USER MOD reduce.3.24.130724 H: found=0, std=0, add=799, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 799 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 78 GLN :FLIP amide:sc= -2.33 F(o=-16!,f=-6.6) USER MOD Set 1.2: A 126 MET CE :methyl 168:sc= -4.28! (180deg=-5.21!) USER MOD Set 2.1: A 50 LYS NZ :NH3+ 147:sc= -2.86 (180deg=-1.33!) USER MOD Set 2.2: A 70 GLN :FLIP amide:sc= -2.76 F(o=-7.3!,f=-5.6) USER MOD Set 3.1: A 45 CYS SG : rot 86:sc= -8.42! USER MOD Set 3.2: A 48 HIS : no HD1:sc= -8! C(o=-16!,f=-29!) USER MOD Set 4.1: A 42 HIS : no HE2:sc= -9.08! C(o=-11!,f=-14!) USER MOD Set 4.2: A 72 SER OG : rot 74:sc= -2.35! USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ -96:sc=-0.00122 (180deg=-0.0922) USER MOD Single : A 36 ASN : amide:sc= -0.344 X(o=-0.34,f=0) USER MOD Single : A 39 LYS NZ :NH3+ -104:sc= 0.734 (180deg=-2.06!) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 MET CE :methyl 154:sc= -19.2! (180deg=-23.9!) USER MOD Single : A 55 MET CE :methyl -155:sc= -6.52! (180deg=-8.99!) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 62 MET CE :methyl -125:sc= -27.8! (180deg=-32.5!) USER MOD Single : A 65 ASN : amide:sc= -0.0401 K(o=-0.04,f=-2.7!) USER MOD Single : A 71 TYR OH : rot 120:sc= -5.05! USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 86 THR OG1 : rot 180:sc= 0.0193 USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 90 MET CE :methyl -144:sc= -2.09 (180deg=-3.2) USER MOD Single : A 95 GLN : amide:sc= -4.15 X(o=-4.1,f=-3.7) USER MOD Single : A 104 SER OG : rot 79:sc= 0.861 USER MOD Single : A 106 MET CE :methyl -178:sc= -9.84! (180deg=-10.1!) USER MOD Single : A 108 LYS NZ :NH3+ -138:sc=-0.00285 (180deg=-0.17) USER MOD Single : A 112 THR OG1 : rot 169:sc= -4.82! USER MOD Single : A 117 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 118 THR OG1 : rot 180:sc= 0.00731 USER MOD Single : A 119 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 122 TYR OH : rot 180:sc= 0 USER MOD Single : A 123 HIS : no HE2:sc= -20! C(o=-20!,f=-20!) USER MOD Single : A 131 LYS NZ :NH3+ 174:sc= 0.0109 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 28 89.023 -21.783 7.090 1.00 0.00 N ATOM 2 CA GLY A 28 89.273 -21.974 8.548 1.00 0.00 C ATOM 3 C GLY A 28 88.310 -23.029 9.096 1.00 0.00 C ATOM 4 O GLY A 28 88.576 -24.213 9.048 1.00 0.00 O ATOM 0 HA2 GLY A 28 90.304 -22.286 8.713 1.00 0.00 H new ATOM 0 HA3 GLY A 28 89.137 -21.031 9.078 1.00 0.00 H new ATOM 10 N SER A 29 87.190 -22.608 9.618 1.00 0.00 N ATOM 11 CA SER A 29 86.210 -23.588 10.170 1.00 0.00 C ATOM 12 C SER A 29 85.472 -24.298 9.032 1.00 0.00 C ATOM 13 O SER A 29 85.688 -25.465 8.772 1.00 0.00 O ATOM 14 CB SER A 29 85.237 -22.750 11.000 1.00 0.00 C ATOM 15 OG SER A 29 84.071 -23.514 11.276 1.00 0.00 O ATOM 0 H SER A 29 86.911 -21.629 9.686 1.00 0.00 H new ATOM 0 HA SER A 29 86.692 -24.363 10.766 1.00 0.00 H new ATOM 0 HB2 SER A 29 85.710 -22.440 11.931 1.00 0.00 H new ATOM 0 HB3 SER A 29 84.970 -21.842 10.460 1.00 0.00 H new ATOM 0 HG SER A 29 83.448 -22.978 11.809 1.00 0.00 H new ATOM 21 N GLY A 30 84.602 -23.603 8.352 1.00 0.00 N ATOM 22 CA GLY A 30 83.853 -24.240 7.232 1.00 0.00 C ATOM 23 C GLY A 30 83.174 -23.156 6.387 1.00 0.00 C ATOM 24 O GLY A 30 81.977 -22.970 6.472 1.00 0.00 O ATOM 0 H GLY A 30 84.378 -22.623 8.523 1.00 0.00 H new ATOM 0 HA2 GLY A 30 84.533 -24.826 6.613 1.00 0.00 H new ATOM 0 HA3 GLY A 30 83.106 -24.930 7.626 1.00 0.00 H new ATOM 28 N PRO A 31 83.962 -22.473 5.594 1.00 0.00 N ATOM 29 CA PRO A 31 83.425 -21.399 4.726 1.00 0.00 C ATOM 30 C PRO A 31 82.416 -21.973 3.728 1.00 0.00 C ATOM 31 O PRO A 31 81.248 -21.637 3.748 1.00 0.00 O ATOM 32 CB PRO A 31 84.678 -20.886 4.010 1.00 0.00 C ATOM 33 CG PRO A 31 85.895 -21.696 4.500 1.00 0.00 C ATOM 34 CD PRO A 31 85.421 -22.734 5.525 1.00 0.00 C ATOM 0 HA PRO A 31 82.893 -20.619 5.270 1.00 0.00 H new ATOM 0 HB2 PRO A 31 84.565 -20.989 2.931 1.00 0.00 H new ATOM 0 HB3 PRO A 31 84.823 -19.825 4.215 1.00 0.00 H new ATOM 0 HG2 PRO A 31 86.381 -22.191 3.660 1.00 0.00 H new ATOM 0 HG3 PRO A 31 86.633 -21.032 4.950 1.00 0.00 H new ATOM 0 HD2 PRO A 31 85.636 -23.752 5.201 1.00 0.00 H new ATOM 0 HD3 PRO A 31 85.904 -22.599 6.493 1.00 0.00 H new ATOM 42 N LYS A 32 82.858 -22.838 2.857 1.00 0.00 N ATOM 43 CA LYS A 32 81.925 -23.436 1.858 1.00 0.00 C ATOM 44 C LYS A 32 81.026 -22.353 1.255 1.00 0.00 C ATOM 45 O LYS A 32 81.407 -21.203 1.149 1.00 0.00 O ATOM 46 CB LYS A 32 81.092 -24.445 2.649 1.00 0.00 C ATOM 47 CG LYS A 32 82.025 -25.393 3.405 1.00 0.00 C ATOM 48 CD LYS A 32 81.280 -25.999 4.596 1.00 0.00 C ATOM 49 CE LYS A 32 81.552 -27.504 4.655 1.00 0.00 C ATOM 50 NZ LYS A 32 82.957 -27.617 5.142 1.00 0.00 N ATOM 0 H LYS A 32 83.825 -23.157 2.793 1.00 0.00 H new ATOM 0 HA LYS A 32 82.455 -23.905 1.029 1.00 0.00 H new ATOM 0 HB2 LYS A 32 80.439 -23.924 3.350 1.00 0.00 H new ATOM 0 HB3 LYS A 32 80.449 -25.011 1.975 1.00 0.00 H new ATOM 0 HG2 LYS A 32 82.374 -26.183 2.741 1.00 0.00 H new ATOM 0 HG3 LYS A 32 82.907 -24.854 3.750 1.00 0.00 H new ATOM 0 HD2 LYS A 32 81.604 -25.523 5.522 1.00 0.00 H new ATOM 0 HD3 LYS A 32 80.210 -25.815 4.501 1.00 0.00 H new ATOM 0 HE2 LYS A 32 80.858 -28.006 5.329 1.00 0.00 H new ATOM 0 HE3 LYS A 32 81.434 -27.966 3.675 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 83.598 -27.723 4.330 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 83.210 -26.760 5.673 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 83.044 -28.447 5.763 1.00 0.00 H new ATOM 64 N GLY A 33 79.834 -22.709 0.861 1.00 0.00 N ATOM 65 CA GLY A 33 78.914 -21.701 0.265 1.00 0.00 C ATOM 66 C GLY A 33 79.564 -21.088 -0.976 1.00 0.00 C ATOM 67 O GLY A 33 80.592 -21.541 -1.438 1.00 0.00 O ATOM 0 H GLY A 33 79.458 -23.655 0.926 1.00 0.00 H new ATOM 0 HA2 GLY A 33 77.967 -22.170 -0.002 1.00 0.00 H new ATOM 0 HA3 GLY A 33 78.690 -20.922 0.994 1.00 0.00 H new ATOM 71 N GLY A 34 78.974 -20.058 -1.521 1.00 0.00 N ATOM 72 CA GLY A 34 79.559 -19.417 -2.731 1.00 0.00 C ATOM 73 C GLY A 34 80.105 -18.035 -2.364 1.00 0.00 C ATOM 74 O GLY A 34 80.677 -17.346 -3.186 1.00 0.00 O ATOM 0 H GLY A 34 78.112 -19.634 -1.179 1.00 0.00 H new ATOM 0 HA2 GLY A 34 80.357 -20.039 -3.135 1.00 0.00 H new ATOM 0 HA3 GLY A 34 78.801 -19.325 -3.509 1.00 0.00 H new ATOM 78 N GLY A 35 79.934 -17.624 -1.137 1.00 0.00 N ATOM 79 CA GLY A 35 80.444 -16.287 -0.724 1.00 0.00 C ATOM 80 C GLY A 35 81.649 -16.466 0.202 1.00 0.00 C ATOM 81 O GLY A 35 81.913 -17.546 0.691 1.00 0.00 O ATOM 0 H GLY A 35 79.464 -18.156 -0.404 1.00 0.00 H new ATOM 0 HA2 GLY A 35 80.729 -15.707 -1.602 1.00 0.00 H new ATOM 0 HA3 GLY A 35 79.659 -15.728 -0.214 1.00 0.00 H new ATOM 85 N ASN A 36 82.381 -15.415 0.446 1.00 0.00 N ATOM 86 CA ASN A 36 83.569 -15.523 1.340 1.00 0.00 C ATOM 87 C ASN A 36 84.276 -14.171 1.436 1.00 0.00 C ATOM 88 O ASN A 36 84.645 -13.727 2.501 1.00 0.00 O ATOM 89 CB ASN A 36 84.475 -16.557 0.673 1.00 0.00 C ATOM 90 CG ASN A 36 85.836 -16.570 1.374 1.00 0.00 C ATOM 91 OD1 ASN A 36 85.920 -16.837 2.555 1.00 0.00 O ATOM 92 ND2 ASN A 36 86.912 -16.292 0.688 1.00 0.00 N ATOM 0 H ASN A 36 82.208 -14.485 0.065 1.00 0.00 H new ATOM 0 HA ASN A 36 83.300 -15.815 2.355 1.00 0.00 H new ATOM 0 HB2 ASN A 36 84.017 -17.545 0.725 1.00 0.00 H new ATOM 0 HB3 ASN A 36 84.600 -16.319 -0.383 1.00 0.00 H new ATOM 0 HD21 ASN A 36 87.824 -16.299 1.145 1.00 0.00 H new ATOM 0 HD22 ASN A 36 86.840 -16.068 -0.304 1.00 0.00 H new ATOM 99 N ALA A 37 84.461 -13.518 0.326 1.00 0.00 N ATOM 100 CA ALA A 37 85.138 -12.192 0.325 1.00 0.00 C ATOM 101 C ALA A 37 84.489 -11.287 -0.726 1.00 0.00 C ATOM 102 O ALA A 37 83.975 -11.758 -1.716 1.00 0.00 O ATOM 103 CB ALA A 37 86.593 -12.489 -0.041 1.00 0.00 C ATOM 0 H ALA A 37 84.169 -13.850 -0.593 1.00 0.00 H new ATOM 0 HA ALA A 37 85.063 -11.680 1.284 1.00 0.00 H new ATOM 0 HB1 ALA A 37 87.160 -11.558 -0.063 1.00 0.00 H new ATOM 0 HB2 ALA A 37 87.025 -13.160 0.701 1.00 0.00 H new ATOM 0 HB3 ALA A 37 86.632 -12.961 -1.023 1.00 0.00 H new ATOM 109 N VAL A 38 84.495 -10.000 -0.508 1.00 0.00 N ATOM 110 CA VAL A 38 83.868 -9.057 -1.493 1.00 0.00 C ATOM 111 C VAL A 38 84.609 -7.715 -1.436 1.00 0.00 C ATOM 112 O VAL A 38 85.117 -7.344 -0.396 1.00 0.00 O ATOM 113 CB VAL A 38 82.378 -8.906 -1.072 1.00 0.00 C ATOM 114 CG1 VAL A 38 82.076 -9.719 0.194 1.00 0.00 C ATOM 115 CG2 VAL A 38 82.033 -7.438 -0.798 1.00 0.00 C ATOM 0 H VAL A 38 84.907 -9.554 0.312 1.00 0.00 H new ATOM 0 HA VAL A 38 83.929 -9.422 -2.518 1.00 0.00 H new ATOM 0 HB VAL A 38 81.774 -9.279 -1.899 1.00 0.00 H new ATOM 0 HG11 VAL A 38 81.028 -9.595 0.465 1.00 0.00 H new ATOM 0 HG12 VAL A 38 82.280 -10.773 0.007 1.00 0.00 H new ATOM 0 HG13 VAL A 38 82.706 -9.367 1.011 1.00 0.00 H new ATOM 0 HG21 VAL A 38 80.986 -7.359 -0.506 1.00 0.00 H new ATOM 0 HG22 VAL A 38 82.664 -7.060 0.006 1.00 0.00 H new ATOM 0 HG23 VAL A 38 82.203 -6.850 -1.700 1.00 0.00 H new ATOM 125 N LYS A 39 84.679 -6.956 -2.509 1.00 0.00 N ATOM 126 CA LYS A 39 85.388 -5.665 -2.394 1.00 0.00 C ATOM 127 C LYS A 39 84.369 -4.601 -1.973 1.00 0.00 C ATOM 128 O LYS A 39 83.663 -4.039 -2.786 1.00 0.00 O ATOM 129 CB LYS A 39 85.934 -5.428 -3.790 1.00 0.00 C ATOM 130 CG LYS A 39 87.444 -5.222 -3.717 1.00 0.00 C ATOM 131 CD LYS A 39 87.730 -3.850 -3.113 1.00 0.00 C ATOM 132 CE LYS A 39 89.200 -3.492 -3.347 1.00 0.00 C ATOM 133 NZ LYS A 39 89.199 -2.033 -3.650 1.00 0.00 N ATOM 0 H LYS A 39 84.286 -7.175 -3.424 1.00 0.00 H new ATOM 0 HA LYS A 39 86.190 -5.641 -1.656 1.00 0.00 H new ATOM 0 HB2 LYS A 39 85.703 -6.278 -4.432 1.00 0.00 H new ATOM 0 HB3 LYS A 39 85.458 -4.554 -4.235 1.00 0.00 H new ATOM 0 HG2 LYS A 39 87.902 -6.003 -3.110 1.00 0.00 H new ATOM 0 HG3 LYS A 39 87.882 -5.294 -4.712 1.00 0.00 H new ATOM 0 HD2 LYS A 39 87.084 -3.098 -3.566 1.00 0.00 H new ATOM 0 HD3 LYS A 39 87.511 -3.857 -2.045 1.00 0.00 H new ATOM 0 HE2 LYS A 39 89.804 -3.712 -2.467 1.00 0.00 H new ATOM 0 HE3 LYS A 39 89.619 -4.066 -4.173 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 89.334 -1.890 -4.671 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 88.290 -1.619 -3.360 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 89.972 -1.570 -3.131 1.00 0.00 H new ATOM 147 N VAL A 40 84.257 -4.368 -0.689 1.00 0.00 N ATOM 148 CA VAL A 40 83.243 -3.391 -0.184 1.00 0.00 C ATOM 149 C VAL A 40 83.836 -2.005 0.101 1.00 0.00 C ATOM 150 O VAL A 40 84.988 -1.857 0.462 1.00 0.00 O ATOM 151 CB VAL A 40 82.682 -4.003 1.108 1.00 0.00 C ATOM 152 CG1 VAL A 40 81.650 -5.077 0.757 1.00 0.00 C ATOM 153 CG2 VAL A 40 83.805 -4.631 1.937 1.00 0.00 C ATOM 0 H VAL A 40 84.825 -4.813 0.032 1.00 0.00 H new ATOM 0 HA VAL A 40 82.476 -3.228 -0.941 1.00 0.00 H new ATOM 0 HB VAL A 40 82.212 -3.213 1.694 1.00 0.00 H new ATOM 0 HG11 VAL A 40 81.251 -5.512 1.674 1.00 0.00 H new ATOM 0 HG12 VAL A 40 80.838 -4.628 0.185 1.00 0.00 H new ATOM 0 HG13 VAL A 40 82.125 -5.857 0.162 1.00 0.00 H new ATOM 0 HG21 VAL A 40 83.388 -5.059 2.849 1.00 0.00 H new ATOM 0 HG22 VAL A 40 84.291 -5.415 1.357 1.00 0.00 H new ATOM 0 HG23 VAL A 40 84.537 -3.866 2.197 1.00 0.00 H new ATOM 163 N ARG A 41 83.020 -0.993 -0.050 1.00 0.00 N ATOM 164 CA ARG A 41 83.451 0.413 0.211 1.00 0.00 C ATOM 165 C ARG A 41 82.409 1.068 1.128 1.00 0.00 C ATOM 166 O ARG A 41 81.258 0.680 1.121 1.00 0.00 O ATOM 167 CB ARG A 41 83.478 1.069 -1.168 1.00 0.00 C ATOM 168 CG ARG A 41 84.775 0.671 -1.878 1.00 0.00 C ATOM 