USER MOD reduce.3.24.130724 H: found=0, std=0, add=1203, rem=0, adj=41 USER MOD reduce.3.24.130724 removed 1201 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 98 SER OG : rot 90:sc= -1.01 USER MOD Set 1.2: A 107 GLN : amide:sc= -0.932 X(o=-1.9,f=-2) USER MOD Set 2.1: A 83 HIS :FLIP no HE2:sc= -0.254 F(o=-0.9,f=-0.29) USER MOD Set 2.2: A 89 SER OG : rot 180:sc= -0.0384 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot 180:sc= 0.00129 USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 14 CYS SG : rot 42:sc= 0.217 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 THR OG1 : rot -50:sc= 1.18 USER MOD Single : A 34 ASN :FLIP amide:sc= -3.67! C(o=-4.4!,f=-3.7!) USER MOD Single : A 35 ASN : amide:sc= -0.571 K(o=-0.57,f=-4.8!) USER MOD Single : A 40 MET CE :methyl 154:sc= -3.98! (180deg=-5.7!) USER MOD Single : A 41 LYS NZ :NH3+ -164:sc= 0.536 (180deg=0.37) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 GLN : amide:sc= -0.0632 X(o=-0.063,f=0) USER MOD Single : A 48 MET CE :methyl -143:sc= 0 (180deg=-0.23) USER MOD Single : A 56 GLN :FLIP amide:sc= -0.751 F(o=-2.3,f=-0.75) USER MOD Single : A 57 ASN :FLIP amide:sc= -4.4! C(o=-5.6!,f=-4.4!) USER MOD Single : A 59 SER OG : rot 180:sc= -0.263 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 GLN : amide:sc= 0 X(o=0,f=-0.081) USER MOD Single : A 77 TYR OH : rot 4:sc= 0.213 USER MOD Single : A 78 SER OG : rot -120:sc= -0.241 USER MOD Single : A 79 TYR OH : rot 165:sc= -0.312 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 TYR OH : rot 180:sc= -5.11! USER MOD Single : A 93 CYS SG : rot -137:sc= -3.64! USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 102 CYS SG : rot 74:sc= -2.57 USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 GLN : amide:sc= -0.25 X(o=-0.25,f=-0.00017) USER MOD Single : A 108 MET CE :methyl -170:sc= 0 (180deg=-0.147) USER MOD Single : A 109 MET CE :methyl 172:sc= -3.43 (180deg=-3.8!) USER MOD Single : A 110 TYR OH : rot 180:sc= 0 USER MOD Single : A 113 SER OG : rot 103:sc= 1.69 USER MOD Single : A 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 115 ASN : amide:sc= -0.959 K(o=-0.96,f=-1.8) USER MOD Single : A 119 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 120 THR OG1 : rot 82:sc= 0.238 USER MOD Single : A 124 THR OG1 : rot 180:sc= 0 USER MOD Single : A 125 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 131 THR OG1 : rot 180:sc= 0 USER MOD Single : A 132 THR OG1 : rot 180:sc= 0 USER MOD Single : A 136 THR OG1 : rot -81:sc= 0.141 USER MOD Single : A 138 THR OG1 : rot 180:sc= 0 USER MOD Single : A 141 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 143 LYS NZ :NH3+ 173:sc= 0.493 (180deg=0.466) USER MOD Single : A 146 SER OG : rot 180:sc= 0 USER MOD Single : A 149 SER OG : rot 180:sc= 0 USER MOD Single : A 150 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 9.140 -24.438 16.170 1.00 3.15 N ATOM 2 CA GLY A 1 9.579 -23.457 15.196 1.00 42.43 C ATOM 3 C GLY A 1 10.523 -22.431 15.791 1.00 2.22 C ATOM 4 O GLY A 1 10.123 -21.623 16.631 1.00 64.53 O ATOM 0 H1 GLY A 1 8.497 -25.116 15.714 1.00 3.15 H new ATOM 0 H2 GLY A 1 9.966 -24.944 16.549 1.00 3.15 H new ATOM 0 H3 GLY A 1 8.642 -23.958 16.947 1.00 3.15 H new ATOM 0 HA2 GLY A 1 10.075 -23.967 14.370 1.00 42.43 H new ATOM 0 HA3 GLY A 1 8.709 -22.948 14.780 1.00 42.43 H new ATOM 8 N SER A 2 11.779 -22.461 15.357 1.00 24.33 N ATOM 9 CA SER A 2 12.783 -21.530 15.857 1.00 64.32 C ATOM 10 C SER A 2 13.434 -20.766 14.708 1.00 3.11 C ATOM 11 O SER A 2 13.363 -21.181 13.552 1.00 34.42 O ATOM 12 CB SER A 2 13.852 -22.280 16.656 1.00 55.03 C ATOM 13 OG SER A 2 13.444 -22.469 17.999 1.00 24.52 O ATOM 0 H SER A 2 12.125 -23.120 14.660 1.00 24.33 H new ATOM 0 HA SER A 2 12.286 -20.814 16.512 1.00 64.32 H new ATOM 0 HB2 SER A 2 14.046 -23.247 16.192 1.00 55.03 H new ATOM 0 HB3 SER A 2 14.788 -21.721 16.632 1.00 55.03 H new ATOM 0 HG SER A 2 14.143 -22.952 18.488 1.00 24.52 H new ATOM 19 N SER A 3 14.071 -19.646 15.037 1.00 61.22 N ATOM 20 CA SER A 3 14.732 -18.820 14.034 1.00 71.45 C ATOM 21 C SER A 3 13.729 -18.307 13.004 1.00 20.41 C ATOM 22 O SER A 3 12.742 -18.975 12.697 1.00 13.30 O ATOM 23 CB SER A 3 15.835 -19.615 13.334 1.00 63.42 C ATOM 24 OG SER A 3 17.063 -19.509 14.034 1.00 43.30 O ATOM 0 H SER A 3 14.143 -19.290 15.990 1.00 61.22 H new ATOM 0 HA SER A 3 15.176 -17.964 14.541 1.00 71.45 H new ATOM 0 HB2 SER A 3 15.543 -20.663 13.262 1.00 63.42 H new ATOM 0 HB3 SER A 3 15.961 -19.249 12.315 1.00 63.42 H new ATOM 0 HG SER A 3 17.751 -20.027 13.567 1.00 43.30 H new ATOM 30 N GLY A 4 13.989 -17.117 12.475 1.00 40.30 N ATOM 31 CA GLY A 4 13.101 -16.533 11.486 1.00 33.31 C ATOM 32 C GLY A 4 13.784 -16.316 10.150 1.00 33.31 C ATOM 33 O GLY A 4 13.381 -16.892 9.139 1.00 41.31 O ATOM 0 H GLY A 4 14.799 -16.545 12.713 1.00 40.30 H new ATOM 0 HA2 GLY A 4 12.238 -17.184 11.348 1.00 33.31 H new ATOM 0 HA3 GLY A 4 12.725 -15.580 11.858 1.00 33.31 H new ATOM 37 N SER A 5 14.818 -15.482 10.144 1.00 11.42 N ATOM 38 CA SER A 5 15.554 -15.185 8.921 1.00 70.31 C ATOM 39 C SER A 5 14.621 -14.641 7.844 1.00 52.31 C ATOM 40 O SER A 5 13.801 -15.374 7.290 1.00 51.34 O ATOM 41 CB SER A 5 16.263 -16.441 8.411 1.00 4.42 C ATOM 42 OG SER A 5 17.647 -16.406 8.719 1.00 53.44 O ATOM 0 H SER A 5 15.165 -15.000 10.973 1.00 11.42 H new ATOM 0 HA SER A 5 16.299 -14.423 9.150 1.00 70.31 H new ATOM 0 HB2 SER A 5 15.810 -17.325 8.859 1.00 4.42 H new ATOM 0 HB3 SER A 5 16.129 -16.525 7.333 1.00 4.42 H new ATOM 0 HG SER A 5 18.077 -17.220 8.384 1.00 53.44 H new ATOM 48 N SER A 6 14.752 -13.351 7.552 1.00 34.23 N ATOM 49 CA SER A 6 13.918 -12.706 6.545 1.00 12.11 C ATOM 50 C SER A 6 14.756 -11.807 5.641 1.00 53.32 C ATOM 51 O SER A 6 14.624 -11.840 4.418 1.00 21.34 O ATOM 52 CB SER A 6 12.813 -11.887 7.214 1.00 32.54 C ATOM 53 OG SER A 6 11.855 -11.451 6.265 1.00 71.34 O ATOM 0 H SER A 6 15.428 -12.732 7.999 1.00 34.23 H new ATOM 0 HA SER A 6 13.463 -13.485 5.934 1.00 12.11 H new ATOM 0 HB2 SER A 6 12.323 -12.489 7.980 1.00 32.54 H new ATOM 0 HB3 SER A 6 13.250 -11.024 7.717 1.00 32.54 H new ATOM 0 HG SER A 6 11.159 -10.931 6.718 1.00 71.34 H new ATOM 59 N GLY A 7 15.620 -11.002 6.253 1.00 35.11 N ATOM 60 CA GLY A 7 16.467 -10.104 5.490 1.00 21.45 C ATOM 61 C GLY A 7 17.491 -9.398 6.355 1.00 11.22 C ATOM 62 O GLY A 7 17.146 -8.516 7.142 1.00 10.12 O ATOM 0 H GLY A 7 15.748 -10.956 7.264 1.00 35.11 H new ATOM 0 HA2 GLY A 7 16.981 -10.668 4.711 1.00 21.45 H new ATOM 0 HA3 GLY A 7 15.846 -9.362 4.989 1.00 21.45 H new ATOM 66 N SER A 8 18.754 -9.787 6.212 1.00 41.33 N ATOM 67 CA SER A 8 19.832 -9.189 6.992 1.00 54.33 C ATOM 68 C SER A 8 20.973 -8.741 6.084 1.00 3.44 C ATOM 69 O SER A 8 20.953 -8.980 4.877 1.00 31.13 O ATOM 70 CB SER A 8 20.351 -10.183 8.032 1.00 50.12 C ATOM 71 OG SER A 8 21.001 -9.513 9.097 1.00 24.31 O ATOM 0 H SER A 8 19.056 -10.514 5.563 1.00 41.33 H new ATOM 0 HA SER A 8 19.434 -8.314 7.506 1.00 54.33 H new ATOM 0 HB2 SER A 8 19.521 -10.773 8.422 1.00 50.12 H new ATOM 0 HB3 SER A 8 21.044 -10.880 7.560 1.00 50.12 H new