USER MOD reduce.3.24.130724 H: found=0, std=0, add=633, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 634 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 22 LYS NZ :NH3+ 160:sc= -1.03 (180deg=-1.91!) USER MOD Set 1.2: A 51 THR OG1 : rot -104:sc= -3.09! USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 ASN : amide:sc= -19.6! C(o=-20!,f=-23!) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 SER OG : rot 180:sc= -0.0233 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0584) USER MOD Single : A 17 SER OG : rot 71:sc= -0.757 USER MOD Single : A 21 THR OG1 : rot -13:sc= 0.931 USER MOD Single : A 24 THR OG1 : rot -107:sc= 0.741 USER MOD Single : A 26 THR OG1 : rot -150:sc= -3.2! USER MOD Single : A 28 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 30 ASN : amide:sc= -16.1! C(o=-16!,f=-19!) USER MOD Single : A 31 THR OG1 : rot 180:sc= -0.123 USER MOD Single : A 33 ASN :FLIP amide:sc= 0.313 F(o=-0.6,f=0.31) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 39 GLN : amide:sc= -0.159 X(o=-0.16,f=-0.021) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 42 GLN : amide:sc= -5.05! C(o=-5!,f=-9.5!) USER MOD Single : A 43 TYR OH : rot 76:sc= -1.55 USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ -107:sc= 0.181 (180deg=0) USER MOD Single : A 47 THR OG1 : rot -62:sc= 1.16 USER MOD Single : A 48 ASN :FLIP amide:sc= -7.03! C(o=-9.6!,f=-7!) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 ASN : amide:sc= -5.06! C(o=-5.1!,f=-12!) USER MOD Single : A 59 THR OG1 : rot 87:sc= 1.29 USER MOD Single : A 63 ASN : amide:sc= -1.09 K(o=-1.1,f=-2.4!) USER MOD Single : A 64 THR OG1 : rot -78:sc= 0.962 USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ -131:sc= -1.58! (180deg=-3.39!) USER MOD Single : A 67 THR OG1 : rot 57:sc= 0.222 USER MOD Single : A 69 THR OG1 : rot 59:sc= -1.23 USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 ASN : amide:sc= -5.92! C(o=-5.9!,f=-12!) USER MOD Single : A 80 LYS NZ :NH3+ 165:sc= 1.1 (180deg=0.801) USER MOD Single : A 82 THR OG1 : rot 73:sc= 0.984 USER MOD Single : A 84 THR OG1 : rot 180:sc= -0.0255 USER MOD ----------------------------------------------------------------- ATOM 37 N ASP A 3 -5.960 17.159 -6.609 1.00 0.00 N ATOM 38 CA ASP A 3 -7.025 16.196 -6.853 1.00 0.00 C ATOM 39 C ASP A 3 -6.461 14.877 -7.375 1.00 0.00 C ATOM 40 O ASP A 3 -6.605 14.551 -8.552 1.00 0.00 O ATOM 41 CB ASP A 3 -8.033 16.762 -7.855 1.00 0.00 C ATOM 42 CG ASP A 3 -7.361 17.464 -9.018 1.00 0.00 C ATOM 43 OD1 ASP A 3 -6.207 17.105 -9.340 1.00 0.00 O ATOM 44 OD2 ASP A 3 -7.985 18.368 -9.611 1.00 0.00 O ATOM 0 HA ASP A 3 -7.530 16.005 -5.906 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -8.657 15.953 -8.234 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -8.694 17.462 -7.345 1.00 0.00 H new ATOM 49 N PRO A 4 -5.803 14.103 -6.499 1.00 0.00 N ATOM 50 CA PRO A 4 -5.212 12.820 -6.862 1.00 0.00 C ATOM 51 C PRO A 4 -6.195 11.667 -6.712 1.00 0.00 C ATOM 52 O PRO A 4 -6.920 11.587 -5.720 1.00 0.00 O ATOM 53 CB PRO A 4 -4.082 12.682 -5.848 1.00 0.00 C ATOM 54 CG PRO A 4 -4.579 13.381 -4.623 1.00 0.00 C ATOM 55 CD PRO A 4 -5.579 14.420 -5.077 1.00 0.00 C ATOM 0 HA PRO A 4 -4.893 12.787 -7.904 1.00 0.00 H new ATOM 0 HB2 PRO A 4 -3.860 11.635 -5.643 1.00 0.00 H new ATOM 0 HB3 PRO A 4 -3.162 13.136 -6.217 1.00 0.00 H new ATOM 0 HG2 PRO A 4 -5.044 12.673 -3.938 1.00 0.00 H new ATOM 0 HG3 PRO A 4 -3.754 13.849 -4.086 1.00 0.00 H new ATOM 0 HD2 PRO A 4 -6.504 14.360 -4.504 1.00 0.00 H new ATOM 0 HD3 PRO A 4 -5.190 15.430 -4.950 1.00 0.00 H new ATOM 63 N THR A 5 -6.217 10.772 -7.692 1.00 0.00 N ATOM 64 CA THR A 5 -7.120 9.627 -7.635 1.00 0.00 C ATOM 65 C THR A 5 -6.374 8.378 -7.169 1.00 0.00 C ATOM 66 O THR A 5 -5.270 8.093 -7.634 1.00 0.00 O ATOM 67 CB THR A 5 -7.802 9.395 -8.992 1.00 0.00 C ATOM 68 OG1 THR A 5 -9.211 9.464 -8.858 1.00 0.00 O ATOM 69 CG2 THR A 5 -7.473 8.061 -9.631 1.00 0.00 C ATOM 0 H THR A 5 -5.630 10.814 -8.525 1.00 0.00 H new ATOM 0 HA THR A 5 -7.902 9.844 -6.907 1.00 0.00 H new ATOM 0 HB THR A 5 -7.416 10.184 -9.637 1.00 0.00 H new ATOM 0 HG1 THR A 5 -9.630 9.316 -9.731 1.00 0.00 H new ATOM 0 HG21 THR A 5 -7.994 7.976 -10.585 1.00 0.00 H new ATOM 0 HG22 THR A 5 -6.398 7.992 -9.797 1.00 0.00 H new ATOM 0 HG23 THR A 5 -7.790 7.253 -8.971 1.00 0.00 H new ATOM 77 N ILE A 6 -6.982 7.641 -6.244 1.00 0.00 N ATOM 78 CA ILE A 6 -6.372 6.430 -5.705 1.00 0.00 C ATOM 79 C ILE A 6 -7.345 5.259 -5.716 1.00 0.00 C ATOM 80 O ILE A 6 -8.541 5.431 -5.478 1.00 0.00 O ATOM 81 CB ILE A 6 -5.894 6.648 -4.260 1.00 0.00 C ATOM 82 CG1 ILE A 6 -5.151 5.409 -3.754 1.00 0.00 C ATOM 83 CG2 ILE A 6 -7.080 6.965 -3.360 1.00 0.00 C ATOM 84 CD1 ILE A 6 -3.712 5.339 -4.217 1.00 0.00 C ATOM 0 H ILE A 6 -7.897 7.862 -5.852 1.00 0.00 H new ATOM 0 HA ILE A 6 -5.522 6.199 -6.347 1.00 0.00 H new ATOM 0 HB ILE A 6 -5.206 7.493 -4.240 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -5.175 5.400 -2.664 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -5.677 4.516 -4.092 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -6.731 7.118 -2.339 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -7.574 7.870 -3.714 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -7.786 6.135 -3.382 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -3.246 4.436 -3.822 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -3.681 5.316 -5.306 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -3.171 6.214 -3.857 1.00 0.00 H new ATOM 96 N ASN A 7 -6.826 4.068 -5.992 1.00 0.00 N ATOM 97 CA ASN A 7 -7.659 2.873 -6.025 1.00 0.00 C ATOM 98 C ASN A 7 -8.295 2.580 -4.683 1.00 0.00 C ATOM 99 O ASN A 7 -9.289 3.225 -4.351 1.00 0.00 O ATOM 100 CB ASN A 7 -6.916 1.679 -6.641 1.00 0.00 C ATOM 101 CG ASN A 7 -5.409 1.716 -6.428 1.00 0.00 C ATOM 102 OD1 ASN A 7 -4.653 1.167 -7.228 1.00 0.00 O ATOM 103 ND2 ASN A 7 -4.962 2.355 -5.353 1.00 0.00 N ATOM 0 H ASN A 7 -5.840 3.905 -6.195 1.00 0.00 H new ATOM 0 HA ASN A 7 -8.496 3.072 -6.694 1.00 0.00 H new ATOM 0 HB2 ASN A 7 -7.311 0.757 -6.214 1.00 0.00 H new ATOM 0 HB3 ASN A 7 -7.122 1.648 -7.711 1.00 0.00 H new ATOM 0 HD21 ASN A 7 -3.960 2.403 -5.168 1.00 0.00 H new ATOM 0 HD22 ASN A 7 -5.621 2.798 -4.713 1.00 0.00 H new ATOM 110 N PRO A 8 -7.828 1.625 -3.877 1.00 0.00 N ATOM 111 CA PRO A 8 -8.490 1.364 -2.638 1.00 0.00 C ATOM 112 C PRO A 8 -7.836 2.059 -1.456 1.00 0.00 C ATOM 113 O PRO A 8 -7.011 2.957 -1.630 1.00 0.00 O ATOM 114 CB PRO A 8 -8.353 -0.127 -2.533 1.00 0.00 C ATOM 115 CG PRO A 8 -7.018 -0.431 -3.125 1.00 0.00 C ATOM 116 CD PRO A 8 -6.690 0.701 -4.062 1.00 0.00 C ATOM 0 HA PRO A 8 -9.516 1.732 -2.618 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -8.410 -0.457 -1.496 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -9.151 -0.636 -3.074 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -6.261 -0.520 -2.346 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -7.039 -1.381 -3.659 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -5.741 1.173 -3.808 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -6.610 0.360 -5.094 1.00 0.00 H new ATOM 124 N THR A 9 -8.213 1.649 -0.252 1.00 0.00 N ATOM 125 CA THR A 9 -7.661 2.247 0.946 1.00 0.00 C ATOM 126 C THR A 9 -7.427 1.219 2.051 1.00 0.00 C ATOM 127 O THR A 9 -6.904 1.562 3.112 1.00 0.00 O ATOM 128 CB THR A 9 -8.590 3.352 1.454 1.00 0.00 C ATOM 129 OG1 THR A 9 -8.676 4.407 0.512 1.00 0.00 O ATOM 130 CG2 THR A 9 -8.144 3.951 2.772 1.00 0.00 C ATOM 0 H THR A 9 -8.895 0.909 -0.084 1.00 0.00 H new ATOM 0 HA THR A 9 -6.692 2.669 0.681 1.00 0.00 H new ATOM 0 HB THR A 9 -9.557 2.871 1.600 1.00 0.00 H new ATOM 0 HG1 THR A 9 -9.275 5.103 0.854 1.00 0.00 H new ATOM 0 HG21 THR A 9 -8.846 4.728 3.075 1.00 0.00 H new ATOM 0 HG22 THR A 9 -8.114 3.172 3.534 1.00 0.00 H new ATOM 0 HG23 THR A 9 -7.151 4.385 2.657 1.00 0.00 H new ATOM 138 N SER A 10 -7.806 -0.034 1.822 1.00 0.00 N ATOM 139 CA SER A 10 -7.608 -1.054 2.845 1.00 0.00 C ATOM 140 C SER A 10 -7.885 -2.469 2.340 1.00 0.00 C ATOM 141 O SER A 10 -8.814 -2.701 1.563 1.00 0.00 O ATOM 142 CB SER A 10 -8.496 -0.760 4.055 1.00 0.00 C ATOM 143 OG SER A 10 -9.650 -0.031 3.674 1.00 0.00 O ATOM 0 H SER A 10 -8.241 -0.362 0.960 1.00 0.00 H new ATOM 0 HA SER A 10 -6.556 -1.014 3.127 1.00 0.00 H new ATOM 0 HB2 SER A 10 -8.793 -1.696 4.528 1.00 0.00 H new ATOM 0 HB3 SER A 10 -7.932 -0.193 4.795 1.00 0.00 H new ATOM 0 HG SER A 10 -10.202 0.143 4.464 1.00 0.00 H new ATOM 149 N ILE A 11 -7.079 -3.411 2.822 1.00 0.00 N ATOM 150 CA ILE A 11 -7.215 -4.819 2.476 1.00 0.00 C ATOM 151 C ILE A 11 -6.593 -5.685 3.570 1.00 0.00 C ATOM 152 O ILE A 11 -5.928 -5.171 4.470 1.00 0.00 O ATOM 153 CB ILE A 11 -6.553 -5.149 1.129 1.00 0.00 C ATOM 154 CG1 ILE A 11 -5.176 -4.492 1.025 1.00 0.00 C ATOM 155 CG2 ILE A 11 -7.445 -4.711 -0.021 1.00 0.00 C ATOM 156 CD1 ILE A 11 -4.543 -4.639 -0.338 1.00 0.00 C ATOM 0 H ILE A 11 -6.312 -3.217 3.465 1.00 0.00 H new ATOM 0 HA ILE A 11 -8.281 -5.031 2.388 1.00 0.00 H new ATOM 0 HB ILE A 11 -6.417 -6.229 1.069 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -5.268 -3.432 1.262 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -4.515 -4.930 1.773 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -6.962 -4.952 -0.968 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -8.401 -5.231 0.041 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -7.613 -3.636 0.038 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -3.569 -4.150 -0.341 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -4.419 -5.697 -0.569 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -5.184 -4.176 -1.089 1.00 0.00 H new ATOM 168 N SER A 12 -6.811 -6.996 3.499 1.00 0.00 N ATOM 169 CA SER A 12 -6.264 -7.909 4.498 1.00 0.00 C ATOM 170 C SER A 12 -5.783 -9.209 3.859 1.00 0.00 C ATOM 171 O SER A 12 -6.433 -9.747 2.963 1.00 0.00 O ATOM 172 CB SER A 12 -7.314 -8.214 5.569 1.00 0.00 C ATOM 173 OG SER A 12 -8.516 -7.505 5.323 1.00 0.00 O ATOM 0 H SER A 12 -7.358 -7.447 2.766 1.00 0.00 H new ATOM 0 HA SER A 12 -5.407 -7.420 4.961 1.00 0.00 H new ATOM 0 HB2 SER A 12 -7.517 -9.285 5.588 1.00 0.00 H new ATOM 0 HB3 SER A 12 -6.925 -7.946 6.551 1.00 0.00 H new ATOM 0 HG SER A 12 -9.170 -7.719 6.020 1.00 0.00 H new ATOM 179 N ALA A 13 -4.639 -9.706 4.327 1.00 0.00 N ATOM 180 CA ALA A 13 -4.074 -10.939 3.798 1.00 0.00 C ATOM 181 C ALA A 13 -2.896 -11.419 4.645 1.00 0.00 C ATOM 182 O ALA A 13 -2.167 -10.617 5.228 1.00 0.00 O ATOM 183 CB ALA A 13 -3.641 -10.734 2.355 1.00 0.00 C ATOM 0 H ALA A 13 -4.089 -9.273 5.069 1.00 0.00 H new ATOM 0 HA ALA A 13 -4.844 -11.709 3.834 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -3.219 -11.661 1.966 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -4.504 -10.448 1.753 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -2.889 -9.946 2.309 1.00 0.00 H new ATOM 189 N LYS A 14 -2.709 -12.732 4.694 1.00 0.00 N ATOM 190 CA LYS A 14 -1.607 -13.322 5.449 1.00 0.00 C ATOM 191 C LYS A 14 -0.287 -13.013 4.750 1.00 0.00 C ATOM 192 O LYS A 14 -0.254 -12.854 3.526 1.00 0.00 O ATOM 193 CB LYS A 14 -1.801 -14.837 5.579 1.00 0.00 C ATOM 194 CG LYS A 14 -0.560 -15.577 6.049 1.00 0.00 C ATOM 195 CD LYS A 14 0.111 -16.312 4.903 1.00 0.00 C ATOM 196 CE LYS A 14 -0.601 -17.610 4.571 1.00 0.00 C ATOM 197 NZ LYS A 14 -0.334 -18.669 5.586 1.00 0.00 N ATOM 0 H LYS A 14 -3.306 -13.410 4.220 1.00 0.00 H new ATOM 0 HA LYS A 14 -1.589 -12.893 6.451 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -2.615 -15.031 6.278 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -2.108 -15.239 4.613 1.00 0.00 H new ATOM 0 HG2 LYS A 14 0.142 -14.870 6.491 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -0.831 -16.287 6.830 1.00 0.00 H new ATOM 0 HD2 LYS A 14 0.128 -15.671 4.021 1.00 0.00 H new ATOM 0 HD3 LYS A 14 1.148 -16.523 5.164 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -1.674 -17.429 4.509 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -0.280 -17.959 3.590 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -0.710 -19.577 5.247 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 0.691 -18.754 5.738 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -0.797 -18.416 6.482 1.00 0.00 H new ATOM 211 N ALA A 15 0.796 -12.922 5.505 1.00 0.00 N ATOM 212 CA ALA A 15 2.081 -12.624 4.899 1.00 0.00 C ATOM 213 C ALA A 15 2.480 -13.716 3.936 1.00 0.00 C ATOM 214 O ALA A 15 2.872 -14.816 4.325 1.00 0.00 O ATOM 215 CB ALA A 15 3.159 -12.392 5.948 1.00 0.00 C ATOM 0 H ALA A 15 0.812 -13.047 6.517 1.00 0.00 H new ATOM 0 HA ALA A 15 1.976 -11.695 4.338 1.00 0.00 H new ATOM 0 HB1 ALA A 15 4.106 -12.172 5.454 1.00 0.00 H new ATOM 0 HB2 ALA A 15 2.876 -11.551 6.581 1.00 0.00 H new ATOM 0 HB3 ALA A 15 3.269 -13.287 6.561 1.00 0.00 H new ATOM 221 N GLY A 16 2.336 -13.391 2.671 1.00 0.00 N ATOM 222 CA GLY A 16 2.630 -14.314 1.610 1.00 0.00 C ATOM 223 C GLY A 16 1.493 -14.338 0.629 1.00 0.00 C ATOM 224 O GLY A 16 1.692 -14.328 -0.575 1.00 0.00 O ATOM 0 H GLY A 16 2.011 -12.478 2.354 1.00 0.00 H new ATOM 0 HA2 GLY A 16 3.551 -14.022 1.106 1.00 0.00 H new ATOM 0 HA3 GLY A 16 2.792 -15.312 2.018 1.00 0.00 H new ATOM 228 N SER A 17 0.276 -14.302 1.159 1.00 0.00 N ATOM 229 CA SER A 17 -0.898 -14.275 0.330 1.00 0.00 C ATOM 230 C SER A 17 -1.000 -12.930 -0.374 1.00 0.00 C ATOM 231 O SER A 17 -2.017 -12.598 -0.980 1.00 0.00 O ATOM 232 CB SER A 17 -2.120 -14.505 1.210 1.00 0.00 C ATOM 233 OG SER A 17 -1.771 -14.486 2.584 1.00 0.00 O ATOM 0 H SER A 17 0.088 -14.291 2.161 1.00 0.00 H new ATOM 0 HA SER A 17 -0.841 -15.057 -0.427 1.00 0.00 H new ATOM 0 HB2 SER A 17 -2.866 -13.735 1.010 1.00 0.00 H new ATOM 0 HB3 SER A 17 -2.576 -15.463 0.961 1.00 0.00 H new ATOM 0 HG SER A 17 -1.544 -13.571 2.851 1.00 0.00 H new ATOM 239 N PHE A 18 0.067 -12.160 -0.278 1.00 0.00 N ATOM 240 CA PHE A 18 0.128 -10.855 -0.873 1.00 0.00 C ATOM 241 C PHE A 18 0.836 -10.906 -2.207 1.00 0.00 C ATOM 242 O PHE A 18 1.988 -10.504 -2.318 1.00 0.00 O ATOM 243 CB PHE A 18 0.880 -9.935 0.061 1.00 0.00 C ATOM 244 CG PHE A 18 0.091 -9.532 1.270 1.00 0.00 C ATOM 245 CD1 PHE A 18 -1.073 -8.799 1.143 1.00 0.00 C ATOM 246 CD2 PHE A 18 0.522 -9.888 2.538 1.00 0.00 C ATOM 247 CE1 PHE A 18 -1.798 -8.429 2.260 1.00 0.00 C ATOM 248 CE2 PHE A 18 -0.192 -9.520 3.656 1.00 0.00 C ATOM 249 CZ PHE A 18 -1.356 -8.791 3.518 1.00 0.00 C ATOM 0 H PHE A 18 0.916 -12.431 0.219 1.00 0.00 H new ATOM 0 HA PHE A 18 -0.885 -10.488 -1.037 1.00 0.00 H new ATOM 0 HB2 PHE A 18 1.797 -10.429 0.384 1.00 0.00 H new ATOM 0 HB3 PHE A 18 1.176 -9.039 -0.485 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -1.420 -8.512 0.161 1.00 0.00 H new ATOM 0 HD2 PHE A 18 1.430 -10.462 2.651 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -2.708 -7.858 2.150 1.00 0.00 H new ATOM 0 HE2 PHE A 18 0.158 -9.801 4.638 1.00 0.00 H new ATOM 0 HZ PHE A 18 -1.921 -8.504 4.393 1.00 0.00 H new ATOM 259 N ALA A 19 0.143 -11.390 -3.214 1.00 0.00 N ATOM 260 CA ALA A 19 0.728 -11.481 -4.542 1.00 0.00 C ATOM 261 C ALA A 19 0.936 -10.087 -5.112 1.00 0.00 C ATOM 262 O ALA A 19 0.271 -9.139 -4.697 1.00 0.00 O ATOM 263 CB ALA A 19 -0.155 -12.309 -5.460 1.00 0.00 C ATOM 0 H ALA A 19 -0.818 -11.725 -3.145 1.00 0.00 H new ATOM 0 HA ALA A 19 1.695 -11.977 -4.467 1.00 0.00 H new ATOM 0 HB1 ALA A 19 0.300 -12.365 -6.449 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -0.262 -13.314 -5.052 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -1.137 -11.842 -5.538 1.00 0.00 H new ATOM 269 N ASP A 20 1.872 -9.958 -6.052 1.00 0.00 N ATOM 270 CA ASP A 20 2.175 -8.664 -6.662 1.00 0.00 C ATOM 271 C ASP A 20 0.912 -7.819 -6.775 1.00 0.00 C ATOM 272 O ASP A 20 0.006 -8.141 -7.538 1.00 0.00 O ATOM 273 CB ASP A 20 2.798 -8.859 -8.043 1.00 0.00 C ATOM 274 CG ASP A 20 3.279 -7.557 -8.651 1.00 0.00 C ATOM 275 OD1 ASP A 20 3.122 -6.504 -7.998 1.00 0.00 O ATOM 276 OD2 ASP A 20 3.809 -7.589 -9.783 1.00 0.00 O ATOM 0 H ASP A 20 2.433 -10.733 -6.407 1.00 0.00 H new ATOM 0 HA ASP A 20 2.889 -8.143 -6.024 1.00 0.00 H new ATOM 0 HB2 ASP A 20 3.636 -9.552 -7.966 1.00 0.00 H new ATOM 0 HB3 ASP A 20 2.066 -9.318 -8.707 1.00 0.00 H new ATOM 281 N THR A 21 0.857 -6.747 -5.992 1.00 0.00 N ATOM 282 CA THR A 21 -0.303 -5.870 -5.993 1.00 0.00 C ATOM 283 C THR A 21 0.047 -4.487 -6.513 1.00 0.00 C ATOM 284 O THR A 21 0.764 -3.733 -5.861 1.00 0.00 O ATOM 285 CB THR A 21 -0.886 -5.762 -4.583 1.00 0.00 C ATOM 286 OG1 THR A 21 -0.878 -7.022 -3.939 1.00 0.00 O ATOM 287 CG2 THR A 21 -2.309 -5.245 -4.561 1.00 0.00 C ATOM 0 H THR A 21 1.600 -6.467 -5.352 1.00 0.00 H new ATOM 0 HA THR A 21 -1.047 -6.305 -6.660 1.00 0.00 H new ATOM 0 HB THR A 21 -0.249 -5.048 -4.062 1.00 0.00 H new ATOM 0 HG1 THR A 21 -0.704 -7.725 -4.599 1.00 0.00 H new ATOM 0 HG21 THR A 21 -2.661 -5.193 -3.531 1.00 0.00 H new ATOM 0 HG22 THR A 21 -2.342 -4.251 -5.006 1.00 0.00 H new ATOM 0 HG23 THR A 21 -2.950 -5.919 -5.130 1.00 0.00 H new ATOM 295 N LYS A 22 -0.456 -4.156 -7.691 1.00 0.00 N ATOM 296 CA LYS A 22 -0.191 -2.870 -8.290 1.00 0.00 C ATOM 297 C LYS A 22 -1.319 -1.890 -8.004 1.00 0.00 C ATOM 298 O LYS A 22 -2.500 -2.239 -8.051 1.00 0.00 O ATOM 299 CB LYS A 22 0.014 -3.007 -9.793 1.00 0.00 C ATOM 300 CG LYS A 22 0.254 -1.684 -10.500 1.00 0.00 C ATOM 301 CD LYS A 22 0.520 -1.885 -11.982 1.00 0.00 C ATOM 302 CE LYS A 22 2.000 -2.101 -12.257 1.00 0.00 C ATOM 303 NZ LYS A 22 2.471 -3.419 -11.748 1.00 0.00 N ATOM 0 H LYS A 22 -1.052 -4.767 -8.249 1.00 0.00 H new ATOM 0 HA LYS A 22 0.725 -2.480 -7.845 1.00 0.00 H new ATOM 0 HB2 LYS A 22 0.863 -3.666 -9.976 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -0.862 -3.487 -10.228 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -0.614 -1.038 -10.369 1.00 0.00 H new ATOM 0 HG3 LYS A 22 1.102 -1.175 -10.043 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -0.047 -2.743 -12.342 1.00 0.00 H new ATOM 0 HD3 LYS A 22 0.169 -1.015 -12.537 1.00 0.00 H new ATOM 0 HE2 LYS A 22 2.183 -2.039 -13.330 1.00 0.00 H new ATOM 0 HE3 LYS A 22 2.577 -1.303 -11.789 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 3.355 -3.682 -12.230 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 2.641 -3.355 -10.724 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 1.747 -4.142 -11.934 1.00 0.00 H new ATOM 317 N ILE A 23 -0.934 -0.663 -7.706 1.00 0.00 N ATOM 318 CA ILE A 23 -1.881 0.391 -7.402 1.00 0.00 C ATOM 319 C ILE A 23 -1.775 1.516 -8.431 1.00 0.00 C ATOM 320 O ILE A 23 -0.740 1.678 -9.079 1.00 0.00 O