 44 24.717 -1.884 24.371 1.00 21.33 C ATOM 638 O THR A 44 24.686 -3.077 24.070 1.00 51.55 O ATOM 639 CB THR A 44 22.763 -1.891 25.907 1.00 51.31 C ATOM 640 OG1 THR A 44 21.926 -1.211 24.970 1.00 33.01 O ATOM 641 CG2 THR A 44 22.206 -1.565 27.287 1.00 21.03 C ATOM 0 H THR A 44 23.514 0.550 25.454 1.00 13.22 H new ATOM 0 HA THR A 44 24.880 -1.826 26.494 1.00 1.33 H new ATOM 0 HB THR A 44 22.772 -2.971 25.757 1.00 51.31 H new ATOM 0 HG1 THR A 44 21.001 -1.518 25.075 1.00 33.01 H new ATOM 0 HG21 THR A 44 21.180 -1.925 27.359 1.00 21.03 H new ATOM 0 HG22 THR A 44 22.815 -2.050 28.049 1.00 21.03 H new ATOM 0 HG23 THR A 44 22.224 -0.486 27.441 1.00 21.03 H new ATOM 649 N THR A 45 25.170 -0.971 23.524 1.00 11.44 N ATOM 650 CA THR A 45 25.674 -1.345 22.201 1.00 34.32 C ATOM 651 C THR A 45 27.070 -1.949 22.335 1.00 43.44 C ATOM 652 O THR A 45 27.786 -1.631 23.280 1.00 55.32 O ATOM 653 CB THR A 45 25.782 -0.102 21.299 1.00 75.21 C ATOM 654 OG1 THR A 45 26.599 0.872 21.953 1.00 34.45 O ATOM 655 CG2 THR A 45 24.425 0.543 21.078 1.00 21.31 C ATOM 0 H THR A 45 25.201 0.029 23.723 1.00 11.44 H new ATOM 0 HA THR A 45 24.983 -2.065 21.763 1.00 34.32 H new ATOM 0 HB THR A 45 26.199 -0.420 20.344 1.00 75.21 H new ATOM 0 HG1 THR A 45 26.676 1.668 21.386 1.00 34.45 H new ATOM 0 HG21 THR A 45 24.538 1.417 20.437 1.00 21.31 H new ATOM 0 HG22 THR A 45 23.755 -0.173 20.601 1.00 21.31 H new ATOM 0 HG23 THR A 45 24.006 0.848 22.037 1.00 21.31 H new ATOM 663 N HIS A 46 27.494 -2.797 21.408 1.00 15.43 N ATOM 664 CA HIS A 46 28.848 -3.355 21.478 1.00 43.05 C ATOM 665 C HIS A 46 29.843 -2.374 20.870 1.00 44.24 C ATOM 666 O HIS A 46 29.489 -1.543 20.025 1.00 30.24 O ATOM 667 CB HIS A 46 28.923 -4.726 20.799 1.00 42.43 C ATOM 668 CG HIS A 46 28.040 -5.747 21.444 1.00 12.53 C ATOM 669 ND1 HIS A 46 26.776 -6.080 20.973 1.00 20.10 N ATOM 670 CD2 HIS A 46 28.203 -6.503 22.557 1.00 23.44 C ATOM 671 CE1 HIS A 46 26.226 -6.970 21.786 1.00 23.52 C ATOM 672 NE2 HIS A 46 27.068 -7.237 22.754 1.00 31.31 N ATOM 0 H HIS A 46 26.938 -3.112 20.613 1.00 15.43 H new ATOM 0 HA HIS A 46 29.109 -3.507 22.525 1.00 43.05 H new ATOM 0 HB2 HIS A 46 28.643 -4.622 19.751 1.00 42.43 H new ATOM 0 HB3 HIS A 46 29.954 -5.080 20.820 1.00 42.43 H new ATOM 0 HD2 HIS A 46 29.083 -6.522 23.183 1.00 23.44 H new ATOM 0 HE1 HIS A 46 25.244 -7.404 21.670 1.00 23.52 H new ATOM 0 HE2 HIS A 46 26.903 -7.884 23.525 1.00 31.31 H new ATOM 681 N LEU A 47 31.098 -2.462 21.284 1.00 63.10 N ATOM 682 CA LEU A 47 32.138 -1.533 20.838 1.00 73.50 C ATOM 683 C LEU A 47 32.468 -1.657 19.356 1.00 52.43 C ATOM 684 O LEU A 47 33.003 -0.718 18.779 1.00 11.31 O ATOM 685 CB LEU A 47 33.425 -1.715 21.659 1.00 4.45 C ATOM 686 CG LEU A 47 33.661 -0.837 22.895 1.00 64.43 C ATOM 687 CD1 LEU A 47 33.800 0.630 22.510 1.00 70.32 C ATOM 688 CD2 LEU A 47 32.573 -0.996 23.947 1.00 60.54 C ATOM 0 H LEU A 47 31.428 -3.174 21.935 1.00 63.10 H new ATOM 0 HA LEU A 47 31.728 -0.536 20.998 1.00 73.50 H new ATOM 0 HB2 LEU A 47 33.461 -2.755 21.985 1.00 4.45 H new ATOM 0 HB3 LEU A 47 34.268 -1.563 20.984 1.00 4.45 H new ATOM 0 HG LEU A 47 34.596 -1.182 23.336 1.00 64.43 H new ATOM 0 HD11 LEU A 47 33.966 1.227 23.407 1.00 70.32 H new ATOM 0 HD12 LEU A 47 34.645 0.750 21.832 1.00 70.32 H new ATOM 0 HD13 LEU A 47 32.888 0.964 22.015 1.00 70.32 H new ATOM 0 HD21 LEU A 47 32.793 -0.351 24.798 1.00 60.54 H new ATOM 0 HD22 LEU A 47 31.610 -0.717 23.519 1.00 60.54 H new ATOM 0 HD23 LEU A 47 32.536 -2.034 24.278 1.00 60.54 H new ATOM 700 N LYS A 48 32.083 -2.754 18.714 1.00 2.03 N ATOM 701 CA LYS A 48 32.229 -2.897 17.259 1.00 33.22 C ATOM 702 C LYS A 48 31.583 -1.739 16.501 1.00 73.23 C ATOM 703 O LYS A 48 32.173 -1.208 15.562 1.00 11.32 O ATOM 704 CB LYS A 48 31.599 -4.207 16.765 1.00 72.04 C ATOM 705 CG LYS A 48 32.199 -5.477 17.348 1.00 21.40 C ATOM 706 CD LYS A 48 31.523 -6.711 16.780 1.00 11.24 C ATOM 707 CE LYS A 48 32.067 -7.976 17.434 1.00 71.11 C ATOM 708 NZ LYS A 48 31.457 -9.201 16.829 1.00 63.30 N ATOM 0 H LYS A 48 31.666 -3.563 19.174 1.00 2.03 H new ATOM 0 HA LYS A 48 33.301 -2.900 17.061 1.00 33.22 H new ATOM 0 HB2 LYS A 48 30.534 -4.189 16.996 1.00 72.04 H new ATOM 0 HB3 LYS A 48 31.689 -4.247 15.679 1.00 72.04 H new ATOM 0 HG2 LYS A 48 33.267 -5.511 17.131 1.00 21.40 H new ATOM 0 HG3 LYS A 48 32.094 -5.468 18.433 1.00 21.40 H new ATOM 0 HD2 LYS A 48 30.447 -6.648 16.940 1.00 11.24 H new ATOM 0 HD3 LYS A 48 31.683 -6.755 15.703 1.00 11.24 H new ATOM 0 HE2 LYS A 48 33.150 -8.011 17.319 1.00 71.11 H new ATOM 0 HE3 LYS A 48 31.860 -7.954 18.504 1.00 71.11 H new ATOM 0 HZ1 LYS A 48 31.845 -10.047 17.293 1.00 63.30 H new ATOM 0 HZ2 LYS A 48 30.426 -9.176 16.960 1.00 63.30 H new ATOM 0 HZ3 LYS A 48 31.676 -9.232 15.813 1.00 63.30 H new ATOM 722 N LYS A 49 30.404 -1.290 16.914 1.00 21.21 N ATOM 723 CA LYS A 49 29.779 -0.158 16.227 1.00 12.32 C ATOM 724 C LYS A 49 30.523 1.149 16.479 1.00 71.44 C ATOM 725 O LYS A 49 30.658 1.958 15.573 1.00 1.23 O ATOM 726 CB LYS A 49 28.301 -0.033 16.615 1.00 33.34 C ATOM 727 CG LYS A 49 27.471 0.928 15.754 1.00 34.52 C ATOM 728 CD LYS A 49 27.366 0.487 14.289 1.00 41.21 C ATOM 729 CE LYS A 49 26.448 1.424 13.521 1.00 44.23 C ATOM 730 NZ LYS A 49 26.337 1.067 12.069 1.00 72.14 N ATOM 0 H LYS A 49 29.873 -1.675 17.695 1.00 21.21 H new ATOM 0 HA LYS A 49 29.838 -0.358 15.157 1.00 12.32 H new ATOM 0 HB2 LYS A 49 27.846 -1.022 16.566 1.00 33.34 H new ATOM 0 HB3 LYS A 49 28.242 0.294 17.653 1.00 33.34 H new ATOM 0 HG2 LYS A 49 26.469 1.010 16.175 1.00 34.52 H new ATOM 0 HG3 LYS A 49 27.917 1.922 15.797 1.00 34.52 H new ATOM 0 HD2 LYS A 49 28.356 0.481 13.832 1.00 41.21 H new ATOM 0 HD3 LYS A 49 26.984 -0.532 14.235 1.00 41.21 H new ATOM 0 HE2 LYS A 49 25.456 1.404 13.972 1.00 44.23 H new ATOM 0 HE3 LYS A 49 26.819 2.445 13.612 1.00 44.23 H new ATOM 0 HZ1 LYS A 49 25.623 1.673 11.616 1.00 72.14 H new ATOM 0 HZ2 LYS A 49 27.257 1.210 11.605 1.00 72.14 H new ATOM 0 HZ3 LYS A 49 26.054 0.071 11.977 1.00 72.14 H new ATOM 744 N LEU A 50 31.067 1.352 17.670 1.00 44.25 N ATOM 745 CA LEU A 50 31.845 2.569 17.920 1.00 11.35 C ATOM 746 C LEU A 50 33.143 2.532 17.113 1.00 72.02 C ATOM 747 O LEU A 50 33.569 3.546 16.572 1.00 53.01 O ATOM 748 CB LEU A 50 32.151 2.752 19.414 1.00 41.05 C ATOM 749 CG LEU A 50 32.723 4.132 19.808 1.00 73.13 C ATOM 750 CD1 LEU A 50 31.731 5.273 19.575 1.00 5.35 C ATOM 751 CD2 LEU A 50 33.163 4.143 21.268 