ATOM 0 HG SER A 8 21.322 -10.170 9.749 1.00 24.31 H new ATOM 77 N ASP A 9 21.969 -8.089 6.676 1.00 14.50 N ATOM 78 CA ASP A 9 23.121 -7.607 5.923 1.00 2.34 C ATOM 79 C ASP A 9 22.683 -6.684 4.791 1.00 54.13 C ATOM 80 O ASP A 9 22.615 -7.096 3.632 1.00 5.04 O ATOM 81 CB ASP A 9 23.917 -8.785 5.360 1.00 64.21 C ATOM 82 CG ASP A 9 24.659 -9.551 6.437 1.00 73.53 C ATOM 83 OD1 ASP A 9 25.818 -9.192 6.730 1.00 72.34 O ATOM 84 OD2 ASP A 9 24.079 -10.512 6.988 1.00 51.25 O ATOM 0 H ASP A 9 22.001 -7.883 7.674 1.00 14.50 H new ATOM 0 HA ASP A 9 23.758 -7.040 6.602 1.00 2.34 H new ATOM 0 HB2 ASP A 9 23.239 -9.461 4.839 1.00 64.21 H new ATOM 0 HB3 ASP A 9 24.631 -8.418 4.622 1.00 64.21 H new ATOM 89 N SER A 10 22.386 -5.435 5.132 1.00 11.13 N ATOM 90 CA SER A 10 21.950 -4.455 4.145 1.00 14.24 C ATOM 91 C SER A 10 20.757 -4.978 3.351 1.00 11.34 C ATOM 92 O SER A 10 20.352 -6.131 3.503 1.00 62.14 O ATOM 93 CB SER A 10 23.098 -4.110 3.195 1.00 63.41 C ATOM 94 OG SER A 10 23.333 -2.714 3.163 1.00 54.53 O ATOM 0 H SER A 10 22.439 -5.077 6.086 1.00 11.13 H new ATOM 0 HA SER A 10 21.644 -3.553 4.675 1.00 14.24 H new ATOM 0 HB2 SER A 10 24.004 -4.627 3.512 1.00 63.41 H new ATOM 0 HB3 SER A 10 22.863 -4.465 2.192 1.00 63.41 H new ATOM 0 HG SER A 10 24.073 -2.521 2.550 1.00 54.53 H new ATOM 100 N LEU A 11 20.197 -4.121 2.504 1.00 52.40 N ATOM 101 CA LEU A 11 19.050 -4.495 1.684 1.00 33.35 C ATOM 102 C LEU A 11 19.128 -3.844 0.307 1.00 12.34 C ATOM 103 O LEU A 11 20.115 -3.186 -0.024 1.00 71.22 O ATOM 104 CB LEU A 11 17.749 -4.090 2.379 1.00 34.52 C ATOM 105 CG LEU A 11 17.586 -4.557 3.826 1.00 23.42 C ATOM 106 CD1 LEU A 11 16.702 -3.595 4.602 1.00 12.43 C ATOM 107 CD2 LEU A 11 17.012 -5.966 3.871 1.00 41.23 C ATOM 0 H LEU A 11 20.519 -3.163 2.367 1.00 52.40 H new ATOM 0 HA LEU A 11 19.065 -5.577 1.554 1.00 33.35 H new ATOM 0 HB2 LEU A 11 17.673 -3.003 2.359 1.00 34.52 H new ATOM 0 HB3 LEU A 11 16.914 -4.479 1.797 1.00 34.52 H new ATOM 0 HG LEU A 11 18.570 -4.572 4.295 1.00 23.42 H new ATOM 0 HD11 LEU A 11 16.598 -3.944 5.629 1.00 12.43 H new ATOM 0 HD12 LEU A 11 17.154 -2.603 4.600 1.00 12.43 H new ATOM 0 HD13 LEU A 11 15.719 -3.546 4.134 1.00 12.43 H new ATOM 0 HD21 LEU A 11 16.903 -6.282 4.909 1.00 41.23 H new ATOM 0 HD22 LEU A 11 16.037 -5.977 3.384 1.00 41.23 H new ATOM 0 HD23 LEU A 11 17.684 -6.650 3.353 1.00 41.23 H new ATOM 119 N VAL A 12 18.080 -4.028 -0.490 1.00 24.14 N ATOM 120 CA VAL A 12 18.030 -3.455 -1.830 1.00 74.41 C ATOM 121 C VAL A 12 17.360 -2.085 -1.817 1.00 21.35 C ATOM 122 O VAL A 12 16.558 -1.766 -2.694 1.00 31.13 O ATOM 123 CB VAL A 12 17.271 -4.375 -2.804 1.00 73.51 C ATOM 124 CG1 VAL A 12 17.635 -4.045 -4.244 1.00 13.12 C ATOM 125 CG2 VAL A 12 17.563 -5.836 -2.494 1.00 71.40 C ATOM 0 H VAL A 12 17.255 -4.569 -0.231 1.00 24.14 H new ATOM 0 HA VAL A 12 19.061 -3.349 -2.169 1.00 74.41 H new ATOM 0 HB VAL A 12 16.202 -4.206 -2.676 1.00 73.51 H new ATOM 0 HG11 VAL A 12 17.089 -4.705 -4.918 1.00 13.12 H new ATOM 0 HG12 VAL A 12 17.371 -3.009 -4.458 1.00 13.12 H new ATOM 0 HG13 VAL A 12 18.706 -4.184 -4.389 1.00 13.12 H new ATOM 0 HG21 VAL A 12 17.018 -6.472 -3.192 1.00 71.40 H new ATOM 0 HG22 VAL A 12 18.632 -6.022 -2.592 1.00 71.40 H new ATOM 0 HG23 VAL A 12 17.248 -6.062 -1.475 1.00 71.40 H new ATOM 135 N VAL A 13 17.697 -1.278 -0.816 1.00 34.04 N ATOM 136 CA VAL A 13 17.131 0.059 -0.689 1.00 14.13 C ATOM 137 C VAL A 13 17.046 0.751 -2.044 1.00 75.32 C ATOM 138 O VAL A 13 18.059 1.175 -2.601 1.00 24.33 O ATOM 139 CB VAL A 13 17.961 0.932 0.270 1.00 21.52 C ATOM 140 CG1 VAL A 13 17.422 2.354 0.301 1.00 3.23 C ATOM 141 CG2 VAL A 13 17.974 0.327 1.666 1.00 33.11 C ATOM 0 H VAL A 13 18.359 -1.527 -0.081 1.00 34.04 H new ATOM 0 HA VAL A 13 16.127 -0.060 -0.282 1.00 14.13 H new ATOM 0 HB VAL A 13 18.987 0.966 -0.095 1.00 21.52 H new ATOM 0 HG11 VAL A 13 18.022 2.956 0.984 1.00 3.23 H new ATOM 0 HG12 VAL A 13 17.471 2.784 -0.700 1.00 3.23 H new ATOM 0 HG13 VAL A 13 16.386 2.343 0.641 1.00 3.23 H new ATOM 0 HG21 VAL A 13 18.565 0.957 2.330 1.00 33.11 H new ATOM 0 HG22 VAL A 13 16.953 0.260 2.043 1.00 33.11 H new ATOM 0 HG23 VAL A 13 18.413 -0.670 1.626 1.00 33.11 H new ATOM 151 N CYS A 14 15.831 0.863 -2.570 1.00 51.31 N ATOM 152 CA CYS A 14 15.613 1.505 -3.862 1.00 22.54 C ATOM 153 C CYS A 14 15.157 2.948 -3.682 1.00 54.45 C ATOM 154 O CYS A 14 15.044 3.438 -2.559 1.00 43.35 O ATOM 155 CB CYS A 14 14.576 0.726 -4.672 1.00 72.15 C ATOM 156 SG CYS A 14 15.148 -0.890 -5.246 1.00 71.22 S ATOM 0 H CYS A 14 14.982 0.518 -2.122 1.00 51.31 H new ATOM 0 HA CYS A 14 16.559 1.508 -4.403 1.00 22.54 H new ATOM 0 HB2 CYS A 14 13.684 0.588 -4.062 1.00 72.15 H new ATOM 0 HB3 CYS A 14 14.282 1.323 -5.535 1.00 72.15 H new ATOM 0 HG CYS A 14 15.806 -1.481 -4.293 1.00 71.22 H new ATOM 162 N GLU A 15 14.897 3.625 -4.797 1.00 62.31 N ATOM 163 CA GLU A 15 14.456 5.014 -4.761 1.00 74.11 C ATOM 164 C GLU A 15 12.997 5.133 -5.192 1.00 73.35 C ATOM 165 O GLU A 15 12.494 4.308 -5.956 1.00 33.32 O ATOM 166 CB GLU A 15 15.338 5.876 -5.667 1.00 41.11 C ATOM 167 CG GLU A 15 15.057 5.688 -7.149 1.00 32.44 C ATOM 168 CD GLU A 15 16.283 5.918 -8.009 1.00 64.32 C ATOM 169 OE1 GLU A 15 16.906 6.993 -7.878 1.00 74.55 O ATOM 170 OE2 GLU A 15 16.621 5.024 -8.813 1.00 61.34 O ATOM 0 H GLU A 15 14.984 3.234 -5.735 1.00 62.31 H new ATOM 0 HA GLU A 15 14.544 5.370 -3.734 1.00 74.11 H new ATOM 0 HB2 GLU A 15 15.194 6.925 -5.409 1.00 41.11 H new ATOM 0 HB3 GLU A 15 16.384 5.641 -5.472 1.00 41.11 H new ATOM 0 HG2 GLU A 15 14.683 4.678 -7.319 1.00 32.44 H new ATOM 0 HG3 GLU A 15 14.269 6.376 -7.456 1.00 32.44 H new ATOM 177 N VAL A 16 12.321 6.164 -4.696 1.00 40.45 N ATOM 178 CA VAL A 16 10.920 6.393 -5.029 1.00 23.43 C ATOM 179 C VAL A 16 10.782 7.086 -6.380 1.00 73.43 C ATOM 180 O VAL A 16 10.923 8.304 -6.481 1.00 14.32 O ATOM 181 CB VAL A 16 10.219 7.243 -3.953 1.00 54.15 C ATOM 182 CG1 VAL A 16 10.866 8.616 -3.853 1.00 73.05 C ATOM 183 CG2 VAL A 16 8.733 7.365 -4.257 1.00 33.03 C ATOM 0 H VAL A 16 12.721 6.855 -4.061 1.00 40.45 H new ATOM 0 HA VAL A 16 10.442 5.415 -5.076 1.00 23.43 H new ATOM 0 HB VAL A 16 10.330 6.745 -2.990 1.00 54.15 H new ATOM 0 HG11 VAL A 16 10.358 9.203 -3.088 1.00 73.05 H new ATOM 0 HG12 VAL A 16 11.917 8.504 -3.586 1.00 73.05 H new ATOM 0 HG13 VAL A 16 10.788 9.126 -4.813 1.00 73.05 H new ATOM 0 HG21 VAL A 16 8.252 7.969 -3.487 1.00 33.03 H new ATOM 0 HG22 VAL A 16 8.598 7.841 -5.228 1.00 33.03 H new ATOM 0 HG23 VAL A 16 8.282 6.373 -4.274 1.00 33.03 H new ATOM 193 N ASP A 17 10.505 6.300 -7.416 1.00 11.22 N ATOM 194 CA ASP A 17 10.346 6.838 -8.762 1.00 12.21 C ATOM 195 C ASP A 17 9.738 8.237 -8.719 1.00 54.04 C ATOM 196 O ASP A 17 8.840 8.527 -7.928 1.00 43.42 O ATOM 197 CB ASP A 17 9.467 5.913 -9.603 1.00 61.32 C ATOM 198 CG ASP A 17 9.466 6.292 -11.071 1.00 21.40 C ATOM 199 OD1 ASP A 17 8.618 7.117 -11.471 1.00 10.34 O ATOM 200 OD2 ASP A 17 10.314 5.763 -11.821 1.00 32.41 O ATOM 0 H ASP A 17 10.386 5.289 -7.349 1.00 11.22 H new ATOM 0 HA ASP A 17 11.333 6.904 -9.220 1.00 12.21 H new ATOM 0 HB2 