169 CD ARG A 41 84.550 -0.619 -2.671 1.00 0.00 C ATOM 170 NE ARG A 41 84.548 -0.195 -4.100 1.00 0.00 N ATOM 171 CZ ARG A 41 85.064 -0.973 -5.011 1.00 0.00 C ATOM 172 NH1 ARG A 41 84.720 -2.231 -5.067 1.00 0.00 N ATOM 173 NH2 ARG A 41 85.924 -0.493 -5.868 1.00 0.00 N ATOM 0 H ARG A 41 82.050 -1.086 -0.351 1.00 0.00 H new ATOM 0 HA ARG A 41 84.421 0.500 0.701 1.00 0.00 H new ATOM 0 HB2 ARG A 41 82.615 0.753 -1.753 1.00 0.00 H new ATOM 0 HB3 ARG A 41 83.418 2.153 -1.072 1.00 0.00 H new ATOM 0 HG2 ARG A 41 85.096 1.470 -2.547 1.00 0.00 H new ATOM 0 HG3 ARG A 41 85.572 0.527 -1.148 1.00 0.00 H new ATOM 0 HD2 ARG A 41 85.339 -1.346 -2.476 1.00 0.00 H new ATOM 0 HD3 ARG A 41 83.606 -1.091 -2.398 1.00 0.00 H new ATOM 0 HE ARG A 41 84.143 0.703 -4.365 1.00 0.00 H new ATOM 0 HH11 ARG A 41 84.047 -2.606 -4.398 1.00 0.00 H new ATOM 0 HH12 ARG A 41 85.124 -2.839 -5.780 1.00 0.00 H new ATOM 0 HH21 ARG A 41 86.192 0.490 -5.825 1.00 0.00 H new ATOM 0 HH22 ARG A 41 86.328 -1.101 -6.580 1.00 0.00 H new ATOM 187 N HIS A 42 82.781 2.013 1.956 1.00 0.00 N ATOM 188 CA HIS A 42 81.750 2.588 2.878 1.00 0.00 C ATOM 189 C HIS A 42 81.657 4.123 2.818 1.00 0.00 C ATOM 190 O HIS A 42 82.637 4.823 2.968 1.00 0.00 O ATOM 191 CB HIS A 42 82.207 2.130 4.265 1.00 0.00 C ATOM 192 CG HIS A 42 83.327 3.009 4.752 1.00 0.00 C ATOM 193 ND1 HIS A 42 83.174 3.878 5.819 1.00 0.00 N ATOM 194 CD2 HIS A 42 84.625 3.161 4.328 1.00 0.00 C ATOM 195 CE1 HIS A 42 84.348 4.510 6.001 1.00 0.00 C ATOM 196 NE2 HIS A 42 85.267 4.109 5.118 1.00 0.00 N ATOM 0 H HIS A 42 83.721 2.402 2.035 1.00 0.00 H new ATOM 0 HA HIS A 42 80.750 2.249 2.606 1.00 0.00 H new ATOM 0 HB2 HIS A 42 81.372 2.170 4.964 1.00 0.00 H new ATOM 0 HB3 HIS A 42 82.539 1.093 4.224 1.00 0.00 H new ATOM 0 HD1 HIS A 42 82.325 4.014 6.368 1.00 0.00 H new ATOM 0 HD2 HIS A 42 85.078 2.626 3.506 1.00 0.00 H new ATOM 0 HE1 HIS A 42 84.526 5.251 6.767 1.00 0.00 H new ATOM 204 N ILE A 43 80.461 4.646 2.635 1.00 0.00 N ATOM 205 CA ILE A 43 80.280 6.133 2.609 1.00 0.00 C ATOM 206 C ILE A 43 79.196 6.558 3.634 1.00 0.00 C ATOM 207 O ILE A 43 78.036 6.239 3.484 1.00 0.00 O ATOM 208 CB ILE A 43 79.885 6.485 1.157 1.00 0.00 C ATOM 209 CG1 ILE A 43 80.784 7.621 0.664 1.00 0.00 C ATOM 210 CG2 ILE A 43 78.426 6.939 1.070 1.00 0.00 C ATOM 211 CD1 ILE A 43 80.291 8.101 -0.702 1.00 0.00 C ATOM 0 H ILE A 43 79.606 4.105 2.503 1.00 0.00 H new ATOM 0 HA ILE A 43 81.187 6.667 2.893 1.00 0.00 H new ATOM 0 HB ILE A 43 80.006 5.594 0.541 1.00 0.00 H new ATOM 0 HG12 ILE A 43 80.772 8.445 1.378 1.00 0.00 H new ATOM 0 HG13 ILE A 43 81.816 7.278 0.591 1.00 0.00 H new ATOM 0 HG21 ILE A 43 78.181 7.179 0.035 1.00 0.00 H new ATOM 0 HG22 ILE A 43 77.774 6.139 1.421 1.00 0.00 H new ATOM 0 HG23 ILE A 43 78.282 7.823 1.691 1.00 0.00 H new ATOM 0 HD11 ILE A 43 80.930 8.910 -1.056 1.00 0.00 H new ATOM 0 HD12 ILE A 43 80.326 7.275 -1.412 1.00 0.00 H new ATOM 0 HD13 ILE A 43 79.266 8.460 -0.613 1.00 0.00 H new ATOM 223 N LEU A 44 79.567 7.264 4.681 1.00 0.00 N ATOM 224 CA LEU A 44 78.558 7.688 5.715 1.00 0.00 C ATOM 225 C LEU A 44 78.005 9.082 5.429 1.00 0.00 C ATOM 226 O LEU A 44 78.685 9.955 4.944 1.00 0.00 O ATOM 227 CB LEU A 44 79.343 7.794 7.026 1.00 0.00 C ATOM 228 CG LEU A 44 79.112 6.606 7.952 1.00 0.00 C ATOM 229 CD1 LEU A 44 79.476 7.016 9.379 1.00 0.00 C ATOM 230 CD2 LEU A 44 77.644 6.183 7.938 1.00 0.00 C ATOM 0 H LEU A 44 80.524 7.565 4.865 1.00 0.00 H new ATOM 0 HA LEU A 44 77.729 6.980 5.733 1.00 0.00 H new ATOM 0 HB2 LEU A 44 80.407 7.872 6.802 1.00 0.00 H new ATOM 0 HB3 LEU A 44 79.058 8.711 7.541 1.00 0.00 H new ATOM 0 HG LEU A 44 79.728 5.774 7.610 1.00 0.00 H new ATOM 0 HD11 LEU A 44 79.315 6.174 10.052 1.00 0.00 H new ATOM 0 HD12 LEU A 44 80.524 7.315 9.416 1.00 0.00 H new ATOM 0 HD13 LEU A 44 78.849 7.852 9.688 1.00 0.00 H new ATOM 0 HD21 LEU A 44 77.504 5.333 8.606 1.00 0.00 H new ATOM 0 HD22 LEU A 44 77.023 7.014 8.272 1.00 0.00 H new ATOM 0 HD23 LEU A 44 77.357 5.899 6.926 1.00 0.00 H new ATOM 242 N CYS A 45 76.796 9.326 5.798 1.00 0.00 N ATOM 243 CA CYS A 45 76.248 10.688 5.601 1.00 0.00 C ATOM 244 C CYS A 45 76.522 11.517 6.859 1.00 0.00 C ATOM 245 O CYS A 45 76.526 12.730 6.831 1.00 0.00 O ATOM 246 CB CYS A 45 74.753 10.492 5.393 1.00 0.00 C ATOM 247 SG CYS A 45 74.064 9.616 6.819 1.00 0.00 S ATOM 0 H CYS A 45 76.162 8.651 6.225 1.00 0.00 H new ATOM 0 HA CYS A 45 76.696 11.212 4.756 1.00 0.00 H new ATOM 0 HB2 CYS A 45 74.261 11.457 5.271 1.00 0.00 H new ATOM 0 HB3 CYS A 45 74.572 9.925 4.480 1.00 0.00 H new ATOM 0 HG CYS A 45 73.766 10.472 7.751 1.00 0.00 H new ATOM 253 N GLU A 46 76.751 10.866 7.970 1.00 0.00 N ATOM 254 CA GLU A 46 77.021 11.603 9.238 1.00 0.00 C ATOM 255 C GLU A 46 75.769 12.370 9.667 1.00 0.00 C ATOM 256 O GLU A 46 75.264 12.204 10.760 1.00 0.00 O ATOM 257 CB GLU A 46 78.158 12.570 8.904 1.00 0.00 C ATOM 258 CG GLU A 46 78.971 12.857 10.167 1.00 0.00 C ATOM 259 CD GLU A 46 80.371 13.333 9.776 1.00 0.00 C ATOM 260 OE1 GLU A 46 81.029 12.626 9.030 1.00 0.00 O ATOM 261 OE2 GLU A 46 80.762 14.397 10.228 1.00 0.00 O ATOM 0 H GLU A 46 76.762 9.849 8.053 1.00 0.00 H new ATOM 0 HA GLU A 46 77.288 10.937 10.059 1.00 0.00 H new ATOM 0 HB2 GLU A 46 78.800 12.141 8.135 1.00 0.00 H new ATOM 0 HB3 GLU A 46 77.753 13.498 8.500 1.00 0.00 H new ATOM 0 HG2 GLU A 46 78.472 13.617 10.769 1.00 0.00 H new ATOM 0 HG3 GLU A 46 79.039 11.959 10.780 1.00 0.00 H new ATOM 268 N LYS A 47 75.265 13.201 8.803 1.00 0.00 N ATOM 269 CA LYS A 47 74.043 13.982 9.125 1.00 0.00 C ATOM 270 C LYS A 47 72.908 13.566 8.183 1.00 0.00 C ATOM 271 O LYS A 47 71.860 14.180 8.151 1.00 0.00 O ATOM 272 CB LYS A 47 74.439 15.441 8.894 1.00 0.00 C ATOM 273 CG LYS A 47 74.489 15.731 7.391 1.00 0.00 C ATOM 274 CD LYS A 47 75.304 17.000 7.143 1.00 0.00 C ATOM 275 CE LYS A 47 76.478 16.680 6.214 1.00 0.00 C ATOM 276 NZ LYS A 47 77.111 17.998 5.928 1.00 0.00 N ATOM 0 H LYS A 47 75.653 13.374 7.876 1.00 0.00 H new ATOM 0 HA LYS A 47 73.690 13.819 10.143 1.00 0.00 H new ATOM 0 HB2 LYS A 47 73.722 16.104 9.378 1.00 0.00 H new ATOM 0 HB3 LYS A 47 75.411 15.640 9.345 1.00 0.00 H new ATOM 0 HG2 LYS A 47 74.937 14.890 6.862 1.00 0.00 H new ATOM 0 HG3 LYS A 47 73.479 15.852 7.000 1.00 0.00 H new ATOM 0 HD2 LYS A 47 74.673 17.769 6.697 1.00 0.00 H new ATOM 0 HD3 LYS A 47 75.673 17.399 8.088 1.00 0.00 H new ATOM 0 HE2 LYS A 47 77.183 15.998 6.689 1.00 0.00 H new ATOM 0 HE3 LYS A 47 76.137 16.198 5.298 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 77.926 17.862 5.296 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 76.418 18.624 5.470 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 77.432 18.429 6.818 1.00 0.00 H new ATOM 290 N HIS A 48 73.115 12.522 7.420 1.00 0.00 N ATOM 291 CA HIS A 48 72.053 12.055 6.484 1.00 0.00 C ATOM 292 C HIS A 48 71.660 13.177 5.526 1.00 0.00 C ATOM 293 O HIS A 48 70.556 13.230 5.023 1.00 0.00 O ATOM 294 CB HIS A 48 70.896 11.663 7.394 1.00 0.00 C ATOM 295 CG HIS A 48 71.297 10.447 8.192 1.00 0.00 C ATOM 296 ND1 HIS A 48 72.444 10.420 8.976 1.00 0.00 N ATOM 297 CD2 HIS A 48 70.739 9.197 8.305 1.00 0.00 C ATOM 298 CE1 HIS A 48 72.543 9.189 9.512 1.00 0.00 C ATOM 299 NE2 HIS A 48 71.527 8.405 9.139 1.00 0.00 N ATOM 0 H HIS A 48 73.975 11.974 7.407 1.00 0.00 H new ATOM 0 HA HIS A 48 72.373 11.224 5.856 1.00 0.00 H new ATOM 0 HB2 HIS A 48 70.645 12.487 8.062 1.00 0.00 H new ATOM 0 HB3 HIS A 48 70.006 11.450 6.802 1.00 0.00 H new ATOM 0 HD2 HIS A 48 69.828 8.876 7.821 1.00 0.00 H new ATOM 0 HE1 HIS A 48 73.345 8.874 10.163 1.00 0.00 H new ATOM 0 HE2 HIS A 48 71.363 7.435 9.407 1.00 0.00 H new ATOM 307 N GLY A 49 72.571 14.070 5.271 1.00 0.00 N ATOM 308 CA GLY A 49 72.285 15.199 4.341 1.00 0.00 C ATOM 309 C GLY A 49 73.018 14.976 3.011 1.00 0.00 C ATOM 310 O GLY A 49 72.582 15.431 1.973 1.00 0.00 O ATOM 0 H GLY A 49 73.510 14.068 5.669 1.00 0.00 H new ATOM 0 HA2 GLY A 49 71.212 15.276 4.167 1.00 0.00 H new ATOM 0 HA3 GLY A 49 72.603 16.140 4.789 1.00 0.00 H new ATOM 314 N LYS A 50 74.129 14.282 3.030 1.00 0.00 N ATOM 315 CA LYS A 50 74.878 14.043 1.757 1.00 0.00 C ATOM 316 C LYS A 50 74.716 12.603 1.293 1.00 0.00 C ATOM 317 O LYS A 50 75.175 12.240 0.232 1.00 0.00 O ATOM 318 CB LYS A 50 76.345 14.366 2.073 1.00 0.00 C ATOM 319 CG LYS A 50 77.010 13.216 2.834 1.00 0.00 C ATOM 320 CD LYS A 50 77.034 13.559 4.319 1.00 0.00 C ATOM 321 CE LYS A 50 78.429 13.279 4.885 1.00 0.00 C ATOM 322 NZ LYS A 50 79.024 14.626 5.118 1.00 0.00 N ATOM 0 H LYS A 50 74.548 13.873 3.865 1.00 0.00 H new ATOM 0 HA LYS A 50 74.502 14.665 0.945 1.00 0.00 H new ATOM 0 HB2 LYS A 50 76.887 14.555 1.146 1.00 0.00 H new ATOM 0 HB3 LYS A 50 76.400 15.279 2.666 1.00 0.00 H new ATOM 0 HG2 LYS A 50 76.462 12.288 2.670 1.00 0.00 H new ATOM 0 HG3 LYS A 50 78.024 13.057 2.467 1.00 0.00 H new ATOM 0 HD2 LYS A 50 76.774 14.607 4.465 1.00 0.00 H new ATOM 0 HD3 LYS A 50 76.288 12.969 4.852 1.00 0.00 H new ATOM 0 HE2 LYS A 50 78.372 12.706 5.811 1.00 0.00 H new ATOM 0 HE3 LYS A 50 79.030 12.697 4.186 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 79.650 14.590 5.948 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 79.573 14.912 4.282 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 78.265 15.316 5.287 1.00 0.00 H new ATOM 336 N ILE A 51 74.058 11.772 2.056 1.00 0.00 N ATOM 337 CA ILE A 51 73.881 10.373 1.592 1.00 0.00 C ATOM 338 C ILE A 51 73.390 10.417 0.151 1.00 0.00 C ATOM 339 O ILE A 51 73.719 9.575 -0.661 1.00 0.00 O ATOM 340 CB ILE A 51 72.832 9.748 2.507 1.00 0.00 C ATOM 341 CG1 ILE A 51 72.834 8.233 2.297 1.00 0.00 C ATOM 342 CG2 ILE A 51 71.450 10.308 2.171 1.00 0.00 C ATOM 343 CD1 ILE A 51 74.264 7.698 2.435 1.00 0.00 C ATOM 0 H ILE A 51 73.645 11.997 2.961 1.00 0.00 H new ATOM 0 HA ILE A 51 74.802 9.792 1.627 1.00 0.00 H new ATOM 0 HB ILE A 51 73.066 9.981 3.546 1.00 0.00 H new ATOM 0 HG12 ILE A 51 72.183 7.753 3.028 1.00 0.00 H new ATOM 0 HG13 ILE A 51 72.438 7.992 1.311 1.00 0.00 H new ATOM 0 HG21 ILE A 51 70.706 9.858 2.828 1.00 0.00 H new ATOM 0 HG22 ILE A 51 71.451 11.389 2.311 1.00 0.00 H new ATOM 0 HG23 ILE A 51 71.206 10.077 1.134 1.00 0.00 H new ATOM 0 HD11 ILE A 51 74.265 6.618 2.285 1.00 0.00 H new ATOM 0 HD12 ILE A 51 74.902 8.168 1.687 1.00 0.00 H new ATOM 0 HD13 ILE A 51 74.643 7.926 3.431 1.00 0.00 H new ATOM 355 N MET A 52 72.627 11.423 -0.177 1.00 0.00 N ATOM 356 CA MET A 52 72.143 11.556 -1.569 1.00 0.00 C ATOM 357 C MET A 52 73.253 12.167 -2.407 1.00 0.00 C ATOM 358 O MET A 52 73.617 11.655 -3.442 1.00 0.00 O ATOM 359 CB MET A 52 70.929 12.481 -1.501 1.00 0.00 C ATOM 360 CG MET A 52 69.718 11.776 -2.111 1.00 0.00 C ATOM 361 SD MET A 52 69.524 12.290 -3.836 1.00 0.00 S ATOM 362 CE MET A 52 71.238 12.019 -4.347 1.00 0.00 C ATOM 0 H MET A 52 72.321 12.156 0.463 1.00 0.00 H new ATOM 0 HA MET A 52 71.869 10.602 -2.020 1.00 0.00 H new ATOM 0 HB2 MET A 52 70.722 12.752 -0.466 1.00 0.00 H new ATOM 0 HB3 MET A 52 71.133 13.407 -2.038 1.00 0.00 H new ATOM 0 HG2 MET A 52 69.847 10.695 -2.055 1.00 0.00 H new ATOM 0 HG3 MET A 52 68.819 12.019 -1.545 1.00 0.00 H new ATOM 0 HE1 MET A 52 71.271 11.823 -5.419 1.00 0.00 H new ATOM 0 HE2 MET A 52 71.829 12.907 -4.122 1.00 0.00 H new ATOM 0 HE3 MET A 52 71.647 11.164 -3.809 1.00 0.00 H new ATOM 372 N GLU A 53 73.840 13.225 -1.943 1.00 0.00 N ATOM 373 CA GLU A 53 74.960 13.812 -2.689 1.00 0.00 C ATOM 374 C GLU A 53 75.951 12.694 -2.910 