1.00 2.31 C ATOM 0 H LEU A 50 30.992 0.714 18.462 1.00 44.25 H new ATOM 0 HA LEU A 50 31.245 3.422 17.602 1.00 11.35 H new ATOM 0 HB2 LEU A 50 31.234 2.583 19.979 1.00 41.05 H new ATOM 0 HB3 LEU A 50 32.860 1.983 19.719 1.00 41.05 H new ATOM 0 HG LEU A 50 33.584 4.297 19.160 1.00 73.13 H new ATOM 0 HD11 LEU A 50 32.188 6.218 19.870 1.00 5.35 H new ATOM 0 HD12 LEU A 50 31.464 5.313 18.519 1.00 5.35 H new ATOM 0 HD13 LEU A 50 30.834 5.102 20.170 1.00 5.35 H new ATOM 0 HD21 LEU A 50 33.562 5.125 21.520 1.00 2.31 H new ATOM 0 HD22 LEU A 50 32.308 3.923 21.907 1.00 2.31 H new ATOM 0 HD23 LEU A 50 33.934 3.388 21.421 1.00 2.31 H new ATOM 763 N LYS A 51 33.748 1.355 16.997 1.00 74.33 N ATOM 764 CA LYS A 51 34.962 1.146 16.195 1.00 54.12 C ATOM 765 C LYS A 51 34.691 1.580 14.763 1.00 64.13 C ATOM 766 O LYS A 51 35.477 2.309 14.164 1.00 63.43 O ATOM 767 CB LYS A 51 35.345 -0.341 16.244 1.00 12.20 C ATOM 768 CG LYS A 51 36.695 -0.747 15.668 1.00 44.42 C ATOM 769 CD LYS A 51 36.681 -2.268 15.493 1.00 72.42 C ATOM 770 CE LYS A 51 38.021 -2.893 15.113 1.00 12.34 C ATOM 771 NZ LYS A 51 39.005 -2.940 16.236 1.00 21.05 N ATOM 0 H LYS A 51 33.412 0.509 17.458 1.00 74.33 H new ATOM 0 HA LYS A 51 35.787 1.737 16.593 1.00 54.12 H new ATOM 0 HB2 LYS A 51 35.316 -0.660 17.286 1.00 12.20 H new ATOM 0 HB3 LYS A 51 34.574 -0.903 15.717 1.00 12.20 H new ATOM 0 HG2 LYS A 51 36.869 -0.253 14.712 1.00 44.42 H new ATOM 0 HG3 LYS A 51 37.503 -0.445 16.334 1.00 44.42 H new ATOM 0 HD2 LYS A 51 36.338 -2.721 16.423 1.00 72.42 H new ATOM 0 HD3 LYS A 51 35.950 -2.522 14.726 1.00 72.42 H new ATOM 0 HE2 LYS A 51 37.849 -3.906 14.751 1.00 12.34 H new ATOM 0 HE3 LYS A 51 38.453 -2.328 14.287 1.00 12.34 H new ATOM 0 HZ1 LYS A 51 39.828 -3.509 15.953 1.00 21.05 H new ATOM 0 HZ2 LYS A 51 39.314 -1.974 16.467 1.00 21.05 H new ATOM 0 HZ3 LYS A 51 38.558 -3.370 17.071 1.00 21.05 H new ATOM 785 N GLU A 52 33.542 1.174 14.243 1.00 40.42 N ATOM 786 CA GLU A 52 33.119 1.579 12.909 1.00 22.01 C ATOM 787 C GLU A 52 32.922 3.093 12.834 1.00 52.54 C ATOM 788 O GLU A 52 33.469 3.737 11.946 1.00 45.24 O ATOM 789 CB GLU A 52 31.817 0.855 12.546 1.00 41.51 C ATOM 790 CG GLU A 52 31.292 1.128 11.151 1.00 12.03 C ATOM 791 CD GLU A 52 29.872 0.614 10.992 1.00 53.21 C ATOM 792 OE1 GLU A 52 29.630 -0.611 11.073 1.00 64.04 O ATOM 793 OE2 GLU A 52 28.957 1.447 10.800 1.00 65.42 O ATOM 0 H GLU A 52 32.884 0.563 14.726 1.00 40.42 H new ATOM 0 HA GLU A 52 33.897 1.307 12.196 1.00 22.01 H new ATOM 0 HB2 GLU A 52 31.975 -0.218 12.653 1.00 41.51 H new ATOM 0 HB3 GLU A 52 31.050 1.138 13.267 1.00 41.51 H new ATOM 0 HG2 GLU A 52 31.319 2.199 10.952 1.00 12.03 H new ATOM 0 HG3 GLU A 52 31.939 0.651 10.415 1.00 12.03 H new ATOM 800 N SER A 53 32.183 3.682 13.763 1.00 3.13 N ATOM 801 CA SER A 53 31.907 5.118 13.711 1.00 75.03 C ATOM 802 C SER A 53 33.152 5.991 13.855 1.00 44.51 C ATOM 803 O SER A 53 33.257 7.043 13.218 1.00 41.44 O ATOM 804 CB SER A 53 30.904 5.493 14.799 1.00 72.21 C ATOM 805 OG SER A 53 29.761 4.652 14.739 1.00 54.45 O ATOM 0 H SER A 53 31.765 3.197 14.557 1.00 3.13 H new ATOM 0 HA SER A 53 31.499 5.311 12.719 1.00 75.03 H new ATOM 0 HB2 SER A 53 31.374 5.407 15.779 1.00 72.21 H new ATOM 0 HB3 SER A 53 30.603 6.534 14.680 1.00 72.21 H new ATOM 0 HG SER A 53 29.986 3.768 15.097 1.00 54.45 H new ATOM 811 N TYR A 54 34.119 5.562 14.654 1.00 42.43 N ATOM 812 CA TYR A 54 35.369 6.306 14.763 1.00 22.33 C ATOM 813 C TYR A 54 36.136 6.191 13.446 1.00 74.44 C ATOM 814 O TYR A 54 36.631 7.179 12.919 1.00 74.24 O ATOM 815 CB TYR A 54 36.233 5.818 15.932 1.00 73.41 C ATOM 816 CG TYR A 54 37.286 6.844 16.313 1.00 13.43 C ATOM 817 CD1 TYR A 54 38.373 7.114 15.460 1.00 3.32 C ATOM 818 CD2 TYR A 54 37.172 7.596 17.500 1.00 22.21 C ATOM 819 CE1 TYR A 54 39.278 8.158 15.736 1.00 62.53 C ATOM 820 CE2 TYR A 54 38.100 8.638 17.795 1.00 22.51 C ATOM 821 CZ TYR A 54 39.118 8.929 16.884 1.00 74.31 C ATOM 822 OH TYR A 54 39.967 9.986 17.070 1.00 75.23 O ATOM 0 H TYR A 54 34.067 4.720 15.227 1.00 42.43 H new ATOM 0 HA TYR A 54 35.128 7.350 14.964 1.00 22.33 H new ATOM 0 HB2 TYR A 54 35.598 5.610 16.793 1.00 73.41 H new ATOM 0 HB3 TYR A 54 36.718 4.881 15.660 1.00 73.41 H new ATOM 0 HD1 TYR A 54 38.516 6.509 14.577 1.00 3.32 H new ATOM 0 HD2 TYR A 54 36.373 7.381 18.194 1.00 22.21 H new ATOM 0 HE1 TYR A 54 40.094 8.360 15.058 1.00 62.53 H new ATOM 0 HE2 TYR A 54 38.016 9.197 18.715 1.00 22.51 H new ATOM 0 HH TYR A 54 40.379 10.229 16.215 1.00 75.23 H new ATOM 832 N CYS A 55 36.208 5.005 12.860 1.00 3.11 N ATOM 833 CA CYS A 55 36.923 4.862 11.593 1.00 11.23 C ATOM 834 C CYS A 55 36.237 5.664 10.481 1.00 31.12 C ATOM 835 O CYS A 55 36.897 6.262 9.629 1.00 32.33 O ATOM 836 CB CYS A 55 37.049 3.384 11.234 1.00 15.54 C ATOM 837 SG CYS A 55 38.088 2.484 12.417 1.00 54.20 S ATOM 0 H CYS A 55 35.794 4.147 13.226 1.00 3.11 H new ATOM 0 HA CYS A 55 37.927 5.271 11.703 1.00 11.23 H new ATOM 0 HB2 CYS A 55 36.058 2.932 11.205 1.00 15.54 H new ATOM 0 HB3 CYS A 55 37.472 3.289 10.234 1.00 15.54 H new ATOM 0 HG CYS A 55 37.377 2.150 13.453 1.00 54.20 H new ATOM 842 N GLN A 56 34.922 5.808 10.560 1.00 41.21 N ATOM 843 CA GLN A 56 34.193 6.703 9.664 1.00 10.31 C ATOM 844 C GLN A 56 34.574 8.183 9.812 1.00 24.14 C ATOM 845 O GLN A 56 34.566 8.889 8.801 1.00 4.12 O ATOM 846 CB GLN A 56 32.680 6.530 9.841 1.00 11.13 C ATOM 847 CG GLN A 56 32.150 5.216 9.269 1.00 4.12 C ATOM 848 CD GLN A 56 30.676 4.985 9.539 1.00 45.05 C ATOM 849 OE1 GLN A 56 30.083 5.559 10.447 1.00 43.31 O ATOM 850 NE2 GLN A 56 30.074 4.121 8.771 1.00 73.22 N ATOM 0 H GLN A 56 34.335 5.318 11.235 1.00 41.21 H new ATOM 0 HA GLN A 56 34.486 6.411 8.655 1.00 10.31 H new ATOM 0 HB2 GLN A 56 32.438 6.580 10.903 1.00 11.13 H new ATOM 0 HB3 GLN A 56 32.167 7.362 9.357 1.00 11.13 H new ATOM 0 HG2 GLN A 56 32.319 5.204 8.192 1.00 4.12 H new ATOM 0 HG3 GLN A 56 32.722 4.389 9.691 1.00 4.12 H new ATOM 0 HE21 GLN A 56 30.590 3.657 8.023 1.00 73.22 H new ATOM 0 HE22 GLN A 56 29.087 3.908 8.918 1.00 73.22 H new ATOM 859 N ARG A 57 34.989 8.661 10.987 1.00 24.43 N ATOM 860 CA ARG A 57 35.431 10.066 11.119 1.00 73.13 C ATOM 861 C ARG A 57 36.753 10.311 10.395 1.00 72.12 C ATOM 862 O ARG A 57 37.090 11.451 10.070 1.00 10.21 O ATOM 863 CB ARG A 57 35.503 10.581 12.580 1.00 14.35 C ATOM 864 CG ARG A 57 36.853 10.462 13.337 1.00 41.44 C ATOM 865 CD ARG A 57 36.893 11.219 14.669 1.00 