ASP A 17 9.818 4.887 -9.496 1.00 61.32 H new ATOM 0 HB3 ASP A 17 8.446 5.942 -9.223 1.00 61.32 H new ATOM 205 N PRO A 18 10.238 9.127 -9.590 1.00 23.54 N ATOM 206 CA PRO A 18 9.760 10.510 -9.671 1.00 73.40 C ATOM 207 C PRO A 18 8.347 10.602 -10.239 1.00 22.25 C ATOM 208 O PRO A 18 7.588 11.506 -9.892 1.00 33.12 O ATOM 209 CB PRO A 18 10.761 11.176 -10.618 1.00 53.24 C ATOM 210 CG PRO A 18 11.293 10.062 -11.451 1.00 55.45 C ATOM 211 CD PRO A 18 11.309 8.851 -10.562 1.00 30.13 C ATOM 0 HA PRO A 18 9.703 10.980 -8.689 1.00 73.40 H new ATOM 0 HB2 PRO A 18 10.279 11.935 -11.234 1.00 53.24 H new ATOM 0 HB3 PRO A 18 11.558 11.673 -10.065 1.00 53.24 H new ATOM 0 HG2 PRO A 18 10.665 9.895 -12.326 1.00 55.45 H new ATOM 0 HG3 PRO A 18 12.294 10.291 -11.816 1.00 55.45 H new ATOM 0 HD2 PRO A 18 11.116 7.937 -11.124 1.00 30.13 H new ATOM 0 HD3 PRO A 18 12.274 8.725 -10.071 1.00 30.13 H new ATOM 219 N GLU A 19 8.002 9.661 -11.110 1.00 52.15 N ATOM 220 CA GLU A 19 6.680 9.637 -11.725 1.00 52.23 C ATOM 221 C GLU A 19 5.619 9.202 -10.718 1.00 53.22 C ATOM 222 O GLU A 19 4.445 9.551 -10.846 1.00 55.31 O ATOM 223 CB GLU A 19 6.670 8.696 -12.931 1.00 40.23 C ATOM 224 CG GLU A 19 6.279 7.269 -12.587 1.00 31.02 C ATOM 225 CD GLU A 19 4.859 6.937 -13.000 1.00 14.10 C ATOM 226 OE1 GLU A 19 4.667 6.472 -14.143 1.00 44.03 O ATOM 227 OE2 GLU A 19 3.938 7.142 -12.181 1.00 63.32 O ATOM 0 H GLU A 19 8.619 8.905 -11.406 1.00 52.15 H new ATOM 0 HA GLU A 19 6.446 10.647 -12.060 1.00 52.23 H new ATOM 0 HB2 GLU A 19 5.977 9.084 -13.678 1.00 40.23 H new ATOM 0 HB3 GLU A 19 7.660 8.693 -13.387 1.00 40.23 H new ATOM 0 HG2 GLU A 19 6.966 6.580 -13.077 1.00 31.02 H new ATOM 0 HG3 GLU A 19 6.386 7.116 -11.513 1.00 31.02 H new ATOM 234 N LEU A 20 6.041 8.438 -9.717 1.00 2.25 N ATOM 235 CA LEU A 20 5.128 7.954 -8.687 1.00 42.02 C ATOM 236 C LEU A 20 5.016 8.957 -7.543 1.00 2.33 C ATOM 237 O LEU A 20 3.940 9.158 -6.981 1.00 73.22 O ATOM 238 CB LEU A 20 5.604 6.603 -8.151 1.00 32.15 C ATOM 239 CG LEU A 20 4.507 5.618 -7.745 1.00 71.53 C ATOM 240 CD1 LEU A 20 5.109 4.273 -7.369 1.00 43.15 C ATOM 241 CD2 LEU A 20 3.686 6.178 -6.593 1.00 5.01 C ATOM 0 H LEU A 20 7.009 8.140 -9.596 1.00 2.25 H new ATOM 0 HA LEU A 20 4.143 7.833 -9.137 1.00 42.02 H new ATOM 0 HB2 LEU A 20 6.225 6.131 -8.912 1.00 32.15 H new ATOM 0 HB3 LEU A 20 6.242 6.782 -7.286 1.00 32.15 H new ATOM 0 HG LEU A 20 3.845 5.470 -8.598 1.00 71.53 H new ATOM 0 HD11 LEU A 20 4.313 3.585 -7.083 1.00 43.15 H new ATOM 0 HD12 LEU A 20 5.651 3.866 -8.222 1.00 43.15 H new ATOM 0 HD13 LEU A 20 5.795 4.403 -6.532 1.00 43.15 H new ATOM 0 HD21 LEU A 20 2.910 5.463 -6.318 1.00 5.01 H new ATOM 0 HD22 LEU A 20 4.336 6.356 -5.736 1.00 5.01 H new ATOM 0 HD23 LEU A 20 3.223 7.116 -6.899 1.00 5.01 H new ATOM 253 N LYS A 21 6.136 9.587 -7.203 1.00 62.32 N ATOM 254 CA LYS A 21 6.165 10.572 -6.129 1.00 61.04 C ATOM 255 C LYS A 21 4.971 11.517 -6.225 1.00 74.42 C ATOM 256 O LYS A 21 4.315 11.804 -5.224 1.00 71.13 O ATOM 257 CB LYS A 21 7.468 11.374 -6.180 1.00 35.05 C ATOM 258 CG LYS A 21 7.731 12.187 -4.924 1.00 73.34 C ATOM 259 CD LYS A 21 8.364 13.529 -5.251 1.00 10.31 C ATOM 260 CE LYS A 21 9.841 13.552 -4.887 1.00 23.21 C ATOM 261 NZ LYS A 21 10.252 14.865 -4.319 1.00 52.25 N ATOM 0 H LYS A 21 7.036 9.432 -7.657 1.00 62.32 H new ATOM 0 HA LYS A 21 6.110 10.039 -5.180 1.00 61.04 H new ATOM 0 HB2 LYS A 21 8.301 10.689 -6.340 1.00 35.05 H new ATOM 0 HB3 LYS A 21 7.438 12.046 -7.038 1.00 35.05 H new ATOM 0 HG2 LYS A 21 6.794 12.346 -4.390 1.00 73.34 H new ATOM 0 HG3 LYS A 21 8.387 11.627 -4.258 1.00 73.34 H new ATOM 0 HD2 LYS A 21 8.247 13.738 -6.314 1.00 10.31 H new ATOM 0 HD3 LYS A 21 7.843 14.320 -4.711 1.00 10.31 H new ATOM 0 HE2 LYS A 21 10.049 12.763 -4.165 1.00 23.21 H new ATOM 0 HE3 LYS A 21 10.437 13.338 -5.774 1.00 23.21 H new ATOM 0 HZ1 LYS A 21 11.265 14.840 -4.084 1.00 52.25 H new ATOM 0 HZ2 LYS A 21 10.077 15.615 -5.017 1.00 52.25 H new ATOM 0 HZ3 LYS A 21 9.702 15.058 -3.458 1.00 52.25 H new ATOM 275 N GLU A 22 4.695 11.994 -7.434 1.00 74.42 N ATOM 276 CA GLU A 22 3.579 12.905 -7.659 1.00 11.20 C ATOM 277 C GLU A 22 2.247 12.208 -7.400 1.00 30.22 C ATOM 278 O GLU A 22 1.365 12.753 -6.735 1.00 13.12 O ATOM 279 CB GLU A 22 3.613 13.446 -9.089 1.00 51.51 C ATOM 280 CG GLU A 22 5.010 13.795 -9.575 1.00 23.11 C ATOM 281 CD GLU A 22 5.006 14.884 -10.631 1.00 23.34 C ATOM 282 OE1 GLU A 22 4.113 15.755 -10.582 1.00 13.20 O ATOM 283 OE2 GLU A 22 5.897 14.864 -11.505 1.00 71.03 O ATOM 0 H GLU A 22 5.228 11.765 -8.273 1.00 74.42 H new ATOM 0 HA GLU A 22 3.677 13.737 -6.961 1.00 11.20 H new ATOM 0 HB2 GLU A 22 3.179 12.704 -9.759 1.00 51.51 H new ATOM 0 HB3 GLU A 22 2.985 14.335 -9.147 1.00 51.51 H new ATOM 0 HG2 GLU A 22 5.615 14.118 -8.728 1.00 23.11 H new ATOM 0 HG3 GLU A 22 5.483 12.901 -9.982 1.00 23.11 H new ATOM 290 N THR A 23 2.107 10.996 -7.929 1.00 72.10 N ATOM 291 CA THR A 23 0.883 10.224 -7.757 1.00 75.34 C ATOM 292 C THR A 23 0.426 10.233 -6.303 1.00 53.30 C ATOM 293 O THR A 23 -0.739 10.506 -6.008 1.00 44.53 O ATOM 294 CB THR A 23 1.070 8.765 -8.215 1.00 33.24 C ATOM 295 OG1 THR A 23 1.036 8.692 -9.645 1.00 3.35 O ATOM 296 CG2 THR A 23 -0.014 7.871 -7.631 1.00 51.21 C ATOM 0 H THR A 23 2.827 10.528 -8.480 1.00 72.10 H new ATOM 0 HA THR A 23 0.122 10.697 -8.377 1.00 75.34 H new ATOM 0 HB THR A 23 2.039 8.416 -7.857 1.00 33.24 H new ATOM 0 HG1 THR A 23 1.157 7.762 -9.928 1.00 3.35 H new ATOM 0 HG21 THR A 23 0.139 6.846 -7.968 1.00 51.21 H new ATOM 0 HG22 THR A 23 0.033 7.906 -6.543 1.00 51.21 H new ATOM 0 HG23 THR A 23 -0.992 8.220 -7.963 1.00 51.21 H new ATOM 304 N LEU A 24 1.350 9.933 -5.396 1.00 53.21 N ATOM 305 CA LEU A 24 1.042 9.908 -3.970 1.00 55.31 C ATOM 306 C LEU A 24 0.595 11.283 -3.485 1.00 11.54 C ATOM 307 O LEU A 24 -0.472 11.424 -2.885 1.00 43.34 O ATOM 308 CB LEU A 24 2.263 9.445 -3.173 1.00 13.10 C ATOM 309 CG LEU A 24 3.005 8.228 -3.727 1.00 55.10 C ATOM 310 CD1 LEU A 24 4.231 7.920 -2.882 1.00 35.12 C ATOM 311 CD2 LEU A 24 2.078 7.022 -3.787 1.00 23.41 C ATOM 0 H LEU A 24 2.318 9.704 -5.623 1.00 53.21 H new ATOM 0 HA LEU A 24 0.224 9.205 -3.812 1.00 55.31 H new ATOM 0 HB2 LEU A 24 2.966 10.276 -3.109 1.00 13.10 H new ATOM 0 HB3 LEU A 24 1.943 9.218 -2.156 1.00 13.10 H new ATOM 0 HG LEU A 24 3.337 8.457 -4.740 1.00 55.10 H new ATOM 0 HD11 LEU A 24 4.746 7.051 -3.291 1.00 35.12 H new ATOM 0 HD12 LEU A 24 4.903 8.778 -2.890 1.00 35.12 H new ATOM 0 HD13 LEU A 24 3.923 7.710 -1.858 1.00 35.12 H new ATOM 0 HD21 LEU A 24 2.622 6.165 -4.184 1.00 23.41 H new ATOM 0 HD22 LEU A 24 1.717 6.791 -2.785 1.00 23.41 H new ATOM 0 HD23 LEU A 24 1.231 7.246 -4.436 1.00 23.41 H new ATOM 323 N ARG A 25 1.416 12.294 -3.750 1.00 73.12 N ATOM 324 CA ARG A 25 1.104 13.659 -3.341 1.00 62.44 C ATOM 325 C ARG A 25 -0.298 14.054 -3.793 1.00 54.31 C ATOM 326 O ARG A 25 -0.957 14.879 -3.160 1.00 71.12 O ATOM 327 CB ARG A 25 2.132 14.634 -3.919 1.00 21.04 C ATOM 328 CG ARG A 25 1.944 16.066 -3.447 1.00 52.13 C ATOM 329 CD ARG A 25 2.998 16.990 -4.037 1.00 65.13 C ATOM 330 NE ARG A 