1.00 0.00 C ATOM 375 O GLU A 53 76.653 12.637 -3.896 1.00 0.00 O ATOM 376 CB GLU A 53 75.543 14.887 -1.782 1.00 0.00 C ATOM 377 CG GLU A 53 76.245 15.911 -2.655 1.00 0.00 C ATOM 378 CD GLU A 53 76.691 17.102 -1.803 1.00 0.00 C ATOM 379 OE1 GLU A 53 76.838 16.925 -0.604 1.00 0.00 O ATOM 380 OE2 GLU A 53 76.878 18.169 -2.363 1.00 0.00 O ATOM 0 H GLU A 53 73.588 13.705 -1.079 1.00 0.00 H new ATOM 0 HA GLU A 53 74.683 14.247 -3.649 1.00 0.00 H new ATOM 0 HB2 GLU A 53 74.754 15.361 -1.198 1.00 0.00 H new ATOM 0 HB3 GLU A 53 76.244 14.447 -1.072 1.00 0.00 H new ATOM 0 HG2 GLU A 53 77.108 15.457 -3.141 1.00 0.00 H new ATOM 0 HG3 GLU A 53 75.575 16.249 -3.446 1.00 0.00 H new ATOM 387 N ALA A 54 75.968 11.769 -1.994 1.00 0.00 N ATOM 388 CA ALA A 54 76.871 10.607 -2.151 1.00 0.00 C ATOM 389 C ALA A 54 76.269 9.710 -3.219 1.00 0.00 C ATOM 390 O ALA A 54 76.963 9.107 -4.013 1.00 0.00 O ATOM 391 CB ALA A 54 76.884 9.911 -0.790 1.00 0.00 C ATOM 0 H ALA A 54 75.397 11.770 -1.149 1.00 0.00 H new ATOM 0 HA ALA A 54 77.885 10.872 -2.449 1.00 0.00 H new ATOM 0 HB1 ALA A 54 77.535 9.038 -0.834 1.00 0.00 H new ATOM 0 HB2 ALA A 54 77.253 10.602 -0.032 1.00 0.00 H new ATOM 0 HB3 ALA A 54 75.873 9.596 -0.533 1.00 0.00 H new ATOM 397 N MET A 55 74.966 9.650 -3.254 1.00 0.00 N ATOM 398 CA MET A 55 74.281 8.816 -4.284 1.00 0.00 C ATOM 399 C MET A 55 74.290 9.544 -5.633 1.00 0.00 C ATOM 400 O MET A 55 74.805 9.049 -6.616 1.00 0.00 O ATOM 401 CB MET A 55 72.850 8.651 -3.777 1.00 0.00 C ATOM 402 CG MET A 55 72.798 7.542 -2.725 1.00 0.00 C ATOM 403 SD MET A 55 71.071 7.147 -2.351 1.00 0.00 S ATOM 404 CE MET A 55 71.214 7.170 -0.548 1.00 0.00 C ATOM 0 H MET A 55 74.344 10.143 -2.613 1.00 0.00 H new ATOM 0 HA MET A 55 74.772 7.854 -4.432 1.00 0.00 H new ATOM 0 HB2 MET A 55 72.496 9.589 -3.348 1.00 0.00 H new ATOM 0 HB3 MET A 55 72.186 8.409 -4.607 1.00 0.00 H new ATOM 0 HG2 MET A 55 73.314 6.654 -3.091 1.00 0.00 H new ATOM 0 HG3 MET A 55 73.314 7.861 -1.819 1.00 0.00 H new ATOM 0 HE1 MET A 55 70.434 6.545 -0.113 1.00 0.00 H new ATOM 0 HE2 MET A 55 72.192 6.787 -0.256 1.00 0.00 H new ATOM 0 HE3 MET A 55 71.103 8.192 -0.187 1.00 0.00 H new ATOM 414 N GLU A 56 73.726 10.723 -5.684 1.00 0.00 N ATOM 415 CA GLU A 56 73.701 11.490 -6.962 1.00 0.00 C ATOM 416 C GLU A 56 75.107 11.570 -7.551 1.00 0.00 C ATOM 417 O GLU A 56 75.382 11.000 -8.586 1.00 0.00 O ATOM 418 CB GLU A 56 73.202 12.885 -6.585 1.00 0.00 C ATOM 419 CG GLU A 56 71.890 13.173 -7.318 1.00 0.00 C ATOM 420 CD GLU A 56 71.239 14.423 -6.724 1.00 0.00 C ATOM 421 OE1 GLU A 56 71.922 15.428 -6.617 1.00 0.00 O ATOM 422 OE2 GLU A 56 70.067 14.355 -6.388 1.00 0.00 O ATOM 0 H GLU A 56 73.281 11.188 -4.893 1.00 0.00 H new ATOM 0 HA GLU A 56 73.063 11.020 -7.711 1.00 0.00 H new ATOM 0 HB2 GLU A 56 73.051 12.950 -5.507 1.00 0.00 H new ATOM 0 HB3 GLU A 56 73.950 13.634 -6.848 1.00 0.00 H new ATOM 0 HG2 GLU A 56 72.079 13.319 -8.381 1.00 0.00 H new ATOM 0 HG3 GLU A 56 71.216 12.321 -7.228 1.00 0.00 H new ATOM 429 N LYS A 57 75.999 12.268 -6.896 1.00 0.00 N ATOM 430 CA LYS A 57 77.391 12.375 -7.421 1.00 0.00 C ATOM 431 C LYS A 57 77.826 11.022 -7.988 1.00 0.00 C ATOM 432 O LYS A 57 77.967 10.861 -9.184 1.00 0.00 O ATOM 433 CB LYS A 57 78.239 12.765 -6.217 1.00 0.00 C ATOM 434 CG LYS A 57 77.932 14.217 -5.842 1.00 0.00 C ATOM 435 CD LYS A 57 79.216 15.042 -5.910 1.00 0.00 C ATOM 436 CE LYS A 57 79.486 15.464 -7.356 1.00 0.00 C ATOM 437 NZ LYS A 57 78.753 16.753 -7.517 1.00 0.00 N ATOM 0 H LYS A 57 75.823 12.766 -6.024 1.00 0.00 H new ATOM 0 HA LYS A 57 77.487 13.104 -8.225 1.00 0.00 H new ATOM 0 HB2 LYS A 57 78.025 12.105 -5.376 1.00 0.00 H new ATOM 0 HB3 LYS A 57 79.298 12.652 -6.449 1.00 0.00 H new ATOM 0 HG2 LYS A 57 77.186 14.629 -6.521 1.00 0.00 H new ATOM 0 HG3 LYS A 57 77.510 14.263 -4.838 1.00 0.00 H new ATOM 0 HD2 LYS A 57 79.127 15.923 -5.275 1.00 0.00 H new ATOM 0 HD3 LYS A 57 80.054 14.459 -5.529 1.00 0.00 H new ATOM 0 HE2 LYS A 57 80.553 15.590 -7.539 1.00 0.00 H new ATOM 0 HE3 LYS A 57 79.128 14.714 -8.061 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 78.888 17.110 -8.484 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 77.739 16.600 -7.342 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 79.120 17.449 -6.837 1.00 0.00 H new ATOM 451 N LEU A 58 78.029 10.044 -7.146 1.00 0.00 N ATOM 452 CA LEU A 58 78.439 8.705 -7.651 1.00 0.00 C ATOM 453 C LEU A 58 77.643 8.335 -8.909 1.00 0.00 C ATOM 454 O LEU A 58 78.135 7.648 -9.783 1.00 0.00 O ATOM 455 CB LEU A 58 78.105 7.746 -6.512 1.00 0.00 C ATOM 456 CG LEU A 58 79.392 7.347 -5.794 1.00 0.00 C ATOM 457 CD1 LEU A 58 79.691 8.335 -4.665 1.00 0.00 C ATOM 458 CD2 LEU A 58 79.234 5.940 -5.212 1.00 0.00 C ATOM 0 H LEU A 58 77.929 10.116 -6.133 1.00 0.00 H new ATOM 0 HA LEU A 58 79.493 8.674 -7.927 1.00 0.00 H new ATOM 0 HB2 LEU A 58 77.417 8.220 -5.812 1.00 0.00 H new ATOM 0 HB3 LEU A 58 77.603 6.861 -6.902 1.00 0.00 H new ATOM 0 HG LEU A 58 80.217 7.360 -6.506 1.00 0.00 H new ATOM 0 HD11 LEU A 58 80.611 8.042 -4.159 1.00 0.00 H new ATOM 0 HD12 LEU A 58 79.808 9.336 -5.079 1.00 0.00 H new ATOM 0 HD13 LEU A 58 78.867 8.332 -3.951 1.00 0.00 H new ATOM 0 HD21 LEU A 58 80.152 5.653 -4.699 1.00 0.00 H new ATOM 0 HD22 LEU A 58 78.405 5.930 -4.505 1.00 0.00 H new ATOM 0 HD23 LEU A 58 79.033 5.234 -6.017 1.00 0.00 H new ATOM 470 N LYS A 59 76.415 8.779 -9.010 1.00 0.00 N ATOM 471 CA LYS A 59 75.599 8.443 -10.214 1.00 0.00 C ATOM 472 C LYS A 59 75.967 9.376 -11.373 1.00 0.00 C ATOM 473 O LYS A 59 75.882 9.013 -12.529 1.00 0.00 O ATOM 474 CB LYS A 59 74.133 8.610 -9.766 1.00 0.00 C ATOM 475 CG LYS A 59 73.554 9.953 -10.228 1.00 0.00 C ATOM 476 CD LYS A 59 72.836 9.766 -11.568 1.00 0.00 C ATOM 477 CE LYS A 59 71.370 9.405 -11.316 1.00 0.00 C ATOM 478 NZ LYS A 59 71.190 8.074 -11.962 1.00 0.00 N ATOM 0 H LYS A 59 75.945 9.357 -8.313 1.00 0.00 H new ATOM 0 HA LYS A 59 75.775 7.431 -10.580 1.00 0.00 H new ATOM 0 HB2 LYS A 59 73.533 7.795 -10.171 1.00 0.00 H new ATOM 0 HB3 LYS A 59 74.073 8.541 -8.680 1.00 0.00 H new ATOM 0 HG2 LYS A 59 72.859 10.338 -9.482 1.00 0.00 H new ATOM 0 HG3 LYS A 59 74.351 10.689 -10.330 1.00 0.00 H new ATOM 0 HD2 LYS A 59 72.900 10.680 -12.158 1.00 0.00 H new ATOM 0 HD3 LYS A 59 73.321 8.979 -12.146 1.00 0.00 H new ATOM 0 HE2 LYS A 59 71.151 9.360 -10.249 1.00 0.00 H new ATOM 0 HE3 LYS A 59 70.700 10.148 -11.748 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 70.208 7.756 -11.834 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 71.399 8.150 -12.978 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 71.837 7.386 -11.526 1.00 0.00 H new ATOM 492 N SER A 60 76.379 10.573 -11.064 1.00 0.00 N ATOM 493 CA SER A 60 76.759 11.532 -12.138 1.00 0.00 C ATOM 494 C SER A 60 78.156 11.192 -12.647 1.00 0.00 C ATOM 495 O SER A 60 78.398 11.117 -13.834 1.00 0.00 O ATOM 496 CB SER A 60 76.748 12.906 -11.467 1.00 0.00 C ATOM 497 OG SER A 60 75.569 13.043 -10.687 1.00 0.00 O ATOM 0 H SER A 60 76.469 10.929 -10.113 1.00 0.00 H new ATOM 0 HA SER A 60 76.083 11.499 -12.993 1.00 0.00 H new ATOM 0 HB2 SER A 60 77.629 13.022 -10.836 1.00 0.00 H new ATOM 0 HB3 SER A 60 76.791 13.691 -12.222 1.00 0.00 H new ATOM 0 HG SER A 60 75.563 13.923 -10.256 1.00 0.00 H new ATOM 503 N GLY A 61 79.075 10.965 -11.750 1.00 0.00 N ATOM 504 CA GLY A 61 80.452 10.609 -12.177 1.00 0.00 C ATOM 505 C GLY A 61 81.456 11.617 -11.617 1.00 0.00 C ATOM 506 O GLY A 61 82.394 12.002 -12.285 1.00 0.00 O ATOM 0 H GLY A 61 78.930 11.011 -10.741 1.00 0.00 H new ATOM 0 HA2 GLY A 61 80.700 9.606 -11.830 1.00 0.00 H new ATOM 0 HA3 GLY A 61 80.510 10.593 -13.265 1.00 0.00 H new ATOM 510 N MET A 62 81.283 12.041 -10.393 1.00 0.00 N ATOM 511 CA MET A 62 82.252 13.010 -9.814 1.00 0.00 C ATOM 512 C MET A 62 83.481 12.255 -9.306 1.00 0.00 C ATOM 513 O MET A 62 83.750 11.142 -9.714 1.00 0.00 O ATOM 514 CB MET A 62 81.487 13.688 -8.662 1.00 0.00 C ATOM 515 CG MET A 62 81.657 12.911 -7.343 1.00 0.00 C ATOM 516 SD MET A 62 81.372 11.143 -7.622 1.00 0.00 S ATOM 517 CE MET A 62 80.690 10.763 -5.999 1.00 0.00 C ATOM 0 H MET A 62 80.520 11.761 -9.777 1.00 0.00 H new ATOM 0 HA MET A 62 82.611 13.745 -10.534 1.00 0.00 H new ATOM 0 HB2 MET A 62 81.848 14.709 -8.534 1.00 0.00 H new ATOM 0 HB3 MET A 62 80.429 13.753 -8.914 1.00 0.00 H new ATOM 0 HG2 MET A 62 82.660 13.068 -6.946 1.00 0.00 H new ATOM 0 HG3 MET A 62 80.957 13.287 -6.597 1.00 0.00 H new ATOM 0 HE1 MET A 62 81.261 9.953 -5.545 1.00 0.00 H new ATOM 0 HE2 MET A 62 80.747 11.647 -5.364 1.00 0.00 H new ATOM 0 HE3 MET A 62 79.649 10.459 -6.104 1.00 0.00 H new ATOM 527 N ARG A 63 84.202 12.829 -8.395 1.00 0.00 N ATOM 528 CA ARG A 63 85.379 12.116 -7.836 1.00 0.00 C ATOM 529 C ARG A 63 84.899 10.979 -6.951 1.00 0.00 C ATOM 530 O ARG A 63 83.861 11.058 -6.337 1.00 0.00 O ATOM 531 CB ARG A 63 86.124 13.106 -6.944 1.00 0.00 C ATOM 532 CG ARG A 63 86.018 14.523 -7.479 1.00 0.00 C ATOM 533 CD ARG A 63 84.903 15.281 -6.734 1.00 0.00 C ATOM 534 NE ARG A 63 85.531 16.561 -6.300 1.00 0.00 N ATOM 535 CZ ARG A 63 85.584 17.571 -7.126 1.00 0.00 C ATOM 536 NH1 ARG A 63 84.503 17.962 -7.745 1.00 0.00 N ATOM 537 NH2 ARG A 63 86.715 18.186 -7.335 1.00 0.00 N ATOM 0 H ARG A 63 84.031 13.759 -8.012 1.00 0.00 H new ATOM 0 HA ARG A 63 86.008 11.731 -8.638 1.00 0.00 H new ATOM 0 HB2 ARG A 63 85.717 13.066 -5.934 1.00 0.00 H new ATOM 0 HB3 ARG A 63 87.173 12.819 -6.876 1.00 0.00 H new ATOM 0 HG2 ARG A 63 86.969 15.041 -7.353 1.00 0.00 H new ATOM 0 HG3 ARG A 63 85.805 14.503 -8.548 1.00 0.00 H new ATOM 0 HD2 ARG A 63 84.047 15.462 -7.384 1.00 0.00 H new ATOM 0 HD3 ARG A 63 84.540 14.710 -5.880 1.00 0.00 H new ATOM 0 HE ARG A 63 85.918 16.648 -5.360 1.00 0.00 H new ATOM 0 HH11 ARG A 63 83.619 17.479 -7.583 1.00 0.00 H new ATOM 0 HH12 ARG A 63 84.542 18.751 -8.391 1.00 0.00 H new ATOM 0 HH21 ARG A 63 87.560 17.878 -6.853 1.00 0.00 H new ATOM 0 HH22 ARG A 63 86.755 18.975 -7.980 1.00 0.00 H new ATOM 551 N PHE A 64 85.661 9.944 -6.846 1.00 0.00 N ATOM 552 CA PHE A 64 85.273 8.833 -5.952 1.00 0.00 C ATOM 553 C PHE A 64 85.867 9.103 -4.571 1.00 0.00 C ATOM 554 O PHE A 64 85.348 8.672 -3.557 1.00 0.00 O ATOM 555 CB PHE A 64 85.887 7.580 -6.575 1.00 0.00 C ATOM 556 CG PHE A 64 84.840 6.861 -7.391 1.00 0.00 C ATOM 557 CD1 PHE A 64 83.575 6.609 -6.846 1.00 0.00 C ATOM 558 CD2 PHE A 64 85.135 6.448 -8.695 1.00 0.00 C ATOM 559 CE1 PHE A 64 82.604 5.945 -7.606 1.00 0.00 C ATOM 560 CE2 PHE A 64 84.165 5.783 -9.456 1.00 0.00 C ATOM 561 CZ PHE A 64 82.900 5.533 -8.911 1.00 0.00 C ATOM 0 H PHE A 64 86.543 9.816 -7.343 1.00 0.00 H new ATOM 0 HA PHE A 64 84.194 8.722 -5.841 1.00 0.00 H new ATOM 0 HB2 PHE A 64 86.733 7.852 -7.207 1.00 0.00 H new ATOM 0 HB3 PHE A 64 86.270 6.923 -5.794 1.00 0.00 H new ATOM 0 HD1 PHE A 64 83.348 6.927 -5.839 1.00 0.00 H new ATOM 0 HD2 PHE A 64 86.111 6.642 -9.115 1.00 0.00 H new ATOM 0 HE1 PHE A 64 81.628 5.751 -7.186 1.00 0.00 H new ATOM 0 HE2 PHE A 64 84.393 5.463 -10.462 1.00 0.00 H new ATOM 0 HZ PHE A 64 82.151 5.022 -9.498 1.00 0.00 H new ATOM 571 N ASN A 65 86.981 9.792 -4.531 1.00 0.00 N ATOM 572 CA ASN A 65 87.642 10.056 -3.222 1.00 0.00 C ATOM 573 C ASN A 65 87.164 11.355 -2.579 1.00 0.00 C ATOM 574 O ASN A 65 87.013 11.422 -1.379 1.00 0.00 O ATOM 575 CB ASN A 65 89.135 10.128 -3.536 1.00 0.00 C ATOM 576 CG ASN A 65 89.630 8.749 -3.977 1.00 0.00 C ATOM 577 OD1 ASN A 65 88.893 7.783 -3.935 1.00 0.00 O ATOM 578 ND2 ASN A 65 90.857 8.615 -4.400 1.00 0.00 N ATOM 0 H ASN A 65 87.457 10.180 -5.346 1.00 0.00 H new ATOM 0 HA ASN A 65 87.402 9.273 -2.502 1.00 0.00 H new ATOM 0 HB2 ASN A 65 89.317 10.860 -4.322 1.00 0.00 H new ATOM 0 HB3 ASN A 65 89.687 10.460 -2.657 1.00 0.00 H new ATOM 0 HD21 ASN A 65 91.198 7.700 -4.695 1.00 0.00 H new ATOM 0 HD22 ASN A 65 91.476 9.425 -4.435 1.00 0.00 H new ATOM 585 N GLU A 66 86.919 12.391 -3.329 1.00 0.00 N ATOM 586 CA GLU A 66 86.449 13.636 -2.666 1.00 0.00 C ATOM 587 C GLU A 66 85.224 13.273 -1.850 1.00 0.00 C ATOM 588 O GLU A 66 85.230 13.337 -0.637 1.00 0.00 O ATOM 589 CB GLU A 66 86.097 14.608 -3.785 1.00 0.00 C ATOM 590 CG GLU A 66 87.380 15.084 -4.468 1.00 0.00 C ATOM 591 CD GLU A 66 87.872 16.366 -3.793 1.00 0.00 C ATOM 592 OE1 GLU A 66 87.394 16.662 -2.711 1.00 0.00 O ATOM 593 OE2 GLU A 66 88.715 17.030 -4.372 1.00 0.00 O ATOM 0 H GLU A 66 87.020 12.432 -4.343 1.00 0.00 H new ATOM 0 HA GLU A 66 87.191 14.086 -2.007 1.00 0.00 H new ATOM 0 HB2 GLU A 66 85.444 14.123 -4.511 1.00 0.00 H new ATOM 0 HB3 GLU A 66 85.549 15.460 -3.382 1.00 0.00 H new ATOM 0 HG2 GLU A 66 88.146 14.311 -4.406 1.00 0.00 H new ATOM 0 HG3 GLU A 66 87.195 15.266 -5.527 1.00 0.00 H new ATOM 600 N VAL A 67 84.185 12.834 -2.503 1.00 0.00 N ATOM 601 CA VAL A 67 82.987 12.405 -1.746 1.00 0.00 C ATOM 602 C VAL A 67 83.455 11.489 -0.622 1.00 0.00 C ATOM 603 O VAL A 67 83.413 11.843 0.536 1.00 0.00 O ATOM 604 CB VAL A 67 82.094 11.605 -2.714 1.00 0.00 C ATOM 605 CG1 VAL A 67 81.115 12.536 -3.412 1.00 0.00 C ATOM 606 CG2 VAL A 67 82.925 10.902 -3.774 1.00 0.00 C ATOM 0 H VAL A 67 84.117 12.756 -3.518 1.00 0.00 H new ATOM 0 HA VAL A 67 82.439 13.253 -1.336 1.00 0.00 H new ATOM 0 HB VAL A 67 81.557 10.861 -2.126 1.00 0.00 H new ATOM 0 HG11 VAL A 67 80.489 11.961 -4.094 1.00 0.00 H new ATOM 0 HG12 VAL A 67 80.487 13.027 -2.669 1.00 0.00 H new ATOM 0 HG13 VAL A 67 81.667 13.289 -3.975 1.00 0.00 H new ATOM 0 HG21 VAL A 67 82.267 10.346 -4.442 1.00 0.00 H new ATOM 0 HG22 VAL A 67 83.484 11.641 -4.348 1.00 0.00 H new ATOM 0 HG23 VAL A 67 83.621 10.214 -3.294 1.00 0.00 H new ATOM 616 N ALA A 68 83.917 10.313 -0.971 1.00 0.00 N ATOM 617 CA ALA A 68 84.404 9.355 0.059 1.00 0.00 C ATOM 618 C ALA A 68 85.155 10.104 1.157 1.00 0.00 C ATOM 619 O ALA A 68 84.947 9.870 2.330 1.00 0.00 O ATOM 620 CB ALA A 68 85.342 8.408 -0.694 1.00 0.00 C ATOM 0 H ALA A 68 83.976 9.977 -1.932 1.00 0.00 H new ATOM 0 HA ALA A 68 83.591 8.816 0.545 1.00 0.00 H new ATOM 0 HB1 ALA A 68 85.745 7.668 -0.002 1.00 0.00 H new ATOM 0 HB2 ALA A 68 84.789 7.902 -1.485 1.00 0.00 H new ATOM 0 HB3 ALA A 68 86.161 8.979 -1.132 1.00 0.00 H new ATOM 626 N ALA A 69 86.016 11.013 0.788 1.00 0.00 N ATOM 627 CA ALA A 69 86.763 11.778 1.818 1.00 0.00 C ATOM 628 C ALA A 69 85.805 12.179 2.935 1.00 0.00 C ATOM 629 O ALA A 69 85.957 11.774 4.071 1.00 0.00 O ATOM 630 CB ALA A 69 87.296 13.016 1.094 1.00 0.00 C ATOM 0 H ALA A 69 86.232 11.256 -0.179 1.00 0.00 H new ATOM 0 HA ALA A 69 87.572 11.202 2.267 1.00 0.00 H new ATOM 0 HB1 ALA A 69 87.861 13.632 1.794 1.00 0.00 H new ATOM 0 HB2 ALA A 69 87.947 12.707 0.276 1.00 0.00 H new ATOM 0 HB3 ALA A 69 86.461 13.592 0.696 1.00 0.00 H new ATOM 636 N GLN A 70 84.802 12.951 2.621 1.00 0.00 N ATOM 637 CA GLN A 70 83.827 13.344 3.652 1.00 0.00 C ATOM 638 C GLN A 70 82.686 12.338 3.681 1.00 0.00 C ATOM 639 O GLN A 70 82.331 11.777 4.698 1.00 0.00 O ATOM 640 CB GLN A 70 83.300 14.699 3.181 1.00 0.00 C ATOM 641 CG GLN A 70 81.925 14.928 3.789 1.00 0.00 C ATOM 642 CD GLN A 70 82.030 14.856 5.322 1.00 0.00 C ATOM 643 OE1 GLN A 70 81.721 13.746 5.951 1.00 0.00 O flip ATOM 644 NE2 GLN A 70 82.401 15.823 5.957 1.00 0.00 N flip ATOM 0 H GLN A 70 84.623 13.323 1.688 1.00 0.00 H new ATOM 0 HA GLN A 70 84.263 13.386 4.650 1.00 0.00 H new ATOM 0 HB2 GLN A 70 83.982 15.494 3.481 1.00 0.00 H new ATOM 0 HB3 GLN A 70 83.240 14.723 2.093 1.00 0.00 H new ATOM 0 HG2 GLN A 70 81.537 15.900 3.485 1.00 0.00 H new ATOM 0 HG3 GLN A 70 81.224 14.177 3.425 1.00 0.00 H new ATOM 0 HE21 GLN A 70 82.643 16.688 5.474 1.00 0.00 H new ATOM 0 HE22 GLN A 70 82.471 15.770 6.973 1.00 0.00 H new ATOM 653 N TYR A 71 82.086 12.168 2.546 1.00 0.00 N ATOM 654 CA TYR A 71 80.917 11.271 2.416 1.00 0.00 C ATOM 655 C TYR A 71 81.163 9.968 3.169 1.00 0.00 C ATOM 656 O TYR A 71 80.251 9.329 3.627 1.00 0.00 O ATOM 657 CB TYR A 71 80.742 11.042 0.920 1.00 0.00 C ATOM 658 CG TYR A 71 80.244 12.307 0.226 1.00 0.00 C ATOM 659 CD1 TYR A 71 80.506 13.610 0.731 1.00 0.00 C ATOM 660 CD2 TYR A 71 79.501 12.165 -0.950 1.00 0.00 C ATOM 661 CE1 TYR A 71 80.021 14.730 0.046 1.00 0.00 C ATOM 662 CE2 TYR A 71 79.020 13.292 -1.625 1.00 0.00 C ATOM 663 CZ TYR A 71 79.279 14.571 -1.128 1.00 0.00 C ATOM 664 OH TYR A 71 78.808 15.678 -1.800 1.00 0.00 O ATOM 0 H TYR A 71 82.365 12.626 1.679 1.00 0.00 H new ATOM 0 HA TYR A 71 80.014 11.701 2.848 1.00 0.00 H new ATOM 0 HB2 TYR A 71 81.691 10.733 0.483 1.00 0.00 H new ATOM 0 HB3 TYR A 71 80.035 10.229 0.753 1.00 0.00 H new ATOM 0 HD1 TYR A 71 81.077 13.735 1.639 1.00 0.00 H new ATOM 0 HD2 TYR A 71 79.297 11.179 -1.340 1.00 0.00 H new ATOM 0 HE1 TYR A 71 80.221 15.721 0.426 1.00 0.00 H new ATOM 0 HE2 TYR A 71 78.447 13.173 -2.533 1.00 0.00 H new ATOM 0 HH TYR A 71 79.179 15.692 -2.707 1.00 0.00 H new ATOM 674 N SER A 72 82.382 9.552 3.290 1.00 0.00 N ATOM 675 CA SER A 72 82.635 8.282 4.027 1.00 0.00 C ATOM 676 C SER A 72 82.521 8.500 5.540 1.00 0.00 C ATOM 677 O SER A 72 82.394 9.613 6.006 1.00 0.00 O ATOM 678 CB SER A 72 84.045 7.860 3.648 1.00 0.00 C ATOM 679 OG SER A 72 84.323 6.597 4.236 1.00 0.00 O ATOM 0 H SER A 72 83.208 10.023 2.919 1.00 0.00 H new ATOM 0 HA SER A 72 81.904 7.516 3.767 1.00 0.00 H new ATOM 0 HB2 SER A 72 84.142 7.800 2.564 1.00 0.00 H new ATOM 0 HB3 SER A 72 84.765 8.602 3.992 1.00 0.00 H new ATOM 0 HG SER A 72 83.835 5.897 3.754 1.00 0.00 H new ATOM 685 N GLU A 73 82.585 7.438 6.304 1.00 0.00 N ATOM 686 CA GLU A 73 82.511 7.556 7.783 1.00 0.00 C ATOM 687 C GLU A 73 83.793 8.240 8.232 1.00 0.00 C ATOM 688 O GLU A 73 84.669 7.680 8.857 1.00 0.00 O ATOM 689 CB GLU A 73 82.364 6.104 8.279 1.00 0.00 C ATOM 690 CG GLU A 73 83.130 5.857 9.579 1.00 0.00 C ATOM 691 CD GLU A 73 82.886 7.003 10.565 1.00 0.00 C ATOM 692 OE1 GLU A 73 82.031 7.826 10.289 1.00 0.00 O ATOM 693 OE2 GLU A 73 83.558 7.035 11.582 1.00 0.00 O ATOM 0 H GLU A 73 82.687 6.485 5.956 1.00 0.00 H new ATOM 0 HA GLU A 73 81.685 8.149 8.175 1.00 0.00 H new ATOM 0 HB2 GLU A 73 81.309 5.880 8.433 1.00 0.00 H new ATOM 0 HB3 GLU A 73 82.726 5.421 7.511 1.00 0.00 H new ATOM 0 HG2 GLU A 73 82.813 4.913 10.022 1.00 0.00 H new ATOM 0 HG3 GLU A 73 84.196 5.769 9.370 1.00 0.00 H new ATOM 700 N ASP A 74 83.906 9.463 7.849 1.00 0.00 N ATOM 701 CA ASP A 74 85.129 10.247 8.176 1.00 0.00 C ATOM 702 C ASP A 74 86.346 9.559 7.552 1.00 0.00 C ATOM 703 O ASP A 74 87.474 9.781 7.948 1.00 0.00 O ATOM 704 CB ASP A 74 85.218 10.238 9.703 1.00 0.00 C ATOM 705 CG ASP A 74 86.369 11.138 10.153 1.00 0.00 C ATOM 706 OD1 ASP A 74 86.542 12.188 9.557 1.00 0.00 O ATOM 707 OD2 ASP A 74 87.060 10.762 11.087 1.00 0.00 O ATOM 0 H ASP A 74 83.200 9.970 7.316 1.00 0.00 H new ATOM 0 HA ASP A 74 85.096 11.266 7.791 1.00 0.00 H new ATOM 0 HB2 ASP A 74 84.280 10.587 10.134 1.00 0.00 H new ATOM 0 HB3 ASP A 74 85.376 9.221 10.063 1.00 0.00 H new ATOM 712 N LYS A 75 86.117 8.718 6.575 1.00 0.00 N ATOM 713 CA LYS A 75 87.245 7.998 5.913 1.00 0.00 C ATOM 714 C LYS A 75 87.130 8.128 4.385 1.00 0.00 C ATOM 715 O LYS A 75 87.518 9.126 3.810 1.00 0.00 O ATOM 716 CB LYS A 75 87.083 6.539 6.354 1.00 0.00 C ATOM 717 CG LYS A 75 88.064 5.653 5.584 1.00 0.00 C ATOM 718 CD LYS A 75 89.319 5.433 6.431 1.00 0.00 C ATOM 719 CE LYS A 75 89.864 4.027 6.176 1.00 0.00 C ATOM 720 NZ LYS A 75 91.263 4.062 6.689 1.00 0.00 N ATOM 0 H LYS A 75 85.192 8.499 6.206 1.00 0.00 H new ATOM 0 HA LYS A 75 88.221 8.399 6.187 1.00 0.00 H new ATOM 0 HB2 LYS A 75 87.263 6.451 7.425 1.00 0.00 H new ATOM 0 HB3 LYS A 75 86.061 6.207 6.175 1.00 0.00 H new ATOM 0 HG2 LYS A 75 87.599 4.696 5.347 1.00 0.00 H new ATOM 0 HG3 LYS A 75 88.329 6.122 4.636 1.00 0.00 H new ATOM 0 HD2 LYS A 75 90.074 6.178 6.182 1.00 0.00 H new ATOM 0 HD3 LYS A 75 89.084 5.558 7.488 1.00 0.00 H new ATOM 0 HE2 LYS A 75 89.271 3.273 6.694 1.00 0.00 H new ATOM 0 HE3 LYS A 75 89.838 3.779 5.115 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 91.707 3.132 6.550 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 91.804 4.784 6.173 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 91.255 4.294 7.703 1.00 0.00 H new ATOM 734 N ALA A 76 86.594 7.133 3.726 1.00 0.00 N ATOM 735 CA ALA A 76 86.447 7.206 2.243 1.00 0.00 C ATOM 736 C ALA A 76 85.861 5.894 1.707 1.00 0.00 C ATOM 737 O ALA A 76 86.363 4.828 1.986 1.00 0.00 O ATOM 738 CB ALA A 76 87.866 7.419 1.714 1.00 0.00 C ATOM 0 H ALA A 76 86.252 6.272 4.153 1.00 0.00 H new ATOM 0 HA ALA A 76 85.774 8.005 1.931 1.00 0.00 H new ATOM 0 HB1 ALA A 76 87.843 7.483 0.626 1.00 0.00 H new ATOM 0 HB2 ALA A 76 88.272 8.344 2.124 1.00 0.00 H new ATOM 0 HB3 ALA A 76 88.496 6.582 2.015 1.00 0.00 H new ATOM 744 N ARG A 77 84.804 5.946 0.942 1.00 0.00 N ATOM 745 CA ARG A 77 84.244 4.669 0.424 1.00 0.00 C ATOM 746 C ARG A 77 85.166 4.110 -0.663 1.00 0.00 C ATOM 747 O ARG A 77 85.326 2.916 -0.796 1.00 0.00 O ATOM 748 CB ARG A 77 82.840 4.988 -0.117 1.00 0.00 C ATOM 749 CG ARG A 77 82.913 5.909 -1.341 1.00 0.00 C ATOM 750 CD ARG A 77 82.106 5.292 -2.491 1.00 0.00 C ATOM 751 NE ARG A 77 80.777 5.959 -2.434 1.00 0.00 N ATOM 752 CZ ARG A 77 79.707 5.277 -2.115 1.00 0.00 C ATOM 753 NH1 ARG A 77 79.807 4.179 -1.416 1.00 0.00 N ATOM 754 NH2 ARG A 77 78.531 5.699 -2.492 1.00 0.00 N ATOM 0 H ARG A 77 84.315 6.796 0.660 1.00 0.00 H new ATOM 0 HA ARG A 77 84.172 3.907 1.200 1.00 0.00 H new ATOM 0 HB2 ARG A 77 82.332 4.062 -0.385 1.00 0.00 H new ATOM 0 HB3 ARG A 77 82.246 5.463 0.664 1.00 0.00 H new ATOM 0 HG2 ARG A 77 82.518 6.894 -1.093 1.00 0.00 H new ATOM 0 HG3 ARG A 77 83.951 6.048 -1.644 1.00 0.00 H new ATOM 0 HD2 ARG A 77 82.593 5.464 -3.451 1.00 0.00 H new ATOM 0 HD3 ARG A 77 82.011 4.213 -2.371 1.00 0.00 H new ATOM 0 HE ARG A 77 80.700 6.954 -2.645 1.00 0.00 H new ATOM 0 HH11 ARG A 77 80.724 3.848 -1.115 1.00 0.00 H new ATOM 0 HH12 ARG A 77 78.969 3.652 -1.171 1.00 0.00 H new ATOM 0 HH21 ARG A 77 78.447 6.559 -3.034 1.00 0.00 H new ATOM 0 HH22 ARG A 77 77.695 5.169 -2.244 1.00 0.00 H new ATOM 768 N GLN A 78 85.805 4.960 -1.419 1.00 0.00 N ATOM 769 CA GLN A 78 86.739 4.459 -2.466 1.00 0.00 C ATOM 770 C GLN A 78 88.170 4.581 -1.947 1.00 0.00 C ATOM 771 O GLN A 78 88.909 3.617 -1.897 1.00 0.00 O ATOM 772 CB GLN A 78 86.523 5.362 -3.680 1.00 0.00 C ATOM 773 CG GLN A 78 85.065 5.277 -4.143 1.00 0.00 C ATOM 774 CD GLN A 78 84.641 3.810 -4.279 1.00 0.00 C ATOM 775 OE1 GLN A 78 83.993 3.232 -3.302 1.00 0.00 O flip ATOM 776 NE2 GLN A 78 84.903 3.183 -5.285 1.00 0.00 N flip ATOM 0 H GLN A 78 85.721 5.975 -1.358 1.00 0.00 H new ATOM 0 HA GLN A 78 86.564 3.414 -2.724 1.00 0.00 H new ATOM 0 HB2 GLN A 78 86.773 6.392 -3.427 1.00 0.00 H new ATOM 0 HB3 GLN A 78 87.188 5.062 -4.490 1.00 0.00 H new ATOM 0 HG2 GLN A 78 84.418 5.786 -3.429 1.00 0.00 H new ATOM 0 HG3 GLN A 78 84.948 5.788 -5.099 1.00 0.00 H new ATOM 0 HE21 GLN A 78 85.409 3.632 -6.049 1.00 0.00 H new ATOM 0 HE22 GLN A 78 84.618 2.207 -5.367 1.00 0.00 H new ATOM 785 N GLY A 79 88.558 5.757 -1.531 1.00 0.00 N ATOM 786 CA GLY A 79 89.930 5.934 -0.984 1.00 0.00 C ATOM 787 C GLY A 79 89.999 5.195 0.351 1.00 0.00 C ATOM 788 O GLY A 79 91.052 4.789 0.801 1.00 0.00 O ATOM 0 H GLY A 79 87.984 6.600 -1.547 1.00 0.00 H new ATOM 0 HA2 GLY A 79 90.672 5.539 -1.678 1.00 0.00 H new ATOM 0 HA3 GLY A 79 90.153 6.992 -0.847 1.00 0.00 H new ATOM 792 N GLY A 80 88.868 5.007 0.975 1.00 0.00 N ATOM 793 CA GLY A 80 88.829 4.280 2.273 1.00 0.00 C ATOM 794 C GLY A 80 88.302 2.869 2.028 1.00 0.00 C ATOM 795 O GLY A 80 88.076 2.116 2.955 1.00 0.00 O ATOM 0 H GLY A 80 87.962 5.330 0.636 1.00 0.00 H new ATOM 0 HA2 GLY A 80 89.825 4.240 2.714 1.00 0.00 H new ATOM 0 HA3 GLY A 80 88.188 4.805 2.981 1.00 0.00 H new ATOM 799 N ASP A 81 88.098 2.510 0.784 1.00 0.00 N ATOM 800 CA ASP A 81 87.582 1.149 0.470 1.00 0.00 C ATOM 801 C ASP A 81 88.204 0.123 1.415 1.00 0.00 C ATOM 802 O ASP A 81 89.322 -0.310 1.221 1.00 0.00 O ATOM 803 CB ASP A 81 88.024 0.889 -0.972 1.00 0.00 C ATOM 804 CG ASP A 81 87.617 -0.525 -1.397 1.00 0.00 C ATOM 805 OD1 ASP A 81 87.490 -1.373 -0.530 1.00 0.00 O ATOM 806 OD2 ASP A 81 87.440 -0.735 -2.585 1.00 0.00 O ATOM 0 H ASP A 81 88.268 3.105 -0.027 1.00 0.00 H new ATOM 0 HA ASP A 81 86.501 1.074 0.587 1.00 0.00 H new ATOM 0 HB2 ASP A 81 87.570 1.623 -1.638 1.00 0.00 H new ATOM 0 HB3 ASP A 81 89.104 1.006 -1.057 1.00 0.00 H new ATOM 811 N LEU A 82 87.488 -0.265 2.440 1.00 0.00 N ATOM 812 CA LEU A 82 88.039 -1.262 3.399 1.00 0.00 C ATOM 813 C LEU A 82 88.813 -2.348 2.643 1.00 0.00 C ATOM 814 O LEU A 82 89.739 -2.939 3.161 1.00 0.00 O ATOM 815 CB LEU A 82 86.814 -1.843 4.103 1.00 0.00 C ATOM 816 CG LEU A 82 86.497 -0.997 5.339 1.00 0.00 C ATOM 817 CD1 LEU A 82 85.912 0.352 4.910 1.00 0.00 C ATOM 818 CD2 LEU A 82 85.485 -1.735 6.218 1.00 0.00 C ATOM 0 H LEU A 82 86.547 0.067 2.652 1.00 0.00 H new ATOM 0 HA LEU A 82 88.739 -0.822 4.109 1.00 0.00 H new ATOM 0 HB2 LEU A 82 85.960 -1.853 3.425 1.00 0.00 H new ATOM 0 HB3 LEU A 82 87.002 -2.877 4.393 1.00 0.00 H new ATOM 0 HG LEU A 82 87.415 -0.828 5.902 1.00 0.00 H new ATOM 0 HD11 LEU A 82 85.689 0.949 5.794 1.00 0.00 H new ATOM 0 HD12 LEU A 82 86.634 0.881 4.288 1.00 0.00 H new ATOM 0 HD13 LEU A 82 84.996 0.187 4.342 1.00 0.00 H new ATOM 0 HD21 LEU A 82 85.260 -1.132 7.098 1.00 0.00 H new ATOM 0 HD22 LEU A 82 84.569 -1.908 5.652 1.00 0.00 H new ATOM 0 HD23 LEU A 82 85.904 -2.691 6.531 1.00 0.00 H new ATOM 830 N GLY A 83 88.454 -2.596 1.411 1.00 0.00 N ATOM 831 CA GLY A 83 89.183 -3.623 0.613 1.00 0.00 C ATOM 832 C GLY A 83 88.547 -4.996 0.822 1.00 0.00 C ATOM 833 O GLY A 83 87.585 -5.144 1.549 1.00 0.00 O ATOM 0 H GLY A 83 87.688 -2.132 0.924 1.00 0.00 H new ATOM 0 HA2 GLY A 83 89.158 -3.359 -0.444 1.00 0.00 H new ATOM 0 HA3 GLY A 83 90.231 -3.650 0.910 1.00 0.00 H new ATOM 837 N TRP A 84 89.084 -6.001 0.184 1.00 0.00 N ATOM 838 CA TRP A 84 88.524 -7.374 0.335 1.00 0.00 C ATOM 839 C TRP A 84 88.148 -7.628 1.795 1.00 0.00 C ATOM 840 O TRP A 84 88.846 -7.228 2.704 1.00 0.00 O ATOM 841 CB TRP A 84 89.658 -8.298 -0.111 1.00 0.00 C ATOM 842 CG TRP A 84 89.615 -8.438 -1.592 1.00 0.00 C ATOM 843 CD1 TRP A 84 90.492 -7.870 -2.438 1.00 0.00 C ATOM 844 CD2 TRP A 84 88.665 -9.173 -2.413 1.00 0.00 C ATOM 845 NE1 TRP A 84 90.140 -8.197 -3.736 1.00 0.00 N ATOM 846 CE2 TRP A 84 89.019 -9.003 -3.771 1.00 0.00 C ATOM 847 CE3 TRP A 84 87.541 -9.962 -2.113 1.00 0.00 C ATOM 848 CZ2 TRP A 84 88.282 -9.593 -4.798 1.00 0.00 C ATOM 849 CZ3 TRP A 84 86.796 -10.557 -3.144 1.00 0.00 C ATOM 850 CH2 TRP A 84 87.166 -10.372 -4.484 1.00 0.00 C ATOM 0 H TRP A 84 89.890 -5.929 -0.438 1.00 0.00 H new ATOM 0 HA TRP A 84 87.618 -7.531 -0.250 1.00 0.00 H new ATOM 0 HB2 TRP A 84 90.620 -7.891 0.201 1.00 0.00 H new ATOM 0 HB3 TRP A 84 89.556 -9.274 0.363 1.00 0.00 H new ATOM 0 HD1 TRP A 84 91.334 -7.258 -2.151 1.00 0.00 H new ATOM 0 HE1 TRP A 84 90.646 -7.882 -4.564 1.00 0.00 H new ATOM 0 HE3 TRP A 84 87.249 -10.111 -1.084 1.00 0.00 H new ATOM 0 HZ2 TRP A 84 88.572 -9.449 -5.828 1.00 0.00 H new ATOM 0 HZ3 TRP A 84 85.933 -11.160 -2.904 1.00 0.00 H new ATOM 0 HH2 TRP A 84 86.588 -10.831 -5.273 1.00 0.00 H new ATOM 861 N MET A 85 87.044 -8.283 2.030 1.00 0.00 N ATOM 862 CA MET A 85 86.628 -8.546 3.436 1.00 0.00 C ATOM 863 C MET A 85 85.939 -9.905 3.536 1.00 0.00 C ATOM 864 O MET A 85 85.066 -10.227 2.754 1.00 0.00 O ATOM 865 CB MET A 85 85.649 -7.422 3.775 1.00 0.00 C ATOM 866 CG MET A 85 86.424 -6.213 4.300 1.00 0.00 C ATOM 867 SD MET A 85 86.415 -6.231 6.110 1.00 0.00 S ATOM 868 CE MET A 85 88.094 -5.601 6.353 1.00 0.00 C ATOM 0 H MET A 85 86.415 -8.646 1.313 1.00 0.00 H new ATOM 0 HA MET A 85 87.476 -8.569 4.121 1.00 0.00 H new ATOM 0 HB2 MET A 85 85.077 -7.144 2.890 1.00 0.00 H new ATOM 0 HB3 MET A 85 84.933 -7.762 4.524 1.00 0.00 H new ATOM 0 HG2 MET A 85 87.449 -6.236 3.930 1.00 0.00 H new ATOM 0 HG3 MET A 85 85.973 -5.291 3.932 1.00 0.00 H new ATOM 0 HE1 MET A 85 88.305 -5.530 7.420 1.00 0.00 H new ATOM 0 HE2 MET A 85 88.808 -6.279 5.886 1.00 0.00 H new ATOM 0 HE3 MET A 85 88.181 -4.614 5.900 1.00 0.00 H new ATOM 878 N THR A 86 86.324 -10.705 4.490 1.00 0.00 N ATOM 879 CA THR A 86 85.690 -12.041 4.634 1.00 0.00 C ATOM 880 C THR A 86 84.998 -12.160 5.992 1.00 0.00 C ATOM 881 O THR A 86 85.403 -11.555 6.965 1.00 0.00 O ATOM 882 CB THR A 86 86.839 -13.041 4.524 1.00 0.00 C ATOM 883 OG1 THR A 86 88.006 -12.491 5.119 1.00 0.00 O ATOM 884 CG2 THR A 86 87.108 -13.348 3.052 1.00 0.00 C ATOM 0 H THR A 86 87.049 -10.491 5.174 1.00 0.00 H new ATOM 0 HA THR A 86 84.926 -12.216 3.877 1.00 0.00 H new ATOM 0 HB THR A 86 86.571 -13.962 5.042 1.00 0.00 H new ATOM 0 HG1 THR A 86 88.743 -13.134 5.050 1.00 0.00 H new ATOM 0 HG21 THR A 86 87.928 -14.062 2.973 1.00 0.00 H new ATOM 0 HG22 THR A 86 86.212 -13.773 2.599 1.00 0.00 H new ATOM 0 HG23 THR A 86 87.376 -12.428 2.532 1.00 0.00 H new ATOM 892 N ARG A 87 83.954 -12.935 6.059 1.00 0.00 N ATOM 893 CA ARG A 87 83.224 -13.098 7.349 1.00 0.00 C ATOM 894 C ARG A 87 84.196 -13.508 8.459 1.00 0.00 C ATOM 895 O ARG A 87 84.058 -13.106 9.597 1.00 0.00 O ATOM 896 CB ARG A 87 82.206 -14.210 7.092 1.00 0.00 C ATOM 897 CG ARG A 87 80.871 -13.837 7.738 1.00 0.00 C ATOM 898 CD ARG A 87 80.554 -14.829 8.859 1.00 0.00 C ATOM 899 NE ARG A 87 80.687 -14.040 10.116 1.00 0.00 N ATOM 900 CZ ARG A 87 80.498 -14.617 11.272 1.00 0.00 C ATOM 901 NH1 ARG A 87 79.297 -14.685 11.779 1.00 0.00 N ATOM 902 NH2 ARG A 87 81.510 -15.125 11.920 1.00 0.00 N ATOM 0 H ARG A 87 83.572 -13.465 5.275 1.00 0.00 H new ATOM 0 HA ARG A 87 82.745 -12.173 7.671 1.00 0.00 H new ATOM 0 HB2 ARG A 87 82.075 -14.357 6.020 1.00 0.00 H new ATOM 0 HB3 ARG A 87 82.570 -15.153 7.501 1.00 0.00 H new ATOM 0 HG2 ARG A 87 80.918 -12.824 8.137 1.00 0.00 H new ATOM 0 HG3 ARG A 87 80.077 -13.849 6.991 1.00 0.00 H new ATOM 0 HD2 ARG A 87 79.549 -15.237 8.753 1.00 0.00 H new ATOM 0 HD3 ARG A 87 81.244 -15.673 8.847 1.00 0.00 H new ATOM 0 HE ARG A 87 80.926 -13.049 10.073 1.00 0.00 H new ATOM 0 HH11 ARG A 87 78.506 -14.287 11.272 1.00 0.00 H new ATOM 0 HH12 ARG A 87 79.149 -15.136 12.682 1.00 0.00 H new ATOM 0 HH21 ARG A 87 82.448 -15.071 11.524 1.00 0.00 H new ATOM 0 HH22 ARG A 87 81.363 -15.576 12.823 1.00 0.00 H new ATOM 916 N GLY A 88 85.177 -14.305 8.137 1.00 0.00 N ATOM 917 CA GLY A 88 86.155 -14.738 9.173 1.00 0.00 C ATOM 918 C GLY A 88 86.618 -13.520 9.975 1.00 0.00 C ATOM 919 O GLY A 88 86.977 -13.625 11.131 1.00 0.00 O ATOM 0 H GLY A 88 85.343 -14.675 7.201 1.00 0.00 H new ATOM 0 HA2 GLY A 88 85.698 -15.472 9.837 1.00 0.00 H new ATOM 0 HA3 GLY A 88 87.010 -15.223 8.702 1.00 0.00 H new ATOM 923 N SER A 89 86.612 -12.364 9.370 1.00 0.00 N ATOM 924 CA SER A 89 87.051 -11.138 10.096 1.00 0.00 C ATOM 925 C SER A 89 86.359 -9.903 9.511 1.00 0.00 C ATOM 926 O SER A 89 86.776 -9.363 8.507 1.00 0.00 O ATOM 927 CB SER A 89 88.562 -11.065 9.870 1.00 0.00 C ATOM 928 OG SER A 89 89.233 -11.196 11.114 1.00 0.00 O ATOM 0 H SER A 89 86.322 -12.215 8.404 1.00 0.00 H new ATOM 0 HA SER A 89 86.799 -11.171 11.156 1.00 0.00 H new ATOM 0 HB2 SER A 89 88.877 -11.856 9.189 1.00 0.00 H new ATOM 0 HB3 SER A 89 88.825 -10.117 9.401 1.00 0.00 H new ATOM 0 HG SER A 89 90.201 -11.151 10.970 1.00 0.00 H new ATOM 934 N MET A 90 85.303 -9.453 10.134 1.00 0.00 N ATOM 935 CA MET A 90 84.586 -8.253 9.613 1.00 0.00 C ATOM 936 C MET A 90 83.890 -7.515 10.760 1.00 0.00 C ATOM 937 O MET A 90 84.397 -6.542 11.283 1.00 0.00 O ATOM 938 CB MET A 90 83.555 -8.805 8.627 1.00 0.00 C ATOM 939 CG MET A 90 84.120 -8.737 7.207 1.00 0.00 C ATOM 940 SD MET A 90 82.974 -7.824 6.145 1.00 0.00 S ATOM 941 CE MET A 90 82.692 -9.137 4.932 1.00 0.00 C ATOM 0 H MET A 90 84.906 -9.863 10.979 1.00 0.00 H new ATOM 0 HA MET A 90 85.262 -7.540 9.140 1.00 0.00 H new ATOM 0 HB2 MET A 90 83.307 -9.835 8.882 1.00 0.00 H new ATOM 0 HB3 MET A 90 82.631 -8.230 8.690 1.00 0.00 H new ATOM 0 HG2 MET A 90 85.094 -8.248 7.215 1.00 0.00 H new ATOM 0 HG3 MET A 90 84.272 -9.743 6.816 1.00 0.00 H new ATOM 0 HE1 MET A 90 82.586 -8.699 3.940 1.00 0.00 H new ATOM 0 HE2 MET A 90 83.538 -9.825 4.937 1.00 0.00 H new ATOM 0 HE3 MET A 90 81.782 -9.679 5.188 1.00 0.00 H new ATOM 951 N VAL A 91 82.732 -7.969 11.155 1.00 0.00 N ATOM 952 CA VAL A 91 82.006 -7.293 12.269 1.00 0.00 C ATOM 953 C VAL A 91 80.637 -7.954 12.488 1.00 0.00 C ATOM 954 O VAL A 91 80.479 -8.792 13.355 1.00 0.00 O ATOM 955 CB VAL A 91 81.861 -5.822 11.834 1.00 0.00 C ATOM 956 CG1 VAL A 91 81.635 -5.735 10.320 1.00 0.00 C ATOM 957 CG2 VAL A 91 80.676 -5.179 12.561 1.00 0.00 C ATOM 0 H VAL A 91 82.257 -8.778 10.755 1.00 0.00 H new ATOM 0 HA VAL A 91 82.539 -7.369 13.217 1.00 0.00 H new ATOM 0 HB VAL A 91 82.778 -5.292 12.090 1.00 0.00 H new ATOM 0 HG11 VAL A 91 81.534 -4.690 10.027 1.00 0.00 H new ATOM 0 HG12 VAL A 91 82.484 -6.178 9.799 1.00 0.00 H new ATOM 0 HG13 VAL A 91 80.726 -6.275 10.056 1.00 0.00 H new ATOM 0 HG21 VAL A 91 80.579 -4.139 12.249 1.00 0.00 H new ATOM 0 HG22 VAL A 91 79.762 -5.719 12.315 1.00 0.00 H new ATOM 0 HG23 VAL A 91 80.843 -5.221 13.637 1.00 0.00 H new ATOM 967 N GLY A 92 79.649 -7.588 11.719 1.00 0.00 N ATOM 968 CA GLY A 92 78.302 -8.202 11.894 1.00 0.00 C ATOM 969 C GLY A 92 77.379 -7.732 10.766 1.00 0.00 C ATOM 970 O GLY A 92 77.246 -8.399 9.759 1.00 0.00 O ATOM 0 H GLY A 92 79.716 -6.891 10.977 1.00 0.00 H new ATOM 0 HA2 GLY A 92 78.382 -9.289 11.885 1.00 0.00 H new ATOM 0 HA3 GLY A 92 77.885 -7.921 12.861 1.00 0.00 H new ATOM 974 N PRO A 93 76.768 -6.589 10.966 1.00 0.00 N ATOM 975 CA PRO A 93 75.851 -6.026 9.947 1.00 0.00 C ATOM 976 C PRO A 93 76.601 -5.777 8.636 1.00 0.00 C ATOM 977 O PRO A 93 76.206 -6.244 7.587 1.00 0.00 O ATOM 978 CB PRO A 93 75.403 -4.709 10.587 1.00 0.00 C ATOM 979 CG PRO A 93 76.086 -4.569 11.962 1.00 0.00 C ATOM 980 CD PRO A 93 76.959 -5.806 12.210 1.00 0.00 C ATOM 0 HA PRO A 93 75.018 -6.682 9.693 1.00 0.00 H new ATOM 0 HB2 PRO A 93 75.668 -3.868 9.946 1.00 0.00 H new ATOM 0 HB3 PRO A 93 74.319 -4.694 10.700 1.00 0.00 H new ATOM 0 HG2 PRO A 93 76.695 -3.666 11.990 1.00 0.00 H new ATOM 0 HG3 PRO A 93 75.336 -4.473 12.747 1.00 0.00 H new ATOM 0 HD2 PRO A 93 78.005 -5.540 12.365 1.00 0.00 H new ATOM 0 HD3 PRO A 93 76.637 -6.360 13.092 1.00 0.00 H new ATOM 988 N PHE A 94 77.681 -5.046 8.688 1.00 0.00 N ATOM 989 CA PHE A 94 78.452 -4.774 7.442 1.00 0.00 C ATOM 990 C PHE A 94 78.600 -6.063 6.630 1.00 0.00 C ATOM 991 O PHE A 94 78.367 -6.087 5.437 1.00 0.00 O ATOM 992 CB PHE A 94 79.818 -4.279 7.919 1.00 0.00 C ATOM 993 CG PHE A 94 80.368 -3.286 6.922 1.00 0.00 C ATOM 994 CD1 PHE A 94 80.082 -1.923 7.061 1.00 0.00 C ATOM 995 CD2 PHE A 94 81.164 -3.729 5.859 1.00 0.00 C ATOM 996 CE1 PHE A 94 80.592 -1.002 6.138 1.00 0.00 C ATOM 997 CE2 PHE A 94 81.673 -2.809 4.935 1.00 0.00 C ATOM 998 CZ PHE A 94 81.388 -1.446 5.075 1.00 0.00 C ATOM 0 H PHE A 94 78.062 -4.627 9.536 1.00 0.00 H new ATOM 0 HA PHE A 94 77.960 -4.044 6.799 1.00 0.00 H new ATOM 0 HB2 PHE A 94 79.726 -3.813 8.900 1.00 0.00 H new ATOM 0 HB3 PHE A 94 80.504 -5.119 8.028 1.00 0.00 H new ATOM 0 HD1 PHE A 94 79.467 -1.581 7.881 1.00 0.00 H new ATOM 0 HD2 PHE A 94 81.385 -4.781 5.752 1.00 0.00 H new ATOM 0 HE1 PHE A 94 80.372 0.050 6.246 1.00 0.00 H new ATOM 0 HE2 PHE A 94 82.286 -3.151 4.114 1.00 0.00 H new ATOM 0 HZ PHE A 94 81.782 -0.736 4.363 1.00 0.00 H new ATOM 1008 N GLN A 95 78.981 -7.136 7.268 1.00 0.00 N ATOM 1009 CA GLN A 95 79.138 -8.424 6.534 1.00 0.00 C ATOM 1010 C GLN A 95 77.767 -8.953 6.099 1.00 0.00 C ATOM 1011 O GLN A 95 77.483 -9.083 4.925 1.00 0.00 O ATOM 1012 CB GLN A 95 79.787 -9.374 7.541 1.00 0.00 C ATOM 1013 CG GLN A 95 79.892 -10.772 6.929 1.00 0.00 C ATOM 1014 CD GLN A 95 78.794 -11.667 7.508 1.00 0.00 C ATOM 1015 OE1 GLN A 95 78.659 -11.781 8.710 1.00 0.00 O ATOM 1016 NE2 GLN A 95 77.999 -12.310 6.698 1.00 0.00 N ATOM 0 H GLN A 95 79.190 -7.177 8.265 1.00 0.00 H new ATOM 0 HA GLN A 95 79.738 -8.317 5.630 1.00 0.00 H new ATOM 0 HB2 GLN A 95 80.777 -9.010 7.815 1.00 0.00 H new ATOM 0 HB3 GLN A 95 79.196 -9.410 8.456 1.00 0.00 H new ATOM 0 HG2 GLN A 95 79.795 -10.714 5.845 1.00 0.00 H new ATOM 0 HG3 GLN A 95 80.873 -11.200 7.139 1.00 0.00 H new ATOM 0 HE21 GLN A 95 78.113 -12.214 5.689 1.00 0.00 H new ATOM 0 HE22 GLN A 95 77.264 -12.909 7.074 1.00 0.00 H new ATOM 1025 N GLU A 96 76.915 -9.258 7.039 1.00 0.00 N ATOM 1026 CA GLU A 96 75.563 -9.778 6.685 1.00 0.00 C ATOM 1027 C GLU A 96 74.918 -8.902 5.607 1.00 0.00 C ATOM 1028 O GLU A 96 74.130 -9.367 4.807 1.00 0.00 O ATOM 1029 CB GLU A 96 74.759 -9.707 7.983 1.00 0.00 C ATOM 1030 CG GLU A 96 74.882 -11.034 8.734 1.00 0.00 C ATOM 1031 CD GLU A 96 73.914 -12.055 8.130 1.00 0.00 C ATOM 1032 OE1 GLU A 96 74.206 -12.554 7.056 1.00 0.00 O ATOM 1033 OE2 GLU A 96 72.898 -12.318 8.752 1.00 0.00 O ATOM 0 H GLU A 96 77.097 -9.170 8.039 1.00 0.00 H new ATOM 0 HA GLU A 96 75.605 -10.791 6.284 1.00 0.00 H new ATOM 0 HB2 GLU A 96 75.124 -8.890 8.605 1.00 0.00 H new ATOM 0 HB3 GLU A 96 73.712 -9.497 7.764 1.00 0.00 H new ATOM 0 HG2 GLU A 96 75.905 -11.406 8.672 1.00 0.00 H new ATOM 0 HG3 GLU A 96 74.660 -10.888 9.791 1.00 0.00 H new ATOM 1040 N ALA A 97 75.242 -7.638 5.580 1.00 0.00 N ATOM 1041 CA ALA A 97 74.641 -6.735 4.557 1.00 0.00 C ATOM 1042 C ALA A 97 75.209 -7.047 3.172 1.00 0.00 C ATOM 1043 O ALA A 97 74.551 -7.630 2.335 1.00 0.00 O ATOM 1044 CB ALA A 97 75.041 -5.325 4.992 1.00 0.00 C ATOM 0 H ALA A 97 75.897 -7.191 6.222 1.00 0.00 H new ATOM 0 HA ALA A 97 73.559 -6.853 4.489 1.00 0.00 H new ATOM 0 HB1 ALA A 97 74.636 -4.598 4.288 1.00 0.00 H new ATOM 0 HB2 ALA A 97 74.645 -5.125 5.988 1.00 0.00 H new ATOM 0 HB3 ALA A 97 76.128 -5.245 5.011 1.00 0.00 H new ATOM 1050 N ALA A 98 76.425 -6.654 2.928 1.00 0.00 N ATOM 1051 CA ALA A 98 77.048 -6.911 1.596 1.00 0.00 C ATOM 1052 C ALA A 98 77.405 -8.393 1.437 1.00 0.00 C ATOM 1053 O ALA A 98 76.982 -9.043 0.503 1.00 0.00 O ATOM 1054 CB ALA A 98 78.313 -6.054 1.581 1.00 0.00 C ATOM 0 H ALA A 98 77.020 -6.163 3.595 1.00 0.00 H new ATOM 0 HA ALA A 98 76.372 -6.665 0.777 1.00 0.00 H new ATOM 0 HB1 ALA A 98 78.831 -6.187 0.631 1.00 0.00 H new ATOM 0 HB2 ALA A 98 78.043 -5.005 1.704 1.00 0.00 H new ATOM 0 HB3 ALA A 98 78.968 -6.358 2.397 1.00 0.00 H new ATOM 1060 N PHE A 99 78.191 -8.925 2.335 1.00 0.00 N ATOM 1061 CA PHE A 99 78.592 -10.359 2.237 1.00 0.00 C ATOM 1062 C PHE A 99 77.438 -11.228 1.736 1.00 0.00 C ATOM 1063 O PHE A 99 77.569 -11.958 0.773 1.00 0.00 O ATOM 1064 CB PHE A 99 78.966 -10.755 3.662 1.00 0.00 C ATOM 1065 CG PHE A 99 80.071 -11.777 3.614 1.00 0.00 C ATOM 1066 CD1 PHE A 99 81.348 -11.396 3.197 1.00 0.00 C ATOM 1067 CD2 PHE A 99 79.817 -13.103 3.982 1.00 0.00 C ATOM 1068 CE1 PHE A 99 82.378 -12.343 3.147 1.00 0.00 C ATOM 1069 CE2 PHE A 99 80.845 -14.050 3.933 1.00 0.00 C ATOM 1070 CZ PHE A 99 82.126 -13.670 3.515 1.00 0.00 C ATOM 0 H PHE A 99 78.575 -8.425 3.137 1.00 0.00 H new ATOM 0 HA PHE A 99 79.410 -10.499 1.530 1.00 0.00 H new ATOM 0 HB2 PHE A 99 79.288 -9.878 4.224 1.00 0.00 H new ATOM 0 HB3 PHE A 99 78.098 -11.164 4.179 1.00 0.00 H new ATOM 0 HD1 PHE A 99 81.541 -10.372 2.913 1.00 0.00 H new ATOM 0 HD2 PHE A 99 78.828 -13.395 4.304 1.00 0.00 H new ATOM 0 HE1 PHE A 99 83.366 -12.050 2.825 1.00 0.00 H new ATOM 0 HE2 PHE A 99 80.651 -15.074 4.217 1.00 0.00 H new ATOM 0 HZ PHE A 99 82.920 -14.401 3.476 1.00 0.00 H new ATOM 1080 N ALA A 100 76.317 -11.169 2.390 1.00 0.00 N ATOM 1081 CA ALA A 100 75.159 -12.006 1.963 1.00 0.00 C ATOM 1082 C ALA A 100 74.385 -11.331 0.827 1.00 0.00 C ATOM 1083 O ALA A 100 73.314 -11.767 0.454 1.00 0.00 O ATOM 1084 CB ALA A 100 74.281 -12.129 3.209 1.00 0.00 C ATOM 0 H ALA A 100 76.148 -10.578 3.204 1.00 0.00 H new ATOM 0 HA ALA A 100 75.478 -12.977 1.584 1.00 0.00 H new ATOM 0 HB1 ALA A 100 73.404 -12.733 2.978 1.00 0.00 H new ATOM 0 HB2 ALA A 100 74.849 -12.605 4.009 1.00 0.00 H new ATOM 0 HB3 ALA A 100 73.964 -11.137 3.530 1.00 0.00 H new ATOM 1090 N LEU A 101 74.906 -10.268 0.277 1.00 0.00 N ATOM 1091 CA LEU A 101 74.179 -9.579 -0.822 1.00 0.00 C ATOM 1092 C LEU A 101 75.038 -9.503 -2.093 1.00 0.00 C ATOM 1093 O LEU A 101 76.249 -9.426 -2.019 1.00 0.00 O ATOM 1094 CB LEU A 101 73.907 -8.183 -0.278 1.00 0.00 C ATOM 1095 CG LEU A 101 72.703 -8.236 0.659 1.00 0.00 C ATOM 1096 CD1 LEU A 101 72.353 -6.823 1.116 1.00 0.00 C ATOM 1097 CD2 LEU A 101 71.510 -8.846 -0.076 1.00 0.00 C ATOM 0 H LEU A 101 75.798 -9.850 0.540 1.00 0.00 H new ATOM 0 HA LEU A 101 73.268 -10.106 -1.104 1.00 0.00 H new ATOM 0 HB2 LEU A 101 74.782 -7.810 0.255 1.00 0.00 H new ATOM 0 HB3 LEU A 101 73.715 -7.491 -1.098 1.00 0.00 H new ATOM 0 HG LEU A 101 72.945 -8.849 1.527 1.00 0.00 H new ATOM 0 HD11 LEU A 101 71.493 -6.859 1.785 1.00 0.00 H new ATOM 0 HD12 LEU A 101 73.204 -6.389 1.642 1.00 0.00 H new ATOM 0 HD13 LEU A 101 72.111 -6.209 0.248 1.00 0.00 H new ATOM 0 HD21 LEU A 101 70.651 -8.884 0.593 1.00 0.00 H new ATOM 0 HD22 LEU A 101 71.267 -8.235 -0.945 1.00 0.00 H new ATOM 0 HD23 LEU A 101 71.761 -9.856 -0.402 1.00 0.00 H new ATOM 1109 N PRO A 102 74.374 -9.525 -3.226 1.00 0.00 N ATOM 1110 CA PRO A 102 75.073 -9.454 -4.533 1.00 0.00 C ATOM 1111 C PRO A 102 75.823 -8.122 -4.694 1.00 0.00 C ATOM 1112 O PRO A 102 75.443 -7.107 -4.143 1.00 0.00 O ATOM 1113 CB PRO A 102 73.918 -9.564 -5.536 1.00 0.00 C ATOM 1114 CG PRO A 102 72.594 -9.696 -4.759 1.00 0.00 C ATOM 1115 CD PRO A 102 72.894 -9.629 -3.258 1.00 0.00 C ATOM 0 HA PRO A 102 75.833 -10.225 -4.659 1.00 0.00 H new ATOM 0 HB2 PRO A 102 73.892 -8.684 -6.179 1.00 0.00 H new ATOM 0 HB3 PRO A 102 74.063 -10.428 -6.184 1.00 0.00 H new ATOM 0 HG2 PRO A 102 71.908 -8.898 -5.043 1.00 0.00 H new ATOM 0 HG3 PRO A 102 72.105 -10.639 -5.004 1.00 0.00 H new ATOM 0 HD2 PRO A 102 72.417 -8.769 -2.788 1.00 0.00 H new ATOM 0 HD3 PRO A 102 72.539 -10.516 -2.734 1.00 0.00 H new ATOM 1123 N VAL A 103 76.889 -8.130 -5.454 1.00 0.00 N ATOM 1124 CA VAL A 103 77.687 -6.885 -5.675 1.00 0.00 C ATOM 1125 C VAL A 103 76.780 -5.738 -6.148 1.00 0.00 C ATOM 1126 O VAL A 103 75.707 -5.962 -6.669 1.00 0.00 O ATOM 1127 CB VAL A 103 78.698 -7.285 -6.761 1.00 0.00 C ATOM 1128 CG1 VAL A 103 79.142 -6.064 -7.572 1.00 0.00 C ATOM 1129 CG2 VAL A 103 79.920 -7.922 -6.099 1.00 0.00 C ATOM 0 H VAL A 103 77.244 -8.956 -5.936 1.00 0.00 H new ATOM 0 HA VAL A 103 78.174 -6.523 -4.770 1.00 0.00 H new ATOM 0 HB VAL A 103 78.220 -7.995 -7.437 1.00 0.00 H new ATOM 0 HG11 VAL A 103 79.857 -6.374 -8.334 1.00 0.00 H new ATOM 0 HG12 VAL A 103 78.274 -5.611 -8.052 1.00 0.00 H new ATOM 0 HG13 VAL A 103 79.611 -5.337 -6.908 1.00 0.00 H new ATOM 0 HG21 VAL A 103 80.641 -8.208 -6.865 1.00 0.00 H new ATOM 0 HG22 VAL A 103 80.379 -7.206 -5.417 1.00 0.00 H new ATOM 0 HG23 VAL A 103 79.612 -8.807 -5.542 1.00 0.00 H new ATOM 1139 N SER A 104 77.211 -4.508 -5.973 1.00 0.00 N ATOM 1140 CA SER A 104 76.377 -3.340 -6.417 1.00 0.00 C ATOM 1141 C SER A 104 76.920 -2.021 -5.831 1.00 0.00 C ATOM 1142 O SER A 104 77.853 -1.444 -6.354 1.00 0.00 O ATOM 1143 CB SER A 104 74.966 -3.627 -5.896 1.00 0.00 C ATOM 1144 OG SER A 104 74.195 -4.231 -6.924 1.00 0.00 O ATOM 0 H SER A 104 78.103 -4.262 -5.543 1.00 0.00 H new ATOM 0 HA SER A 104 76.392 -3.223 -7.501 1.00 0.00 H new ATOM 0 HB2 SER A 104 75.014 -4.285 -5.029 1.00 0.00 H new ATOM 0 HB3 SER A 104 74.493 -2.701 -5.568 1.00 0.00 H new ATOM 0 HG SER A 104 74.431 -5.180 -6.995 1.00 0.00 H new ATOM 1150 N GLY A 105 76.356 -1.541 -4.746 1.00 0.00 N ATOM 1151 CA GLY A 105 76.855 -0.271 -4.134 1.00 0.00 C ATOM 1152 C GLY A 105 76.402 0.950 -4.939 1.00 0.00 C ATOM 1153 O GLY A 105 75.647 0.846 -5.886 1.00 0.00 O ATOM 0 H GLY A 105 75.572 -1.976 -4.260 1.00 0.00 H new ATOM 0 HA2 GLY A 105 76.490 -0.190 -3.110 1.00 0.00 H new ATOM 0 HA3 GLY A 105 77.944 -0.292 -4.083 1.00 0.00 H new ATOM 1157 N MET A 106 76.883 2.114 -4.566 1.00 0.00 N ATOM 1158 CA MET A 106 76.525 3.366 -5.293 1.00 0.00 C ATOM 1159 C MET A 106 75.044 3.726 -5.059 1.00 0.00 C ATOM 1160 O MET A 106 74.426 3.240 -4.135 1.00 0.00 O ATOM 1161 CB MET A 106 76.827 3.023 -6.750 1.00 0.00 C ATOM 1162 CG MET A 106 77.079 4.295 -7.565 1.00 0.00 C ATOM 1163 SD MET A 106 76.293 4.142 -9.192 1.00 0.00 S ATOM 1164 CE MET A 106 74.583 3.956 -8.626 1.00 0.00 C ATOM 0 H MET A 106 77.516 2.246 -3.778 1.00 0.00 H new ATOM 0 HA MET A 106 77.078 4.244 -4.960 1.00 0.00 H new ATOM 0 HB2 MET A 106 77.700 2.373 -6.802 1.00 0.00 H new ATOM 0 HB3 MET A 106 75.992 2.470 -7.179 1.00 0.00 H new ATOM 0 HG2 MET A 106 76.680 5.162 -7.038 1.00 0.00 H new ATOM 0 HG3 MET A 106 78.150 4.458 -7.682 1.00 0.00 H new ATOM 0 HE1 MET A 106 73.929 3.810 -9.486 1.00 0.00 H new ATOM 0 HE2 MET A 106 74.511 3.093 -7.964 1.00 0.00 H new ATOM 0 HE3 MET A 106 74.279 4.853 -8.087 1.00 0.00 H new ATOM 1174 N ASP A 107 74.479 4.594 -5.868 1.00 0.00 N ATOM 1175 CA ASP A 107 73.051 5.001 -5.671 1.00 0.00 C ATOM 1176 C ASP A 107 72.086 3.908 -6.148 1.00 0.00 C ATOM 1177 O ASP A 107 70.887 4.099 -6.182 1.00 0.00 O ATOM 1178 CB ASP A 107 72.881 6.265 -6.515 1.00 0.00 C ATOM 1179 CG ASP A 107 71.507 6.879 -6.241 1.00 0.00 C ATOM 1180 OD1 ASP A 107 70.833 6.399 -5.344 1.00 0.00 O ATOM 1181 OD2 ASP A 107 71.151 7.820 -6.933 1.00 0.00 O ATOM 0 H ASP A 107 74.948 5.038 -6.658 1.00 0.00 H new ATOM 0 HA ASP A 107 72.825 5.168 -4.618 1.00 0.00 H new ATOM 0 HB2 ASP A 107 73.666 6.983 -6.277 1.00 0.00 H new ATOM 0 HB3 ASP A 107 72.979 6.025 -7.574 1.00 0.00 H new ATOM 1186 N LYS A 108 72.594 2.758 -6.485 1.00 0.00 N ATOM 1187 CA LYS A 108 71.714 1.644 -6.925 1.00 0.00 C ATOM 1188 C LYS A 108 72.258 0.330 -6.355 1.00 0.00 C ATOM 1189 O LYS A 108 72.516 -0.600 -7.093 1.00 0.00 O ATOM 1190 CB LYS A 108 71.793 1.649 -8.452 1.00 0.00 C ATOM 1191 CG LYS A 108 70.877 0.559 -9.015 1.00 0.00 C ATOM 1192 CD LYS A 108 71.621 -0.221 -10.100 1.00 0.00 