75.40 C ATOM 866 NE ARG A 57 35.961 10.703 15.684 1.00 1.00 N ATOM 867 CZ ARG A 57 35.945 11.025 16.971 1.00 1.00 C ATOM 868 NH1 ARG A 57 36.745 11.898 17.532 1.00 73.14 N ATOM 869 NH2 ARG A 57 35.069 10.443 17.731 1.00 52.32 N ATOM 0 H ARG A 57 35.031 8.116 11.848 1.00 24.43 H new ATOM 0 HA ARG A 57 34.648 10.650 10.635 1.00 73.13 H new ATOM 0 HB2 ARG A 57 35.216 11.632 12.576 1.00 14.35 H new ATOM 0 HB3 ARG A 57 34.749 10.047 13.158 1.00 14.35 H new ATOM 0 HG2 ARG A 57 37.061 9.408 13.524 1.00 41.44 H new ATOM 0 HG3 ARG A 57 37.651 10.835 12.695 1.00 41.44 H new ATOM 0 HD2 ARG A 57 37.907 11.177 15.068 1.00 75.40 H new ATOM 0 HD3 ARG A 57 36.667 12.269 14.484 1.00 75.40 H new ATOM 0 HE ARG A 57 35.260 10.033 15.368 1.00 1.00 H new ATOM 0 HH11 ARG A 57 37.443 12.385 16.970 1.00 73.14 H new ATOM 0 HH12 ARG A 57 36.670 12.091 18.531 1.00 73.14 H new ATOM 0 HH21 ARG A 57 34.421 9.762 17.334 1.00 52.32 H new ATOM 0 HH22 ARG A 57 35.028 10.666 18.725 1.00 52.32 H new ATOM 883 N GLN A 58 37.497 9.246 10.129 1.00 4.23 N ATOM 884 CA GLN A 58 38.748 9.346 9.377 1.00 13.22 C ATOM 885 C GLN A 58 38.569 8.958 7.911 1.00 12.32 C ATOM 886 O GLN A 58 39.424 9.259 7.079 1.00 73.32 O ATOM 887 CB GLN A 58 39.814 8.434 9.986 1.00 70.11 C ATOM 888 CG GLN A 58 40.227 8.764 11.411 1.00 34.31 C ATOM 889 CD GLN A 58 41.423 7.943 11.854 1.00 11.43 C ATOM 890 OE1 GLN A 58 41.757 6.924 11.264 1.00 42.42 O ATOM 891 NE2 GLN A 58 42.080 8.382 12.888 1.00 70.43 N ATOM 0 H GLN A 58 37.258 8.299 10.422 1.00 4.23 H new ATOM 0 HA GLN A 58 39.060 10.389 9.431 1.00 13.22 H new ATOM 0 HB2 GLN A 58 39.445 7.409 9.962 1.00 70.11 H new ATOM 0 HB3 GLN A 58 40.701 8.469 9.353 1.00 70.11 H new ATOM 0 HG2 GLN A 58 40.467 9.825 11.484 1.00 34.31 H new ATOM 0 HG3 GLN A 58 39.390 8.580 12.084 1.00 34.31 H new ATOM 0 HE21 GLN A 58 41.778 9.235 13.360 1.00 70.43 H new ATOM 0 HE22 GLN A 58 42.897 7.874 13.227 1.00 70.43 H new ATOM 900 N GLY A 59 37.471 8.294 7.579 1.00 75.25 N ATOM 901 CA GLY A 59 37.261 7.838 6.214 1.00 51.05 C ATOM 902 C GLY A 59 38.019 6.561 5.895 1.00 5.52 C ATOM 903 O GLY A 59 38.488 6.387 4.765 1.00 1.00 O ATOM 0 H GLY A 59 36.720 8.061 8.229 1.00 75.25 H new ATOM 0 HA2 GLY A 59 36.196 7.673 6.051 1.00 51.05 H new ATOM 0 HA3 GLY A 59 37.571 8.621 5.523 1.00 51.05 H new ATOM 907 N VAL A 60 38.191 5.690 6.882 1.00 65.52 N ATOM 908 CA VAL A 60 38.962 4.446 6.730 1.00 24.42 C ATOM 909 C VAL A 60 38.066 3.269 7.145 1.00 13.44 C ATOM 910 O VAL A 60 37.076 3.489 7.855 1.00 60.30 O ATOM 911 CB VAL A 60 40.281 4.499 7.576 1.00 41.32 C ATOM 912 CG1 VAL A 60 41.171 5.667 7.125 1.00 73.23 C ATOM 913 CG2 VAL A 60 39.996 4.612 9.074 1.00 10.23 C ATOM 0 H VAL A 60 37.802 5.820 7.816 1.00 65.52 H new ATOM 0 HA VAL A 60 39.265 4.317 5.691 1.00 24.42 H new ATOM 0 HB VAL A 60 40.807 3.560 7.404 1.00 41.32 H new ATOM 0 HG11 VAL A 60 42.080 5.684 7.726 1.00 73.23 H new ATOM 0 HG12 VAL A 60 41.432 5.541 6.074 1.00 73.23 H new ATOM 0 HG13 VAL A 60 40.633 6.606 7.255 1.00 73.23 H new ATOM 0 HG21 VAL A 60 40.938 4.646 9.622 1.00 10.23 H new ATOM 0 HG22 VAL A 60 39.430 5.523 9.269 1.00 10.23 H new ATOM 0 HG23 VAL A 60 39.417 3.748 9.400 1.00 10.23 H new ATOM 923 N PRO A 61 38.365 2.026 6.712 1.00 71.25 N ATOM 924 CA PRO A 61 37.470 0.933 7.127 1.00 24.04 C ATOM 925 C PRO A 61 37.604 0.577 8.609 1.00 71.25 C ATOM 926 O PRO A 61 38.592 0.936 9.253 1.00 52.34 O ATOM 927 CB PRO A 61 37.926 -0.227 6.238 1.00 45.34 C ATOM 928 CG PRO A 61 39.365 0.017 6.052 1.00 32.10 C ATOM 929 CD PRO A 61 39.447 1.508 5.850 1.00 32.01 C ATOM 0 HA PRO A 61 36.418 1.196 7.015 1.00 24.04 H new ATOM 0 HB2 PRO A 61 37.742 -1.191 6.713 1.00 45.34 H new ATOM 0 HB3 PRO A 61 37.395 -0.234 5.286 1.00 45.34 H new ATOM 0 HG2 PRO A 61 39.942 -0.303 6.920 1.00 32.10 H new ATOM 0 HG3 PRO A 61 39.756 -0.526 5.192 1.00 32.10 H new ATOM 0 HD2 PRO A 61 40.420 1.901 6.145 1.00 32.01 H new ATOM 0 HD3 PRO A 61 39.296 1.782 4.806 1.00 32.01 H new ATOM 937 N MET A 62 36.633 -0.136 9.167 1.00 52.23 N ATOM 938 CA MET A 62 36.629 -0.404 10.611 1.00 53.15 C ATOM 939 C MET A 62 37.797 -1.243 11.142 1.00 61.33 C ATOM 940 O MET A 62 38.136 -1.142 12.315 1.00 60.42 O ATOM 941 CB MET A 62 35.291 -0.995 11.068 1.00 12.33 C ATOM 942 CG MET A 62 35.016 -2.432 10.654 1.00 33.11 C ATOM 943 SD MET A 62 33.375 -2.984 11.176 1.00 5.24 S ATOM 944 CE MET A 62 33.508 -3.126 12.979 1.00 52.02 C ATOM 0 H MET A 62 35.846 -0.536 8.656 1.00 52.23 H new ATOM 0 HA MET A 62 36.771 0.581 11.055 1.00 53.15 H new ATOM 0 HB2 MET A 62 35.244 -0.937 12.155 1.00 12.33 H new ATOM 0 HB3 MET A 62 34.489 -0.367 10.680 1.00 12.33 H new ATOM 0 HG2 MET A 62 35.101 -2.520 9.571 1.00 33.11 H new ATOM 0 HG3 MET A 62 35.773 -3.085 11.087 1.00 33.11 H new ATOM 0 HE1 MET A 62 32.584 -3.542 13.380 1.00 52.02 H new ATOM 0 HE2 MET A 62 34.341 -3.782 13.232 1.00 52.02 H new ATOM 0 HE3 MET A 62 33.679 -2.140 13.410 1.00 52.02 H new ATOM 954 N ASN A 63 38.472 -2.006 10.290 1.00 55.23 N ATOM 955 CA ASN A 63 39.667 -2.768 10.682 1.00 3.42 C ATOM 956 C ASN A 63 40.901 -1.905 10.992 1.00 41.34 C ATOM 957 O ASN A 63 41.978 -2.422 11.268 1.00 51.31 O ATOM 958 CB ASN A 63 40.024 -3.741 9.547 1.00 70.10 C ATOM 959 CG ASN A 63 40.982 -4.839 9.971 1.00 12.40 C ATOM 960 OD1 ASN A 63 40.961 -5.325 11.098 1.00 11.44 O ATOM 961 ND2 ASN A 63 41.811 -5.259 9.059 1.00 14.45 N ATOM 0 H ASN A 63 38.213 -2.118 9.310 1.00 55.23 H new ATOM 0 HA ASN A 63 39.411 -3.283 11.608 1.00 3.42 H new ATOM 0 HB2 ASN A 63 39.109 -4.195 9.167 1.00 70.10 H new ATOM 0 HB3 ASN A 63 40.468 -3.180 8.724 1.00 70.10 H new ATOM 0 HD21 ASN A 63 42.466 -6.011 9.273 1.00 14.45 H new ATOM 0 HD22 ASN A 63 41.805 -4.836 8.131 1.00 14.45 H new ATOM 968 N SER A 64 40.785 -0.588 10.895 1.00 32.25 N ATOM 969 CA SER A 64 41.941 0.290 11.075 1.00 10.43 C ATOM 970 C SER A 64 42.384 0.598 12.505 1.00 2.54 C ATOM 971 O SER A 64 43.573 0.849 12.727 1.00 44.34 O ATOM 972 CB SER A 64 41.648 1.627 10.400 1.00 53.31 C ATOM 973 OG SER A 64 41.238 1.409 9.061 1.00 71.21 O ATOM 0 H SER A 64 39.910 -0.103 10.694 1.00 32.25 H new ATOM 0 HA SER A 64 42.762 -0.276 10.636 1.00 10.43 H new ATOM 0 HB2 SER A 64 40.869 2.158 10.947 1.00 53.31 H new ATOM 0 HB3 SER A 64 42.537 2.257 10.420 1.00 53.31 H new ATOM 0 HG SER A 64 40.265 1.511 8.996 1.00 71.21 H new ATOM 979 N LEU A 65 41.457 0.659 13.455 1.00 11.31 N ATOM 980 CA LEU A 65 41.744 1.191 14.796 1.00 24.13 