ATOM 321 CB ILE A 23 -1.653 0.938 -5.980 1.00 0.00 C ATOM 322 CG1 ILE A 23 -2.667 0.315 -5.021 1.00 0.00 C ATOM 323 CG2 ILE A 23 -1.726 2.463 -5.943 1.00 0.00 C ATOM 324 CD1 ILE A 23 -2.743 0.995 -3.672 1.00 0.00 C ATOM 0 H ILE A 23 0.042 -0.370 -7.668 1.00 0.00 H new ATOM 0 HA ILE A 23 -2.886 -0.029 -7.448 1.00 0.00 H new ATOM 0 HB ILE A 23 -0.647 0.662 -5.662 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -3.653 0.342 -5.485 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -2.413 -0.734 -4.873 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -1.560 2.811 -4.923 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -0.961 2.880 -6.597 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -2.710 2.789 -6.282 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -3.485 0.492 -3.052 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -1.769 0.945 -3.184 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -3.029 2.038 -3.806 1.00 0.00 H new ATOM 336 N THR A 24 -2.846 2.287 -8.580 1.00 0.00 N ATOM 337 CA THR A 24 -2.859 3.386 -9.536 1.00 0.00 C ATOM 338 C THR A 24 -3.104 4.715 -8.836 1.00 0.00 C ATOM 339 O THR A 24 -4.185 4.956 -8.296 1.00 0.00 O ATOM 340 CB THR A 24 -3.933 3.153 -10.598 1.00 0.00 C ATOM 341 OG1 THR A 24 -3.859 1.830 -11.101 1.00 0.00 O ATOM 342 CG2 THR A 24 -3.824 4.099 -11.776 1.00 0.00 C ATOM 0 H THR A 24 -3.712 2.172 -8.054 1.00 0.00 H new ATOM 0 HA THR A 24 -1.882 3.425 -10.018 1.00 0.00 H new ATOM 0 HB THR A 24 -4.883 3.333 -10.095 1.00 0.00 H new ATOM 0 HG1 THR A 24 -3.483 1.845 -12.006 1.00 0.00 H new ATOM 0 HG21 THR A 24 -4.615 3.880 -12.493 1.00 0.00 H new ATOM 0 HG22 THR A 24 -3.924 5.127 -11.428 1.00 0.00 H new ATOM 0 HG23 THR A 24 -2.854 3.972 -12.256 1.00 0.00 H new ATOM 350 N LEU A 25 -2.098 5.584 -8.854 1.00 0.00 N ATOM 351 CA LEU A 25 -2.212 6.893 -8.230 1.00 0.00 C ATOM 352 C LEU A 25 -2.289 7.972 -9.301 1.00 0.00 C ATOM 353 O LEU A 25 -1.272 8.383 -9.860 1.00 0.00 O ATOM 354 CB LEU A 25 -1.021 7.133 -7.307 1.00 0.00 C ATOM 355 CG LEU A 25 -1.371 7.257 -5.831 1.00 0.00 C ATOM 356 CD1 LEU A 25 -0.108 7.258 -4.987 1.00 0.00 C ATOM 357 CD2 LEU A 25 -2.191 8.512 -5.581 1.00 0.00 C ATOM 0 H LEU A 25 -1.196 5.403 -9.294 1.00 0.00 H new ATOM 0 HA LEU A 25 -3.124 6.931 -7.635 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -0.313 6.313 -7.430 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -0.512 8.044 -7.623 1.00 0.00 H new ATOM 0 HG LEU A 25 -1.974 6.396 -5.542 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -0.374 7.347 -3.934 1.00 0.00 H new ATOM 0 HD12 LEU A 25 0.437 6.327 -5.146 1.00 0.00 H new ATOM 0 HD13 LEU A 25 0.521 8.100 -5.275 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -2.432 8.584 -4.520 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -1.617 9.388 -5.883 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -3.113 8.465 -6.160 1.00 0.00 H new ATOM 369 N THR A 26 -3.508 8.415 -9.600 1.00 0.00 N ATOM 370 CA THR A 26 -3.722 9.428 -10.623 1.00 0.00 C ATOM 371 C THR A 26 -3.191 10.787 -10.176 1.00 0.00 C ATOM 372 O THR A 26 -3.729 11.403 -9.250 1.00 0.00 O ATOM 373 CB THR A 26 -5.204 9.538 -10.960 1.00 0.00 C ATOM 374 OG1 THR A 26 -5.675 8.336 -11.548 1.00 0.00 O ATOM 375 CG2 THR A 26 -5.523 10.669 -11.914 1.00 0.00 C ATOM 0 H THR A 26 -4.361 8.087 -9.147 1.00 0.00 H new ATOM 0 HA THR A 26 -3.173 9.121 -11.513 1.00 0.00 H new ATOM 0 HB THR A 26 -5.700 9.737 -10.010 1.00 0.00 H new ATOM 0 HG1 THR A 26 -6.409 8.539 -12.165 1.00 0.00 H new ATOM 0 HG21 THR A 26 -6.595 10.688 -12.110 1.00 0.00 H new ATOM 0 HG22 THR A 26 -5.218 11.617 -11.470 1.00 0.00 H new ATOM 0 HG23 THR A 26 -4.986 10.518 -12.850 1.00 0.00 H new ATOM 383 N PRO A 27 -2.124 11.257 -10.849 1.00 0.00 N ATOM 384 CA PRO A 27 -1.462 12.538 -10.584 1.00 0.00 C ATOM 385 C PRO A 27 -1.948 13.619 -11.518 1.00 0.00 C ATOM 386 O PRO A 27 -1.317 14.666 -11.666 1.00 0.00 O ATOM 387 CB PRO A 27 -0.053 12.194 -10.960 1.00 0.00 C ATOM 388 CG PRO A 27 -0.279 11.486 -12.238 1.00 0.00 C ATOM 389 CD PRO A 27 -1.446 10.571 -11.968 1.00 0.00 C ATOM 0 HA PRO A 27 -1.623 12.911 -9.572 1.00 0.00 H new ATOM 0 HB2 PRO A 27 0.571 13.079 -11.082 1.00 0.00 H new ATOM 0 HB3 PRO A 27 0.432 11.562 -10.216 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -0.502 12.185 -13.044 1.00 0.00 H new ATOM 0 HG3 PRO A 27 0.604 10.923 -12.540 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -2.095 10.471 -12.838 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -1.122 9.567 -11.694 1.00 0.00 H new ATOM 397 N ASN A 28 -3.050 13.325 -12.174 1.00 0.00 N ATOM 398 CA ASN A 28 -3.661 14.213 -13.143 1.00 0.00 C ATOM 399 C ASN A 28 -3.552 15.673 -12.727 1.00 0.00 C ATOM 400 O ASN A 28 -3.745 16.587 -13.531 1.00 0.00 O ATOM 401 CB ASN A 28 -5.128 13.843 -13.287 1.00 0.00 C ATOM 402 CG ASN A 28 -5.629 13.966 -14.712 1.00 0.00 C ATOM 403 OD1 ASN A 28 -6.045 15.041 -15.145 1.00 0.00 O ATOM 404 ND2 ASN A 28 -5.593 12.864 -15.449 1.00 0.00 N ATOM 0 H ASN A 28 -3.556 12.448 -12.048 1.00 0.00 H new ATOM 0 HA ASN A 28 -3.133 14.098 -14.090 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -5.275 12.819 -12.942 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -5.725 14.486 -12.640 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -5.918 12.886 -16.416 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -5.240 11.994 -15.049 1.00 0.00 H new ATOM 411 N GLY A 29 -3.229 15.863 -11.471 1.00 0.00 N ATOM 412 CA GLY A 29 -3.068 17.197 -10.919 1.00 0.00 C ATOM 413 C GLY A 29 -2.273 17.180 -9.628 1.00 0.00 C ATOM 414 O GLY A 29 -2.279 18.147 -8.868 1.00 0.00 O ATOM 0 H GLY A 29 -3.070 15.108 -10.803 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -2.565 17.833 -11.647 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -4.049 17.636 -10.736 1.00 0.00 H new ATOM 418 N ASN A 30 -1.610 16.057 -9.374 1.00 0.00 N ATOM 419 CA ASN A 30 -0.832 15.869 -8.175 1.00 0.00 C ATOM 420 C ASN A 30 0.459 15.128 -8.477 1.00 0.00 C ATOM 421 O ASN A 30 0.657 14.623 -9.581 1.00 0.00 O ATOM 422 CB ASN A 30 -1.660 15.078 -7.176 1.00 0.00 C ATOM 423 CG ASN A 30 -3.152 15.160 -7.461 1.00 0.00 C ATOM 424 OD1 ASN A 30 -3.907 15.744 -6.685 1.00 0.00 O ATOM 425 ND2 ASN A 30 -3.585 14.575 -8.577 1.00 0.00 N ATOM 0 H ASN A 30 -1.603 15.254 -10.002 1.00 0.00 H new ATOM 0 HA ASN A 30 -0.572 16.843 -7.761 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -1.347 14.034 -7.195 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -1.464 15.451 -6.171 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -4.577 14.601 -8.815 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -2.925 14.101 -9.193 1.00 0.00 H new ATOM 432 N THR A 31 1.334 15.058 -7.482 1.00 0.00 N ATOM 433 CA THR A 31 2.608 14.374 -7.629 1.00 0.00 C ATOM 434 C THR A 31 2.786 13.336 -6.526 1.00 0.00 C ATOM 435 O THR A 31 2.148 13.417 -5.477 1.00 0.00 O ATOM 436 CB THR A 31 3.763 15.377 -7.593 1.00 0.00 C ATOM 437 OG1 THR A 31 5.008 14.705 -7.583 1.00 0.00 O ATOM 438 CG2 THR A 31 3.723 16.292 -6.387 1.00 0.00 C ATOM 0 H THR A 31 1.182 15.469 -6.561 1.00 0.00 H new ATOM 0 HA THR A 31 2.614 13.867 -8.594 1.00 0.00 H new ATOM 0 HB THR A 31 3.649 15.983 -8.492 1.00 0.00 H new ATOM 0 HG1 THR A 31 5.734 15.362 -7.562 1.00 0.00 H new ATOM 0 HG21 THR A 31 4.569 16.978 -6.423 1.00 0.00 H new ATOM 0 HG22 THR A 31 2.794 16.861 -6.393 1.00 0.00 H new ATOM 0 HG23 THR A 31 3.777 15.696 -5.476 1.00 0.00 H new ATOM 446 N PHE A 32 3.655 12.365 -6.772 1.00 0.00 N ATOM 447 CA PHE A 32 3.917 11.308 -5.798 1.00 0.00 C ATOM 448 C PHE A 32 5.365 11.356 -5.323 1.00 0.00 C ATOM 449 O PHE A 32 6.292 11.459 -6.127 1.00 0.00 O ATOM 450 CB PHE A 32 3.614 9.937 -6.407 1.00 0.00 C ATOM 451 CG PHE A 32 3.840 8.790 -5.457 1.00 0.00 C ATOM 452 CD1 PHE A 32 3.705 8.963 -4.091 1.00 0.00 C ATOM 453 CD2 PHE A 32 4.191 7.542 -5.942 1.00 0.00 C ATOM 454 CE1 PHE A 32 3.916 7.909 -3.224 1.00 0.00 C ATOM 455 CE2 PHE A 32 4.404 6.485 -5.081 1.00 0.00 C ATOM 456 CZ PHE A 32 4.266 6.670 -3.720 1.00 0.00 C ATOM 0 H PHE A 32 4.191 12.285 -7.636 1.00 0.00 H new ATOM 0 HA PHE A 32 3.265 11.469 -4.940 1.00 0.00 H new ATOM 0 HB2 PHE A 32 2.577 9.920 -6.744 1.00 0.00 H new ATOM 0 HB3 PHE A 32 4.238 9.795 -7.289 1.00 0.00 H new ATOM 0 HD1 PHE A 32 3.432 9.932 -3.699 1.00 0.00 H new ATOM 0 HD2 PHE A 32 4.299 7.394 -7.006 1.00 0.00 H new ATOM 0 HE1 PHE A 32 3.807 8.054 -2.159 1.00 0.00 H new ATOM 0 HE2 PHE A 32 4.678 5.516 -5.471 1.00 0.00 H new ATOM 0 HZ PHE A 32 4.432 5.845 -3.043 1.00 0.00 H new ATOM 466 N ASN A 33 5.553 11.281 -4.010 1.00 0.00 N ATOM 467 CA ASN A 33 6.876 11.319 -3.419 1.00 0.00 C ATOM 468 C ASN A 33 7.334 9.918 -3.021 1.00 0.00 C ATOM 469 O ASN A 33 8.488 9.547 -3.227 1.00 0.00 O ATOM 470 CB ASN A 33 6.859 12.229 -2.193 1.00 0.00 C ATOM 471 CG ASN A 33 7.133 13.679 -2.538 1.00 0.00 C ATOM 472 OD1 ASN A 33 8.156 13.914 -3.350 1.00 0.00 O flip ATOM 473 ND2 ASN A 33 6.433 14.580 -2.080 1.00 0.00 N flip ATOM 0 H ASN A 33 4.795 11.193 -3.333 1.00 0.00 H new ATOM 0 HA ASN A 33 7.577 11.710 -4.156 1.00 0.00 H new ATOM 0 HB2 ASN A 33 5.888 12.153 -1.703 1.00 0.00 H new ATOM 0 HB3 ASN A 33 7.605 11.883 -1.478 1.00 0.00 H new ATOM 0 HD21 ASN A 33 5.656 14.356 -1.459 1.00 0.00 H