25 3.903 17.510 -3.015 1.00 43.20 N ATOM 331 CZ ARG A 25 3.517 18.318 -2.034 1.00 55.11 C ATOM 332 NH1 ARG A 25 2.249 18.697 -1.943 1.00 31.20 N ATOM 333 NH2 ARG A 25 4.399 18.750 -1.143 1.00 35.55 N ATOM 0 H ARG A 25 2.302 12.194 -4.246 1.00 73.12 H new ATOM 0 HA ARG A 25 1.142 13.704 -2.253 1.00 62.44 H new ATOM 0 HB2 ARG A 25 3.132 14.298 -3.646 1.00 21.04 H new ATOM 0 HB3 ARG A 25 2.073 14.608 -5.007 1.00 21.04 H new ATOM 0 HG2 ARG A 25 0.952 16.416 -3.731 1.00 52.13 H new ATOM 0 HG3 ARG A 25 1.996 16.101 -2.359 1.00 52.13 H new ATOM 0 HD2 ARG A 25 3.573 16.451 -4.790 1.00 65.13 H new ATOM 0 HD3 ARG A 25 2.508 17.821 -4.545 1.00 65.13 H new ATOM 0 HE ARG A 25 4.885 17.238 -3.057 1.00 43.20 H new ATOM 0 HH11 ARG A 25 1.568 18.368 -2.627 1.00 31.20 H new ATOM 0 HH12 ARG A 25 1.955 19.318 -1.189 1.00 31.20 H new ATOM 0 HH21 ARG A 25 5.375 18.462 -1.211 1.00 35.55 H new ATOM 0 HH22 ARG A 25 4.101 19.370 -0.390 1.00 35.55 H new ATOM 347 N LYS A 26 -0.749 13.462 -4.894 1.00 54.15 N ATOM 348 CA LYS A 26 -2.073 13.752 -5.432 1.00 22.40 C ATOM 349 C LYS A 26 -3.129 12.857 -4.789 1.00 4.14 C ATOM 350 O LYS A 26 -4.236 13.304 -4.489 1.00 63.10 O ATOM 351 CB LYS A 26 -2.083 13.558 -6.950 1.00 42.43 C ATOM 352 CG LYS A 26 -0.792 13.988 -7.625 1.00 43.25 C ATOM 353 CD LYS A 26 -1.044 15.039 -8.693 1.00 51.32 C ATOM 354 CE LYS A 26 0.083 15.077 -9.715 1.00 75.52 C ATOM 355 NZ LYS A 26 -0.430 14.966 -11.109 1.00 10.02 N ATOM 0 H LYS A 26 -0.216 12.778 -5.431 1.00 54.15 H new ATOM 0 HA LYS A 26 -2.312 14.790 -5.202 1.00 22.40 H new ATOM 0 HB2 LYS A 26 -2.267 12.507 -7.173 1.00 42.43 H new ATOM 0 HB3 LYS A 26 -2.912 14.124 -7.375 1.00 42.43 H new ATOM 0 HG2 LYS A 26 -0.105 14.385 -6.878 1.00 43.25 H new ATOM 0 HG3 LYS A 26 -0.309 13.120 -8.074 1.00 43.25 H new ATOM 0 HD2 LYS A 26 -1.987 14.828 -9.197 1.00 51.32 H new ATOM 0 HD3 LYS A 26 -1.145 16.018 -8.225 1.00 51.32 H new ATOM 0 HE2 LYS A 26 0.641 16.007 -9.606 1.00 75.52 H new ATOM 0 HE3 LYS A 26 0.780 14.262 -9.518 1.00 75.52 H new ATOM 0 HZ1 LYS A 26 0.368 14.996 -11.776 1.00 10.02 H new ATOM 0 HZ2 LYS A 26 -0.941 14.067 -11.220 1.00 10.02 H new ATOM 0 HZ3 LYS A 26 -1.075 15.758 -11.306 1.00 10.02 H new ATOM 369 N PHE A 27 -2.779 11.593 -4.578 1.00 3.32 N ATOM 370 CA PHE A 27 -3.696 10.637 -3.970 1.00 30.03 C ATOM 371 C PHE A 27 -4.090 11.079 -2.564 1.00 2.05 C ATOM 372 O PHE A 27 -5.122 10.665 -2.038 1.00 12.20 O ATOM 373 CB PHE A 27 -3.057 9.247 -3.919 1.00 32.44 C ATOM 374 CG PHE A 27 -4.053 8.136 -3.748 1.00 32.12 C ATOM 375 CD1 PHE A 27 -4.984 7.863 -4.738 1.00 51.51 C ATOM 376 CD2 PHE A 27 -4.059 7.363 -2.597 1.00 43.43 C ATOM 377 CE1 PHE A 27 -5.902 6.842 -4.583 1.00 2.12 C ATOM 378 CE2 PHE A 27 -4.974 6.340 -2.436 1.00 41.45 C ATOM 379 CZ PHE A 27 -5.896 6.079 -3.431 1.00 74.22 C ATOM 0 H PHE A 27 -1.866 11.207 -4.819 1.00 3.32 H new ATOM 0 HA PHE A 27 -4.596 10.594 -4.584 1.00 30.03 H new ATOM 0 HB2 PHE A 27 -2.493 9.081 -4.837 1.00 32.44 H new ATOM 0 HB3 PHE A 27 -2.343 9.214 -3.096 1.00 32.44 H new ATOM 0 HD1 PHE A 27 -4.992 8.455 -5.641 1.00 51.51 H new ATOM 0 HD2 PHE A 27 -3.340 7.563 -1.817 1.00 43.43 H new ATOM 0 HE1 PHE A 27 -6.623 6.641 -5.361 1.00 2.12 H new ATOM 0 HE2 PHE A 27 -4.968 5.746 -1.534 1.00 41.45 H new ATOM 0 HZ PHE A 27 -6.611 5.279 -3.309 1.00 74.22 H new ATOM 389 N ARG A 28 -3.259 11.924 -1.961 1.00 63.23 N ATOM 390 CA ARG A 28 -3.519 12.422 -0.616 1.00 63.40 C ATOM 391 C ARG A 28 -4.453 13.627 -0.654 1.00 2.41 C ATOM 392 O ARG A 28 -5.268 13.823 0.247 1.00 20.35 O ATOM 393 CB ARG A 28 -2.206 12.801 0.073 1.00 54.53 C ATOM 394 CG ARG A 28 -1.107 11.766 -0.099 1.00 43.15 C ATOM 395 CD ARG A 28 -0.410 11.469 1.219 1.00 40.21 C ATOM 396 NE ARG A 28 0.141 12.675 1.831 1.00 64.03 N ATOM 397 CZ ARG A 28 0.351 12.808 3.135 1.00 32.54 C ATOM 398 NH1 ARG A 28 0.056 11.814 3.962 1.00 64.01 N ATOM 399 NH2 ARG A 28 0.857 13.937 3.616 1.00 61.21 N ATOM 0 H ARG A 28 -2.400 12.278 -2.383 1.00 63.23 H new ATOM 0 HA ARG A 28 -4.003 11.627 -0.048 1.00 63.40 H new ATOM 0 HB2 ARG A 28 -1.860 13.755 -0.324 1.00 54.53 H new ATOM 0 HB3 ARG A 28 -2.393 12.947 1.137 1.00 54.53 H new ATOM 0 HG2 ARG A 28 -1.531 10.847 -0.503 1.00 43.15 H new ATOM 0 HG3 ARG A 28 -0.377 12.126 -0.825 1.00 43.15 H new ATOM 0 HD2 ARG A 28 -1.117 11.004 1.906 1.00 40.21 H new ATOM 0 HD3 ARG A 28 0.391 10.749 1.051 1.00 40.21 H new ATOM 0 HE ARG A 28 0.378 13.459 1.223 1.00 64.03 H new ATOM 0 HH11 ARG A 28 -0.333 10.945 3.596 1.00 64.01 H new ATOM 0 HH12 ARG A 28 0.218 11.919 4.964 1.00 64.01 H new ATOM 0 HH21 ARG A 28 1.085 14.704 2.983 1.00 61.21 H new ATOM 0 HH22 ARG A 28 1.018 14.038 4.618 1.00 61.21 H new ATOM 413 N PHE A 29 -4.328 14.435 -1.702 1.00 63.42 N ATOM 414 CA PHE A 29 -5.159 15.622 -1.857 1.00 20.31 C ATOM 415 C PHE A 29 -5.947 15.568 -3.163 1.00 31.42 C ATOM 416 O PHE A 29 -6.071 16.569 -3.868 1.00 10.20 O ATOM 417 CB PHE A 29 -4.295 16.884 -1.823 1.00 24.34 C ATOM 418 CG PHE A 29 -3.009 16.709 -1.066 1.00 2.22 C ATOM 419 CD1 PHE A 29 -3.001 16.110 0.183 1.00 31.23 C ATOM 420 CD2 PHE A 29 -1.809 17.145 -1.604 1.00 21.10 C ATOM 421 CE1 PHE A 29 -1.819 15.947 0.881 1.00 35.42 C ATOM 422 CE2 PHE A 29 -0.624 16.985 -0.910 1.00 32.10 C ATOM 423 CZ PHE A 29 -0.629 16.386 0.335 1.00 51.24 C ATOM 0 H PHE A 29 -3.658 14.288 -2.457 1.00 63.42 H new ATOM 0 HA PHE A 29 -5.865 15.651 -1.027 1.00 20.31 H new ATOM 0 HB2 PHE A 29 -4.068 17.187 -2.845 1.00 24.34 H new ATOM 0 HB3 PHE A 29 -4.867 17.694 -1.370 1.00 24.34 H new ATOM 0 HD1 PHE A 29 -3.929 15.766 0.616 1.00 31.23 H new ATOM 0 HD2 PHE A 29 -1.799 17.615 -2.576 1.00 21.10 H new ATOM 0 HE1 PHE A 29 -1.826 15.476 1.853 1.00 35.42 H new ATOM 0 HE2 PHE A 29 0.305 17.328 -1.341 1.00 32.10 H new ATOM 0 HZ PHE A 29 0.295 16.261 0.880 1.00 51.24 H new ATOM 433 N ARG A 30 -6.479 14.391 -3.477 1.00 45.33 N ATOM 434 CA ARG A 30 -7.253 14.204 -4.699 1.00 14.43 C ATOM 435 C ARG A 30 -8.745 14.385 -4.429 1.00 21.33 C ATOM 436 O ARG A 30 -9.151 14.704 -3.311 1.00 40.34 O ATOM 437 CB ARG A 30 -6.995 12.815 -5.285 1.00 13.12 C ATOM 438 CG ARG A 30 -7.109 11.693 -4.266 1.00 1.04 C ATOM 439 CD ARG A 30 -7.030 10.327 -4.930 1.00 53.21 C ATOM 440 NE ARG A 30 -8.346 9.709 -5.069 1.00 54.40 N ATOM 441 CZ ARG A 30 -8.938 9.016 -4.103 1.00 2.53 C ATOM 442 NH1 ARG A 30 -8.335 8.854 -2.933 1.00 62.12 N ATOM 443 NH2 ARG A 30 -10.137 8.485 -4.305 1.00 71.21 N ATOM 0 H ARG A 30 -6.388 13.553 -2.903 1.00 45.33 H new ATOM 0 HA ARG A 30 -6.936 14.958 -5.419 1.00 14.43 H new ATOM 0 HB2 ARG A 30 -7.704 12.634 -6.093 1.00 13.12 H new ATOM 0 HB3 ARG A 30 -5.998 12.795 -5.725 1.00 13.12 H new ATOM 0 HG2 ARG A 30 -6.312 11.787 -3.529 1.00 1.04 H new ATOM 0 HG3 ARG A 30 -8.053 11.783 -3.728 1.00 1.04 H new ATOM 0 HD2 ARG A 30 -6.571 10.428 -5.914 1.00 53.21 H new ATOM 0 HD3 ARG A 30 -6.384 9.675 -4.342 1.00 53.21 H new ATOM 0 HE ARG A 30 -8.837 9.815 -5.957 1.00 54.40 H new ATOM 0 HH11 ARG A 30 -7.414 9.262 -2.773 1.00 62.12 H new ATOM 0 HH12 ARG A 30 -8.792 8.321 -2.193 1.00 62.12 H new ATOM 0 HH21 ARG A 30 -10.605 8.609 -5.203 