C ATOM 981 C LEU A 65 41.152 0.348 15.921 1.00 10.12 C ATOM 982 O LEU A 65 40.169 -0.362 15.718 1.00 1.35 O ATOM 983 CB LEU A 65 41.130 2.591 14.923 1.00 54.30 C ATOM 984 CG LEU A 65 41.628 3.719 14.007 1.00 33.00 C ATOM 985 CD1 LEU A 65 40.688 4.898 14.134 1.00 64.12 C ATOM 986 CD2 LEU A 65 43.049 4.158 14.336 1.00 3.33 C ATOM 0 H LEU A 65 40.494 0.347 13.327 1.00 11.31 H new ATOM 0 HA LEU A 65 42.829 1.193 14.897 1.00 24.13 H new ATOM 0 HB2 LEU A 65 40.056 2.492 14.766 1.00 54.30 H new ATOM 0 HB3 LEU A 65 41.273 2.919 15.953 1.00 54.30 H new ATOM 0 HG LEU A 65 41.642 3.339 12.985 1.00 33.00 H new ATOM 0 HD11 LEU A 65 41.030 5.707 13.488 1.00 64.12 H new ATOM 0 HD12 LEU A 65 39.684 4.596 13.837 1.00 64.12 H new ATOM 0 HD13 LEU A 65 40.672 5.241 15.168 1.00 64.12 H new ATOM 0 HD21 LEU A 65 43.349 4.957 13.658 1.00 3.33 H new ATOM 0 HD22 LEU A 65 43.089 4.520 15.363 1.00 3.33 H new ATOM 0 HD23 LEU A 65 43.727 3.312 14.222 1.00 3.33 H new ATOM 998 N ARG A 66 41.716 0.466 17.116 1.00 42.12 N ATOM 999 CA ARG A 66 41.190 -0.176 18.326 1.00 45.32 C ATOM 1000 C ARG A 66 41.289 0.847 19.450 1.00 71.13 C ATOM 1001 O ARG A 66 42.214 1.659 19.445 1.00 43.33 O ATOM 1002 CB ARG A 66 42.012 -1.433 18.623 1.00 65.52 C ATOM 1003 CG ARG A 66 41.547 -2.245 19.824 1.00 34.41 C ATOM 1004 CD ARG A 66 42.302 -3.548 19.952 1.00 3.05 C ATOM 1005 NE ARG A 66 41.967 -4.445 18.838 1.00 4.11 N ATOM 1006 CZ ARG A 66 40.965 -5.311 18.795 1.00 32.55 C ATOM 1007 NH1 ARG A 66 40.148 -5.530 19.787 1.00 2.21 N ATOM 1008 NH2 ARG A 66 40.759 -5.968 17.693 1.00 20.32 N ATOM 0 H ARG A 66 42.560 1.014 17.280 1.00 42.12 H new ATOM 0 HA ARG A 66 40.152 -0.487 18.210 1.00 45.32 H new ATOM 0 HB2 ARG A 66 41.995 -2.075 17.742 1.00 65.52 H new ATOM 0 HB3 ARG A 66 43.049 -1.139 18.783 1.00 65.52 H new ATOM 0 HG2 ARG A 66 41.680 -1.658 20.733 1.00 34.41 H new ATOM 0 HG3 ARG A 66 40.481 -2.451 19.732 1.00 34.41 H new ATOM 0 HD2 ARG A 66 43.375 -3.355 19.962 1.00 3.05 H new ATOM 0 HD3 ARG A 66 42.056 -4.027 20.900 1.00 3.05 H new ATOM 0 HE ARG A 66 42.566 -4.396 18.014 1.00 4.11 H new ATOM 0 HH11 ARG A 66 40.261 -5.019 20.663 1.00 2.21 H new ATOM 0 HH12 ARG A 66 39.396 -6.212 19.687 1.00 2.21 H new ATOM 0 HH21 ARG A 66 41.362 -5.812 16.886 1.00 20.32 H new ATOM 0 HH22 ARG A 66 39.994 -6.640 17.635 1.00 20.32 H new ATOM 1022 N PHE A 67 40.345 0.832 20.378 1.00 75.24 N ATOM 1023 CA PHE A 67 40.330 1.794 21.478 1.00 11.34 C ATOM 1024 C PHE A 67 41.257 1.351 22.598 1.00 11.53 C ATOM 1025 O PHE A 67 41.425 0.146 22.820 1.00 63.15 O ATOM 1026 CB PHE A 67 38.916 1.906 22.049 1.00 44.43 C ATOM 1027 CG PHE A 67 37.907 2.369 21.045 1.00 73.23 C ATOM 1028 CD1 PHE A 67 37.915 3.697 20.594 1.00 72.24 C ATOM 1029 CD2 PHE A 67 36.963 1.472 20.518 1.00 34.40 C ATOM 1030 CE1 PHE A 67 37.028 4.120 19.574 1.00 5.23 C ATOM 1031 CE2 PHE A 67 36.060 1.883 19.518 1.00 31.05 C ATOM 1032 CZ PHE A 67 36.111 3.208 19.028 1.00 54.52 C ATOM 0 H PHE A 67 39.575 0.163 20.394 1.00 75.24 H new ATOM 0 HA PHE A 67 40.664 2.755 21.086 1.00 11.34 H new ATOM 0 HB2 PHE A 67 38.611 0.935 22.439 1.00 44.43 H new ATOM 0 HB3 PHE A 67 38.925 2.599 22.891 1.00 44.43 H new ATOM 0 HD1 PHE A 67 38.605 4.405 21.029 1.00 72.24 H new ATOM 0 HD2 PHE A 67 36.929 0.456 20.883 1.00 34.40 H new ATOM 0 HE1 PHE A 67 37.057 5.139 19.218 1.00 5.23 H new ATOM 0 HE2 PHE A 67 35.331 1.188 19.127 1.00 31.05 H new ATOM 0 HZ PHE A 67 35.446 3.518 18.235 1.00 54.52 H new ATOM 1042 N LEU A 68 41.793 2.311 23.340 1.00 13.11 N ATOM 1043 CA LEU A 68 42.560 2.022 24.550 1.00 72.53 C ATOM 1044 C LEU A 68 42.410 3.092 25.625 1.00 30.52 C ATOM 1045 O LEU A 68 42.306 4.291 25.327 1.00 22.43 O ATOM 1046 CB LEU A 68 44.054 1.808 24.247 1.00 21.35 C ATOM 1047 CG LEU A 68 45.021 2.979 23.998 1.00 1.42 C ATOM 1048 CD1 LEU A 68 46.446 2.448 23.934 1.00 31.22 C ATOM 1049 CD2 LEU A 68 44.718 3.743 22.723 1.00 54.31 C ATOM 0 H LEU A 68 41.711 3.305 23.125 1.00 13.11 H new ATOM 0 HA LEU A 68 42.137 1.096 24.939 1.00 72.53 H new ATOM 0 HB2 LEU A 68 44.463 1.237 25.081 1.00 21.35 H new ATOM 0 HB3 LEU A 68 44.105 1.168 23.366 1.00 21.35 H new ATOM 0 HG LEU A 68 44.897 3.676 24.827 1.00 1.42 H new ATOM 0 HD11 LEU A 68 47.135 3.274 23.758 1.00 31.22 H new ATOM 0 HD12 LEU A 68 46.696 1.962 24.877 1.00 31.22 H new ATOM 0 HD13 LEU A 68 46.529 1.727 23.121 1.00 31.22 H new ATOM 0 HD21 LEU A 68 45.436 4.555 22.606 1.00 54.31 H new ATOM 0 HD22 LEU A 68 44.790 3.069 21.869 1.00 54.31 H new ATOM 0 HD23 LEU A 68 43.710 4.154 22.776 1.00 54.31 H new ATOM 1061 N PHE A 69 42.424 2.654 26.876 1.00 73.15 N ATOM 1062 CA PHE A 69 42.445 3.550 28.031 1.00 43.12 C ATOM 1063 C PHE A 69 43.020 2.796 29.222 1.00 63.44 C ATOM 1064 O PHE A 69 42.931 1.568 29.292 1.00 73.31 O ATOM 1065 CB PHE A 69 41.061 4.135 28.354 1.00 44.13 C ATOM 1066 CG PHE A 69 40.055 3.136 28.870 1.00 44.23 C ATOM 1067 CD1 PHE A 69 39.534 2.121 28.042 1.00 33.21 C ATOM 1068 CD2 PHE A 69 39.578 3.244 30.189 1.00 24.45 C ATOM 1069 CE1 PHE A 69 38.578 1.203 28.535 1.00 1.00 C ATOM 1070 CE2 PHE A 69 38.608 2.342 30.688 1.00 4.44 C ATOM 1071 CZ PHE A 69 38.116 1.312 29.862 1.00 13.41 C ATOM 0 H PHE A 69 42.421 1.664 27.123 1.00 73.15 H new ATOM 0 HA PHE A 69 43.077 4.406 27.793 1.00 43.12 H new ATOM 0 HB2 PHE A 69 41.180 4.925 29.096 1.00 44.13 H new ATOM 0 HB3 PHE A 69 40.660 4.601 27.454 1.00 44.13 H new ATOM 0 HD1 PHE A 69 39.869 2.044 27.018 1.00 33.21 H new ATOM 0 HD2 PHE A 69 39.957 4.026 30.830 1.00 24.45 H new ATOM 0 HE1 PHE A 69 38.202 0.419 27.895 1.00 1.00 H new ATOM 0 HE2 PHE A 69 38.246 2.443 31.700 1.00 4.44 H new ATOM 0 HZ PHE A 69 37.389 0.610 30.243 1.00 13.41 H new ATOM 1081 N GLU A 70 43.673 3.537 30.106 1.00 75.11 N ATOM 1082 CA GLU A 70 44.437 3.013 31.245 1.00 13.10 C ATOM 1083 C GLU A 70 45.490 1.994 30.812 1.00 43.02 C ATOM 1084 O GLU A 70 45.788 1.030 31.519 1.00 51.52 O ATOM 1085 CB GLU A 70 43.543 2.448 32.359 1.00 23.25 C ATOM 1086 CG GLU A 70 42.451 3.389 32.858 1.00 2.13 C ATOM 1087 CD GLU A 70 42.953 4.711 33.433 1.00 25.35 C ATOM 1088 OE1 GLU A 70 44.141 4.880 33.807 1.00 43.43 O ATOM 1089 OE2 GLU A 70 42.109 5.630 33.526 1.00 24.24 O ATOM 0 H GLU A 70 43.690 4.556 30.054 1.00 75.11 H new ATOM 0 HA GLU A 70 44.960 3.871 31.668 1.00 13.10 H new ATOM 0 HB2 GLU A 70 43.074 1.533 31.997 1.00 23.25 H new ATOM 0 HB3 GLU A 70 44.174 2.170 33.203 1.00 23.25 H new ATOM 0 HG2 GLU A 70 41.772 3.603 32.033 