new ATOM 0 HD22 ASN A 33 6.630 15.551 -2.321 1.00 0.00 H new ATOM 480 N GLY A 34 6.418 9.147 -2.444 1.00 0.00 N ATOM 481 CA GLY A 34 6.739 7.797 -2.019 1.00 0.00 C ATOM 482 C GLY A 34 6.020 7.413 -0.739 1.00 0.00 C ATOM 483 O GLY A 34 5.487 8.275 -0.041 1.00 0.00 O ATOM 0 H GLY A 34 5.456 9.434 -2.263 1.00 0.00 H new ATOM 0 HA2 GLY A 34 6.470 7.096 -2.809 1.00 0.00 H new ATOM 0 HA3 GLY A 34 7.815 7.711 -1.869 1.00 0.00 H new ATOM 487 N ILE A 35 6.004 6.120 -0.428 1.00 0.00 N ATOM 488 CA ILE A 35 5.342 5.641 0.776 1.00 0.00 C ATOM 489 C ILE A 35 6.350 5.324 1.871 1.00 0.00 C ATOM 490 O ILE A 35 6.900 4.223 1.929 1.00 0.00 O ATOM 491 CB ILE A 35 4.506 4.381 0.513 1.00 0.00 C ATOM 492 CG1 ILE A 35 3.843 4.455 -0.853 1.00 0.00 C ATOM 493 CG2 ILE A 35 3.463 4.202 1.604 1.00 0.00 C ATOM 494 CD1 ILE A 35 3.256 3.143 -1.318 1.00 0.00 C ATOM 0 H ILE A 35 6.440 5.390 -0.991 1.00 0.00 H new ATOM 0 HA ILE A 35 4.683 6.447 1.098 1.00 0.00 H new ATOM 0 HB ILE A 35 5.170 3.517 0.524 1.00 0.00 H new ATOM 0 HG12 ILE A 35 3.053 5.205 -0.823 1.00 0.00 H new ATOM 0 HG13 ILE A 35 4.577 4.794 -1.585 1.00 0.00 H new ATOM 0 HG21 ILE A 35 2.878 3.304 1.404 1.00 0.00 H new ATOM 0 HG22 ILE A 35 3.959 4.104 2.569 1.00 0.00 H new ATOM 0 HG23 ILE A 35 2.803 5.069 1.622 1.00 0.00 H new ATOM 0 HD11 ILE A 35 2.801 3.276 -2.300 1.00 0.00 H new ATOM 0 HD12 ILE A 35 4.045 2.394 -1.382 1.00 0.00 H new ATOM 0 HD13 ILE A 35 2.498 2.812 -0.608 1.00 0.00 H new ATOM 506 N SER A 36 6.565 6.285 2.752 1.00 0.00 N ATOM 507 CA SER A 36 7.492 6.100 3.865 1.00 0.00 C ATOM 508 C SER A 36 6.944 5.052 4.809 1.00 0.00 C ATOM 509 O SER A 36 7.698 4.372 5.506 1.00 0.00 O ATOM 510 CB SER A 36 7.729 7.417 4.603 1.00 0.00 C ATOM 511 OG SER A 36 8.229 7.188 5.909 1.00 0.00 O ATOM 0 H SER A 36 6.114 7.200 2.723 1.00 0.00 H new ATOM 0 HA SER A 36 8.451 5.763 3.472 1.00 0.00 H new ATOM 0 HB2 SER A 36 8.435 8.029 4.042 1.00 0.00 H new ATOM 0 HB3 SER A 36 6.796 7.978 4.661 1.00 0.00 H new ATOM 0 HG SER A 36 8.373 8.046 6.359 1.00 0.00 H new ATOM 517 N GLU A 37 5.627 4.879 4.788 1.00 0.00 N ATOM 518 CA GLU A 37 4.992 3.866 5.598 1.00 0.00 C ATOM 519 C GLU A 37 5.737 2.561 5.369 1.00 0.00 C ATOM 520 O GLU A 37 5.831 1.702 6.248 1.00 0.00 O ATOM 521 CB GLU A 37 3.534 3.735 5.181 1.00 0.00 C ATOM 522 CG GLU A 37 2.581 3.449 6.326 1.00 0.00 C ATOM 523 CD GLU A 37 1.227 4.094 6.112 1.00 0.00 C ATOM 524 OE1 GLU A 37 0.822 4.239 4.937 1.00 0.00 O ATOM 525 OE2 GLU A 37 0.576 4.455 7.114 1.00 0.00 O ATOM 0 H GLU A 37 4.986 5.430 4.217 1.00 0.00 H new ATOM 0 HA GLU A 37 5.022 4.127 6.656 1.00 0.00 H new ATOM 0 HB2 GLU A 37 3.225 4.657 4.688 1.00 0.00 H new ATOM 0 HB3 GLU A 37 3.449 2.936 4.445 1.00 0.00 H new ATOM 0 HG2 GLU A 37 2.456 2.371 6.433 1.00 0.00 H new ATOM 0 HG3 GLU A 37 3.013 3.814 7.257 1.00 0.00 H new ATOM 532 N LEU A 38 6.284 2.453 4.161 1.00 0.00 N ATOM 533 CA LEU A 38 7.056 1.308 3.743 1.00 0.00 C ATOM 534 C LEU A 38 8.081 1.751 2.699 1.00 0.00 C ATOM 535 O LEU A 38 7.734 1.984 1.542 1.00 0.00 O ATOM 536 CB LEU A 38 6.138 0.233 3.169 1.00 0.00 C ATOM 537 CG LEU A 38 4.916 0.756 2.412 1.00 0.00 C ATOM 538 CD1 LEU A 38 5.176 0.768 0.916 1.00 0.00 C ATOM 539 CD2 LEU A 38 3.693 -0.083 2.736 1.00 0.00 C ATOM 0 H LEU A 38 6.197 3.172 3.443 1.00 0.00 H new ATOM 0 HA LEU A 38 7.577 0.885 4.602 1.00 0.00 H new ATOM 0 HB2 LEU A 38 6.720 -0.397 2.496 1.00 0.00 H new ATOM 0 HB3 LEU A 38 5.795 -0.403 3.985 1.00 0.00 H new ATOM 0 HG LEU A 38 4.726 1.781 2.732 1.00 0.00 H new ATOM 0 HD11 LEU A 38 4.294 1.143 0.396 1.00 0.00 H new ATOM 0 HD12 LEU A 38 6.027 1.414 0.700 1.00 0.00 H new ATOM 0 HD13 LEU A 38 5.394 -0.245 0.576 1.00 0.00 H new ATOM 0 HD21 LEU A 38 2.832 0.302 2.189 1.00 0.00 H new ATOM 0 HD22 LEU A 38 3.874 -1.118 2.445 1.00 0.00 H new ATOM 0 HD23 LEU A 38 3.493 -0.037 3.807 1.00 0.00 H new ATOM 551 N GLN A 39 9.335 1.895 3.132 1.00 0.00 N ATOM 552 CA GLN A 39 10.425 2.344 2.284 1.00 0.00 C ATOM 553 C GLN A 39 10.213 1.909 0.858 1.00 0.00 C ATOM 554 O GLN A 39 10.637 0.841 0.422 1.00 0.00 O ATOM 555 CB GLN A 39 11.758 1.809 2.800 1.00 0.00 C ATOM 556 CG GLN A 39 12.947 2.207 1.945 1.00 0.00 C ATOM 557 CD GLN A 39 14.082 2.792 2.760 1.00 0.00 C ATOM 558 OE1 GLN A 39 15.221 2.332 2.682 1.00 0.00 O ATOM 559 NE2 GLN A 39 13.775 3.815 3.552 1.00 0.00 N ATOM 0 H GLN A 39 9.618 1.699 4.092 1.00 0.00 H new ATOM 0 HA GLN A 39 10.446 3.433 2.313 1.00 0.00 H new ATOM 0 HB2 GLN A 39 11.915 2.170 3.816 1.00 0.00 H new ATOM 0 HB3 GLN A 39 11.707 0.721 2.852 1.00 0.00 H new ATOM 0 HG2 GLN A 39 13.308 1.333 1.402 1.00 0.00 H new ATOM 0 HG3 GLN A 39 12.626 2.936 1.200 1.00 0.00 H new ATOM 0 HE21 GLN A 39 12.817 4.164 3.586 1.00 0.00 H new ATOM 0 HE22 GLN A 39 14.497 4.250 4.126 1.00 0.00 H new ATOM 568 N SER A 40 9.521 2.796 0.184 1.00 0.00 N ATOM 569 CA SER A 40 9.127 2.681 -1.220 1.00 0.00 C ATOM 570 C SER A 40 9.807 1.533 -1.951 1.00 0.00 C ATOM 571 O SER A 40 9.182 0.849 -2.758 1.00 0.00 O ATOM 572 CB SER A 40 9.416 3.995 -1.950 1.00 0.00 C ATOM 573 OG SER A 40 10.716 4.471 -1.647 1.00 0.00 O ATOM 0 H SER A 40 9.196 3.664 0.611 1.00 0.00 H new ATOM 0 HA SER A 40 8.059 2.466 -1.223 1.00 0.00 H new ATOM 0 HB2 SER A 40 9.321 3.846 -3.026 1.00 0.00 H new ATOM 0 HB3 SER A 40 8.676 4.743 -1.666 1.00 0.00 H new ATOM 0 HG SER A 40 10.877 5.310 -2.127 1.00 0.00 H new ATOM 579 N SER A 41 11.082 1.327 -1.679 1.00 0.00 N ATOM 580 CA SER A 41 11.826 0.252 -2.329 1.00 0.00 C ATOM 581 C SER A 41 11.074 -1.069 -2.223 1.00 0.00 C ATOM 582 O SER A 41 11.313 -1.994 -2.999 1.00 0.00 O ATOM 583 CB SER A 41 13.219 0.116 -1.712 1.00 0.00 C ATOM 584 OG SER A 41 14.229 0.260 -2.696 1.00 0.00 O ATOM 0 H SER A 41 11.625 1.882 -1.018 1.00 0.00 H new ATOM 0 HA SER A 41 11.932 0.504 -3.384 1.00 0.00 H new ATOM 0 HB2 SER A 41 13.352 0.871 -0.937 1.00 0.00 H new ATOM 0 HB3 SER A 41 13.313 -0.857 -1.229 1.00 0.00 H new ATOM 0 HG SER A 41 15.110 0.171 -2.276 1.00 0.00 H new ATOM 590 N GLN A 42 10.161 -1.154 -1.259 1.00 0.00 N ATOM 591 CA GLN A 42 9.369 -2.349 -1.046 1.00 0.00 C ATOM 592 C GLN A 42 8.437 -2.608 -2.221 1.00 0.00 C ATOM 593 O GLN A 42 8.096 -3.750 -2.539 1.00 0.00 O ATOM 594 CB GLN A 42 8.584 -2.182 0.251 1.00 0.00 C ATOM 595 CG GLN A 42 7.116 -1.808 0.086 1.00 0.00 C ATOM 596 CD GLN A 42 6.186 -2.990 0.284 1.00 0.00 C ATOM 597 OE1 GLN A 42 5.776 -3.292 1.405 1.00 0.00 O ATOM 598 NE2 GLN A 42 5.848 -3.666 -0.803 1.00 0.00 N ATOM 0 H GLN A 42 9.954 -0.396 -0.609 1.00 0.00 H new ATOM 0 HA GLN A 42 10.027 -3.215 -0.968 1.00 0.00 H new ATOM 0 HB2 GLN A 42 8.642 -3.114 0.813 1.00 0.00 H new ATOM 0 HB3 GLN A 42 9.071 -1.415 0.854 1.00 0.00 H new ATOM 0 HG2 GLN A 42 6.862 -1.027 0.802 1.00 0.00 H new ATOM 0 HG3 GLN A 42 6.961 -1.391 -0.909 1.00 0.00 H new ATOM 0 HE21 GLN A 42 6.210 -3.382 -1.713 1.00 0.00 H new ATOM 0 HE22 GLN A 42 5.225 -4.471 -0.730 1.00 0.00 H new ATOM 607 N TYR A 43 8.030 -1.526 -2.854 1.00 0.00 N ATOM 608 CA TYR A 43 7.131 -1.588 -4.002 1.00 0.00 C ATOM 609 C TYR A 43 7.826 -1.153 -5.282 1.00 0.00 C ATOM 610 O TYR A 43 9.044 -0.963 -5.320 1.00 0.00 O ATOM 611 CB TYR A 43 5.882 -0.732 -3.757 1.00 0.00 C ATOM 612 CG TYR A 43 6.158 0.734 -3.527 1.00 0.00 C ATOM 613 CD1 TYR A 43 6.757 1.521 -4.505 1.00 0.00 C ATOM 614 CD2 TYR A 43 5.805 1.338 -2.327 1.00 0.00 C ATOM 615 CE1 TYR A 43 6.997 2.865 -4.289 1.00 0.00 C ATOM 616 CE2 TYR A 43 6.040 2.680 -2.107 1.00 0.00 C ATOM 617 CZ TYR A 43 6.635 3.439 -3.091 1.00 0.00 C ATOM 618 OH TYR A 43 6.870 4.776 -2.869 1.00 0.00 O ATOM 0 H TYR A 43 8.308 -0.580 -2.593 1.00 0.00 H new ATOM 0 HA TYR A 43 6.827 -2.628 -4.124 1.00 0.00 H new ATOM 0 HB2 TYR A 43 5.216 -0.832 -4.614 1.00 0.00 H new ATOM 0 HB3 TYR A 43 5.351 -1.128 -2.892 1.00 0.00 H new ATOM 0 HD1 TYR A 43 7.039 1.075 -5.447 1.00 0.00 H new ATOM 0 HD2 TYR A 43 5.338 0.747 -1.553 1.00 0.00 H new ATOM 0 HE1 TYR A 43 7.466 3.462 -5.057 1.00 0.00 H new ATOM 0 HE2 TYR A 43 5.759 3.133 -1.168 1.00 0.00 H new ATOM 0 HH TYR A 43 6.208 5.310 -3.355 1.00 0.00 H new ATOM 628 N THR A 44 7.029 -1.002 -6.322 1.00 0.00 N ATOM 629 CA THR A 44 7.507 -0.593 -7.625 1.00 0.00 C ATOM 630 C THR A 44 6.619 0.512 -8.161 1.00 0.00 C ATOM 631 O THR A 44 5.580 0.261 -8.776 1.00 0.00 O ATOM 632 CB THR A 44 7.513 -1.776 -8.589 1.00 0.00 C ATOM 633 OG1 THR A 44 7.652 -2.997 -7.886 1.00 0.00 O ATOM 634 CG2 THR A 44 8.622 -1.708 -9.616 1.00 0.00 C ATOM 0 H THR A 44 6.022 -1.162 -6.284 1.00 0.00 H new ATOM 0 HA THR A 44 8.529 -0.225 -7.530 1.00 0.00 H new ATOM 0 HB THR A 44 6.556 -1.727 -9.109 1.00 0.00 H new ATOM 0 HG1 THR A 44 7.652 -3.743 -8.522 1.00 0.00 H new ATOM 0 HG21 THR A 44 8.568 -2.579 -10.269 1.00 0.00 H new ATOM 0 HG22 THR A 44 8.512 -0.801 -10.211 1.00 0.00 H new ATOM 0 HG23 THR A 44 9.587 -1.694 -9.109 1.00 0.00 H new ATOM 642 N LYS A 45 7.032 1.734 -7.889 1.00 0.00 N ATOM 643 CA LYS A 45 6.288 2.916 -8.312 1.00 0.00 C ATOM 644 C LYS A 45 6.339 3.092 -9.825 1.00 0.00 C ATOM 645 O LYS A 45 7.162 2.485 -10.512 1.00 0.00 O ATOM 646 CB LYS A 45 6.850 4.166 -7.617 1.00 0.00 C ATOM 647 CG LYS A 45 6.527 5.470 -8.334 1.00 0.00 C ATOM 648 CD LYS A 45 7.174 6.659 -7.639 1.00 0.00 C ATOM 649 CE LYS A 45 6.889 7.956 -8.377 1.00 0.00 C ATOM 650 NZ LYS A 45 7.589 9.114 -7.753 1.00 0.00 N ATOM 0 H LYS A 45 7.887 1.941 -7.372 1.00 0.00 H new ATOM 0 HA LYS A 45 5.245 2.780 -8.025 1.00 0.00 H new ATOM 0 HB2 LYS A 45 6.455 4.214 -6.602 1.00 0.00 H new ATOM 0 HB3 LYS A 45 7.932 4.067 -7.534 1.00 0.00 H new ATOM 0 HG2 LYS A 45 6.875 5.416 -9.366 1.00 0.00 H new ATOM 0 HG3 LYS A 45 5.447 5.610 -8.369 1.00 0.00 H new ATOM 0 HD2 LYS A 45 6.802 6.731 -6.617 1.00 0.00 H new ATOM 0 HD3 LYS A 45 8.251 6.504 -7.576 1.00 0.00 H new ATOM 0 HE2 LYS A 45 7.203 7.859 -9.416 1.00 0.00 H new ATOM 0 HE3 LYS A 45 5.815 8.142 -8.384 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 6.898 9.709 -7.253 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 8.300 8.767 -7.078 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 8.059 9.675 -8.492 1.00 0.00 H new ATOM 664 N GLY A 46 5.448 3.937 -10.329 1.00 0.00 N ATOM 665 CA GLY A 46 5.375 4.210 -11.747 1.00 0.00 C ATOM 666 C GLY A 46 4.857 5.608 -12.018 1.00 0.00 C ATOM 667 O GLY A 46 3.765 5.777 -12.563 1.00 0.00 O ATOM 0 H GLY A 46 4.765 4.445 -9.767 1.00 0.00 H new ATOM 0 HA2 GLY A 46 6.363 4.095 -12.192 1.00 0.00 H new ATOM 0 HA3 GLY A 46 4.722 3.480 -12.226 1.00 0.00 H new ATOM 671 N THR A 47 5.642 6.604 -11.617 1.00 0.00 N ATOM 672 CA THR A 47 5.293 8.016 -11.796 1.00 0.00 C ATOM 673 C THR A 47 3.787 8.248 -11.761 1.00 0.00 C ATOM 674 O THR A 47 3.256 9.083 -12.491 1.00 0.00 O ATOM 675 CB THR A 47 5.873 8.549 -13.104 1.00 0.00 C ATOM 676 OG1 THR A 47 5.390 9.854 -13.375 1.00 0.00 O ATOM 677 CG2 THR A 47 5.547 7.682 -14.302 1.00 0.00 C ATOM 0 H THR A 47 6.541 6.458 -11.157 1.00 0.00 H new ATOM 0 HA THR A 47 5.729 8.560 -10.958 1.00 0.00 H new ATOM 0 HB THR A 47 6.953 8.550 -12.959 1.00 0.00 H new ATOM 0 HG1 THR A 47 4.417 9.826 -13.486 1.00 0.00 H new ATOM 0 HG21 THR A 47 5.989 8.118 -15.198 1.00 0.00 H new ATOM 0 HG22 THR A 47 5.951 6.682 -14.148 1.00 0.00 H new ATOM 0 HG23 THR A 47 4.466 7.621 -14.424 1.00 0.00 H new ATOM 685 N ASN A 48 3.118 7.512 -10.887 1.00 0.00 N ATOM 686 CA ASN A 48 1.676 7.623 -10.711 1.00 0.00 C ATOM 687 C ASN A 48 1.113 6.366 -10.102 1.00 0.00 C ATOM 688 O ASN A 48 0.108 6.403 -9.412 1.00 0.00 O ATOM 689 CB ASN A 48 0.945 7.895 -12.026 1.00 0.00 C ATOM 690 CG ASN A 48 1.547 7.159 -13.204 1.00 0.00 C ATOM 691 OD1 ASN A 48 1.372 5.846 -13.226 1.00 0.00 O flip ATOM 692 ND2 ASN A 48 2.158 7.761 -14.086 1.00 0.00 N flip ATOM 0 H ASN A 48 3.558 6.821 -10.279 1.00 0.00 H new ATOM 0 HA ASN A 48 1.517 8.471 -10.044 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -0.100 7.605 -11.920 1.00 0.00 H new ATOM 0 HB3 ASN A 48 0.960 8.966 -12.228 1.00 0.00 H new ATOM 0 HD21 ASN A 48 2.269 8.773 -14.029 1.00 0.00 H new ATOM 0 HD22 ASN A 48 2.553 7.248 -14.874 1.00 0.00 H new ATOM 699 N GLU A 49 1.758 5.259 -10.380 1.00 0.00 N ATOM 700 CA GLU A 49 1.308 3.973 -9.870 1.00 0.00 C ATOM 701 C GLU A 49 2.321 3.366 -8.915 1.00 0.00 C ATOM 702 O GLU A 49 3.495 3.695 -8.947 1.00 0.00 O ATOM 703 CB GLU A 49 1.059 3.005 -11.027 1.00 0.00 C ATOM 704 CG GLU A 49 -0.176 3.334 -11.843 1.00 0.00 C ATOM 705 CD GLU A 49 -1.100 2.144 -12.010 1.00 0.00 C ATOM 706 OE1 GLU A 49 -0.810 1.078 -11.425 1.00 0.00 O ATOM 707 OE2 GLU A 49 -2.115 2.275 -12.727 1.00 0.00 O ATOM 0 H GLU A 49 2.598 5.216 -10.957 1.00 0.00 H new ATOM 0 HA GLU A 49 0.380 4.143 -9.324 1.00 0.00 H new ATOM 0 HB2 GLU A 49 1.929 3.007 -11.684 1.00 0.00 H new ATOM 0 HB3 GLU A 49 0.962 1.995 -10.629 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -0.720 4.146 -11.360 1.00 0.00 H new ATOM 0 HG3 GLU A 49 0.128 3.694 -12.826 1.00 0.00 H new ATOM 714 N VAL A 50 1.856 2.468 -8.065 1.00 0.00 N ATOM 715 CA VAL A 50 2.739 1.809 -7.114 1.00 0.00 C ATOM 716 C VAL A 50 2.309 0.373 -6.872 1.00 0.00 C ATOM 717 O VAL A 50 1.171 0.107 -6.499 1.00 0.00 O ATOM 718 CB VAL A 50 2.805 2.562 -5.780 1.00 0.00 C ATOM 719 CG1 VAL A 50 1.469 3.208 -5.449 1.00 0.00 C ATOM 720 CG2 VAL A 50 3.263 1.649 -4.650 1.00 0.00 C ATOM 0 H VAL A 50 0.879 2.178 -8.012 1.00 0.00 H new ATOM 0 HA VAL A 50 3.735 1.811 -7.556 1.00 0.00 H new ATOM 0 HB VAL A 50 3.545 3.355 -5.887 1.00 0.00 H new ATOM 0 HG11 VAL A 50 1.545 3.735 -4.498 1.00 0.00 H new ATOM 0 HG12 VAL A 50 1.202 3.915 -6.235 1.00 0.00 H new ATOM 0 HG13 VAL A 50 0.701 2.438 -5.377 1.00 0.00 H new ATOM 0 HG21 VAL A 50 3.299 2.213 -3.718 1.00 0.00 H new ATOM 0 HG22 VAL A 50 2.563 0.820 -4.545 1.00 0.00 H new ATOM 0 HG23 VAL A 50 4.255 1.259 -4.877 1.00 0.00 H new ATOM 730 N THR A 51 3.231 -0.543 -7.101 1.00 0.00 N ATOM 731 CA THR A 51 2.941 -1.963 -6.923 1.00 0.00 C ATOM 732 C THR A 51 3.809 -2.603 -5.845 1.00 0.00 C ATOM 733 O THR A 51 5.035 -2.537 -5.894 1.00 0.00 O ATOM 734 CB THR A 51 3.121 -2.697 -8.253 1.00 0.00 C ATOM 735 OG1 THR A 51 2.300 -3.849 -8.310 1.00 0.00 O ATOM 736 CG2 THR A 51 4.545 -3.137 -8.516 1.00 0.00 C ATOM 0 H THR A 51 4.182 -0.337 -7.408 1.00 0.00 H new ATOM 0 HA THR A 51 1.906 -2.048 -6.591 1.00 0.00 H new ATOM 0 HB THR A 51 2.838 -1.971 -9.015 1.00 0.00 H new ATOM 0 HG1 THR A 51 2.848 -4.649 -8.168 1.00 0.00 H new ATOM 0 HG21 THR A 51 4.596 -3.650 -9.476 1.00 0.00 H new ATOM 0 HG22 THR A 51 5.198 -2.264 -8.536 1.00 0.00 H new ATOM 0 HG23 THR A 51 4.869 -3.814 -7.725 1.00 0.00 H new ATOM 744 N LEU A 52 3.159 -3.251 -4.882 1.00 0.00 N ATOM 745 CA LEU A 52 3.870 -3.927 -3.809 1.00 0.00 C ATOM 746 C LEU A 52 4.304 -5.307 -4.269 1.00 0.00 C ATOM 747 O LEU A 52 3.526 -6.033 -4.893 1.00 0.00 O ATOM 748 CB LEU A 52 2.991 -4.052 -2.566 1.00 0.00 C ATOM 749 CG LEU A 52 1.922 -2.975 -2.395 1.00 0.00 C ATOM 750 CD1 LEU A 52 1.474 -2.901 -0.942 1.00 0.00 C ATOM 751 CD2 LEU A 52 2.437 -1.622 -2.866 1.00 0.00 C ATOM 0 H LEU A 52 2.143 -3.320 -4.826 1.00 0.00 H new ATOM 0 HA LEU A 52 4.748 -3.334 -3.553 1.00 0.00 H new ATOM 0 HB2 LEU A 52 2.499 -5.025 -2.589 1.00 0.00 H new ATOM 0 HB3 LEU A 52 3.635 -4.041 -1.687 1.00 0.00 H new ATOM 0 HG LEU A 52 1.063 -3.243 -3.010 1.00 0.00 H new ATOM 0 HD11 LEU A 52 0.712 -2.129 -0.835 1.00 0.00 H new ATOM 0 HD12 LEU A 52 1.061 -3.863 -0.639 1.00 0.00 H new ATOM 0 HD13 LEU A 52 2.328 -2.658 -0.310 1.00 0.00 H new ATOM 0 HD21 LEU A 52 1.658 -0.871 -2.735 1.00 0.00 H new ATOM 0 HD22 LEU A 52 3.313 -1.343 -2.281 1.00 0.00 H new ATOM 0 HD23 LEU A 52 2.708 -1.683 -3.920 1.00 0.00 H new ATOM 763 N LEU A 53 5.547 -5.668 -3.976 1.00 0.00 N ATOM 764 CA LEU A 53 6.055 -6.963 -4.391 1.00 0.00 C ATOM 765 C LEU A 53 5.845 -8.023 -3.316 1.00 0.00 C ATOM 766 O LEU A 53 6.456 -7.986 -2.250 1.00 0.00 O ATOM 767 CB LEU A 53 7.538 -6.867 -4.755 1.00 0.00 C ATOM 768 CG LEU A 53 7.843 -6.064 -6.020 1.00 0.00 C ATOM 769 CD1 LEU A 53 9.092 -5.215 -5.825 1.00 0.00 C ATOM 770 CD2 LEU A 53 8.009 -6.990 -7.214 1.00 0.00 C ATOM 0 H LEU A 53 6.211 -5.090 -3.460 1.00 0.00 H new ATOM 0 HA LEU A 53 5.491 -7.267 -5.273 1.00 0.00 H new ATOM 0 HB2 LEU A 53 8.073 -6.417 -3.919 1.00 0.00 H new ATOM 0 HB3 LEU A 53 7.932 -7.876 -4.879 1.00 0.00 H new ATOM 0 HG LEU A 53 7.002 -5.399 -6.216 1.00 0.00 H new ATOM 0 HD11 LEU A 53 9.294 -4.650 -6.735 1.00 0.00 H new ATOM 0 HD12 LEU A 53 8.937 -4.524 -4.996 1.00 0.00 H new ATOM 0 HD13 LEU A 53 9.941 -5.862 -5.604 1.00 0.00 H new ATOM 0 HD21 LEU A 53 8.225 -6.400 -8.105 1.00 0.00 H new ATOM 0 HD22 LEU A 53 8.831 -7.681 -7.027 1.00 0.00 H new ATOM 0 HD23 LEU A 53 7.089 -7.554 -7.367 1.00 0.00 H new ATOM 782 N ALA A 54 4.975 -8.976 -3.624 1.00 0.00 N ATOM 783 CA ALA A 54 4.645 -10.076 -2.721 1.00 0.00 C ATOM 784 C ALA A 54 5.834 -10.544 -1.881 1.00 0.00 C ATOM 785 O ALA A 54 5.649 -11.158 -0.832 1.00 0.00 O ATOM 786 CB ALA A 54 4.094 -11.247 -3.522 1.00 0.00 C ATOM 0 H ALA A 54 4.474 -9.010 -4.512 1.00 0.00 H new ATOM 0 HA ALA A 54 3.895 -9.699 -2.025 1.00 0.00 H new ATOM 0 HB1 ALA A 54 3.849 -12.066 -2.846 1.00 0.00 H new ATOM 0 HB2 ALA A 54 3.196 -10.933 -4.054 1.00 0.00 H new ATOM 0 HB3 ALA A 54 4.843 -11.581 -4.240 1.00 0.00 H new ATOM 792 N SER A 55 7.045 -10.271 -2.345 1.00 0.00 N ATOM 793 CA SER A 55 8.242 -10.691 -1.627 1.00 0.00 C ATOM 794 C SER A 55 8.447 -9.898 -0.345 1.00 0.00 C ATOM 795 O SER A 55 8.712 -10.470 0.707 1.00 0.00 O ATOM 796 CB SER A 55 9.477 -10.565 -2.525 1.00 0.00 C ATOM 797 OG SER A 55 9.431 -11.502 -3.587 1.00 0.00 O ATOM 0 H SER A 55 7.225 -9.763 -3.211 1.00 0.00 H new ATOM 0 HA SER A 55 8.102 -11.736 -1.350 1.00 0.00 H new ATOM 0 HB2 SER A 55 9.535 -9.554 -2.929 1.00 0.00 H new ATOM 0 HB3 SER A 55 10.379 -10.724 -1.934 1.00 0.00 H new ATOM 0 HG SER A 55 10.229 -11.401 -4.147 1.00 0.00 H new ATOM 803 N TYR A 56 8.323 -8.582 -0.440 1.00 0.00 N ATOM 804 CA TYR A 56 8.500 -7.729 0.719 1.00 0.00 C ATOM 805 C TYR A 56 7.307 -7.849 1.646 1.00 0.00 C ATOM 806 O TYR A 56 7.439 -8.184 2.831 1.00 0.00 O ATOM 807 CB TYR A 56 8.665 -6.272 0.295 1.00 0.00 C ATOM 808 CG TYR A 56 8.869 -5.329 1.458 1.00 0.00 C ATOM 809 CD1 TYR A 56 7.791 -4.849 2.188 1.00 0.00 C ATOM 810 CD2 TYR A 56 10.144 -4.916 1.822 1.00 0.00 C ATOM 811 CE1 TYR A 56 7.978 -3.983 3.250 1.00 0.00 C ATOM 812 CE2 TYR A 56 10.339 -4.051 2.882 1.00 0.00 C ATOM 813 CZ TYR A 56 9.252 -3.589 3.593 1.00 0.00 C ATOM 814 OH TYR A 56 9.442 -2.727 4.649 1.00 0.00 O ATOM 0 H TYR A 56 8.102 -8.087 -1.304 1.00 0.00 H new ATOM 0 HA TYR A 56 9.400 -8.052 1.242 1.00 0.00 H new ATOM 0 HB2 