1.00 71.21 H new ATOM 0 HH22 ARG A 30 -10.591 7.953 -3.562 1.00 71.21 H new ATOM 457 N LYS A 31 -9.556 14.179 -5.460 1.00 41.43 N ATOM 458 CA LYS A 31 -11.002 14.318 -5.336 1.00 54.55 C ATOM 459 C LYS A 31 -11.557 13.338 -4.307 1.00 44.34 C ATOM 460 O LYS A 31 -12.703 13.461 -3.877 1.00 23.44 O ATOM 461 CB LYS A 31 -11.676 14.087 -6.691 1.00 64.32 C ATOM 462 CG LYS A 31 -11.419 15.197 -7.696 1.00 35.23 C ATOM 463 CD LYS A 31 -10.045 15.069 -8.330 1.00 43.02 C ATOM 464 CE LYS A 31 -9.928 15.922 -9.584 1.00 24.35 C ATOM 465 NZ LYS A 31 -8.826 15.456 -10.471 1.00 4.10 N ATOM 0 H LYS A 31 -9.236 13.915 -6.392 1.00 41.43 H new ATOM 0 HA LYS A 31 -11.216 15.332 -4.999 1.00 54.55 H new ATOM 0 HB2 LYS A 31 -11.323 13.143 -7.107 1.00 64.32 H new ATOM 0 HB3 LYS A 31 -12.751 13.987 -6.540 1.00 64.32 H new ATOM 0 HG2 LYS A 31 -12.183 15.169 -8.473 1.00 35.23 H new ATOM 0 HG3 LYS A 31 -11.503 16.164 -7.200 1.00 35.23 H new ATOM 0 HD2 LYS A 31 -9.282 15.370 -7.612 1.00 43.02 H new ATOM 0 HD3 LYS A 31 -9.854 14.025 -8.580 1.00 43.02 H new ATOM 0 HE2 LYS A 31 -10.870 15.895 -10.131 1.00 24.35 H new ATOM 0 HE3 LYS A 31 -9.753 16.960 -9.302 1.00 24.35 H new ATOM 0 HZ1 LYS A 31 -8.779 16.063 -11.314 1.00 4.10 H new ATOM 0 HZ2 LYS A 31 -7.923 15.506 -9.958 1.00 4.10 H new ATOM 0 HZ3 LYS A 31 -9.006 14.474 -10.761 1.00 4.10 H new ATOM 479 N GLU A 32 -10.735 12.368 -3.918 1.00 11.34 N ATOM 480 CA GLU A 32 -11.146 11.369 -2.938 1.00 45.24 C ATOM 481 C GLU A 32 -12.632 11.054 -3.072 1.00 75.32 C ATOM 482 O GLU A 32 -13.140 10.853 -4.177 1.00 2.31 O ATOM 483 CB GLU A 32 -10.842 11.858 -1.520 1.00 15.51 C ATOM 484 CG GLU A 32 -9.427 12.383 -1.346 1.00 21.31 C ATOM 485 CD GLU A 32 -9.349 13.533 -0.361 1.00 62.25 C ATOM 486 OE1 GLU A 32 -10.192 13.584 0.559 1.00 43.23 O ATOM 487 OE2 GLU A 32 -8.444 14.381 -0.510 1.00 15.10 O ATOM 0 H GLU A 32 -9.783 12.253 -4.265 1.00 11.34 H new ATOM 0 HA GLU A 32 -10.581 10.457 -3.129 1.00 45.24 H new ATOM 0 HB2 GLU A 32 -11.548 12.646 -1.258 1.00 15.51 H new ATOM 0 HB3 GLU A 32 -11.005 11.039 -0.820 1.00 15.51 H new ATOM 0 HG2 GLU A 32 -8.782 11.573 -1.005 1.00 21.31 H new ATOM 0 HG3 GLU A 32 -9.043 12.710 -2.312 1.00 21.31 H new ATOM 494 N THR A 33 -13.327 11.009 -1.940 1.00 42.51 N ATOM 495 CA THR A 33 -14.754 10.717 -1.929 1.00 54.44 C ATOM 496 C THR A 33 -15.063 9.452 -2.723 1.00 44.22 C ATOM 497 O THR A 33 -16.208 9.205 -3.094 1.00 53.24 O ATOM 498 CB THR A 33 -15.572 11.886 -2.511 1.00 13.12 C ATOM 499 OG1 THR A 33 -15.608 11.796 -3.940 1.00 4.25 O ATOM 500 CG2 THR A 33 -14.975 13.222 -2.096 1.00 53.02 C ATOM 0 H THR A 33 -12.923 11.171 -1.017 1.00 42.51 H new ATOM 0 HA THR A 33 -15.037 10.568 -0.887 1.00 54.44 H new ATOM 0 HB THR A 33 -16.587 11.822 -2.119 1.00 13.12 H new ATOM 0 HG1 THR A 33 -14.699 11.670 -4.283 1.00 4.25 H new ATOM 0 HG21 THR A 33 -15.569 14.033 -2.518 1.00 53.02 H new ATOM 0 HG22 THR A 33 -14.977 13.299 -1.009 1.00 53.02 H new ATOM 0 HG23 THR A 33 -13.951 13.293 -2.463 1.00 53.02 H new ATOM 508 N ASN A 34 -14.031 8.654 -2.979 1.00 44.32 N ATOM 509 CA ASN A 34 -14.191 7.414 -3.730 1.00 52.42 C ATOM 510 C ASN A 34 -13.078 6.426 -3.393 1.00 14.42 C ATOM 511 O ASN A 34 -11.899 6.711 -3.596 1.00 54.23 O ATOM 512 CB ASN A 34 -14.197 7.701 -5.233 1.00 31.21 C ATOM 513 CG ASN A 34 -12.801 7.912 -5.786 1.00 31.40 C ATOM 514 OD1 ASN A 34 -12.090 6.817 -6.033 1.00 35.01 O flip ATOM 515 ND2 ASN A 34 -12.366 9.046 -5.990 1.00 54.11 N flip ATOM 0 H ASN A 34 -13.075 8.844 -2.677 1.00 44.32 H new ATOM 0 HA ASN A 34 -15.145 6.968 -3.448 1.00 52.42 H new ATOM 0 HB2 ASN A 34 -14.671 6.871 -5.757 1.00 31.21 H new ATOM 0 HB3 ASN A 34 -14.800 8.587 -5.429 1.00 31.21 H new ATOM 0 HD21 ASN A 34 -12.947 9.859 -5.786 1.00 54.11 H new ATOM 0 HD22 ASN A 34 -11.425 9.172 -6.363 1.00 54.11 H new ATOM 522 N ASN A 35 -13.464 5.264 -2.877 1.00 5.13 N ATOM 523 CA ASN A 35 -12.499 4.233 -2.511 1.00 43.11 C ATOM 524 C ASN A 35 -11.594 3.893 -3.691 1.00 70.40 C ATOM 525 O ASN A 35 -12.065 3.469 -4.746 1.00 12.32 O ATOM 526 CB ASN A 35 -13.224 2.974 -2.030 1.00 61.12 C ATOM 527 CG ASN A 35 -13.819 3.143 -0.646 1.00 21.04 C ATOM 528 OD1 ASN A 35 -13.495 4.092 0.069 1.00 14.33 O ATOM 529 ND2 ASN A 35 -14.694 2.221 -0.261 1.00 2.40 N ATOM 0 H ASN A 35 -14.437 5.012 -2.703 1.00 5.13 H new ATOM 0 HA ASN A 35 -11.881 4.620 -1.701 1.00 43.11 H new ATOM 0 HB2 ASN A 35 -14.016 2.723 -2.735 1.00 61.12 H new ATOM 0 HB3 ASN A 35 -12.526 2.137 -2.023 1.00 61.12 H new ATOM 0 HD21 ASN A 35 -15.127 2.282 0.660 1.00 2.40 H new ATOM 0 HD22 ASN A 35 -14.933 1.452 -0.887 1.00 2.40 H new ATOM 536 N ALA A 36 -10.291 4.080 -3.504 1.00 73.32 N ATOM 537 CA ALA A 36 -9.319 3.790 -4.551 1.00 34.40 C ATOM 538 C ALA A 36 -8.064 3.149 -3.972 1.00 4.44 C ATOM 539 O ALA A 36 -7.797 3.254 -2.775 1.00 1.04 O ATOM 540 CB ALA A 36 -8.965 5.061 -5.308 1.00 72.21 C ATOM 0 H ALA A 36 -9.885 4.431 -2.637 1.00 73.32 H new ATOM 0 HA ALA A 36 -9.769 3.081 -5.245 1.00 34.40 H new ATOM 0 HB1 ALA A 36 -8.238 4.830 -6.087 1.00 72.21 H new ATOM 0 HB2 ALA A 36 -9.864 5.476 -5.762 1.00 72.21 H new ATOM 0 HB3 ALA A 36 -8.538 5.789 -4.618 1.00 72.21 H new ATOM 546 N ALA A 37 -7.294 2.484 -4.829 1.00 14.52 N ATOM 547 CA ALA A 37 -6.065 1.828 -4.402 1.00 1.10 C ATOM 548 C ALA A 37 -4.967 1.984 -5.449 1.00 10.41 C ATOM 549 O ALA A 37 -5.233 1.952 -6.650 1.00 12.31 O ATOM 550 CB ALA A 37 -6.323 0.356 -4.121 1.00 71.41 C ATOM 0 H ALA A 37 -7.501 2.386 -5.823 1.00 14.52 H new ATOM 0 HA ALA A 37 -5.726 2.308 -3.484 1.00 1.10 H new ATOM 0 HB1 ALA A 37 -5.396 -0.122 -3.803 1.00 71.41 H new ATOM 0 HB2 ALA A 37 -7.069 0.262 -3.332 1.00 71.41 H new ATOM 0 HB3 ALA A 37 -6.689 -0.129 -5.026 1.00 71.41 H new ATOM 556 N ILE A 38 -3.733 2.155 -4.984 1.00 54.12 N ATOM 557 CA ILE A 38 -2.596 2.315 -5.881 1.00 4.43 C ATOM 558 C ILE A 38 -1.531 1.258 -5.613 1.00 53.15 C ATOM 559 O ILE A 38 -0.810 1.327 -4.617 1.00 71.23 O ATOM 560 CB ILE A 38 -1.963 3.712 -5.742 1.00 2.42 C ATOM 561 CG1 ILE A 38 -3.028 4.798 -5.907 1.00 74.02 C ATOM 562 CG2 ILE A 38 -0.850 3.894 -6.763 1.00 51.21 C ATOM 563 CD1 ILE A 38 -2.454 6.171 -6.177 1.00 51.25 C ATOM 0 H ILE A 38 -3.496 2.186 -3.992 1.00 54.12 H new ATOM 0 HA ILE A 38 -2.975 2.195 -6.896 1.00 4.43 H new ATOM 0 HB ILE A 38 -1.532 3.801 -4.745 1.00 2.42 H new ATOM 0 HG12 ILE A 38 -3.692 4.523 -6.727 1.00 74.02 H new ATOM 0 HG13 ILE A 38 -3.637 4.839 -5.004 1.00 74.02 H new ATOM 0 HG21 ILE A 38 -0.413 4.886 -6.652 1.00 51.21 H new ATOM 0 HG22 ILE A 38 -0.081 3.139 -6.602 1.00 51.21 H new ATOM 0 HG23 ILE A 38 -1.258 3.788 -7.768 1.00 51.21 H new ATOM 0 HD11 ILE A 38 -3.266 6.890 -6.283 1.00 51.25 H new ATOM 0 HD12 ILE A 38 -1.813 6.467 -5.347 1.00 51.25 H new ATOM 0 HD13 ILE A 38 -1.869 6.146 -7.096 1.00 51.25 H new ATOM 575 N ILE A 39 -1.436 0.281 -6.509 1.00 53.51 N ATOM 576 CA ILE A 39 -0.457 -0.789 -6.371 1.00 33.31 C ATOM 577 C ILE A 39 0.864 -0.416 -7.037 1.00 15.34 C ATOM 578 O ILE A 39 0.934 -0.265 -8.256 1.00 63.34 O ATOM 579 CB ILE A 39 -0.972 -2.106 -6.982 1.00 31.33 C ATOM 580 CG1 ILE A 39 -2.354 -2.447 -6.421 1.00 51.41 C ATOM 581 CG2 ILE A 39 0.009 -3.236 -6.710 1.00 23.53 C ATOM 582 CD1 ILE A 39 -3.323 -2.952 -7.467 1.00 23.51 C ATOM 0 H ILE A 39 -2.026 0.209 -7.338 1.00 53.51 H new ATOM 0 HA ILE A 39 -0.295 -0.932 -5.303 1.00 33.31 H new ATOM 0 HB ILE A 39 -1.059 -1.979 -8.061 1.00 31.33 H new ATOM 0 HG12 ILE A 39 -2.245 -3.203 -5.643 1.00 51.41 H new ATOM 0 HG13 ILE A 39 -2.774 -1.560 -5.947 1.00 51.41 H new ATOM 0 HG21 ILE A 39 -0.369 -4.160 -7.148 1.00 23.53 H new ATOM 0 HG22 ILE A 39 0.975 -2.994 -7.153 1.00 23.53 H new ATOM 0 HG23 ILE A 39 0.125 -3.366 -5.634 1.00 23.53 H new ATOM 0 HD11 ILE A 39 -4.282 -3.174 -6.998 1.00 23.51 H new ATOM 0 HD12 ILE A 39 -3.462 -2.189 -8.233 1.00 23.51 H new ATOM 0 HD13 ILE A 39 -2.925 -3.858 -7.925 1.00 23.51 H new ATOM 594 N MET A 40 1.907 -0.270 -6.227 1.00 4.32 N ATOM 595 CA MET A 40 3.227 0.083 -6.738 1.00 53.40 C ATOM 596 C MET A 40 4.192 -1.091 -6.608 1.00 0.54 C ATOM 597 O MET A 40 4.059 -1.920 -5.707 1.00 11.01 O ATOM 598 CB MET A 40 3.778 1.298 -5.991 1.00 43.52 C ATOM 599 CG MET A 40 2.740 2.379 -5.738 1.00 52.32 C ATOM 600 SD MET A 40 3.008 3.251 -4.183 1.00 3.30 S ATOM 601 CE MET A 40 1.620 2.657 -3.219 1.00 4.12 C ATOM 0 H MET A 40 1.864 -0.390 -5.215 1.00 4.32 H new ATOM 0 HA MET A 40 3.126 0.331 -7.795 1.00 53.40 H new ATOM 0 HB2 MET A 40 4.190 0.971 -5.036 1.00 43.52 H new ATOM 0 HB3 MET A 40 4.601 1.724 -6.564 1.00 43.52 H new ATOM 0 HG2 MET A 40 2.760 3.095 -6.559 1.00 52.32 H new ATOM 0 HG3 MET A 40 1.747 1.929 -5.731 1.00 52.32 H new ATOM 0 HE1 MET A 40 1.866 2.707 -2.158 1.00 4.12 H new ATOM 0 HE2 MET A 40 0.746 3.277 -3.419 1.00 4.12 H new ATOM 0 HE3 MET A 40 1.402 1.625 -3.493 1.00 4.12 H new ATOM 611 N LYS A 41 5.164 -1.154 -7.511 1.00 33.34 N ATOM 612 CA LYS A 41 6.153 -2.226 -7.496 1.00 32.23 C ATOM 613 C LYS A 41 7.566 -1.663 -7.605 1.00 44.40 C ATOM 614 O LYS A 41 7.755 -0.458 -7.769 1.00 14.51 O ATOM 615 CB LYS A 41 5.892 -3.205 -8.643 1.00 44.23 C ATOM 616 CG LYS A 41 6.327 -2.679 -10.001 1.00 11.15 C ATOM 617 CD LYS A 41 6.525 -3.808 -10.998 1.00 73.43 C ATOM 618 CE LYS A 41 6.213 -3.359 -12.417 1.00 74.13 C ATOM 619 NZ LYS A 41 6.154 -4.509 -13.362 1.00 53.23 N ATOM 0 H LYS A 41 5.289 -0.476 -8.263 1.00 33.34 H new ATOM 0 HA LYS A 41 6.064 -2.756 -6.548 1.00 32.23 H new ATOM 0 HB2 LYS A 41 6.416 -4.139 -8.439 1.00 44.23 H new ATOM 0 HB3 LYS A 41 4.828 -3.438 -8.676 1.00 44.23 H new ATOM 0 HG2 LYS A 41 5.578 -1.984 -10.380 1.00 11.15 H new ATOM 0 HG3 LYS A 41 7.256 -2.119 -9.895 1.00 11.15 H new ATOM 0 HD2 LYS A 41 7.554 -4.165 -10.946 1.00 73.43 H new ATOM 0 HD3 LYS A 41 5.883 -4.647 -10.731 1.00 73.43 H new ATOM 0 HE2 LYS A 41 5.260 -2.830 -12.429 1.00 74.13 H new ATOM 0 HE3 LYS A 41 6.974 -2.654 -12.750 1.00 74.13 H new ATOM 0 HZ1 LYS A 41 6.211 -4.158 -14.339 1.00 53.23 H new ATOM 0 HZ2 LYS A 41 6.951 -5.151 -13.177 1.00 53.23 H new ATOM 0 HZ3 LYS A 41 5.259 -5.021 -13.230 1.00 53.23 H new ATOM 633 N VAL A 42 8.558 -2.544 -7.515 1.00 13.01 N ATOM 634 CA VAL A 42 9.955 -2.135 -7.606 1.00 34.24 C ATOM 635 C VAL A 42 10.686 -2.915 -8.692 1.00 50.12 C ATOM 636 O VAL A 42 10.817 -4.137 -8.612 1.00 53.12 O ATOM 637 CB VAL A 42 10.687 -2.333 -6.265 1.00 31.51 C ATOM 638 CG1 VAL A 42 10.159 -3.566 -5.546 1.00 64.54 C ATOM 639 CG2 VAL A 42 12.188 -2.439 -6.489 1.00 10.55 C ATOM 0 H VAL A 42 8.420 -3.545 -7.379 1.00 13.01 H new ATOM 0 HA VAL A 42 9.958 -1.075 -7.860 1.00 34.24 H new ATOM 0 HB VAL A 42 10.497 -1.464 -5.635 1.00 31.51 H new ATOM 0 HG11 VAL A 42 10.687 -3.690 -4.601 1.00 64.54 H new ATOM 0 HG12 VAL A 42 9.093 -3.446 -5.353 1.00 64.54 H new ATOM 0 HG13 VAL A 42 10.318 -4.446 -6.169 1.00 64.54 H new ATOM 0 HG21 VAL A 42 12.690 -2.579 -5.531 1.00 10.55 H new ATOM 0 HG22 VAL A 42 12.400 -3.289 -7.137 1.00 10.55 H new ATOM 0 HG23 VAL A 42 12.551 -1.525 -6.959 1.00 10.55 H new ATOM 649 N ASP A 43 11.162 -2.201 -9.706 1.00 61.42 N ATOM 650 CA ASP A 43 11.882 -2.827 -10.809 1.00 24.32 C ATOM 651 C ASP A 43 13.327 -3.123 -10.416 1.00 51.55 C ATOM 652 O ASP A 43 14.091 -2.214 -10.088 1.00 63.33 O ATOM 653 CB ASP A 43 11.851 -1.924 -12.044 1.00 72.52 C ATOM 654 CG ASP A 43 10.547 -2.038 -12.810 1.00 23.30 C ATOM 655 OD1 ASP A 43 9.529 -2.416 -12.195 1.00 21.14 O ATOM 656 OD2 ASP A 43 10.546 -1.749 -14.025 1.00 21.31 O ATOM 0 H ASP A 43 11.062 -1.189 -9.787 1.00 61.42 H new ATOM 0 HA ASP A 43 11.388 -3.770 -11.045 1.00 24.32 H new ATOM 0 HB2 ASP A 43 12.000 -0.889 -11.738 1.00 72.52 H new ATOM 0 HB3 ASP A 43 12.680 -2.184 -12.702 1.00 72.52 H new ATOM 661 N LYS A 44 13.695 -4.398 -10.452 1.00 63.33 N ATOM 662 CA LYS A 44 15.048 -4.814 -10.101 1.00 31.30 C ATOM 663 C LYS A 44 16.058 -4.305 -11.124 1.00 14.51 C ATOM 664 O LYS A 44 17.243 -4.166 -10.824 1.00 22.04 O ATOM 665 CB LYS A 44 15.126 -6.341 -10.009 1.00 3.34 C ATOM 666 CG LYS A 44 16.258 -6.839 -9.127 1.00 35.24 C ATOM 667 CD LYS A 44 17.467 -7.249 -9.950 1.00 54.10 C ATOM 668 CE LYS A 44 18.586 -7.782 -9.069 1.00 21.55 C ATOM 669 NZ LYS A 44 19.873 -7.077 -9.319 1.00 50.21 N ATOM 0 H LYS A 44 13.075 -5.162 -10.721 1.00 63.33 H new ATOM 0 HA LYS A 44 15.293 -4.383 -9.130 1.00 31.30 H new ATOM 0 HB2 LYS A 44 14.181 -6.722 -9.623 1.00 3.34 H new ATOM 0 HB3 LYS A 44 15.250 -6.751 -11.011 1.00 3.34 H new ATOM 0 HG2 LYS A 44 16.544 -6.057 -8.424 1.00 35.24 H new ATOM 0 HG3 LYS A 44 15.914 -7.688 -8.536 1.00 35.24 H new ATOM 0 HD2 LYS A 44 17.175 -8.012 -10.671 1.00 54.10 H new ATOM 0 HD3 LYS A 44 17.828 -6.393 -10.520 1.00 54.10 H new ATOM 0 HE2 LYS A 44 18.308 -7.669 -8.021 1.00 21.55 H new ATOM 0 HE3 LYS A 44 18.715 -8.849 -9.252 1.00 21.55 H new ATOM 0 HZ1 LYS A 44 20.610 -7.470 -8.699 1.00 50.21 H new ATOM 0 HZ2 LYS A 44 20.152 -7.205 -10.313 1.00 50.21 H new ATOM 0 HZ3 LYS A 44 19.758 -6.063 -9.120 1.00 50.21 H new ATOM 683 N ASP A 45 15.580 -4.024 -12.332 1.00 33.42 N ATOM 684 CA ASP A 45 16.440 -3.526 -13.398 1.00 24.20 C ATOM 685 C ASP A 45 16.847 -2.080 -13.137 1.00 44.02 C ATOM 686 O ASP A 45 17.978 -1.682 -13.419 1.00 52.33 O ATOM 687 CB ASP A 45 15.729 -3.634 -14.748 1.00 41.34 C ATOM 688 CG ASP A 45 16.384 -4.645 -15.668 1.00 75.22 C ATOM 689 OD1 ASP A 45 17.626 -4.769 -15.627 1.00 51.00 O ATOM 690 OD2 ASP A 45 15.653 -5.313 -16.429 1.00 64.24 O ATOM 0 H ASP A 45 14.601 -4.133 -12.597 1.00 33.42 H new ATOM 0 HA ASP A 45 17.341 -4.139 -13.421 1.00 24.20 H new ATOM 0 HB2 ASP A 45 14.688 -3.915 -14.586 1.00 41.34 H new ATOM 0 HB3 ASP A 45 15.723 -2.657 -15.232 1.00 41.34 H new ATOM 695 N ARG A 46 15.919 -1.298 -12.596 1.00 41.33 N ATOM 696 CA ARG A 46 16.180 0.106 -12.300 1.00 23.11 C ATOM 697 C ARG A 46 16.222 0.344 -10.793 1.00 43.02 C ATOM 698 O ARG A 46 16.395 1.474 -10.339 1.00 3.44 O ATOM 699 CB ARG A 46 15.110 0.992 -12.938 1.00 34.03 C ATOM 700 CG ARG A 46 14.911 0.736 -14.422 1.00 40.14 C ATOM 701 CD ARG A 46 13.659 1.423 -14.944 1.00 34.52 C ATOM 702 NE ARG A 46 13.962 2.693 -15.597 1.00 61.33 N ATOM 703 CZ ARG A 46 13.098 3.350 -16.363 1.00 3.03 C ATOM 704 NH1 ARG A 46 11.884 2.860 -16.569 1.00 15.24 N ATOM 705 NH2 ARG A 46 