1.00 2.13 H new ATOM 0 HG3 GLU A 70 41.870 2.874 33.623 1.00 2.13 H new ATOM 1096 N GLY A 71 46.029 2.193 29.617 1.00 63.34 N ATOM 1097 CA GLY A 71 47.024 1.295 29.055 1.00 24.21 C ATOM 1098 C GLY A 71 46.460 0.077 28.353 1.00 1.42 C ATOM 1099 O GLY A 71 47.176 -0.582 27.599 1.00 65.00 O ATOM 0 H GLY A 71 45.789 2.979 29.013 1.00 63.34 H new ATOM 0 HA2 GLY A 71 47.637 1.853 28.347 1.00 24.21 H new ATOM 0 HA3 GLY A 71 47.685 0.962 29.855 1.00 24.21 H new ATOM 1103 N GLN A 72 45.191 -0.233 28.568 1.00 54.13 N ATOM 1104 CA GLN A 72 44.596 -1.444 28.016 1.00 33.55 C ATOM 1105 C GLN A 72 43.870 -1.181 26.708 1.00 63.14 C ATOM 1106 O GLN A 72 42.905 -0.416 26.671 1.00 70.32 O ATOM 1107 CB GLN A 72 43.600 -2.048 29.007 1.00 52.35 C ATOM 1108 CG GLN A 72 44.221 -2.420 30.344 1.00 74.12 C ATOM 1109 CD GLN A 72 43.276 -3.220 31.207 1.00 11.33 C ATOM 1110 OE1 GLN A 72 43.418 -4.434 31.350 1.00 5.44 O ATOM 1111 NE2 GLN A 72 42.300 -2.566 31.770 1.00 3.23 N ATOM 0 H GLN A 72 44.551 0.337 29.121 1.00 54.13 H new ATOM 0 HA GLN A 72 45.416 -2.137 27.828 1.00 33.55 H new ATOM 0 HB2 GLN A 72 42.792 -1.336 29.177 1.00 52.35 H new ATOM 0 HB3 GLN A 72 43.153 -2.938 28.563 1.00 52.35 H new ATOM 0 HG2 GLN A 72 45.130 -2.996 30.173 1.00 74.12 H new ATOM 0 HG3 GLN A 72 44.513 -1.512 30.872 1.00 74.12 H new ATOM 0 HE21 GLN A 72 42.213 -1.559 31.630 1.00 3.23 H new ATOM 0 HE22 GLN A 72 41.623 -3.061 32.351 1.00 3.23 H new ATOM 1120 N ARG A 73 44.302 -1.860 25.653 1.00 54.05 N ATOM 1121 CA ARG A 73 43.519 -1.947 24.420 1.00 64.31 C ATOM 1122 C ARG A 73 42.378 -2.895 24.757 1.00 1.44 C ATOM 1123 O ARG A 73 42.581 -3.824 25.550 1.00 31.01 O ATOM 1124 CB ARG A 73 44.354 -2.505 23.262 1.00 21.24 C ATOM 1125 CG ARG A 73 45.536 -1.627 22.858 1.00 52.23 C ATOM 1126 CD ARG A 73 46.289 -2.226 21.679 1.00 51.44 C ATOM 1127 NE ARG A 73 47.522 -1.483 21.390 1.00 4.30 N ATOM 1128 CZ ARG A 73 48.401 -1.756 20.436 1.00 2.55 C ATOM 1129 NH1 ARG A 73 48.248 -2.677 19.523 1.00 64.25 N ATOM 1130 NH2 ARG A 73 49.500 -1.068 20.412 1.00 70.12 N ATOM 0 H ARG A 73 45.191 -2.360 25.623 1.00 54.05 H new ATOM 0 HA ARG A 73 43.171 -0.967 24.094 1.00 64.31 H new ATOM 0 HB2 ARG A 73 44.727 -3.490 23.541 1.00 21.24 H new ATOM 0 HB3 ARG A 73 43.706 -2.643 22.396 1.00 21.24 H new ATOM 0 HG2 ARG A 73 45.180 -0.631 22.597 1.00 52.23 H new ATOM 0 HG3 ARG A 73 46.213 -1.512 23.705 1.00 52.23 H new ATOM 0 HD2 ARG A 73 46.533 -3.267 21.893 1.00 51.44 H new ATOM 0 HD3 ARG A 73 45.647 -2.224 20.798 1.00 51.44 H new ATOM 0 HE ARG A 73 47.722 -0.677 21.982 1.00 4.30 H new ATOM 0 HH11 ARG A 73 47.403 -3.248 19.511 1.00 64.25 H new ATOM 0 HH12 ARG A 73 48.973 -2.825 18.821 1.00 64.25 H new ATOM 0 HH21 ARG A 73 49.664 -0.345 21.112 1.00 70.12 H new ATOM 0 HH22 ARG A 73 50.200 -1.250 19.693 1.00 70.12 H new ATOM 1144 N ILE A 74 41.200 -2.690 24.189 1.00 1.23 N ATOM 1145 CA ILE A 74 40.027 -3.494 24.553 1.00 11.43 C ATOM 1146 C ILE A 74 39.428 -4.301 23.401 1.00 14.45 C ATOM 1147 O ILE A 74 39.565 -3.938 22.226 1.00 51.25 O ATOM 1148 CB ILE A 74 38.940 -2.600 25.223 1.00 31.22 C ATOM 1149 CG1 ILE A 74 38.403 -1.547 24.231 1.00 54.11 C ATOM 1150 CG2 ILE A 74 39.527 -1.928 26.490 1.00 24.11 C ATOM 1151 CD1 ILE A 74 37.217 -0.724 24.718 1.00 63.05 C ATOM 0 H ILE A 74 41.024 -1.980 23.478 1.00 1.23 H new ATOM 0 HA ILE A 74 40.389 -4.234 25.266 1.00 11.43 H new ATOM 0 HB ILE A 74 38.098 -3.227 25.518 1.00 31.22 H new ATOM 0 HG12 ILE A 74 39.215 -0.865 23.978 1.00 54.11 H new ATOM 0 HG13 ILE A 74 38.115 -2.055 23.311 1.00 54.11 H new ATOM 0 HG21 ILE A 74 38.765 -1.303 26.957 1.00 24.11 H new ATOM 0 HG22 ILE A 74 39.848 -2.696 27.194 1.00 24.11 H new ATOM 0 HG23 ILE A 74 40.382 -1.311 26.212 1.00 24.11 H new ATOM 0 HD11 ILE A 74 36.922 -0.017 23.943 1.00 63.05 H new ATOM 0 HD12 ILE A 74 36.381 -1.387 24.941 1.00 63.05 H new ATOM 0 HD13 ILE A 74 37.498 -0.179 25.619 1.00 63.05 H new ATOM 1163 N ALA A 75 38.792 -5.412 23.754 1.00 24.33 N ATOM 1164 CA ALA A 75 38.122 -6.281 22.790 1.00 11.30 C ATOM 1165 C ALA A 75 36.786 -5.645 22.397 1.00 2.13 C ATOM 1166 O ALA A 75 36.102 -5.031 23.222 1.00 1.24 O ATOM 1167 CB ALA A 75 37.916 -7.682 23.382 1.00 53.41 C ATOM 0 H ALA A 75 38.725 -5.737 24.718 1.00 24.33 H new ATOM 0 HA ALA A 75 38.741 -6.391 21.899 1.00 11.30 H new ATOM 0 HB1 ALA A 75 37.416 -8.316 22.650 1.00 53.41 H new ATOM 0 HB2 ALA A 75 38.883 -8.115 23.637 1.00 53.41 H new ATOM 0 HB3 ALA A 75 37.303 -7.611 24.280 1.00 53.41 H new ATOM 1173 N ASP A 76 36.425 -5.769 21.131 1.00 32.33 N ATOM 1174 CA ASP A 76 35.320 -4.985 20.580 1.00 44.44 C ATOM 1175 C ASP A 76 33.932 -5.555 20.869 1.00 14.40 C ATOM 1176 O ASP A 76 32.930 -4.856 20.740 1.00 72.13 O ATOM 1177 CB ASP A 76 35.485 -4.850 19.069 1.00 42.34 C ATOM 1178 CG ASP A 76 36.753 -4.118 18.682 1.00 24.52 C ATOM 1179 OD1 ASP A 76 36.940 -2.936 19.034 1.00 63.45 O ATOM 1180 OD2 ASP A 76 37.580 -4.729 17.971 1.00 32.00 O ATOM 0 H ASP A 76 36.874 -6.399 20.466 1.00 32.33 H new ATOM 0 HA ASP A 76 35.373 -4.018 21.080 1.00 44.44 H new ATOM 0 HB2 ASP A 76 35.492 -5.842 18.618 1.00 42.34 H new ATOM 0 HB3 ASP A 76 34.625 -4.320 18.660 1.00 42.34 H new ATOM 1185 N ASN A 77 33.831 -6.813 21.278 1.00 55.34 N ATOM 1186 CA ASN A 77 32.513 -7.368 21.603 1.00 23.13 C ATOM 1187 C ASN A 77 32.050 -7.049 23.027 1.00 2.45 C ATOM 1188 O ASN A 77 30.993 -7.500 23.456 1.00 61.11 O ATOM 1189 CB ASN A 77 32.447 -8.877 21.347 1.00 10.34 C ATOM 1190 CG ASN A 77 31.023 -9.363 21.187 1.00 13.41 C ATOM 1191 OD1 ASN A 77 30.234 -8.762 20.464 1.00 64.43 O ATOM 1192 ND2 ASN A 77 30.672 -10.421 21.864 1.00 63.42 N ATOM 0 H ASN A 77 34.615 -7.455 21.392 1.00 55.34 H new ATOM 0 HA ASN A 77 31.820 -6.869 20.925 1.00 23.13 H new ATOM 0 HB2 ASN A 77 33.015 -9.117 20.448 1.00 10.34 H new ATOM 0 HB3 ASN A 77 32.920 -9.406 22.174 1.00 10.34 H new ATOM 0 HD21 ASN A 77 29.717 -10.773 21.802 1.00 63.42 H new ATOM 0 HD22 ASN A 77 31.353 -10.897 22.456 1.00 63.42 H new ATOM 1199 N HIS A 78 32.796 -6.248 23.776 1.00 15.41 N ATOM 1200 CA HIS A 78 32.280 -5.749 25.055 1.00 54.11 C ATOM 1201 C HIS A 78 31.226 -4.690 24.753 1.00 3.45 C ATOM 1202 O HIS A 78 31.251 -4.095 23.678 1.00 21.10 O ATOM 1203 CB HIS A 78 33.394 -5.111 25.890 1.00 63.11 C ATOM 1204 CG HIS A 78 34.399 -6.095 26.397 1.00 41.31 C ATOM 1205 ND1 HIS A 78 34.087 -7.115 27.289 1.00 14.55 N ATOM 1206 CD2 HIS A 78 35.723 -6.246 26.147 1.00 61.41 