TYR A 56 9.516 -6.192 -0.382 1.00 0.00 H new ATOM 0 HB3 TYR A 56 7.782 -5.962 -0.265 1.00 0.00 H new ATOM 0 HD1 TYR A 56 6.790 -5.156 1.923 1.00 0.00 H new ATOM 0 HD2 TYR A 56 10.998 -5.277 1.267 1.00 0.00 H new ATOM 0 HE1 TYR A 56 7.129 -3.617 3.808 1.00 0.00 H new ATOM 0 HE2 TYR A 56 11.337 -3.739 3.152 1.00 0.00 H new ATOM 0 HH TYR A 56 10.400 -2.550 4.759 1.00 0.00 H new ATOM 824 N LEU A 57 6.140 -7.571 1.097 1.00 0.00 N ATOM 825 CA LEU A 57 4.916 -7.645 1.866 1.00 0.00 C ATOM 826 C LEU A 57 4.807 -8.985 2.573 1.00 0.00 C ATOM 827 O LEU A 57 4.377 -9.056 3.722 1.00 0.00 O ATOM 828 CB LEU A 57 3.699 -7.409 0.979 1.00 0.00 C ATOM 829 CG LEU A 57 2.655 -6.489 1.601 1.00 0.00 C ATOM 830 CD1 LEU A 57 3.089 -5.035 1.489 1.00 0.00 C ATOM 831 CD2 LEU A 57 1.295 -6.694 0.956 1.00 0.00 C ATOM 0 H LEU A 57 6.015 -7.293 0.124 1.00 0.00 H new ATOM 0 HA LEU A 57 4.945 -6.858 2.620 1.00 0.00 H new ATOM 0 HB2 LEU A 57 4.028 -6.982 0.032 1.00 0.00 H new ATOM 0 HB3 LEU A 57 3.235 -8.369 0.751 1.00 0.00 H new ATOM 0 HG LEU A 57 2.568 -6.742 2.658 1.00 0.00 H new ATOM 0 HD11 LEU A 57 2.331 -4.393 1.938 1.00 0.00 H new ATOM 0 HD12 LEU A 57 4.037 -4.897 2.010 1.00 0.00 H new ATOM 0 HD13 LEU A 57 3.211 -4.772 0.438 1.00 0.00 H new ATOM 0 HD21 LEU A 57 0.569 -6.026 1.418 1.00 0.00 H new ATOM 0 HD22 LEU A 57 1.361 -6.476 -0.110 1.00 0.00 H new ATOM 0 HD23 LEU A 57 0.978 -7.727 1.096 1.00 0.00 H new ATOM 843 N ASN A 58 5.218 -10.048 1.892 1.00 0.00 N ATOM 844 CA ASN A 58 5.177 -11.373 2.487 1.00 0.00 C ATOM 845 C ASN A 58 6.149 -11.452 3.657 1.00 0.00 C ATOM 846 O ASN A 58 5.989 -12.274 4.559 1.00 0.00 O ATOM 847 CB ASN A 58 5.516 -12.441 1.447 1.00 0.00 C ATOM 848 CG ASN A 58 5.711 -13.813 2.063 1.00 0.00 C ATOM 849 OD1 ASN A 58 5.014 -14.185 3.007 1.00 0.00 O ATOM 850 ND2 ASN A 58 6.659 -14.573 1.532 1.00 0.00 N ATOM 0 H ASN A 58 5.579 -10.017 0.939 1.00 0.00 H new ATOM 0 HA ASN A 58 4.167 -11.557 2.853 1.00 0.00 H new ATOM 0 HB2 ASN A 58 4.717 -12.489 0.707 1.00 0.00 H new ATOM 0 HB3 ASN A 58 6.424 -12.152 0.917 1.00 0.00 H new ATOM 0 HD21 ASN A 58 6.834 -15.506 1.906 1.00 0.00 H new ATOM 0 HD22 ASN A 58 7.213 -14.225 0.750 1.00 0.00 H new ATOM 857 N THR A 59 7.164 -10.591 3.628 1.00 0.00 N ATOM 858 CA THR A 59 8.176 -10.560 4.674 1.00 0.00 C ATOM 859 C THR A 59 7.728 -9.717 5.859 1.00 0.00 C ATOM 860 O THR A 59 8.172 -9.934 6.985 1.00 0.00 O ATOM 861 CB THR A 59 9.496 -10.025 4.120 1.00 0.00 C ATOM 862 OG1 THR A 59 9.969 -10.846 3.067 1.00 0.00 O ATOM 863 CG2 THR A 59 10.590 -9.937 5.161 1.00 0.00 C ATOM 0 H THR A 59 7.305 -9.904 2.887 1.00 0.00 H new ATOM 0 HA THR A 59 8.322 -11.582 5.024 1.00 0.00 H new ATOM 0 HB THR A 59 9.273 -9.019 3.765 1.00 0.00 H new ATOM 0 HG1 THR A 59 9.569 -10.556 2.221 1.00 0.00 H new ATOM 0 HG21 THR A 59 11.499 -9.550 4.701 1.00 0.00 H new ATOM 0 HG22 THR A 59 10.276 -9.269 5.963 1.00 0.00 H new ATOM 0 HG23 THR A 59 10.784 -10.929 5.570 1.00 0.00 H new ATOM 871 N LEU A 60 6.851 -8.749 5.602 1.00 0.00 N ATOM 872 CA LEU A 60 6.350 -7.868 6.656 1.00 0.00 C ATOM 873 C LEU A 60 6.184 -8.613 7.980 1.00 0.00 C ATOM 874 O LEU A 60 5.944 -9.821 8.000 1.00 0.00 O ATOM 875 CB LEU A 60 5.016 -7.257 6.238 1.00 0.00 C ATOM 876 CG LEU A 60 5.124 -5.908 5.534 1.00 0.00 C ATOM 877 CD1 LEU A 60 5.412 -4.804 6.537 1.00 0.00 C ATOM 878 CD2 LEU A 60 6.201 -5.948 4.463 1.00 0.00 C ATOM 0 H LEU A 60 6.473 -8.554 4.675 1.00 0.00 H new ATOM 0 HA LEU A 60 7.085 -7.077 6.803 1.00 0.00 H new ATOM 0 HB2 LEU A 60 4.503 -7.956 5.577 1.00 0.00 H new ATOM 0 HB3 LEU A 60 4.392 -7.140 7.124 1.00 0.00 H new ATOM 0 HG LEU A 60 4.169 -5.696 5.053 1.00 0.00 H new ATOM 0 HD11 LEU A 60 5.486 -3.849 6.016 1.00 0.00 H new ATOM 0 HD12 LEU A 60 4.605 -4.757 7.268 1.00 0.00 H new ATOM 0 HD13 LEU A 60 6.352 -5.012 7.047 1.00 0.00 H new ATOM 0 HD21 LEU A 60 6.263 -4.977 3.972 1.00 0.00 H new ATOM 0 HD22 LEU A 60 7.161 -6.185 4.921 1.00 0.00 H new ATOM 0 HD23 LEU A 60 5.953 -6.712 3.726 1.00 0.00 H new ATOM 890 N PRO A 61 6.318 -7.895 9.107 1.00 0.00 N ATOM 891 CA PRO A 61 6.188 -8.482 10.447 1.00 0.00 C ATOM 892 C PRO A 61 4.839 -9.160 10.665 1.00 0.00 C ATOM 893 O PRO A 61 3.984 -9.158 9.780 1.00 0.00 O ATOM 894 CB PRO A 61 6.334 -7.278 11.385 1.00 0.00 C ATOM 895 CG PRO A 61 7.051 -6.249 10.583 1.00 0.00 C ATOM 896 CD PRO A 61 6.610 -6.454 9.162 1.00 0.00 C ATOM 0 HA PRO A 61 6.928 -9.264 10.614 1.00 0.00 H new ATOM 0 HB2 PRO A 61 5.361 -6.914 11.714 1.00 0.00 H new ATOM 0 HB3 PRO A 61 6.896 -7.542 12.281 1.00 0.00 H new ATOM 0 HG2 PRO A 61 6.805 -5.244 10.927 1.00 0.00 H new ATOM 0 HG3 PRO A 61 8.131 -6.363 10.677 1.00 0.00 H new ATOM 0 HD2 PRO A 61 5.731 -5.855 8.922 1.00 0.00 H new ATOM 0 HD3 PRO A 61 7.390 -6.173 8.454 1.00 0.00 H new ATOM 904 N GLU A 62 4.665 -9.737 11.854 1.00 0.00 N ATOM 905 CA GLU A 62 3.431 -10.428 12.219 1.00 0.00 C ATOM 906 C GLU A 62 2.209 -9.569 11.960 1.00 0.00 C ATOM 907 O GLU A 62 2.266 -8.589 11.222 1.00 0.00 O ATOM 908 CB GLU A 62 3.475 -10.834 13.693 1.00 0.00 C ATOM 909 CG GLU A 62 3.170 -12.305 13.929 1.00 0.00 C ATOM 910 CD GLU A 62 1.883 -12.515 14.704 1.00 0.00 C ATOM 911 OE1 GLU A 62 1.796 -12.030 15.852 1.00 0.00 O ATOM 912 OE2 GLU A 62 0.964 -13.165 14.163 1.00 0.00 O ATOM 0 H GLU A 62 5.373 -9.738 12.588 1.00 0.00 H new ATOM 0 HA GLU A 62 3.353 -11.318 11.595 1.00 0.00 H new ATOM 0 HB2 GLU A 62 4.463 -10.608 14.094 1.00 0.00 H new ATOM 0 HB3 GLU A 62 2.759 -10.229 14.249 1.00 0.00 H new ATOM 0 HG2 GLU A 62 3.100 -12.817 12.969 1.00 0.00 H new ATOM 0 HG3 GLU A 62 3.997 -12.761 14.474 1.00 0.00 H new ATOM 919 N ASN A 63 1.102 -9.980 12.561 1.00 0.00 N ATOM 920 CA ASN A 63 -0.165 -9.309 12.410 1.00 0.00 C ATOM 921 C ASN A 63 -0.007 -7.792 12.368 1.00 0.00 C ATOM 922 O ASN A 63 -0.342 -7.090 13.318 1.00 0.00 O ATOM 923 CB ASN A 63 -1.106 -9.695 13.553 1.00 0.00 C ATOM 924 CG ASN A 63 -1.425 -11.177 13.562 1.00 0.00 C ATOM 925 OD1 ASN A 63 -1.129 -11.884 14.524 1.00 0.00 O ATOM 926 ND2 ASN A 63 -2.035 -11.655 12.484 1.00 0.00 N ATOM 0 H ASN A 63 1.066 -10.797 13.171 1.00 0.00 H new ATOM 0 HA ASN A 63 -0.589 -9.628 11.458 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -0.651 -9.418 14.504 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -2.032 -9.127 13.465 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -2.277 -12.645 12.431 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -2.262 -11.033 11.708 1.00 0.00 H new ATOM 933 N THR A 64 0.511 -7.301 11.249 1.00 0.00 N ATOM 934 CA THR A 64 0.724 -5.873 11.060 1.00 0.00 C ATOM 935 C THR A 64 -0.287 -5.308 10.083 1.00 0.00 C ATOM 936 O THR A 64 -1.031 -6.051 9.445 1.00 0.00 O ATOM 937 CB THR A 64 2.141 -5.610 10.550 1.00 0.00 C ATOM 938 OG1 THR A 64 2.495 -6.544 9.545 1.00 0.00 O ATOM 939 CG2 THR A 64 3.193 -5.684 11.635 1.00 0.00 C ATOM 0 H THR A 64 0.793 -7.875 10.455 1.00 0.00 H new ATOM 0 HA THR A 64 0.595 -5.379 12.023 1.00 0.00 H new ATOM 0 HB THR A 64 2.120 -4.594 10.156 1.00 0.00 H new ATOM 0 HG1 THR A 64 2.738 -7.397 9.962 1.00 0.00 H new ATOM 0 HG21 THR A 64 4.175 -5.488 11.204 1.00 0.00 H new ATOM 0 HG22 THR A 64 2.978 -4.940 12.402 1.00 0.00 H new ATOM 0 HG23 THR A 64 3.185 -6.678 12.082 1.00 0.00 H new ATOM 947 N THR A 65 -0.320 -3.991 9.979 1.00 0.00 N ATOM 948 CA THR A 65 -1.250 -3.323 9.081 1.00 0.00 C ATOM 949 C THR A 65 -0.512 -2.456 8.071 1.00 0.00 C ATOM 950 O THR A 65 -0.557 -1.228 8.140 1.00 0.00 O ATOM 951 CB THR A 65 -2.215 -2.458 9.874 1.00 0.00 C ATOM 952 OG1 THR A 65 -2.400 -2.976 11.181 1.00 0.00 O ATOM 953 CG2 THR A 65 -3.578 -2.331 9.230 1.00 0.00 C ATOM 0 H THR A 65 0.286 -3.361 10.505 1.00 0.00 H new ATOM 0 HA THR A 65 -1.803 -4.093 8.543 1.00 0.00 H new ATOM 0 HB THR A 65 -1.755 -1.470 9.904 1.00 0.00 H new ATOM 0 HG1 THR A 65 -3.023 -2.403 11.675 1.00 0.00 H new ATOM 0 HG21 THR A 65 -4.216 -1.700 9.849 1.00 0.00 H new ATOM 0 HG22 THR A 65 -3.473 -1.882 8.242 1.00 0.00 H new ATOM 0 HG23 THR A 65 -4.028 -3.319 9.134 1.00 0.00 H new ATOM 961 N LYS A 66 0.160 -3.103 7.137 1.00 0.00 N ATOM 962 CA LYS A 66 0.895 -2.421 6.116 1.00 0.00 C ATOM 963 C LYS A 66 0.023 -1.404 5.406 1.00 0.00 C ATOM 964 O LYS A 66 -0.927 -1.760 4.725 1.00 0.00 O ATOM 965 CB LYS A 66 1.422 -3.457 5.135 1.00 0.00 C ATOM 966 CG LYS A 66 2.926 -3.615 5.171 1.00 0.00 C ATOM 967 CD LYS A 66 3.611 -2.289 5.434 1.00 0.00 C ATOM 968 CE LYS A 66 3.999 -2.129 6.896 1.00 0.00 C ATOM 969 NZ LYS A 66 5.447 -1.826 7.057 1.00 0.00 N ATOM 0 H LYS A 66 0.205 -4.120 7.075 1.00 0.00 H new ATOM 0 HA LYS A 66 1.726 -1.876 6.564 1.00 0.00 H new ATOM 0 HB2 LYS A 66 0.959 -4.419 5.352 1.00 0.00 H new ATOM 0 HB3 LYS A 66 1.118 -3.177 4.126 1.00 0.00 H new ATOM 0 HG2 LYS A 66 3.201 -4.329 5.947 1.00 0.00 H new ATOM 0 HG3 LYS A 66 3.274 -4.025 4.223 1.00 0.00 H new ATOM 0 HD2 LYS A 66 4.502 -2.212 4.812 1.00 0.00 H new ATOM 0 HD3 LYS A 66 2.948 -1.474 5.144 1.00 0.00 H new ATOM 0 HE2 LYS A 66 3.409 -1.329 7.342 1.00 0.00 H new ATOM 0 HE3 LYS A 66 3.757 -3.043 7.438 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 5.857 -2.459 7.773 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 5.934 -1.968 6.149 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 5.563 -0.838 7.361 1.00 0.00 H new ATOM 983 N THR A 67 