C ATOM 1193 CE LYS A 108 70.609 -0.913 -11.016 1.00 0.00 C ATOM 1194 NZ LYS A 108 70.166 0.147 -11.965 1.00 0.00 N ATOM 0 H LYS A 108 73.591 2.541 -6.474 1.00 0.00 H new ATOM 0 HA LYS A 108 70.684 1.752 -6.584 1.00 0.00 H new ATOM 0 HB2 LYS A 108 71.496 2.624 -8.839 1.00 0.00 H new ATOM 0 HB3 LYS A 108 72.820 1.478 -8.774 1.00 0.00 H new ATOM 0 HG2 LYS A 108 70.563 -0.115 -8.218 1.00 0.00 H new ATOM 0 HG3 LYS A 108 69.973 1.006 -9.429 1.00 0.00 H new ATOM 0 HD2 LYS A 108 72.251 0.453 -10.680 1.00 0.00 H new ATOM 0 HD3 LYS A 108 72.280 -0.960 -9.644 1.00 0.00 H new ATOM 0 HE2 LYS A 108 71.063 -1.752 -11.544 1.00 0.00 H new ATOM 0 HE3 LYS A 108 69.769 -1.311 -10.447 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 69.137 0.081 -12.104 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 70.404 1.082 -11.577 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 70.647 0.019 -12.878 1.00 0.00 H new ATOM 1208 N PRO A 109 72.438 0.302 -5.054 1.00 0.00 N ATOM 1209 CA PRO A 109 72.983 -0.901 -4.387 1.00 0.00 C ATOM 1210 C PRO A 109 72.012 -2.075 -4.500 1.00 0.00 C ATOM 1211 O PRO A 109 70.989 -1.994 -5.150 1.00 0.00 O ATOM 1212 CB PRO A 109 73.131 -0.447 -2.933 1.00 0.00 C ATOM 1213 CG PRO A 109 72.663 1.016 -2.826 1.00 0.00 C ATOM 1214 CD PRO A 109 72.106 1.456 -4.180 1.00 0.00 C ATOM 0 HA PRO A 109 73.917 -1.252 -4.825 1.00 0.00 H new ATOM 0 HB2 PRO A 109 72.538 -1.083 -2.276 1.00 0.00 H new ATOM 0 HB3 PRO A 109 74.169 -0.537 -2.612 1.00 0.00 H new ATOM 0 HG2 PRO A 109 71.899 1.112 -2.054 1.00 0.00 H new ATOM 0 HG3 PRO A 109 73.494 1.658 -2.533 1.00 0.00 H new ATOM 0 HD2 PRO A 109 71.032 1.637 -4.138 1.00 0.00 H new ATOM 0 HD3 PRO A 109 72.571 2.377 -4.530 1.00 0.00 H new ATOM 1222 N VAL A 110 72.332 -3.171 -3.873 1.00 0.00 N ATOM 1223 CA VAL A 110 71.449 -4.360 -3.936 1.00 0.00 C ATOM 1224 C VAL A 110 70.180 -4.137 -3.103 1.00 0.00 C ATOM 1225 O VAL A 110 69.839 -3.023 -2.759 1.00 0.00 O ATOM 1226 CB VAL A 110 72.305 -5.488 -3.357 1.00 0.00 C ATOM 1227 CG1 VAL A 110 72.208 -5.505 -1.829 1.00 0.00 C ATOM 1228 CG2 VAL A 110 71.817 -6.817 -3.904 1.00 0.00 C ATOM 0 H VAL A 110 73.177 -3.292 -3.315 1.00 0.00 H new ATOM 0 HA VAL A 110 71.105 -4.580 -4.947 1.00 0.00 H new ATOM 0 HB VAL A 110 73.344 -5.324 -3.642 1.00 0.00 H new ATOM 0 HG11 VAL A 110 72.823 -6.314 -1.434 1.00 0.00 H new ATOM 0 HG12 VAL A 110 72.561 -4.553 -1.431 1.00 0.00 H new ATOM 0 HG13 VAL A 110 71.171 -5.660 -1.532 1.00 0.00 H new ATOM 0 HG21 VAL A 110 72.424 -7.624 -3.494 1.00 0.00 H new ATOM 0 HG22 VAL A 110 70.775 -6.967 -3.621 1.00 0.00 H new ATOM 0 HG23 VAL A 110 71.901 -6.816 -4.991 1.00 0.00 H new ATOM 1238 N PHE A 111 69.486 -5.194 -2.774 1.00 0.00 N ATOM 1239 CA PHE A 111 68.245 -5.056 -1.961 1.00 0.00 C ATOM 1240 C PHE A 111 68.450 -4.030 -0.853 1.00 0.00 C ATOM 1241 O PHE A 111 67.576 -3.243 -0.544 1.00 0.00 O ATOM 1242 CB PHE A 111 68.011 -6.445 -1.369 1.00 0.00 C ATOM 1243 CG PHE A 111 67.723 -7.422 -2.485 1.00 0.00 C ATOM 1244 CD1 PHE A 111 66.441 -7.490 -3.044 1.00 0.00 C ATOM 1245 CD2 PHE A 111 68.741 -8.253 -2.966 1.00 0.00 C ATOM 1246 CE1 PHE A 111 66.178 -8.392 -4.083 1.00 0.00 C ATOM 1247 CE2 PHE A 111 68.480 -9.153 -4.006 1.00 0.00 C ATOM 1248 CZ PHE A 111 67.198 -9.223 -4.564 1.00 0.00 C ATOM 0 H PHE A 111 69.727 -6.150 -3.035 1.00 0.00 H new ATOM 0 HA PHE A 111 67.397 -4.714 -2.554 1.00 0.00 H new ATOM 0 HB2 PHE A 111 68.888 -6.766 -0.807 1.00 0.00 H new ATOM 0 HB3 PHE A 111 67.176 -6.418 -0.669 1.00 0.00 H new ATOM 0 HD1 PHE A 111 65.656 -6.847 -2.674 1.00 0.00 H new ATOM 0 HD2 PHE A 111 69.730 -8.200 -2.534 1.00 0.00 H new ATOM 0 HE1 PHE A 111 65.189 -8.447 -4.513 1.00 0.00 H new ATOM 0 HE2 PHE A 111 69.267 -9.793 -4.377 1.00 0.00 H new ATOM 0 HZ PHE A 111 66.995 -9.918 -5.366 1.00 0.00 H new ATOM 1258 N THR A 112 69.599 -4.037 -0.249 1.00 0.00 N ATOM 1259 CA THR A 112 69.867 -3.065 0.850 1.00 0.00 C ATOM 1260 C THR A 112 70.050 -1.653 0.303 1.00 0.00 C ATOM 1261 O THR A 112 70.701 -1.442 -0.700 1.00 0.00 O ATOM 1262 CB THR A 112 71.165 -3.534 1.500 1.00 0.00 C ATOM 1263 OG1 THR A 112 72.009 -4.121 0.522 1.00 0.00 O ATOM 1264 CG2 THR A 112 70.840 -4.557 2.574 1.00 0.00 C ATOM 0 H THR A 112 70.367 -4.672 -0.465 1.00 0.00 H new ATOM 0 HA THR A 112 69.035 -3.030 1.554 1.00 0.00 H new ATOM 0 HB THR A 112 71.678 -2.682 1.946 1.00 0.00 H new ATOM 0 HG1 THR A 112 72.902 -4.258 0.901 1.00 0.00 H new ATOM 0 HG21 THR A 112 71.763 -4.897 3.044 1.00 0.00 H new ATOM 0 HG22 THR A 112 70.196 -4.102 3.327 1.00 0.00 H new ATOM 0 HG23 THR A 112 70.327 -5.407 2.124 1.00 0.00 H new ATOM 1272 N ASP A 113 69.506 -0.680 0.977 1.00 0.00 N ATOM 1273 CA ASP A 113 69.681 0.723 0.515 1.00 0.00 C ATOM 1274 C ASP A 113 71.090 1.177 0.896 1.00 0.00 C ATOM 1275 O ASP A 113 71.712 0.581 1.750 1.00 0.00 O ATOM 1276 CB ASP A 113 68.626 1.551 1.259 1.00 0.00 C ATOM 1277 CG ASP A 113 67.329 0.745 1.394 1.00 0.00 C ATOM 1278 OD1 ASP A 113 67.272 -0.104 2.268 1.00 0.00 O ATOM 1279 OD2 ASP A 113 66.419 0.992 0.621 1.00 0.00 O ATOM 0 H ASP A 113 68.950 -0.795 1.824 1.00 0.00 H new ATOM 0 HA ASP A 113 69.561 0.833 -0.563 1.00 0.00 H new ATOM 0 HB2 ASP A 113 68.997 1.827 2.246 1.00 0.00 H new ATOM 0 HB3 ASP A 113 68.433 2.479 0.720 1.00 0.00 H new ATOM 1284 N PRO A 114 71.563 2.203 0.248 1.00 0.00 N ATOM 1285 CA PRO A 114 72.922 2.702 0.538 1.00 0.00 C ATOM 1286 C PRO A 114 73.073 3.135 2.012 1.00 0.00 C ATOM 1287 O PRO A 114 73.948 2.656 2.697 1.00 0.00 O ATOM 1288 CB PRO A 114 73.076 3.859 -0.461 1.00 0.00 C ATOM 1289 CG PRO A 114 71.783 3.958 -1.299 1.00 0.00 C ATOM 1290 CD PRO A 114 70.783 2.910 -0.794 1.00 0.00 C ATOM 0 HA PRO A 114 73.703 1.950 0.421 1.00 0.00 H new ATOM 0 HB2 PRO A 114 73.257 4.795 0.068 1.00 0.00 H new ATOM 0 HB3 PRO A 114 73.935 3.688 -1.109 1.00 0.00 H new ATOM 0 HG2 PRO A 114 71.356 4.957 -1.216 1.00 0.00 H new ATOM 0 HG3 PRO A 114 72.003 3.792 -2.353 1.00 0.00 H new ATOM 0 HD2 PRO A 114 69.883 3.370 -0.386 1.00 0.00 H new ATOM 0 HD3 PRO A 114 70.464 2.237 -1.589 1.00 0.00 H new ATOM 1298 N PRO A 115 72.226 4.013 2.469 1.00 0.00 N ATOM 1299 CA PRO A 115 72.309 4.493 3.875 1.00 0.00 C ATOM 1300 C PRO A 115 72.020 3.365 4.877 1.00 0.00 C ATOM 1301 O PRO A 115 71.013 3.381 5.557 1.00 0.00 O ATOM 1302 CB PRO A 115 71.204 5.549 3.930 1.00 0.00 C ATOM 1303 CG PRO A 115 70.532 5.637 2.544 1.00 0.00 C ATOM 1304 CD PRO A 115 71.146 4.570 1.629 1.00 0.00 C ATOM 0 HA PRO A 115 73.298 4.868 4.138 1.00 0.00 H new ATOM 0 HB2 PRO A 115 70.468 5.286 4.690 1.00 0.00 H new ATOM 0 HB3 PRO A 115 71.620 6.517 4.210 1.00 0.00 H new ATOM 0 HG2 PRO A 115 69.457 5.483 2.635 1.00 0.00 H new ATOM 0 HG3 PRO A 115 70.676 6.629 2.117 1.00 0.00 H new ATOM 0 HD2 PRO A 115 70.418 3.809 1.347 1.00 0.00 H new ATOM 0 HD3 PRO A 115 71.532 5.001 0.705 1.00 0.00 H new ATOM 1312 N VAL A 116 72.892 2.399 4.997 1.00 0.00 N ATOM 1313 CA VAL A 116 72.649 1.308 5.981 1.00 0.00 C ATOM 1314 C VAL A 116 73.261 1.692 7.327 1.00 0.00 C ATOM 1315 O VAL A 116 74.233 2.418 7.396 1.00 0.00 O ATOM 1316 CB VAL A 116 73.339 0.066 5.423 1.00 0.00 C ATOM 1317 CG1 VAL A 116 72.808 -0.241 4.018 1.00 0.00 C ATOM 1318 CG2 VAL A 116 74.846 0.295 5.378 1.00 0.00 C ATOM 0 H VAL A 116 73.755 2.320 4.460 1.00 0.00 H new ATOM 0 HA VAL A 116 71.585 1.130 6.133 1.00 0.00 H new ATOM 0 HB VAL A 116 73.127 -0.785 6.070 1.00 0.00 H new ATOM 0 HG11 VAL A 116 73.305 -1.129 3.627 1.00 0.00 H new ATOM 0 HG12 VAL A 116 71.734 -0.419 4.066 1.00 0.00 H new ATOM 0 HG13 VAL A 116 73.007 0.606 3.361 1.00 0.00 H new ATOM 0 HG21 VAL A 116 75.337 -0.593 4.979 1.00 0.00 H new ATOM 0 HG22 VAL A 116 75.065 1.149 4.738 1.00 0.00 H new ATOM 0 HG23 VAL A 116 75.214 0.492 6.385 1.00 0.00 H new ATOM 1328 N LYS A 117 72.698 1.223 8.397 1.00 0.00 N ATOM 1329 CA LYS A 117 73.244 1.575 9.737 1.00 0.00 C ATOM 1330 C LYS A 117 73.820 0.338 10.428 1.00 0.00 C ATOM 1331 O LYS A 117 73.347 -0.766 10.249 1.00 0.00 O ATOM 1332 CB LYS A 117 72.047 2.119 10.508 1.00 0.00 C ATOM 1333 CG LYS A 117 72.537 2.874 11.746 1.00 0.00 C ATOM 1334 CD LYS A 117 72.291 2.021 12.993 1.00 0.00 C ATOM 1335 CE LYS A 117 70.797 1.703 13.105 1.00 0.00 C ATOM 1336 NZ LYS A 117 70.532 1.625 14.569 1.00 0.00 N ATOM 0 H LYS A 117 71.883 0.610 8.406 1.00 0.00 H new ATOM 0 HA LYS A 117 74.058 2.297 9.676 1.00 0.00 H new ATOM 0 HB2 LYS A 117 71.463 2.783 9.872 1.00 0.00 H new ATOM 0 HB3 LYS A 117 71.390 1.301 10.804 1.00 0.00 H new ATOM 0 HG2 LYS A 117 73.599 3.100 11.651 1.00 0.00 H new ATOM 0 HG3 LYS A 117 72.015 3.827 11.835 1.00 0.00 H new ATOM 0 HD2 LYS A 117 72.867 1.098 12.935 1.00 0.00 H new ATOM 0 HD3 LYS A 117 72.629 2.552 13.883 1.00 0.00 H new ATOM 0 HE2 LYS A 117 70.192 2.478 12.634 1.00 0.00 H new ATOM 0 HE3 LYS A 117 70.554 0.763 12.609 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 69.527 1.410 14.729 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 71.118 0.875 14.988 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 70.766 2.536 15.013 1.00 0.00 H new ATOM 1350 N THR A 118 74.843 0.521 11.216 1.00 0.00 N ATOM 1351 CA THR A 118 75.460 -0.637 11.922 1.00 0.00 C ATOM 1352 C THR A 118 75.979 -0.199 13.293 1.00 0.00 C ATOM 1353 O THR A 118 75.512 -0.652 14.320 1.00 0.00 O ATOM 1354 CB THR A 118 76.618 -1.068 11.024 1.00 0.00 C ATOM 1355 OG1 THR A 118 77.567 -0.014 10.939 1.00 0.00 O ATOM 1356 CG2 THR A 118 76.086 -1.392 9.627 1.00 0.00 C ATOM 0 H THR A 118 75.279 1.424 11.402 1.00 0.00 H new ATOM 0 HA THR A 118 74.751 -1.447 12.094 1.00 0.00 H new ATOM 0 HB THR A 118 77.095 -1.953 11.444 1.00 0.00 H new ATOM 0 HG1 THR A 118 78.312 -0.290 10.364 1.00 0.00 H new ATOM 0 HG21 THR A 118 76.912 -1.700 8.986 1.00 0.00 H new ATOM 0 HG22 THR A 118 75.358 -2.200 9.693 1.00 0.00 H new ATOM 0 HG23 THR A 118 75.609 -0.507 9.205 1.00 0.00 H new ATOM 1364 N LYS A 119 76.941 0.681 13.316 1.00 0.00 N ATOM 1365 CA LYS A 119 77.492 1.154 14.618 1.00 0.00 C ATOM 1366 C LYS A 119 78.086 2.555 14.455 1.00 0.00 C ATOM 1367 O LYS A 119 79.045 2.915 15.109 1.00 0.00 O ATOM 1368 CB LYS A 119 78.584 0.145 14.977 1.00 0.00 C ATOM 1369 CG LYS A 119 79.223 0.537 16.310 1.00 0.00 C ATOM 1370 CD LYS A 119 79.011 -0.588 17.326 1.00 0.00 C ATOM 1371 CE LYS A 119 80.129 -1.626 17.181 1.00 0.00 C ATOM 1372 NZ LYS A 119 81.174 -1.219 18.166 1.00 0.00 N ATOM 0 H LYS A 119 77.371 1.094 12.488 1.00 0.00 H new ATOM 0 HA LYS A 119 76.729 1.218 15.394 1.00 0.00 H new ATOM 0 HB2 LYS A 119 78.160 -0.857 15.046 1.00 0.00 H new ATOM 0 HB3 LYS A 119 79.341 0.118 14.193 1.00 0.00 H new ATOM 0 HG2 LYS A 119 80.288 0.723 16.174 1.00 0.00 H new ATOM 0 HG3 LYS A 119 78.782 1.463 16.679 1.00 0.00 H new ATOM 0 HD2 LYS A 119 79.006 -0.182 18.338 1.00 0.00 H new ATOM 0 HD3 LYS A 119 78.041 -1.058 17.166 1.00 0.00 H new ATOM 0 HE2 LYS A 119 79.762 -2.631 17.389 1.00 0.00 H new ATOM 0 HE3 LYS A 119 80.527 -1.636 16.166 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 81.971 -1.886 18.122 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 81.511 -0.262 17.939 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 80.769 -1.226 19.124 1.00 0.00 H new ATOM 1386 N PHE A 120 77.522 3.349 13.584 1.00 0.00 N ATOM 1387 CA PHE A 120 78.055 4.726 13.377 1.00 0.00 C ATOM 1388 C PHE A 120 76.990 5.614 12.727 1.00 0.00 C ATOM 1389 O PHE A 120 76.617 6.642 13.257 1.00 0.00 O ATOM 1390 CB PHE A 120 79.251 4.550 12.441 1.00 0.00 C ATOM 1391 CG PHE A 120 