C ATOM 1207 CE1 HIS A 78 35.176 -7.824 27.539 1.00 22.24 C ATOM 1208 NE2 HIS A 78 36.176 -7.322 26.857 1.00 2.22 N ATOM 0 H HIS A 78 33.736 -5.933 23.534 1.00 15.41 H new ATOM 0 HA HIS A 78 31.862 -6.581 25.621 1.00 54.11 H new ATOM 0 HB2 HIS A 78 33.905 -4.361 25.287 1.00 63.11 H new ATOM 0 HB3 HIS A 78 32.949 -4.590 26.737 1.00 63.11 H new ATOM 0 HD1 HIS A 78 33.164 -7.289 27.688 1.00 14.55 H new ATOM 0 HD2 HIS A 78 36.318 -5.622 25.497 1.00 61.41 H new ATOM 0 HE1 HIS A 78 35.232 -8.678 28.198 1.00 22.24 H new ATOM 1217 N THR A 79 30.342 -4.413 25.696 1.00 4.22 N ATOM 1218 CA THR A 79 29.564 -3.172 25.694 1.00 50.11 C ATOM 1219 C THR A 79 30.300 -2.194 26.612 1.00 72.00 C ATOM 1220 O THR A 79 31.099 -2.631 27.450 1.00 71.03 O ATOM 1221 CB THR A 79 28.138 -3.414 26.234 1.00 53.11 C ATOM 1222 OG1 THR A 79 28.224 -3.891 27.576 1.00 50.11 O ATOM 1223 CG2 THR A 79 27.405 -4.466 25.424 1.00 43.41 C ATOM 0 H THR A 79 30.139 -5.032 26.481 1.00 4.22 H new ATOM 0 HA THR A 79 29.470 -2.783 24.680 1.00 50.11 H new ATOM 0 HB THR A 79 27.596 -2.470 26.173 1.00 53.11 H new ATOM 0 HG1 THR A 79 27.322 -4.046 27.927 1.00 50.11 H new ATOM 0 HG21 THR A 79 26.405 -4.609 25.834 1.00 43.41 H new ATOM 0 HG22 THR A 79 27.329 -4.139 24.387 1.00 43.41 H new ATOM 0 HG23 THR A 79 27.953 -5.407 25.468 1.00 43.41 H new ATOM 1231 N PRO A 80 30.061 -0.873 26.504 1.00 53.44 N ATOM 1232 CA PRO A 80 30.832 -0.026 27.424 1.00 14.12 C ATOM 1233 C PRO A 80 30.400 -0.142 28.884 1.00 31.01 C ATOM 1234 O PRO A 80 31.186 0.146 29.791 1.00 3.11 O ATOM 1235 CB PRO A 80 30.587 1.380 26.874 1.00 22.12 C ATOM 1236 CG PRO A 80 29.234 1.297 26.290 1.00 51.12 C ATOM 1237 CD PRO A 80 29.206 -0.050 25.628 1.00 53.24 C ATOM 0 HA PRO A 80 31.882 -0.315 27.456 1.00 14.12 H new ATOM 0 HB2 PRO A 80 30.638 2.132 27.661 1.00 22.12 H new ATOM 0 HB3 PRO A 80 31.330 1.652 26.125 1.00 22.12 H new ATOM 0 HG2 PRO A 80 28.463 1.381 27.056 1.00 51.12 H new ATOM 0 HG3 PRO A 80 29.059 2.098 25.572 1.00 51.12 H new ATOM 0 HD2 PRO A 80 28.193 -0.447 25.566 1.00 53.24 H new ATOM 0 HD3 PRO A 80 29.595 -0.007 24.611 1.00 53.24 H new ATOM 1245 N LYS A 81 29.179 -0.601 29.137 1.00 22.34 N ATOM 1246 CA LYS A 81 28.729 -0.822 30.511 1.00 13.22 C ATOM 1247 C LYS A 81 29.382 -2.026 31.176 1.00 31.04 C ATOM 1248 O LYS A 81 29.555 -2.025 32.390 1.00 63.41 O ATOM 1249 CB LYS A 81 27.201 -0.897 30.588 1.00 20.51 C ATOM 1250 CG LYS A 81 26.541 -2.077 29.884 1.00 55.12 C ATOM 1251 CD LYS A 81 25.016 -1.982 29.911 1.00 4.22 C ATOM 1252 CE LYS A 81 24.410 -2.122 31.311 1.00 34.12 C ATOM 1253 NZ LYS A 81 22.915 -2.029 31.262 1.00 44.41 N ATOM 0 H LYS A 81 28.489 -0.826 28.420 1.00 22.34 H new ATOM 0 HA LYS A 81 29.058 0.046 31.082 1.00 13.22 H new ATOM 0 HB2 LYS A 81 26.913 -0.923 31.639 1.00 20.51 H new ATOM 0 HB3 LYS A 81 26.793 0.022 30.168 1.00 20.51 H new ATOM 0 HG2 LYS A 81 26.883 -2.119 28.850 1.00 55.12 H new ATOM 0 HG3 LYS A 81 26.855 -3.005 30.362 1.00 55.12 H new ATOM 0 HD2 LYS A 81 24.714 -1.023 29.489 1.00 4.22 H new ATOM 0 HD3 LYS A 81 24.602 -2.758 29.267 1.00 4.22 H new ATOM 0 HE2 LYS A 81 24.704 -3.078 31.744 1.00 34.12 H new ATOM 0 HE3 LYS A 81 24.805 -1.342 31.962 1.00 34.12 H new ATOM 0 HZ1 LYS A 81 22.529 -2.127 32.223 1.00 44.41 H new ATOM 0 HZ2 LYS A 81 22.637 -1.107 30.870 1.00 44.41 H new ATOM 0 HZ3 LYS A 81 22.539 -2.789 30.659 1.00 44.41 H new ATOM 1267 N GLU A 82 29.856 -2.994 30.403 1.00 51.23 N ATOM 1268 CA GLU A 82 30.622 -4.105 30.976 1.00 74.05 C ATOM 1269 C GLU A 82 31.931 -3.600 31.564 1.00 44.52 C ATOM 1270 O GLU A 82 32.438 -4.138 32.548 1.00 62.34 O ATOM 1271 CB GLU A 82 31.012 -5.122 29.903 1.00 70.33 C ATOM 1272 CG GLU A 82 29.939 -6.097 29.489 1.00 41.22 C ATOM 1273 CD GLU A 82 30.402 -6.903 28.291 1.00 34.54 C ATOM 1274 OE1 GLU A 82 31.492 -7.516 28.356 1.00 32.42 O ATOM 1275 OE2 GLU A 82 29.727 -6.881 27.241 1.00 41.23 O ATOM 0 H GLU A 82 29.729 -3.038 29.392 1.00 51.23 H new ATOM 0 HA GLU A 82 29.985 -4.561 31.734 1.00 74.05 H new ATOM 0 HB2 GLU A 82 31.340 -4.577 29.018 1.00 70.33 H new ATOM 0 HB3 GLU A 82 31.870 -5.689 30.264 1.00 70.33 H new ATOM 0 HG2 GLU A 82 29.704 -6.765 30.318 1.00 41.22 H new ATOM 0 HG3 GLU A 82 29.023 -5.559 29.244 1.00 41.22 H new ATOM 1282 N LEU A 83 32.486 -2.576 30.933 1.00 63.55 N ATOM 1283 CA LEU A 83 33.788 -2.037 31.315 1.00 24.42 C ATOM 1284 C LEU A 83 33.659 -0.858 32.277 1.00 2.13 C ATOM 1285 O LEU A 83 34.650 -0.390 32.835 1.00 34.35 O ATOM 1286 CB LEU A 83 34.555 -1.632 30.050 1.00 3.10 C ATOM 1287 CG LEU A 83 34.828 -2.755 29.029 1.00 41.35 C ATOM 1288 CD1 LEU A 83 35.444 -2.174 27.767 1.00 65.34 C ATOM 1289 CD2 LEU A 83 35.749 -3.849 29.578 1.00 31.22 C ATOM 0 H LEU A 83 32.051 -2.095 30.145 1.00 63.55 H new ATOM 0 HA LEU A 83 34.341 -2.812 31.845 1.00 24.42 H new ATOM 0 HB2 LEU A 83 33.996 -0.842 29.549 1.00 3.10 H new ATOM 0 HB3 LEU A 83 35.511 -1.204 30.352 1.00 3.10 H new ATOM 0 HG LEU A 83 33.865 -3.215 28.808 1.00 41.35 H new ATOM 0 HD11 LEU A 83 35.633 -2.975 27.052 1.00 65.34 H new ATOM 0 HD12 LEU A 83 34.758 -1.450 27.327 1.00 65.34 H new ATOM 0 HD13 LEU A 83 36.383 -1.680 28.015 1.00 65.34 H new ATOM 0 HD21 LEU A 83 35.904 -4.611 28.814 1.00 31.22 H new ATOM 0 HD22 LEU A 83 36.708 -3.412 29.855 1.00 31.22 H new ATOM 0 HD23 LEU A 83 35.291 -4.304 30.456 1.00 31.22 H new ATOM 1301 N GLY A 84 32.440 -0.379 32.489 1.00 12.21 N ATOM 1302 CA GLY A 84 32.217 0.722 33.415 1.00 61.05 C ATOM 1303 C GLY A 84 32.814 2.034 32.940 1.00 3.44 C ATOM 1304 O GLY A 84 33.357 2.797 33.741 1.00 20.04 O ATOM 0 H GLY A 84 31.597 -0.733 32.036 1.00 12.21 H new ATOM 0 HA2 GLY A 84 31.145 0.851 33.564 1.00 61.05 H new ATOM 0 HA3 GLY A 84 32.645 0.465 34.384 1.00 61.05 H new ATOM 1308 N MET A 85 32.794 2.274 31.636 1.00 43.15 N ATOM 1309 CA MET A 85 33.494 3.419 31.039 1.00 65.30 C ATOM 1310 C MET A 85 32.574 4.444 30.361 1.00 65.52 C ATOM 1311 O MET A 85 32.997 5.244 29.533 1.00 51.15 O ATOM 1312 CB MET A 85 34.538 2.889 30.054 1.00 42.20 C ATOM 1313 CG MET A 85 33.961 2.208 28.828 1.00 60.25 C ATOM 1314 SD MET A 85 35.289 1.645 27.772 1.00 1.00 S ATOM 1315 CE MET A 85 34.448 1.362 26.287 1.00 63.43 C ATOM 0 H MET A 85 32.299 1.690 30.962 1.00 43.15 H new ATOM 0 HA MET A 85 33.966 3.969 31.853 1.00 65.30 H new ATOM 0 HB2 MET A 85 35.167 3.718 29.730 1.00 42.20 H new ATOM 0 HB3 MET A 85 35.185 2.183 30.575 1.00 42.20 H new ATOM 0 HG2 MET A 85 33.339 1.365 