0.356 -0.136 5.573 1.00 0.00 N ATOM 984 CA THR A 67 -0.411 0.925 4.952 1.00 0.00 C ATOM 985 C THR A 67 0.410 1.656 3.904 1.00 0.00 C ATOM 986 O THR A 67 1.537 2.071 4.162 1.00 0.00 O ATOM 987 CB THR A 67 -0.915 1.903 6.012 1.00 0.00 C ATOM 988 OG1 THR A 67 -1.854 1.275 6.863 1.00 0.00 O ATOM 989 CG2 THR A 67 -1.573 3.138 5.433 1.00 0.00 C ATOM 0 H THR A 67 1.149 0.181 6.131 1.00 0.00 H new ATOM 0 HA THR A 67 -1.268 0.474 4.451 1.00 0.00 H new ATOM 0 HB THR A 67 -0.026 2.214 6.561 1.00 0.00 H new ATOM 0 HG1 THR A 67 -1.448 0.481 7.268 1.00 0.00 H new ATOM 0 HG21 THR A 67 -1.906 3.787 6.243 1.00 0.00 H new ATOM 0 HG22 THR A 67 -0.857 3.674 4.810 1.00 0.00 H new ATOM 0 HG23 THR A 67 -2.431 2.844 4.828 1.00 0.00 H new ATOM 997 N LEU A 68 -0.160 1.805 2.718 1.00 0.00 N ATOM 998 CA LEU A 68 0.490 2.472 1.625 1.00 0.00 C ATOM 999 C LEU A 68 0.158 3.957 1.614 1.00 0.00 C ATOM 1000 O LEU A 68 -0.702 4.398 0.855 1.00 0.00 O ATOM 1001 CB LEU A 68 0.036 1.837 0.323 1.00 0.00 C ATOM 1002 CG LEU A 68 0.645 0.473 0.012 1.00 0.00 C ATOM 1003 CD1 LEU A 68 -0.186 -0.247 -1.027 1.00 0.00 C ATOM 1004 CD2 LEU A 68 2.081 0.633 -0.455 1.00 0.00 C ATOM 0 H LEU A 68 -1.094 1.460 2.496 1.00 0.00 H new ATOM 0 HA LEU A 68 1.569 2.368 1.740 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -1.049 1.734 0.348 1.00 0.00 H new ATOM 0 HB3 LEU A 68 0.273 2.517 -0.495 1.00 0.00 H new ATOM 0 HG LEU A 68 0.648 -0.129 0.921 1.00 0.00 H new ATOM 0 HD11 LEU A 68 0.260 -1.219 -1.240 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -1.199 -0.387 -0.650 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -0.218 0.345 -1.941 1.00 0.00 H new ATOM 0 HD21 LEU A 68 2.504 -0.348 -0.674 1.00 0.00 H new ATOM 0 HD22 LEU A 68 2.105 1.247 -1.355 1.00 0.00 H new ATOM 0 HD23 LEU A 68 2.667 1.114 0.328 1.00 0.00 H new ATOM 1016 N THR A 69 0.843 4.729 2.449 1.00 0.00 N ATOM 1017 CA THR A 69 0.604 6.160 2.507 1.00 0.00 C ATOM 1018 C THR A 69 1.441 6.875 1.451 1.00 0.00 C ATOM 1019 O THR A 69 2.542 7.347 1.735 1.00 0.00 O ATOM 1020 CB THR A 69 0.924 6.703 3.902 1.00 0.00 C ATOM 1021 OG1 THR A 69 -0.126 6.418 4.805 1.00 0.00 O ATOM 1022 CG2 THR A 69 1.153 8.201 3.934 1.00 0.00 C ATOM 0 H THR A 69 1.561 4.389 3.089 1.00 0.00 H new ATOM 0 HA THR A 69 -0.450 6.345 2.302 1.00 0.00 H new ATOM 0 HB THR A 69 1.849 6.204 4.192 1.00 0.00 H new ATOM 0 HG1 THR A 69 -0.265 5.449 4.850 1.00 0.00 H new ATOM 0 HG21 THR A 69 1.374 8.514 4.954 1.00 0.00 H new ATOM 0 HG22 THR A 69 1.992 8.455 3.287 1.00 0.00 H new ATOM 0 HG23 THR A 69 0.257 8.714 3.584 1.00 0.00 H new ATOM 1030 N PHE A 70 0.912 6.951 0.234 1.00 0.00 N ATOM 1031 CA PHE A 70 1.611 7.606 -0.855 1.00 0.00 C ATOM 1032 C PHE A 70 1.665 9.111 -0.620 1.00 0.00 C ATOM 1033 O PHE A 70 0.649 9.800 -0.711 1.00 0.00 O ATOM 1034 CB PHE A 70 0.903 7.312 -2.178 1.00 0.00 C ATOM 1035 CG PHE A 70 0.339 5.920 -2.273 1.00 0.00 C ATOM 1036 CD1 PHE A 70 1.172 4.833 -2.475 1.00 0.00 C ATOM 1037 CD2 PHE A 70 -1.020 5.703 -2.169 1.00 0.00 C ATOM 1038 CE1 PHE A 70 0.655 3.554 -2.572 1.00 0.00 C ATOM 1039 CE2 PHE A 70 -1.544 4.428 -2.265 1.00 0.00 C ATOM 1040 CZ PHE A 70 -0.701 3.352 -2.467 1.00 0.00 C ATOM 0 H PHE A 70 0.002 6.566 -0.018 1.00 0.00 H new ATOM 0 HA PHE A 70 2.630 7.221 -0.900 1.00 0.00 H new ATOM 0 HB2 PHE A 70 0.095 8.031 -2.314 1.00 0.00 H new ATOM 0 HB3 PHE A 70 1.606 7.465 -2.997 1.00 0.00 H new ATOM 0 HD1 PHE A 70 2.238 4.986 -2.558 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -1.683 6.541 -2.010 1.00 0.00 H new ATOM 0 HE1 PHE A 70 1.316 2.715 -2.730 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -2.610 4.273 -2.182 1.00 0.00 H new ATOM 0 HZ PHE A 70 -1.107 2.354 -2.542 1.00 0.00 H new ATOM 1050 N ASP A 71 2.855 9.615 -0.314 1.00 0.00 N ATOM 1051 CA ASP A 71 3.026 11.040 -0.063 1.00 0.00 C ATOM 1052 C ASP A 71 2.849 11.835 -1.342 1.00 0.00 C ATOM 1053 O ASP A 71 3.758 11.935 -2.165 1.00 0.00 O ATOM 1054 CB ASP A 71 4.397 11.320 0.532 1.00 0.00 C ATOM 1055 CG ASP A 71 4.633 12.798 0.773 1.00 0.00 C ATOM 1056 OD1 ASP A 71 3.824 13.419 1.494 1.00 0.00 O ATOM 1057 OD2 ASP A 71 5.626 13.336 0.241 1.00 0.00 O ATOM 0 H ASP A 71 3.709 9.063 -0.234 1.00 0.00 H new ATOM 0 HA ASP A 71 2.263 11.348 0.651 1.00 0.00 H new ATOM 0 HB2 ASP A 71 4.498 10.781 1.474 1.00 0.00 H new ATOM 0 HB3 ASP A 71 5.166 10.937 -0.139 1.00 0.00 H new ATOM 1062 N PHE A 72 1.666 12.399 -1.490 1.00 0.00 N ATOM 1063 CA PHE A 72 1.332 13.195 -2.662 1.00 0.00 C ATOM 1064 C PHE A 72 1.491 14.680 -2.363 1.00 0.00 C ATOM 1065 O PHE A 72 0.845 15.523 -2.986 1.00 0.00 O ATOM 1066 CB PHE A 72 -0.099 12.901 -3.109 1.00 0.00 C ATOM 1067 CG PHE A 72 -0.187 12.074 -4.362 1.00 0.00 C ATOM 1068 CD1 PHE A 72 0.548 10.912 -4.495 1.00 0.00 C ATOM 1069 CD2 PHE A 72 -1.004 12.470 -5.404 1.00 0.00 C ATOM 1070 CE1 PHE A 72 0.471 10.157 -5.647 1.00 0.00 C ATOM 1071 CE2 PHE A 72 -1.087 11.718 -6.561 1.00 0.00 C ATOM 1072 CZ PHE A 72 -0.344 10.561 -6.680 1.00 0.00 C ATOM 0 H PHE A 72 0.912 12.321 -0.808 1.00 0.00 H new ATOM 0 HA PHE A 72 2.017 12.927 -3.467 1.00 0.00 H new ATOM 0 HB2 PHE A 72 -0.621 12.382 -2.305 1.00 0.00 H new ATOM 0 HB3 PHE A 72 -0.620 13.845 -3.271 1.00 0.00 H new ATOM 0 HD1 PHE A 72 1.190 10.591 -3.688 1.00 0.00 H new ATOM 0 HD2 PHE A 72 -1.584 13.377 -5.313 1.00 0.00 H new ATOM 0 HE1 PHE A 72 1.050 9.250 -5.738 1.00 0.00 H new ATOM 0 HE2 PHE A 72 -1.731 12.035 -7.368 1.00 0.00 H new ATOM 0 HZ PHE A 72 -0.402 9.973 -7.584 1.00 0.00 H new ATOM 1082 N GLY A 73 2.350 14.992 -1.400 1.00 0.00 N ATOM 1083 CA GLY A 73 2.576 16.377 -1.028 1.00 0.00 C ATOM 1084 C GLY A 73 1.301 17.089 -0.619 1.00 0.00 C ATOM 1085 O GLY A 73 1.280 18.316 -0.500 1.00 0.00 O ATOM 0 H GLY A 73 2.894 14.311 -0.870 1.00 0.00 H new ATOM 0 HA2 GLY A 73 3.289 16.416 -0.205 1.00 0.00 H new ATOM 0 HA3 GLY A 73 3.029 16.905 -1.867 1.00 0.00 H new ATOM 1089 N VAL A 74 0.236 16.323 -0.404 1.00 0.00 N ATOM 1090 CA VAL A 74 -1.041 16.891 -0.009 1.00 0.00 C ATOM 1091 C VAL A 74 -1.395 16.497 1.418 1.00 0.00 C ATOM 1092 O VAL A 74 -1.995 17.278 2.157 1.00 0.00 O ATOM 1093 CB VAL A 74 -2.172 16.441 -0.947 1.00 0.00 C ATOM 1094 CG1 VAL A 74 -1.998 17.054 -2.329 1.00 0.00 C ATOM 1095 CG2 VAL A 74 -2.222 14.922 -1.034 1.00 0.00 C ATOM 0 H VAL A 74 0.236 15.307 -0.498 1.00 0.00 H new ATOM 0 HA VAL A 74 -0.938 17.974 -0.072 1.00 0.00 H new ATOM 0 HB VAL A 74 -3.119 16.791 -0.536 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -2.809 16.723 -2.978 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -2.017 18.141 -2.250 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -1.044 16.737 -2.750 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -3.029 14.622 -1.703 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -1.273 14.548 -1.420 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -2.399 14.506 -0.042 1.00 0.00 H new ATOM 1105 N GLY A 75 -1.020 15.280 1.801 1.00 0.00 N ATOM 1106 CA GLY A 75 -1.307 14.805 3.142 1.00 0.00 C ATOM 1107 C GLY A 75 -2.783 14.572 3.372 1.00 0.00 C ATOM 1108 O GLY A 75 -3.237 13.434 3.476 1.00 0.00 O ATOM 0 H GLY A 75 -0.523 14.616 1.207 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -0.764 13.876 3.319 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -0.940 15.531 3.867 1.00 0.00 H new ATOM 1112 N THR A 76 -3.526 15.660 3.455 1.00 0.00 N ATOM 1113 CA THR A 76 -4.968 15.596 3.678 1.00 0.00 C ATOM 1114 C THR A 76 -5.620 14.569 2.760 1.00 0.00 C ATOM 1115 O THR A 76 -6.197 13.585 3.224 1.00 0.00 O ATOM 1116 CB THR A 76 -5.595 16.969 3.447 1.00 0.00 C ATOM 1117 OG1 THR A 76 -5.020 17.937 4.308 1.00 0.00 O ATOM 1118 CG2 THR A 76 -7.092 16.988 3.667 1.00 0.00 C ATOM 0 H THR A 76 -3.156 16.607 3.371 1.00 0.00 H new ATOM 0 HA THR A 76 -5.138 15.290 4.710 1.00 0.00 H new ATOM 0 HB THR A 76 -5.395 17.204 2.402 1.00 0.00 H new ATOM 0 HG1 THR A 76 -5.435 18.809 4.142 1.00 0.00 H new ATOM 0 HG21 THR A 76 -7.474 17.993 3.486 1.00 0.00 H new ATOM 0 HG22 THR A 76 -7.570 16.290 2.980 1.00 0.00 H new ATOM 0 HG23 THR A 76 -7.313 16.695 4.694 1.00 0.00 H new ATOM 1126 N LYS A 77 -5.527 14.806 1.455 1.00 0.00 N ATOM 1127 CA LYS A 77 -6.111 13.909 0.471 1.00 0.00 C ATOM 1128 C LYS A 77 -5.138 12.799 0.092 1.00 0.00 C ATOM 1129 O LYS A 77 -5.365 12.064 -0.865 1.00 0.00 O ATOM 1130 CB LYS A 77 -6.532 14.686 -0.771 1.00 0.00 C ATOM 1131 CG LYS A 77 -5.499 15.698 -1.237 1.00 0.00 C ATOM 1132 CD LYS A 77 -5.936 17.121 -0.937 1.00 0.00 C ATOM 1133 CE LYS A 77 -6.795 17.687 -2.057 1.00 0.00 C ATOM 1134 NZ LYS A 77 -7.851 18.601 -1.538 1.00 0.00 N ATOM 0 H LYS A 77 -5.051 15.615 1.056 1.00 0.00 H new ATOM 0 HA LYS A 77 -6.993 13.449 0.917 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -6.729 13.982 -1.580 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -7.468 15.204 -0.565 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -4.546 15.498 -0.747 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -5.336 15.585 -2.309 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -6.496 17.142 -0.002 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -5.057 17.751 -0.797 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -6.163 18.226 -2.763 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -7.261 16.869 -2.607 