80.505 5.025 13.134 1.00 0.00 C ATOM 1392 CD1 PHE A 120 80.693 6.390 13.382 1.00 0.00 C ATOM 1393 CD2 PHE A 120 81.480 4.101 13.527 1.00 0.00 C ATOM 1394 CE1 PHE A 120 81.856 6.830 14.025 1.00 0.00 C ATOM 1395 CE2 PHE A 120 82.643 4.541 14.169 1.00 0.00 C ATOM 1396 CZ PHE A 120 82.831 5.906 14.418 1.00 0.00 C ATOM 0 H PHE A 120 76.717 3.104 13.008 1.00 0.00 H new ATOM 0 HA PHE A 120 78.338 5.205 14.314 1.00 0.00 H new ATOM 0 HB2 PHE A 120 79.354 3.503 12.157 1.00 0.00 H new ATOM 0 HB3 PHE A 120 79.094 5.115 11.522 1.00 0.00 H new ATOM 0 HD1 PHE A 120 79.941 7.103 13.077 1.00 0.00 H new ATOM 0 HD2 PHE A 120 81.335 3.048 13.335 1.00 0.00 H new ATOM 0 HE1 PHE A 120 82.001 7.883 14.218 1.00 0.00 H new ATOM 0 HE2 PHE A 120 83.395 3.828 14.472 1.00 0.00 H new ATOM 0 HZ PHE A 120 83.728 6.246 14.913 1.00 0.00 H new ATOM 1406 N GLY A 121 76.499 5.227 11.580 1.00 0.00 N ATOM 1407 CA GLY A 121 75.461 6.050 10.898 1.00 0.00 C ATOM 1408 C GLY A 121 74.994 5.331 9.631 1.00 0.00 C ATOM 1409 O GLY A 121 75.103 4.127 9.515 1.00 0.00 O ATOM 0 H GLY A 121 76.772 4.377 11.087 1.00 0.00 H new ATOM 0 HA2 GLY A 121 74.617 6.217 11.567 1.00 0.00 H new ATOM 0 HA3 GLY A 121 75.866 7.030 10.645 1.00 0.00 H new ATOM 1413 N TYR A 122 74.476 6.059 8.678 1.00 0.00 N ATOM 1414 CA TYR A 122 74.006 5.409 7.419 1.00 0.00 C ATOM 1415 C TYR A 122 75.133 5.390 6.382 1.00 0.00 C ATOM 1416 O TYR A 122 75.335 6.343 5.656 1.00 0.00 O ATOM 1417 CB TYR A 122 72.844 6.277 6.928 1.00 0.00 C ATOM 1418 CG TYR A 122 71.599 5.994 7.743 1.00 0.00 C ATOM 1419 CD1 TYR A 122 71.687 5.286 8.950 1.00 0.00 C ATOM 1420 CD2 TYR A 122 70.355 6.444 7.286 1.00 0.00 C ATOM 1421 CE1 TYR A 122 70.531 5.028 9.696 1.00 0.00 C ATOM 1422 CE2 TYR A 122 69.199 6.186 8.034 1.00 0.00 C ATOM 1423 CZ TYR A 122 69.287 5.478 9.238 1.00 0.00 C ATOM 1424 OH TYR A 122 68.148 5.225 9.974 1.00 0.00 O ATOM 0 H TYR A 122 74.358 7.071 8.716 1.00 0.00 H new ATOM 0 HA TYR A 122 73.701 4.375 7.580 1.00 0.00 H new ATOM 0 HB2 TYR A 122 73.109 7.331 7.009 1.00 0.00 H new ATOM 0 HB3 TYR A 122 72.651 6.077 5.874 1.00 0.00 H new ATOM 0 HD1 TYR A 122 72.647 4.940 9.304 1.00 0.00 H new ATOM 0 HD2 TYR A 122 70.286 6.990 6.357 1.00 0.00 H new ATOM 0 HE1 TYR A 122 70.599 4.482 10.625 1.00 0.00 H new ATOM 0 HE2 TYR A 122 68.239 6.534 7.681 1.00 0.00 H new ATOM 0 HH TYR A 122 67.371 5.607 9.515 1.00 0.00 H new ATOM 1434 N HIS A 123 75.872 4.316 6.308 1.00 0.00 N ATOM 1435 CA HIS A 123 76.987 4.251 5.318 1.00 0.00 C ATOM 1436 C HIS A 123 76.549 3.492 4.066 1.00 0.00 C ATOM 1437 O HIS A 123 75.749 2.582 4.135 1.00 0.00 O ATOM 1438 CB HIS A 123 78.127 3.516 6.032 1.00 0.00 C ATOM 1439 CG HIS A 123 77.690 2.130 6.420 1.00 0.00 C ATOM 1440 ND1 HIS A 123 78.080 1.007 5.708 1.00 0.00 N ATOM 1441 CD2 HIS A 123 76.912 1.667 7.452 1.00 0.00 C ATOM 1442 CE1 HIS A 123 77.545 -0.065 6.317 1.00 0.00 C ATOM 1443 NE2 HIS A 123 76.823 0.280 7.386 1.00 0.00 N ATOM 0 H HIS A 123 75.753 3.484 6.887 1.00 0.00 H new ATOM 0 HA HIS A 123 77.295 5.243 4.988 1.00 0.00 H new ATOM 0 HB2 HIS A 123 78.999 3.461 5.380 1.00 0.00 H new ATOM 0 HB3 HIS A 123 78.428 4.072 6.920 1.00 0.00 H new ATOM 0 HD1 HIS A 123 78.666 0.996 4.874 1.00 0.00 H new ATOM 0 HD2 HIS A 123 76.441 2.285 8.201 1.00 0.00 H new ATOM 0 HE1 HIS A 123 77.682 -1.083 5.982 1.00 0.00 H new ATOM 1451 N ILE A 124 77.074 3.849 2.922 1.00 0.00 N ATOM 1452 CA ILE A 124 76.680 3.130 1.677 1.00 0.00 C ATOM 1453 C ILE A 124 77.612 1.944 1.453 1.00 0.00 C ATOM 1454 O ILE A 124 78.798 2.099 1.244 1.00 0.00 O ATOM 1455 CB ILE A 124 76.805 4.146 0.536 1.00 0.00 C ATOM 1456 CG1 ILE A 124 75.777 5.268 0.733 1.00 0.00 C ATOM 1457 CG2 ILE A 124 76.519 3.436 -0.790 1.00 0.00 C ATOM 1458 CD1 ILE A 124 75.752 6.168 -0.511 1.00 0.00 C ATOM 0 H ILE A 124 77.752 4.601 2.798 1.00 0.00 H new ATOM 0 HA ILE A 124 75.664 2.740 1.737 1.00 0.00 H new ATOM 0 HB ILE A 124 77.809 4.569 0.529 1.00 0.00 H new ATOM 0 HG12 ILE A 124 74.788 4.843 0.907 1.00 0.00 H new ATOM 0 HG13 ILE A 124 76.030 5.856 1.615 1.00 0.00 H new ATOM 0 HG21 ILE A 124 76.605 4.149 -1.610 1.00 0.00 H new ATOM 0 HG22 ILE A 124 77.238 2.629 -0.933 1.00 0.00 H new ATOM 0 HG23 ILE A 124 75.510 3.024 -0.772 1.00 0.00 H new ATOM 0 HD11 ILE A 124 75.021 6.964 -0.369 1.00 0.00 H new ATOM 0 HD12 ILE A 124 76.739 6.604 -0.664 1.00 0.00 H new ATOM 0 HD13 ILE A 124 75.478 5.575 -1.384 1.00 0.00 H new ATOM 1470 N ILE A 125 77.076 0.753 1.504 1.00 0.00 N ATOM 1471 CA ILE A 125 77.917 -0.451 1.305 1.00 0.00 C ATOM 1472 C ILE A 125 77.957 -0.808 -0.173 1.00 0.00 C ATOM 1473 O ILE A 125 76.951 -1.103 -0.785 1.00 0.00 O ATOM 1474 CB ILE A 125 77.222 -1.555 2.101 1.00 0.00 C ATOM 1475 CG1 ILE A 125 77.513 -1.381 3.592 1.00 0.00 C ATOM 1476 CG2 ILE A 125 77.734 -2.916 1.638 1.00 0.00 C ATOM 1477 CD1 ILE A 125 76.920 -2.564 4.362 1.00 0.00 C ATOM 0 H ILE A 125 76.088 0.567 1.676 1.00 0.00 H new ATOM 0 HA ILE A 125 78.946 -0.301 1.632 1.00 0.00 H new ATOM 0 HB ILE A 125 76.146 -1.494 1.936 1.00 0.00 H new ATOM 0 HG12 ILE A 125 78.588 -1.324 3.761 1.00 0.00 H new ATOM 0 HG13 ILE A 125 77.084 -0.446 3.952 1.00 0.00 H new ATOM 0 HG21 ILE A 125 77.238 -3.704 2.206 1.00 0.00 H new ATOM 0 HG22 ILE A 125 77.520 -3.044 0.577 1.00 0.00 H new ATOM 0 HG23 ILE A 125 78.810 -2.974 1.800 1.00 0.00 H new ATOM 0 HD11 ILE A 125 77.125 -2.445 5.426 1.00 0.00 H new ATOM 0 HD12 ILE A 125 75.842 -2.599 4.201 1.00 0.00 H new ATOM 0 HD13 ILE A 125 77.370 -3.491 4.007 1.00 0.00 H new ATOM 1489 N MET A 126 79.117 -0.782 -0.746 1.00 0.00 N ATOM 1490 CA MET A 126 79.243 -1.115 -2.176 1.00 0.00 C ATOM 1491 C MET A 126 80.053 -2.402 -2.322 1.00 0.00 C ATOM 1492 O MET A 126 81.263 -2.395 -2.267 1.00 0.00 O ATOM 1493 CB MET A 126 79.949 0.115 -2.774 1.00 0.00 C ATOM 1494 CG MET A 126 81.085 -0.296 -3.716 1.00 0.00 C ATOM 1495 SD MET A 126 81.481 1.070 -4.845 1.00 0.00 S ATOM 1496 CE MET A 126 81.082 2.451 -3.740 1.00 0.00 C ATOM 0 H MET A 126 79.991 -0.542 -0.278 1.00 0.00 H new ATOM 0 HA MET A 126 78.298 -1.306 -2.685 1.00 0.00 H new ATOM 0 HB2 MET A 126 79.226 0.723 -3.317 1.00 0.00 H new ATOM 0 HB3 MET A 126 80.347 0.735 -1.970 1.00 0.00 H new ATOM 0 HG2 MET A 126 81.968 -0.568 -3.137 1.00 0.00 H new ATOM 0 HG3 MET A 126 80.794 -1.178 -4.287 1.00 0.00 H new ATOM 0 HE1 MET A 126 81.457 3.380 -4.169 1.00 0.00 H new ATOM 0 HE2 MET A 126 80.001 2.518 -3.618 1.00 0.00 H new ATOM 0 HE3 MET A 126 81.547 2.286 -2.768 1.00 0.00 H new ATOM 1506 N VAL A 127 79.386 -3.503 -2.518 1.00 0.00 N ATOM 1507 CA VAL A 127 80.116 -4.793 -2.670 1.00 0.00 C ATOM 1508 C VAL A 127 80.442 -4.994 -4.142 1.00 0.00 C ATOM 1509 O VAL A 127 79.568 -5.031 -4.981 1.00 0.00 O ATOM 1510 CB VAL A 127 79.161 -5.889 -2.171 1.00 0.00 C ATOM 1511 CG1 VAL A 127 77.742 -5.628 -2.683 1.00 0.00 C ATOM 1512 CG2 VAL A 127 79.635 -7.251 -2.688 1.00 0.00 C ATOM 0 H VAL A 127 78.370 -3.567 -2.580 1.00 0.00 H new ATOM 0 HA VAL A 127 81.049 -4.814 -2.107 1.00 0.00 H new ATOM 0 HB VAL A 127 79.157 -5.883 -1.081 1.00 0.00 H new ATOM 0 HG11 VAL A 127 77.075 -6.411 -2.323 1.00 0.00 H new ATOM 0 HG12 VAL A 127 77.396 -4.661 -2.319 1.00 0.00 H new ATOM 0 HG13 VAL A 127 77.743 -5.626 -3.773 1.00 0.00 H new ATOM 0 HG21 VAL A 127 78.959 -8.030 -2.335 1.00 0.00 H new ATOM 0 HG22 VAL A 127 79.643 -7.244 -3.778 1.00 0.00 H new ATOM 0 HG23 VAL A 127 80.641 -7.450 -2.319 1.00 0.00 H new ATOM 1522 N GLU A 128 81.696 -5.104 -4.465 1.00 0.00 N ATOM 1523 CA GLU A 128 82.081 -5.282 -5.871 1.00 0.00 C ATOM 1524 C GLU A 128 83.373 -6.083 -5.935 1.00 0.00 C ATOM 1525 O GLU A 128 84.432 -5.588 -5.697 1.00 0.00 O ATOM 1526 CB GLU A 128 82.297 -3.866 -6.406 1.00 0.00 C ATOM 1527 CG GLU A 128 81.847 -3.801 -7.867 1.00 0.00 C ATOM 1528 CD GLU A 128 83.044 -4.074 -8.781 1.00 0.00 C ATOM 1529 OE1 GLU A 128 84.161 -3.855 -8.342 1.00 0.00 O ATOM 1530 OE2 GLU A 128 82.822 -4.496 -9.904 1.00 0.00 O ATOM 0 H GLU A 128 82.472 -5.077 -3.803 1.00 0.00 H new ATOM 0 HA GLU A 128 81.331 -5.818 -6.453 1.00 0.00 H new ATOM 0 HB2 GLU A 128 81.734 -3.150 -5.808 1.00 0.00 H new ATOM 0 HB3 GLU A 128 83.349 -3.591 -6.325 1.00 0.00 H new ATOM 0 HG2 GLU A 128 81.061 -4.534 -8.050 1.00 0.00 H new ATOM 0 HG3 GLU A 128 81.425 -2.820 -8.086 1.00 0.00 H new ATOM 1537 N GLY A 129 83.279 -7.322 -6.214 1.00 0.00 N ATOM 1538 CA GLY A 129 84.495 -8.173 -6.290 1.00 0.00 C ATOM 1539 C GLY A 129 84.416 -9.234 -5.215 1.00 0.00 C ATOM 1540 O GLY A 129 84.987 -9.093 -4.158 1.00 0.00 O ATOM 0 H GLY A 129 82.402 -7.808 -6.399 1.00 0.00 H new ATOM 0 HA2 GLY A 129 84.570 -8.637 -7.273 1.00 0.00 H new ATOM 0 HA3 GLY A 129 85.390 -7.565 -6.155 1.00 0.00 H new ATOM 1544 N ARG A 130 83.704 -10.289 -5.469 1.00 0.00 N ATOM 1545 CA ARG A 130 83.588 -11.353 -4.443 1.00 0.00 C ATOM 1546 C ARG A 130 84.007 -12.707 -5.021 1.00 0.00 C ATOM 1547 O ARG A 130 84.248 -12.845 -6.204 1.00 0.00 O ATOM 1548 CB ARG A 130 82.111 -11.347 -4.038 1.00 0.00 C ATOM 1549 CG ARG A 130 81.703 -12.716 -3.484 1.00 0.00 C ATOM 1550 CD ARG A 130 80.205 -12.712 -3.171 1.00 0.00 C ATOM 1551 NE ARG A 130 79.632 -13.789 -4.029 1.00 0.00 N ATOM 1552 CZ ARG A 130 78.368 -14.098 -3.930 1.00 0.00 C ATOM 1553 NH1 ARG A 130 77.714 -13.830 -2.834 1.00 0.00 N ATOM 1554 NH2 ARG A 130 77.757 -14.675 -4.929 1.00 0.00 N ATOM 0 H ARG A 130 83.199 -10.461 -6.339 1.00 0.00 H new ATOM 0 HA ARG A 130 84.239 -11.180 -3.586 1.00 0.00 H new ATOM 0 HB2 ARG A 130 81.937 -10.577 -3.287 1.00 0.00 H new ATOM 0 HB3 ARG A 130 81.492 -11.097 -4.900 1.00 0.00 H new ATOM 0 HG2 ARG A 130 81.932 -13.497 -4.209 1.00 0.00 H new ATOM 0 HG3 ARG A 130 82.273 -12.941 -2.583 1.00 0.00 H new ATOM 0 HD2 ARG A 130 80.021 -12.908 -2.115 1.00 0.00 H new ATOM 0 HD3 ARG A 130 79.756 -11.745 -3.398 1.00 0.00 H new ATOM 0 HE ARG A 130 80.228 -14.284 -4.693 1.00 0.00 H new ATOM 0 HH11 ARG A 130 78.190 -13.378 -2.053 1.00 0.00 H new ATOM 0 HH12 ARG A 130 76.726 -14.072 -2.758 1.00 0.00 H new ATOM 0 HH21 ARG A 130 78.268 -14.884 -5.787 1.00 0.00 H new ATOM 0 HH22 ARG A 130 76.769 -14.917 -4.852 1.00 0.00 H new ATOM 1568 N LYS A 131 84.092 -13.702 -4.186 1.00 0.00 N ATOM 1569 CA LYS A 131 84.496 -15.054 -4.669 1.00 0.00 C ATOM 1570 C LYS A 131 83.257 -15.873 -5.042 1.00 0.00 C ATOM 1571 O LYS A 131 82.787 -15.726 -6.158 1.00 0.00 O ATOM 1572 CB LYS A 131 85.229 -15.698 -3.491 1.00 0.00 C ATOM 1573 CG LYS A 131 86.179 -14.678 -2.858 1.00 0.00 C ATOM 1574 CD LYS A 131 87.183 -14.194 -3.907 1.00 0.00 C ATOM 1575 CE LYS A 131 88.605 -14.438 -3.401 1.00 0.00 C ATOM 1576 NZ LYS A 131 89.317 -13.149 -3.628 1.00 0.00 N ATOM 1577 OXT LYS A 131 82.800 -16.634 -4.204 1.00 0.00 O ATOM 0 H LYS A 131 83.899 -13.639 -3.186 1.00 0.00 H new ATOM 0 HA LYS A 131 85.124 -15.002 -5.558 1.00 0.00 H new ATOM 0 HB2 LYS A 131 84.510 -16.049 -2.751 1.00 0.00 H new ATOM 0 HB3 LYS A 131 85.789 -16.570 -3.830 1.00 0.00 H new ATOM 0 HG2 LYS A 131 85.613 -13.834 -2.464 1.00 0.00 H new ATOM 0 HG3 LYS A 131 86.705 -15.129 -2.017 1.00 0.00 H new ATOM 0 HD2 LYS A 131 87.025 -14.721 -4.848 1.00 0.00 H new ATOM 0 HD3 LYS A 131 87.034 -13.133 -4.107 1.00 0.00 H new ATOM 0 HE2 LYS A 131 88.608 -14.711 -2.346 1.00 0.00 H new ATOM 0 HE3 LYS A 131 89.083 -15.254 -3.943 1.00 0.00 H new ATOM 0 HZ1 LYS A 131 90.270 -13.201 -3.214 1.00 0.00 H new ATOM 0 HZ2 LYS A 131 89.392 -12.969 -4.650 1.00 0.00 H new ATOM 0 HZ3 LYS A 131 88.786 -12.376 -3.179 1.00 0.00 H new TER 1591 LYS A 131