29.127 1.00 60.25 H new ATOM 0 HG3 MET A 85 33.319 2.900 28.284 1.00 60.25 H new ATOM 0 HE1 MET A 85 34.931 0.549 25.745 1.00 63.43 H new ATOM 0 HE2 MET A 85 33.414 1.092 26.500 1.00 63.43 H new ATOM 0 HE3 MET A 85 34.469 2.267 25.679 1.00 63.43 H new ATOM 1325 N GLU A 86 31.291 4.394 30.681 1.00 61.12 N ATOM 1326 CA GLU A 86 30.257 5.112 29.925 1.00 44.44 C ATOM 1327 C GLU A 86 30.271 6.645 29.978 1.00 4.12 C ATOM 1328 O GLU A 86 29.513 7.297 29.256 1.00 71.00 O ATOM 1329 CB GLU A 86 28.873 4.641 30.382 1.00 65.01 C ATOM 1330 CG GLU A 86 28.702 3.128 30.441 1.00 13.45 C ATOM 1331 CD GLU A 86 28.736 2.617 31.872 1.00 63.40 C ATOM 1332 OE1 GLU A 86 29.724 2.885 32.595 1.00 2.52 O ATOM 1333 OE2 GLU A 86 27.779 1.959 32.320 1.00 34.12 O ATOM 0 H GLU A 86 30.929 3.858 31.470 1.00 61.12 H new ATOM 0 HA GLU A 86 30.489 4.864 28.889 1.00 44.44 H new ATOM 0 HB2 GLU A 86 28.672 5.054 31.370 1.00 65.01 H new ATOM 0 HB3 GLU A 86 28.123 5.052 29.706 1.00 65.01 H new ATOM 0 HG2 GLU A 86 27.756 2.850 29.977 1.00 13.45 H new ATOM 0 HG3 GLU A 86 29.493 2.649 29.864 1.00 13.45 H new ATOM 1340 N GLU A 87 31.116 7.241 30.805 1.00 20.31 N ATOM 1341 CA GLU A 87 31.199 8.699 30.910 1.00 1.32 C ATOM 1342 C GLU A 87 32.644 9.203 30.965 1.00 43.12 C ATOM 1343 O GLU A 87 32.915 10.307 31.442 1.00 61.25 O ATOM 1344 CB GLU A 87 30.361 9.184 32.101 1.00 14.34 C ATOM 1345 CG GLU A 87 30.805 8.682 33.473 1.00 33.31 C ATOM 1346 CD GLU A 87 29.912 9.191 34.591 1.00 22.12 C ATOM 1347 OE1 GLU A 87 28.668 9.074 34.492 1.00 61.14 O ATOM 1348 OE2 GLU A 87 30.440 9.667 35.628 1.00 23.24 O ATOM 0 H GLU A 87 31.759 6.739 31.418 1.00 20.31 H new ATOM 0 HA GLU A 87 30.780 9.130 30.001 1.00 1.32 H new ATOM 0 HB2 GLU A 87 30.375 10.274 32.112 1.00 14.34 H new ATOM 0 HB3 GLU A 87 29.326 8.880 31.941 1.00 14.34 H new ATOM 0 HG2 GLU A 87 30.802 7.592 33.477 1.00 33.31 H new ATOM 0 HG3 GLU A 87 31.831 8.999 33.658 1.00 33.31 H new ATOM 1355 N GLU A 88 33.581 8.403 30.474 1.00 62.41 N ATOM 1356 CA GLU A 88 34.994 8.798 30.479 1.00 21.15 C ATOM 1357 C GLU A 88 35.279 10.071 29.682 1.00 2.33 C ATOM 1358 O GLU A 88 34.725 10.301 28.600 1.00 13.44 O ATOM 1359 CB GLU A 88 35.879 7.677 29.926 1.00 31.13 C ATOM 1360 CG GLU A 88 35.980 6.464 30.835 1.00 1.00 C ATOM 1361 CD GLU A 88 36.524 6.813 32.205 1.00 43.02 C ATOM 1362 OE1 GLU A 88 37.680 7.292 32.317 1.00 71.32 O ATOM 1363 OE2 GLU A 88 35.793 6.631 33.206 1.00 21.22 O ATOM 0 H GLU A 88 33.397 7.485 30.070 1.00 62.41 H new ATOM 0 HA GLU A 88 35.229 8.997 31.525 1.00 21.15 H new ATOM 0 HB2 GLU A 88 35.487 7.362 28.959 1.00 31.13 H new ATOM 0 HB3 GLU A 88 36.880 8.071 29.751 1.00 31.13 H new ATOM 0 HG2 GLU A 88 34.994 6.011 30.943 1.00 1.00 H new ATOM 0 HG3 GLU A 88 36.625 5.718 30.370 1.00 1.00 H new ATOM 1370 N ASP A 89 36.142 10.907 30.243 1.00 44.21 N ATOM 1371 CA ASP A 89 36.546 12.169 29.623 1.00 34.14 C ATOM 1372 C ASP A 89 37.437 11.943 28.407 1.00 61.44 C ATOM 1373 O ASP A 89 37.378 12.702 27.441 1.00 5.24 O ATOM 1374 CB ASP A 89 37.321 13.013 30.638 1.00 2.54 C ATOM 1375 CG ASP A 89 37.618 14.411 30.127 1.00 63.33 C ATOM 1376 OD1 ASP A 89 36.668 15.188 29.872 1.00 2.53 O ATOM 1377 OD2 ASP A 89 38.815 14.762 29.984 1.00 52.44 O ATOM 0 H ASP A 89 36.585 10.731 31.145 1.00 44.21 H new ATOM 0 HA ASP A 89 35.639 12.681 29.301 1.00 34.14 H new ATOM 0 HB2 ASP A 89 36.747 13.082 31.562 1.00 2.54 H new ATOM 0 HB3 ASP A 89 38.258 12.512 30.882 1.00 2.54 H new ATOM 1382 N VAL A 90 38.273 10.914 28.444 1.00 42.15 N ATOM 1383 CA VAL A 90 39.106 10.572 27.292 1.00 53.22 C ATOM 1384 C VAL A 90 39.401 9.072 27.211 1.00 10.21 C ATOM 1385 O VAL A 90 39.911 8.444 28.145 1.00 4.35 O ATOM 1386 CB VAL A 90 40.416 11.438 27.268 1.00 25.14 C ATOM 1387 CG1 VAL A 90 41.184 11.389 28.600 1.00 65.44 C ATOM 1388 CG2 VAL A 90 41.326 11.073 26.086 1.00 71.13 C ATOM 0 H VAL A 90 38.394 10.303 29.252 1.00 42.15 H new ATOM 0 HA VAL A 90 38.536 10.814 26.395 1.00 53.22 H new ATOM 0 HB VAL A 90 40.092 12.469 27.128 1.00 25.14 H new ATOM 0 HG11 VAL A 90 42.080 12.005 28.526 1.00 65.44 H new ATOM 0 HG12 VAL A 90 40.548 11.767 29.401 1.00 65.44 H new ATOM 0 HG13 VAL A 90 41.468 10.360 28.818 1.00 65.44 H new ATOM 0 HG21 VAL A 90 42.220 11.696 26.109 1.00 71.13 H new ATOM 0 HG22 VAL A 90 41.613 10.024 26.158 1.00 71.13 H new ATOM 0 HG23 VAL A 90 40.792 11.239 25.151 1.00 71.13 H new ATOM 1398 N ILE A 91 39.100 8.504 26.055 1.00 22.44 N ATOM 1399 CA ILE A 91 39.558 7.176 25.654 1.00 4.54 C ATOM 1400 C ILE A 91 40.191 7.509 24.309 1.00 23.44 C ATOM 1401 O ILE A 91 39.684 8.380 23.603 1.00 43.00 O ATOM 1402 CB ILE A 91 38.383 6.152 25.568 1.00 40.20 C ATOM 1403 CG1 ILE A 91 37.802 5.950 26.982 1.00 40.32 C ATOM 1404 CG2 ILE A 91 38.842 4.810 24.927 1.00 34.41 C ATOM 1405 CD1 ILE A 91 36.739 4.870 27.136 1.00 1.11 C ATOM 0 H ILE A 91 38.518 8.959 25.352 1.00 22.44 H new ATOM 0 HA ILE A 91 40.239 6.683 26.348 1.00 4.54 H new ATOM 0 HB ILE A 91 37.602 6.544 24.916 1.00 40.20 H new ATOM 0 HG12 ILE A 91 38.625 5.717 27.658 1.00 40.32 H new ATOM 0 HG13 ILE A 91 37.376 6.897 27.313 1.00 40.32 H new ATOM 0 HG21 ILE A 91 37.999 4.121 24.883 1.00 34.41 H new ATOM 0 HG22 ILE A 91 39.212 4.996 23.919 1.00 34.41 H new ATOM 0 HG23 ILE A 91 39.637 4.372 25.530 1.00 34.41 H new ATOM 0 HD11 ILE A 91 36.412 4.827 28.175 1.00 1.11 H new ATOM 0 HD12 ILE A 91 35.888 5.104 26.497 1.00 1.11 H new ATOM 0 HD13 ILE A 91 37.156 3.905 26.847 1.00 1.11 H new ATOM 1417 N GLU A 92 41.307 6.887 23.969 1.00 15.21 N ATOM 1418 CA GLU A 92 42.031 7.209 22.741 1.00 70.20 C ATOM 1419 C GLU A 92 41.901 6.014 21.799 1.00 22.30 C ATOM 1420 O GLU A 92 41.361 4.972 22.183 1.00 11.52 O ATOM 1421 CB GLU A 92 43.511 7.488 23.034 1.00 42.21 C ATOM 1422 CG GLU A 92 43.772 8.675 23.965 1.00 24.24 C ATOM 1423 CD GLU A 92 45.258 8.985 24.121 1.00 60.23 C ATOM 1424 OE1 GLU A 92 46.081 8.509 23.298 1.00 70.32 O ATOM 1425 OE2 GLU A 92 45.636 9.701 25.078 1.00 52.02 O ATOM 0 H GLU A 92 41.738 6.150 24.528 1.00 15.21 H new ATOM 0 HA GLU A 92 41.611 8.107 22.288 1.00 70.20 H new ATOM 0 HB2 GLU A 92 43.953 6.595 23.475 1.00 42.21 H new ATOM 0 HB3 GLU A 92 44.026 7.666 22.090 1.00 42.21 H new ATOM 0 HG2 GLU A 92 43.260 9.556 23.577 1.00 24.24 H new ATOM 0 HG3 GLU A 92 43.344 8.464 24.945 1.00 24.24 H new ATOM 1432 N VAL A 93 42.443 6.137 20.596 1.00 62.52 N ATOM 1433 CA VAL A 93 42.526 5.029 19.645 1.00 52.32 C ATOM 1434 C VAL