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -8.415 18.966 -2.332 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -8.470 18.081 -0.884 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -7.406 19.395 -1.035 1.00 0.00 H new ATOM 1148 N ASN A 78 -4.056 12.679 0.850 1.00 0.00 N ATOM 1149 CA ASN A 78 -3.052 11.652 0.589 1.00 0.00 C ATOM 1150 C ASN A 78 -3.668 10.257 0.685 1.00 0.00 C ATOM 1151 O ASN A 78 -4.100 9.833 1.756 1.00 0.00 O ATOM 1152 CB ASN A 78 -1.890 11.780 1.578 1.00 0.00 C ATOM 1153 CG ASN A 78 -0.851 10.691 1.401 1.00 0.00 C ATOM 1154 OD1 ASN A 78 -1.139 9.615 0.881 1.00 0.00 O ATOM 1155 ND2 ASN A 78 0.369 10.967 1.839 1.00 0.00 N ATOM 0 H ASN A 78 -3.850 13.278 1.649 1.00 0.00 H new ATOM 0 HA ASN A 78 -2.673 11.795 -0.423 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -1.416 12.753 1.452 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -2.278 11.744 2.596 1.00 0.00 H new ATOM 0 HD21 ASN A 78 1.112 10.273 1.751 1.00 0.00 H new ATOM 0 HD22 ASN A 78 0.565 11.873 2.265 1.00 0.00 H new ATOM 1162 N PRO A 79 -3.722 9.529 -0.437 1.00 0.00 N ATOM 1163 CA PRO A 79 -4.294 8.181 -0.475 1.00 0.00 C ATOM 1164 C PRO A 79 -3.487 7.173 0.334 1.00 0.00 C ATOM 1165 O PRO A 79 -2.499 6.613 -0.141 1.00 0.00 O ATOM 1166 CB PRO A 79 -4.266 7.813 -1.965 1.00 0.00 C ATOM 1167 CG PRO A 79 -3.236 8.705 -2.568 1.00 0.00 C ATOM 1168 CD PRO A 79 -3.239 9.969 -1.754 1.00 0.00 C ATOM 0 HA PRO A 79 -5.291 8.161 -0.035 1.00 0.00 H new ATOM 0 HB2 PRO A 79 -4.009 6.763 -2.107 1.00 0.00 H new ATOM 0 HB3 PRO A 79 -5.241 7.968 -2.427 1.00 0.00 H new ATOM 0 HG2 PRO A 79 -2.254 8.233 -2.548 1.00 0.00 H new ATOM 0 HG3 PRO A 79 -3.468 8.915 -3.612 1.00 0.00 H new ATOM 0 HD2 PRO A 79 -2.243 10.407 -1.690 1.00 0.00 H new ATOM 0 HD3 PRO A 79 -3.893 10.725 -2.189 1.00 0.00 H new ATOM 1176 N LYS A 80 -3.925 6.936 1.566 1.00 0.00 N ATOM 1177 CA LYS A 80 -3.259 5.983 2.444 1.00 0.00 C ATOM 1178 C LYS A 80 -4.010 4.659 2.428 1.00 0.00 C ATOM 1179 O LYS A 80 -5.099 4.548 2.991 1.00 0.00 O ATOM 1180 CB LYS A 80 -3.185 6.523 3.872 1.00 0.00 C ATOM 1181 CG LYS A 80 -3.312 8.036 3.967 1.00 0.00 C ATOM 1182 CD LYS A 80 -4.731 8.458 4.310 1.00 0.00 C ATOM 1183 CE LYS A 80 -4.878 9.970 4.312 1.00 0.00 C ATOM 1184 NZ LYS A 80 -5.967 10.425 3.405 1.00 0.00 N ATOM 0 H LYS A 80 -4.739 7.392 1.979 1.00 0.00 H new ATOM 0 HA LYS A 80 -2.243 5.828 2.082 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -3.976 6.064 4.465 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -2.237 6.219 4.316 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -2.626 8.412 4.726 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -3.017 8.487 3.019 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -5.425 8.025 3.589 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -5.002 8.064 5.289 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -5.084 10.313 5.326 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -3.937 10.426 4.006 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -6.206 11.414 3.619 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -5.650 10.351 2.417 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -6.807 9.828 3.544 1.00 0.00 H new ATOM 1198 N LEU A 81 -3.435 3.660 1.768 1.00 0.00 N ATOM 1199 CA LEU A 81 -4.056 2.363 1.664 1.00 0.00 C ATOM 1200 C LEU A 81 -3.642 1.484 2.838 1.00 0.00 C ATOM 1201 O LEU A 81 -2.586 1.696 3.431 1.00 0.00 O ATOM 1202 CB LEU A 81 -3.673 1.778 0.304 1.00 0.00 C ATOM 1203 CG LEU A 81 -3.447 0.272 0.207 1.00 0.00 C ATOM 1204 CD1 LEU A 81 -2.417 -0.214 1.210 1.00 0.00 C ATOM 1205 CD2 LEU A 81 -4.758 -0.475 0.358 1.00 0.00 C ATOM 0 H LEU A 81 -2.533 3.734 1.297 1.00 0.00 H new ATOM 0 HA LEU A 81 -5.143 2.431 1.717 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -4.456 2.044 -0.406 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -2.761 2.274 -0.027 1.00 0.00 H new ATOM 0 HG LEU A 81 -3.045 0.063 -0.784 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -2.288 -1.291 1.106 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -1.466 0.285 1.026 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -2.757 0.015 2.220 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -4.576 -1.547 0.286 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -5.198 -0.246 1.329 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -5.444 -0.169 -0.432 1.00 0.00 H new ATOM 1217 N THR A 82 -4.478 0.514 3.192 1.00 0.00 N ATOM 1218 CA THR A 82 -4.179 -0.361 4.318 1.00 0.00 C ATOM 1219 C THR A 82 -3.987 -1.809 3.877 1.00 0.00 C ATOM 1220 O THR A 82 -4.637 -2.281 2.946 1.00 0.00 O ATOM 1221 CB THR A 82 -5.295 -0.277 5.363 1.00 0.00 C ATOM 1222 OG1 THR A 82 -5.861 1.014 5.391 1.00 0.00 O ATOM 1223 CG2 THR A 82 -4.824 -0.605 6.764 1.00 0.00 C ATOM 0 H THR A 82 -5.360 0.315 2.720 1.00 0.00 H new ATOM 0 HA THR A 82 -3.242 -0.020 4.758 1.00 0.00 H new ATOM 0 HB THR A 82 -6.032 -1.021 5.060 1.00 0.00 H new ATOM 0 HG1 THR A 82 -6.417 1.145 4.595 1.00 0.00 H new ATOM 0 HG21 THR A 82 -5.662 -0.527 7.457 1.00 0.00 H new ATOM 0 HG22 THR A 82 -4.427 -1.620 6.786 1.00 0.00 H new ATOM 0 HG23 THR A 82 -4.043 0.096 7.059 1.00 0.00 H new ATOM 1231 N ILE A 83 -3.084 -2.502 4.565 1.00 0.00 N ATOM 1232 CA ILE A 83 -2.784 -3.895 4.266 1.00 0.00 C ATOM 1233 C ILE A 83 -2.582 -4.692 5.550 1.00 0.00 C ATOM 1234 O ILE A 83 -1.484 -4.713 6.112 1.00 0.00 O ATOM 1235 CB ILE A 83 -1.513 -4.034 3.404 1.00 0.00 C ATOM 1236 CG1 ILE A 83 -1.473 -2.955 2.317 1.00 0.00 C ATOM 1237 CG2 ILE A 83 -1.436 -5.426 2.791 1.00 0.00 C ATOM 1238 CD1 ILE A 83 -2.289 -3.292 1.085 1.00 0.00 C ATOM 0 H ILE A 83 -2.544 -2.116 5.339 1.00 0.00 H new ATOM 0 HA ILE A 83 -3.637 -4.286 3.711 1.00 0.00 H new ATOM 0 HB ILE A 83 -0.644 -3.895 4.047 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -1.837 -2.017 2.736 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -0.437 -2.790 2.021 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -0.533 -5.508 2.186 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -1.409 -6.172 3.585 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -2.311 -5.596 2.163 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -2.210 -2.480 0.363 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -1.911 -4.212 0.639 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -3.333 -3.427 1.366 1.00 0.00 H new ATOM 1250 N THR A 84 -3.641 -5.348 6.011 1.00 0.00 N ATOM 1251 CA THR A 84 -3.569 -6.148 7.225 1.00 0.00 C ATOM 1252 C THR A 84 -2.733 -7.401 6.986 1.00 0.00 C ATOM 1253 O THR A 84 -3.239 -8.407 6.490 1.00 0.00 O ATOM 1254 CB THR A 84 -4.971 -6.534 7.695 1.00 0.00 C ATOM 1255 OG1 THR A 84 -5.943 -5.673 7.128 1.00 0.00 O ATOM 1256 CG2 THR A 84 -5.136 -6.486 9.198 1.00 0.00 C ATOM 0 H THR A 84 -4.557 -5.341 5.563 1.00 0.00 H new ATOM 0 HA THR A 84 -3.092 -5.551 8.003 1.00 0.00 H new ATOM 0 HB THR A 84 -5.112 -7.563 7.365 1.00 0.00 H new ATOM 0 HG1 THR A 84 -6.834 -5.936 7.439 1.00 0.00 H new ATOM 0 HG21 THR A 84 -6.154 -6.771 9.462 1.00 0.00 H new ATOM 0 HG22 THR A 84 -4.433 -7.177 9.663 1.00 0.00 H new ATOM 0 HG23 THR A 84 -4.939 -5.475 9.554 1.00 0.00 H new ATOM 1264 N VAL A 85 -1.455 -7.334 7.340 1.00 0.00 N ATOM 1265 CA VAL A 85 -0.557 -8.461 7.160 1.00 0.00 C ATOM 1266 C VAL A 85 -0.698 -9.451 8.305 1.00 0.00 C ATOM 1267 O VAL A 85 -0.438 -9.118 9.459 1.00 0.00 O ATOM 1268 CB VAL A 85 0.908 -8.013 7.071 1.00 0.00 C ATOM 1269 CG1 VAL A 85 1.727 -9.013 6.271 1.00 0.00 C ATOM 1270 CG2 VAL A 85 1.013 -6.620 6.465 1.00 0.00 C ATOM 0 H VAL A 85 -1.020 -6.509 7.753 1.00 0.00 H new ATOM 0 HA VAL A 85 -0.836 -8.939 6.221 1.00 0.00 H new ATOM 0 HB VAL A 85 1.313 -7.972 8.082 1.00 0.00 H new ATOM 0 HG11 VAL A 85 2.763 -8.677 6.220 1.00 0.00 H new ATOM 0 HG12 VAL A 85 1.686 -9.988 6.756 1.00 0.00 H new ATOM 0 HG13 VAL A 85 1.321 -9.092 5.263 1.00 0.00 H new ATOM 0 HG21 VAL A 85 2.061 -6.324 6.412 1.00 0.00 H new ATOM 0 HG22 VAL A 85 0.587 -6.627 5.462 1.00 0.00 H new ATOM 0 HG23 VAL A 85 0.467 -5.911 7.087 1.00 0.00 H new ATOM 1280 N LEU A 86 -1.106 -10.668 7.976 1.00 0.00 N ATOM 1281 CA LEU A 86 -1.275 -11.711 8.975 1.00 0.00 C ATOM 1282 C LEU A 86 -0.333 -12.877 8.691 1.00 0.00 C ATOM 1283 O LEU A 86 -0.755 -13.925 8.203 1.00 0.00 O ATOM 1284 CB LEU A 86 -2.727 -12.203 9.003 1.00 0.00 C ATOM 1285 CG LEU A 86 -3.671 -11.516 8.015 1.00 0.00 C ATOM 1286 CD1 LEU A 86 -4.913 -12.365 7.786 1.00 0.00 C ATOM 1287 CD2 LEU A 86 -4.053 -10.134 8.519 1.00 0.00 C ATOM 0 H LEU A 86 -1.326 -10.957 7.023 1.00 0.00 H new ATOM 0 HA LEU A 86 -1.032 -11.291 9.951 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -2.734 -13.274 8.801 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -3.120 -12.066 10.010 1.00 0.00 H new ATOM 0 HG LEU A 86 -3.153 -11.403 7.063 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -5.573 -11.861 7.080 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -4.622 -13.334 7.381 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -5.435 -12.509 8.732 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -4.725 -9.659 7.804 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -4.553 -10.224 9.483 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -3.155 -9.527 8.632 1.00 0.00 H new