13.449 4.500 -16.923 1.00 52.35 N ATOM 0 H ARG A 46 14.979 -1.613 -12.354 1.00 41.33 H new ATOM 0 HA ARG A 46 17.152 0.365 -12.719 1.00 23.11 H new ATOM 0 HB2 ARG A 46 14.164 0.833 -12.421 1.00 34.03 H new ATOM 0 HB3 ARG A 46 15.382 2.037 -12.792 1.00 34.03 H new ATOM 0 HG2 ARG A 46 15.780 1.094 -14.974 1.00 40.14 H new ATOM 0 HG3 ARG A 46 14.840 -0.337 -14.601 1.00 40.14 H new ATOM 0 HD2 ARG A 46 13.152 0.765 -15.650 1.00 34.52 H new ATOM 0 HD3 ARG A 46 12.970 1.596 -14.118 1.00 34.52 H new ATOM 0 HE ARG A 46 14.888 3.098 -15.458 1.00 61.33 H new ATOM 0 HH11 ARG A 46 11.611 1.976 -16.139 1.00 15.24 H new ATOM 0 HH12 ARG A 46 11.223 3.367 -17.158 1.00 15.24 H new ATOM 0 HH21 ARG A 46 14.382 4.880 -16.766 1.00 52.35 H new ATOM 0 HH22 ARG A 46 12.786 5.004 -17.511 1.00 52.35 H new ATOM 719 N GLN A 47 16.063 -0.729 -10.024 1.00 55.24 N ATOM 720 CA GLN A 47 16.081 -0.636 -8.570 1.00 15.53 C ATOM 721 C GLN A 47 15.342 0.611 -8.095 1.00 41.40 C ATOM 722 O GLN A 47 15.894 1.428 -7.359 1.00 42.23 O ATOM 723 CB GLN A 47 17.521 -0.616 -8.057 1.00 63.24 C ATOM 724 CG GLN A 47 18.393 -1.713 -8.647 1.00 60.42 C ATOM 725 CD GLN A 47 18.747 -2.785 -7.635 1.00 54.22 C ATOM 726 OE1 GLN A 47 19.806 -2.737 -7.008 1.00 15.01 O ATOM 727 NE2 GLN A 47 17.860 -3.761 -7.471 1.00 1.51 N ATOM 0 H GLN A 47 15.920 -1.672 -10.385 1.00 55.24 H new ATOM 0 HA GLN A 47 15.572 -1.513 -8.169 1.00 15.53 H new ATOM 0 HB2 GLN A 47 17.966 0.352 -8.286 1.00 63.24 H new ATOM 0 HB3 GLN A 47 17.512 -0.715 -6.972 1.00 63.24 H new ATOM 0 HG2 GLN A 47 17.874 -2.171 -9.489 1.00 60.42 H new ATOM 0 HG3 GLN A 47 19.309 -1.272 -9.039 1.00 60.42 H new ATOM 0 HE21 GLN A 47 16.995 -3.761 -8.012 1.00 1.51 H new ATOM 0 HE22 GLN A 47 18.044 -4.510 -6.804 1.00 1.51 H new ATOM 736 N MET A 48 14.091 0.750 -8.522 1.00 0.33 N ATOM 737 CA MET A 48 13.278 1.899 -8.138 1.00 74.11 C ATOM 738 C MET A 48 11.808 1.507 -8.016 1.00 64.22 C ATOM 739 O MET A 48 11.349 0.570 -8.671 1.00 54.32 O ATOM 740 CB MET A 48 13.433 3.025 -9.161 1.00 53.34 C ATOM 741 CG MET A 48 12.366 3.016 -10.244 1.00 64.25 C ATOM 742 SD MET A 48 12.955 3.695 -11.807 1.00 5.21 S ATOM 743 CE MET A 48 13.437 5.344 -11.299 1.00 11.44 C ATOM 0 H MET A 48 13.619 0.083 -9.133 1.00 0.33 H new ATOM 0 HA MET A 48 13.625 2.250 -7.166 1.00 74.11 H new ATOM 0 HB2 MET A 48 13.403 3.983 -8.642 1.00 53.34 H new ATOM 0 HB3 MET A 48 14.414 2.947 -9.629 1.00 53.34 H new ATOM 0 HG2 MET A 48 12.024 1.993 -10.403 1.00 64.25 H new ATOM 0 HG3 MET A 48 11.505 3.591 -9.904 1.00 64.25 H new ATOM 0 HE1 MET A 48 13.196 6.054 -12.090 1.00 11.44 H new ATOM 0 HE2 MET A 48 12.899 5.617 -10.391 1.00 11.44 H new ATOM 0 HE3 MET A 48 14.510 5.366 -11.106 1.00 11.44 H new ATOM 753 N VAL A 49 11.075 2.228 -7.174 1.00 10.52 N ATOM 754 CA VAL A 49 9.658 1.956 -6.968 1.00 33.24 C ATOM 755 C VAL A 49 8.804 2.663 -8.013 1.00 52.24 C ATOM 756 O VAL A 49 8.622 3.880 -7.963 1.00 50.41 O ATOM 757 CB VAL A 49 9.201 2.397 -5.564 1.00 51.24 C ATOM 758 CG1 VAL A 49 7.831 1.819 -5.243 1.00 0.14 C ATOM 759 CG2 VAL A 49 10.223 1.982 -4.516 1.00 41.03 C ATOM 0 H VAL A 49 11.439 3.005 -6.623 1.00 10.52 H new ATOM 0 HA VAL A 49 9.526 0.878 -7.064 1.00 33.24 H new ATOM 0 HB VAL A 49 9.123 3.484 -5.551 1.00 51.24 H new ATOM 0 HG11 VAL A 49 7.524 2.141 -4.248 1.00 0.14 H new ATOM 0 HG12 VAL A 49 7.106 2.171 -5.977 1.00 0.14 H new ATOM 0 HG13 VAL A 49 7.879 0.730 -5.273 1.00 0.14 H new ATOM 0 HG21 VAL A 49 9.884 2.302 -3.531 1.00 41.03 H new ATOM 0 HG22 VAL A 49 10.336 0.898 -4.527 1.00 41.03 H new ATOM 0 HG23 VAL A 49 11.182 2.449 -4.739 1.00 41.03 H new ATOM 769 N VAL A 50 8.281 1.892 -8.962 1.00 5.52 N ATOM 770 CA VAL A 50 7.444 2.445 -10.020 1.00 63.44 C ATOM 771 C VAL A 50 6.025 1.895 -9.942 1.00 12.43 C ATOM 772 O VAL A 50 5.821 0.700 -9.719 1.00 51.33 O ATOM 773 CB VAL A 50 8.026 2.137 -11.414 1.00 12.53 C ATOM 774 CG1 VAL A 50 9.419 2.733 -11.555 1.00 13.24 C ATOM 775 CG2 VAL A 50 8.052 0.637 -11.661 1.00 31.25 C ATOM 0 H VAL A 50 8.422 0.883 -9.019 1.00 5.52 H new ATOM 0 HA VAL A 50 7.421 3.525 -9.874 1.00 63.44 H new ATOM 0 HB VAL A 50 7.383 2.595 -12.166 1.00 12.53 H new ATOM 0 HG11 VAL A 50 9.814 2.505 -12.545 1.00 13.24 H new ATOM 0 HG12 VAL A 50 9.367 3.814 -11.425 1.00 13.24 H new ATOM 0 HG13 VAL A 50 10.075 2.307 -10.796 1.00 13.24 H new ATOM 0 HG21 VAL A 50 8.466 0.438 -12.650 1.00 31.25 H new ATOM 0 HG22 VAL A 50 8.671 0.154 -10.905 1.00 31.25 H new ATOM 0 HG23 VAL A 50 7.038 0.242 -11.606 1.00 31.25 H new ATOM 785 N LEU A 51 5.045 2.773 -10.127 1.00 23.11 N ATOM 786 CA LEU A 51 3.643 2.376 -10.077 1.00 53.24 C ATOM 787 C LEU A 51 3.408 1.105 -10.888 1.00 52.12 C ATOM 788 O LEU A 51 4.043 0.888 -11.919 1.00 5.33 O ATOM 789 CB LEU A 51 2.753 3.503 -10.607 1.00 3.04 C ATOM 790 CG LEU A 51 1.302 3.494 -10.128 1.00 35.21 C ATOM 791 CD1 LEU A 51 0.794 4.915 -9.936 1.00 64.23 C ATOM 792 CD2 LEU A 51 0.420 2.739 -11.112 1.00 23.40 C ATOM 0 H LEU A 51 5.196 3.764 -10.313 1.00 23.11 H new ATOM 0 HA LEU A 51 3.385 2.176 -9.037 1.00 53.24 H new ATOM 0 HB2 LEU A 51 3.201 4.456 -10.326 1.00 3.04 H new ATOM 0 HB3 LEU A 51 2.755 3.459 -11.696 1.00 3.04 H new ATOM 0 HG LEU A 51 1.260 2.982 -9.167 1.00 35.21 H new ATOM 0 HD11 LEU A 51 -0.241 4.888 -9.595 1.00 64.23 H new ATOM 0 HD12 LEU A 51 1.408 5.424 -9.193 1.00 64.23 H new ATOM 0 HD13 LEU A 51 0.850 5.452 -10.883 1.00 64.23 H new ATOM 0 HD21 LEU A 51 -0.610 2.743 -10.755 1.00 23.40 H new ATOM 0 HD22 LEU A 51 0.467 3.222 -12.088 1.00 23.40 H new ATOM 0 HD23 LEU A 51 0.770 1.710 -11.199 1.00 23.40 H new ATOM 804 N GLU A 52 2.488 0.268 -10.415 1.00 1.50 N ATOM 805 CA GLU A 52 2.169 -0.980 -11.097 1.00 1.54 C ATOM 806 C GLU A 52 0.737 -0.962 -11.623 1.00 53.05 C ATOM 807 O GLU A 52 0.462 -1.439 -12.724 1.00 31.32 O ATOM 808 CB GLU A 52 2.362 -2.167 -10.151 1.00 55.21 C ATOM 809 CG GLU A 52 2.080 -3.513 -10.799 1.00 2.13 C ATOM 810 CD GLU A 52 2.907 -3.744 -12.048 1.00 40.43 C ATOM 811 OE1 GLU A 52 2.714 -3.002 -13.034 1.00 23.34 O ATOM 812 OE2 GLU A 52 3.748 -4.667 -12.039 1.00 71.14 O ATOM 0 H GLU A 52 1.952 0.432 -9.563 1.00 1.50 H new ATOM 0 HA GLU A 52 2.847 -1.085 -11.944 1.00 1.54 H new ATOM 0 HB2 GLU A 52 3.386 -2.160 -9.777 1.00 55.21 H new ATOM 0 HB3 GLU A 52 1.707 -2.044 -9.288 1.00 55.21 H new ATOM 0 HG2 GLU A 52 2.284 -4.307 -10.081 1.00 2.13 H new ATOM 0 HG3 GLU A 52 1.022 -3.576 -11.052 1.00 2.13 H new ATOM 819 N ASP A 53 -0.172 -0.408 -10.828 1.00 52.32 N ATOM 820 CA ASP A 53 -1.577 -0.327 -11.212 1.00 1.31 C ATOM 821 C ASP A 53 -2.318 0.692 -10.351 1.00 62.31 C ATOM 822 O ASP A 53 -1.849 1.068 -9.278 1.00 53.31 O ATOM 823 CB ASP A 53 -2.242 -1.698 -11.088 1.00 62.20 C ATOM 824 CG ASP A 53 -2.095 -2.529 -12.348 1.00 1.21 C ATOM 825 OD1 ASP A 53 -2.066 -1.938 -13.447 1.00 24.20 O ATOM 826 OD2 ASP A 53 -2.010 -3.770 -12.233 1.00 72.21 O ATOM 0 H ASP A 53 0.039 -0.008 -9.914 1.00 52.32 H new ATOM 0 HA ASP A 53 -1.626 -0.002 -12.251 1.00 1.31 H new ATOM 0 HB2 ASP A 53 -1.804 -2.237 -10.248 1.00 62.20 H new ATOM 0 HB3 ASP A 53 -3.301 -1.566 -10.865 1.00 62.20 H new ATOM 