A 93 43.998 4.812 19.323 1.00 54.03 C ATOM 1435 O VAL A 93 44.818 5.729 19.470 1.00 60.42 O ATOM 1436 CB VAL A 93 41.739 5.295 18.322 1.00 61.11 C ATOM 1437 CG1 VAL A 93 40.242 5.310 18.577 1.00 2.21 C ATOM 1438 CG2 VAL A 93 42.147 6.615 17.657 1.00 32.24 C ATOM 0 H VAL A 93 42.840 7.009 20.247 1.00 62.52 H new ATOM 0 HA VAL A 93 42.071 4.150 20.102 1.00 52.32 H new ATOM 0 HB VAL A 93 41.991 4.479 17.645 1.00 61.11 H new ATOM 0 HG11 VAL A 93 39.715 5.497 17.641 1.00 2.21 H new ATOM 0 HG12 VAL A 93 39.932 4.346 18.982 1.00 2.21 H new ATOM 0 HG13 VAL A 93 40.003 6.097 19.292 1.00 2.21 H new ATOM 0 HG21 VAL A 93 41.572 6.754 16.742 1.00 32.24 H new ATOM 0 HG22 VAL A 93 41.950 7.442 18.339 1.00 32.24 H new ATOM 0 HG23 VAL A 93 43.210 6.588 17.417 1.00 32.24 H new ATOM 1448 N TYR A 94 44.323 3.616 18.860 1.00 61.22 N ATOM 1449 CA TYR A 94 45.646 3.301 18.335 1.00 12.33 C ATOM 1450 C TYR A 94 45.408 2.357 17.166 1.00 23.12 C ATOM 1451 O TYR A 94 44.434 1.595 17.185 1.00 32.13 O ATOM 1452 CB TYR A 94 46.516 2.642 19.405 1.00 61.54 C ATOM 1453 CG TYR A 94 47.985 2.640 19.049 1.00 64.30 C ATOM 1454 CD1 TYR A 94 48.772 3.780 19.304 1.00 42.42 C ATOM 1455 CD2 TYR A 94 48.600 1.515 18.459 1.00 3.25 C ATOM 1456 CE1 TYR A 94 50.155 3.794 19.000 1.00 50.43 C ATOM 1457 CE2 TYR A 94 49.993 1.523 18.157 1.00 73.33 C ATOM 1458 CZ TYR A 94 50.754 2.663 18.446 1.00 61.22 C ATOM 1459 OH TYR A 94 52.103 2.700 18.214 1.00 34.32 O ATOM 0 H TYR A 94 43.674 2.830 18.837 1.00 61.22 H new ATOM 0 HA TYR A 94 46.178 4.199 18.021 1.00 12.33 H new ATOM 0 HB2 TYR A 94 46.377 3.165 20.351 1.00 61.54 H new ATOM 0 HB3 TYR A 94 46.182 1.615 19.556 1.00 61.54 H new ATOM 0 HD1 TYR A 94 48.314 4.657 19.738 1.00 42.42 H new ATOM 0 HD2 TYR A 94 48.009 0.639 18.234 1.00 3.25 H new ATOM 0 HE1 TYR A 94 50.744 4.678 19.197 1.00 50.43 H new ATOM 0 HE2 TYR A 94 50.458 0.657 17.709 1.00 73.33 H new ATOM 0 HH TYR A 94 52.392 1.847 17.827 1.00 34.32 H new ATOM 1469 N GLN A 95 46.251 2.417 16.148 1.00 52.22 N ATOM 1470 CA GLN A 95 46.077 1.596 14.955 1.00 23.41 C ATOM 1471 C GLN A 95 46.154 0.094 15.218 1.00 72.02 C ATOM 1472 O GLN A 95 46.863 -0.382 16.108 1.00 44.24 O ATOM 1473 CB GLN A 95 47.106 2.003 13.893 1.00 62.22 C ATOM 1474 CG GLN A 95 48.567 1.716 14.254 1.00 4.55 C ATOM 1475 CD GLN A 95 49.528 2.380 13.294 1.00 5.21 C ATOM 1476 OE1 GLN A 95 49.945 1.797 12.298 1.00 61.40 O ATOM 1477 NE2 GLN A 95 49.874 3.608 13.573 1.00 52.12 N ATOM 0 H GLN A 95 47.067 3.028 16.122 1.00 52.22 H new ATOM 0 HA GLN A 95 45.065 1.783 14.597 1.00 23.41 H new ATOM 0 HB2 GLN A 95 46.870 1.484 12.964 1.00 62.22 H new ATOM 0 HB3 GLN A 95 47.000 3.070 13.698 1.00 62.22 H new ATOM 0 HG2 GLN A 95 48.766 2.067 15.267 1.00 4.55 H new ATOM 0 HG3 GLN A 95 48.737 0.639 14.250 1.00 4.55 H new ATOM 0 HE21 GLN A 95 49.509 4.063 14.410 1.00 52.12 H new ATOM 0 HE22 GLN A 95 50.509 4.112 12.954 1.00 52.12 H new ATOM 1486 N GLU A 96 45.400 -0.654 14.431 1.00 72.21 N ATOM 1487 CA GLU A 96 45.442 -2.111 14.454 1.00 4.12 C ATOM 1488 C GLU A 96 46.677 -2.479 13.642 1.00 13.15 C ATOM 1489 O GLU A 96 46.666 -2.411 12.417 1.00 61.13 O ATOM 1490 CB GLU A 96 44.182 -2.686 13.808 1.00 53.32 C ATOM 1491 CG GLU A 96 42.922 -2.500 14.633 1.00 40.13 C ATOM 1492 CD GLU A 96 42.665 -3.663 15.567 1.00 14.12 C ATOM 1493 OE1 GLU A 96 43.504 -3.951 16.452 1.00 45.11 O ATOM 1494 OE2 GLU A 96 41.593 -4.297 15.456 1.00 24.20 O ATOM 0 H GLU A 96 44.739 -0.270 13.756 1.00 72.21 H new ATOM 0 HA GLU A 96 45.486 -2.509 15.468 1.00 4.12 H new ATOM 0 HB2 GLU A 96 44.039 -2.216 12.835 1.00 53.32 H new ATOM 0 HB3 GLU A 96 44.332 -3.751 13.629 1.00 53.32 H new ATOM 0 HG2 GLU A 96 43.005 -1.582 15.215 1.00 40.13 H new ATOM 0 HG3 GLU A 96 42.069 -2.379 13.965 1.00 40.13 H new ATOM 1501 N GLN A 97 47.768 -2.785 14.325 1.00 14.12 N ATOM 1502 CA GLN A 97 49.073 -2.961 13.688 1.00 21.12 C ATOM 1503 C GLN A 97 49.087 -4.050 12.614 1.00 24.32 C ATOM 1504 O GLN A 97 49.747 -3.906 11.581 1.00 70.35 O ATOM 1505 CB GLN A 97 50.100 -3.294 14.773 1.00 61.41 C ATOM 1506 CG GLN A 97 50.310 -2.161 15.783 1.00 24.04 C ATOM 1507 CD GLN A 97 51.255 -2.533 16.907 1.00 11.32 C ATOM 1508 OE1 GLN A 97 50.915 -2.389 18.078 1.00 74.43 O ATOM 1509 NE2 GLN A 97 52.432 -2.994 16.583 1.00 22.05 N ATOM 0 H GLN A 97 47.779 -2.919 15.336 1.00 14.12 H new ATOM 0 HA GLN A 97 49.317 -2.029 13.179 1.00 21.12 H new ATOM 0 HB2 GLN A 97 49.778 -4.189 15.305 1.00 61.41 H new ATOM 0 HB3 GLN A 97 51.053 -3.530 14.300 1.00 61.41 H new ATOM 0 HG2 GLN A 97 50.701 -1.287 15.263 1.00 24.04 H new ATOM 0 HG3 GLN A 97 49.347 -1.876 16.206 1.00 24.04 H new ATOM 0 HE21 GLN A 97 52.685 -3.102 15.601 1.00 22.05 H new ATOM 0 HE22 GLN A 97 53.099 -3.246 17.312 1.00 22.05 H new ATOM 1518 N THR A 98 48.351 -5.125 12.852 1.00 33.14 N ATOM 1519 CA THR A 98 48.271 -6.259 11.927 1.00 1.34 C ATOM 1520 C THR A 98 46.814 -6.609 11.637 1.00 1.32 C ATOM 1521 O THR A 98 46.489 -7.722 11.204 1.00 65.34 O ATOM 1522 CB THR A 98 48.999 -7.478 12.533 1.00 22.23 C ATOM 1523 OG1 THR A 98 48.440 -7.789 13.811 1.00 33.34 O ATOM 1524 CG2 THR A 98 50.467 -7.183 12.767 1.00 63.13 C ATOM 0 H THR A 98 47.788 -5.241 13.694 1.00 33.14 H new ATOM 0 HA THR A 98 48.753 -5.983 10.989 1.00 1.34 H new ATOM 0 HB THR A 98 48.885 -8.302 11.828 1.00 22.23 H new ATOM 0 HG1 THR A 98 48.904 -8.564 14.191 1.00 33.34 H new ATOM 0 HG21 THR A 98 50.951 -8.061 13.194 1.00 63.13 H new ATOM 0 HG22 THR A 98 50.943 -6.931 11.819 1.00 63.13 H new ATOM 0 HG23 THR A 98 50.564 -6.344 13.456 1.00 63.13 H new ATOM 1532 N GLY A 99 45.929 -5.657 11.903 1.00 40.05 N ATOM 1533 CA GLY A 99 44.501 -5.888 11.750 1.00 2.12 C ATOM 1534 C GLY A 99 43.912 -6.678 12.901 1.00 32.14 C ATOM 1535 O GLY A 99 44.581 -6.931 13.913 1.00 55.44 O ATOM 0 H GLY A 99 46.175 -4.721 12.225 1.00 40.05 H new ATOM 0 HA2 GLY A 99 43.988 -4.929 11.672 1.00 2.12 H new ATOM 0 HA3 GLY A 99 44.321 -6.423 10.817 1.00 2.12 H new ATOM 1539 N GLY A 100 42.662 -7.086 12.754 1.00 31.33 N ATOM 1540 CA GLY A 100 41.998 -7.923 13.741 1.00 52.31 C ATOM 1541 C GLY A 100 40.923 -8.754 13.084 1.00 2.34 C ATOM 1542 O GLY A 100 39.930 -9.105 13.749 1.00 2.52 O ATOM 1543 OXT GLY A 100 41.072 -9.075 11.883 1.00 1.00 O ATOM 0 H GLY A 100 42.081 -6.848 11.951 1.00 31.33 H new ATOM 0 HA2 GLY A 100 42.726 -8.574 14.225 1.00 52.31 H new ATOM 0 HA3 GLY A 100 41.560 -7.300 14.521 1.00 52.31 H new TER 1547 GLY A 100