831 N GLU A 54 -3.475 1.135 -10.832 1.00 30.43 N ATOM 832 CA GLU A 54 -4.279 2.111 -10.106 1.00 31.33 C ATOM 833 C GLU A 54 -5.768 1.869 -10.338 1.00 1.41 C ATOM 834 O GLU A 54 -6.276 2.066 -11.443 1.00 22.14 O ATOM 835 CB GLU A 54 -3.908 3.531 -10.536 1.00 71.24 C ATOM 836 CG GLU A 54 -2.906 4.205 -9.615 1.00 50.21 C ATOM 837 CD GLU A 54 -2.861 5.709 -9.802 1.00 14.04 C ATOM 838 OE1 GLU A 54 -3.745 6.402 -9.255 1.00 0.31 O ATOM 839 OE2 GLU A 54 -1.941 6.193 -10.493 1.00 74.23 O ATOM 0 H GLU A 54 -3.876 0.834 -11.720 1.00 30.43 H new ATOM 0 HA GLU A 54 -4.072 1.996 -9.042 1.00 31.33 H new ATOM 0 HB2 GLU A 54 -3.497 3.500 -11.545 1.00 71.24 H new ATOM 0 HB3 GLU A 54 -4.813 4.136 -10.579 1.00 71.24 H new ATOM 0 HG2 GLU A 54 -3.161 3.979 -8.580 1.00 50.21 H new ATOM 0 HG3 GLU A 54 -1.915 3.790 -9.797 1.00 50.21 H new ATOM 846 N LEU A 55 -6.462 1.442 -9.288 1.00 54.14 N ATOM 847 CA LEU A 55 -7.894 1.172 -9.376 1.00 41.42 C ATOM 848 C LEU A 55 -8.687 2.167 -8.535 1.00 0.12 C ATOM 849 O LEU A 55 -8.325 2.458 -7.396 1.00 30.03 O ATOM 850 CB LEU A 55 -8.193 -0.255 -8.916 1.00 70.04 C ATOM 851 CG LEU A 55 -7.337 -1.355 -9.543 1.00 65.43 C ATOM 852 CD1 LEU A 55 -7.433 -2.637 -8.728 1.00 54.32 C ATOM 853 CD2 LEU A 55 -7.757 -1.604 -10.984 1.00 70.13 C ATOM 0 H LEU A 55 -6.057 1.275 -8.367 1.00 54.14 H new ATOM 0 HA LEU A 55 -8.197 1.282 -10.417 1.00 41.42 H new ATOM 0 HB2 LEU A 55 -8.071 -0.300 -7.834 1.00 70.04 H new ATOM 0 HB3 LEU A 55 -9.240 -0.472 -9.128 1.00 70.04 H new ATOM 0 HG LEU A 55 -6.298 -1.024 -9.541 1.00 65.43 H new ATOM 0 HD11 LEU A 55 -6.817 -3.409 -9.190 1.00 54.32 H new ATOM 0 HD12 LEU A 55 -7.081 -2.450 -7.713 1.00 54.32 H new ATOM 0 HD13 LEU A 55 -8.470 -2.971 -8.696 1.00 54.32 H new ATOM 0 HD21 LEU A 55 -7.136 -2.390 -11.413 1.00 70.13 H new ATOM 0 HD22 LEU A 55 -8.802 -1.912 -11.010 1.00 70.13 H new ATOM 0 HD23 LEU A 55 -7.634 -0.688 -11.562 1.00 70.13 H new ATOM 865 N GLN A 56 -9.772 2.683 -9.104 1.00 44.24 N ATOM 866 CA GLN A 56 -10.618 3.644 -8.406 1.00 24.43 C ATOM 867 C GLN A 56 -12.002 3.060 -8.143 1.00 51.15 C ATOM 868 O GLN A 56 -12.435 2.133 -8.826 1.00 43.11 O ATOM 869 CB GLN A 56 -10.739 4.934 -9.219 1.00 14.03 C ATOM 870 CG GLN A 56 -9.424 5.677 -9.382 1.00 40.11 C ATOM 871 CD GLN A 56 -8.528 5.052 -10.434 1.00 11.34 C ATOM 872 OE1 GLN A 56 -7.414 4.476 -9.997 1.00 32.11 O flip ATOM 873 NE2 GLN A 56 -8.833 5.086 -11.626 1.00 1.35 N flip ATOM 0 H GLN A 56 -10.086 2.452 -10.047 1.00 44.24 H new ATOM 0 HA GLN A 56 -10.153 3.871 -7.447 1.00 24.43 H new ATOM 0 HB2 GLN A 56 -11.136 4.696 -10.206 1.00 14.03 H new ATOM 0 HB3 GLN A 56 -11.461 5.592 -8.735 1.00 14.03 H new ATOM 0 HG2 GLN A 56 -9.627 6.713 -9.652 1.00 40.11 H new ATOM 0 HG3 GLN A 56 -8.899 5.694 -8.427 1.00 40.11 H new ATOM 0 HE21 GLN A 56 -9.699 5.539 -11.918 1.00 1.35 H new ATOM 0 HE22 GLN A 56 -8.220 4.661 -12.322 1.00 1.35 H new ATOM 882 N ASN A 57 -12.692 3.611 -7.149 1.00 71.15 N ATOM 883 CA ASN A 57 -14.028 3.144 -6.797 1.00 63.41 C ATOM 884 C ASN A 57 -14.038 1.633 -6.587 1.00 14.53 C ATOM 885 O ASN A 57 -14.837 0.918 -7.193 1.00 62.01 O ATOM 886 CB ASN A 57 -15.029 3.526 -7.889 1.00 0.21 C ATOM 887 CG ASN A 57 -14.348 3.956 -9.173 1.00 64.13 C ATOM 888 OD1 ASN A 57 -13.775 5.155 -9.166 1.00 51.31 O flip ATOM 889 ND2 ASN A 57 -14.336 3.219 -10.160 1.00 71.22 N flip ATOM 0 H ASN A 57 -12.348 4.380 -6.574 1.00 71.15 H new ATOM 0 HA ASN A 57 -14.320 3.624 -5.863 1.00 63.41 H new ATOM 0 HB2 ASN A 57 -15.681 2.677 -8.094 1.00 0.21 H new ATOM 0 HB3 ASN A 57 -15.664 4.336 -7.529 1.00 0.21 H new ATOM 0 HD21 ASN A 57 -14.789 2.306 -10.120 1.00 71.22 H new ATOM 0 HD22 ASN A 57 -13.873 3.522 -11.017 1.00 71.22 H new ATOM 896 N ILE A 58 -13.148 1.155 -5.724 1.00 43.01 N ATOM 897 CA ILE A 58 -13.056 -0.270 -5.434 1.00 34.21 C ATOM 898 C ILE A 58 -13.097 -0.529 -3.931 1.00 71.32 C ATOM 899 O ILE A 58 -12.492 0.204 -3.148 1.00 55.04 O ATOM 900 CB ILE A 58 -11.766 -0.882 -6.013 1.00 13.03 C ATOM 901 CG1 ILE A 58 -11.119 -1.821 -4.994 1.00 62.40 C ATOM 902 CG2 ILE A 58 -10.796 0.217 -6.419 1.00 72.03 C ATOM 903 CD1 ILE A 58 -10.376 -1.099 -3.893 1.00 21.34 C ATOM 0 H ILE A 58 -12.481 1.734 -5.214 1.00 43.01 H new ATOM 0 HA ILE A 58 -13.917 -0.743 -5.907 1.00 34.21 H new ATOM 0 HB ILE A 58 -12.022 -1.461 -6.900 1.00 13.03 H new ATOM 0 HG12 ILE A 58 -11.891 -2.448 -4.549 1.00 62.40 H new ATOM 0 HG13 ILE A 58 -10.428 -2.486 -5.512 1.00 62.40 H new ATOM 0 HG21 ILE A 58 -9.889 -0.230 -6.826 1.00 72.03 H new ATOM 0 HG22 ILE A 58 -11.260 0.850 -7.175 1.00 72.03 H new ATOM 0 HG23 ILE A 58 -10.543 0.820 -5.547 1.00 72.03 H new ATOM 0 HD11 ILE A 58 -9.943 -1.828 -3.208 1.00 21.34 H new ATOM 0 HD12 ILE A 58 -9.581 -0.493 -4.327 1.00 21.34 H new ATOM 0 HD13 ILE A 58 -11.067 -0.455 -3.349 1.00 21.34 H new ATOM 915 N SER A 59 -13.813 -1.577 -3.536 1.00 10.34 N ATOM 916 CA SER A 59 -13.935 -1.931 -2.126 1.00 62.21 C ATOM 917 C SER A 59 -12.719 -2.725 -1.659 1.00 62.11 C ATOM 918 O SER A 59 -11.888 -3.164 -2.455 1.00 55.54 O ATOM 919 CB SER A 59 -15.210 -2.744 -1.892 1.00 4.52 C ATOM 920 OG SER A 59 -16.178 -1.983 -1.189 1.00 24.30 O ATOM 0 H SER A 59 -14.317 -2.195 -4.172 1.00 10.34 H new ATOM 0 HA SER A 59 -13.989 -1.009 -1.548 1.00 62.21 H new ATOM 0 HB2 SER A 59 -15.621 -3.066 -2.849 1.00 4.52 H new ATOM 0 HB3 SER A 59 -14.972 -3.646 -1.328 1.00 4.52 H new ATOM 0 HG SER A 59 -16.984 -2.524 -1.053 1.00 24.30 H new ATOM 926 N PRO A 60 -12.610 -2.914 -0.335 1.00 61.04 N ATOM 927 CA PRO A 60 -11.499 -3.655 0.269 1.00 22.13 C ATOM 928 C PRO A 60 -11.564 -5.148 -0.038 1.00 45.01 C ATOM 929 O PRO A 60 -10.720 -5.921 0.415 1.00 4.52 O ATOM 930 CB PRO A 60 -11.684 -3.410 1.769 1.00 43.44 C ATOM 931 CG PRO A 60 -13.136 -3.125 1.930 1.00 54.22 C ATOM 932 CD PRO A 60 -13.562 -2.419 0.672 1.00 12.15 C ATOM 0 HA PRO A 60 -10.533 -3.327 -0.115 1.00 22.13 H new ATOM 0 HB2 PRO A 60 -11.385 -4.281 2.352 1.00 43.44 H new ATOM 0 HB3 PRO A 60 -11.076 -2.573 2.111 1.00 43.44 H new ATOM 0 HG2 PRO A 60 -13.701 -4.046 2.071 1.00 54.22 H new ATOM 0 HG3 PRO A 60 -13.317 -2.503 2.807 1.00 54.22 H new ATOM 0 HD2 PRO A 60 -14.591 -2.660 0.405 1.00 12.15 H new ATOM 0 HD3 PRO A 60 -13.506 -1.336 0.780 1.00 12.15 H new ATOM 940 N GLU A 61 -12.570 -5.546 -0.809 1.00 51.33 N ATOM 941 CA GLU A 61 -12.742 -6.947 -1.176 1.00 55.04 C ATOM 942 C GLU A 61 -12.243 -7.203 -2.595 1.00 23.55 C ATOM 943 O GLU A 61 -11.835 -8.316 -2.927 1.00 23.01 O ATOM 944 CB GLU A 61 -14.215 -7.348 -1.063 1.00 34.03 C ATOM 945 CG GLU A 61 -14.527 -8.177 0.173 1.00 45.51 C ATOM 946 CD GLU A 61 -15.769 -9.029 0.005 1.00 3.55 C ATOM 947 OE1 GLU A 61 -16.885 -8.485 0.141 1.00 51.25 O ATOM 948 OE2 GLU A 61 -15.625 -10.240 -0.260 1.00 31.45 O ATOM 0 H GLU A 61 -13.278 -4.919 -1.192 1.00 51.33 H new ATOM 0 HA GLU A 61 -12.153 -7.552 -0.487 1.00 55.04 H new ATOM 0 HB2 GLU A 61 -14.828 -6.447 -1.050 1.00 34.03 H new ATOM 0 HB3 GLU A 61 -14.498 -7.914 -1.951 1.00 34.03 H new ATOM 0 HG2 GLU A 61 -13.677 -8.821 0.398 1.00 45.51 H new ATOM 0 HG3 GLU A 61 -14.659 -7.513 1.027 1.00 45.51 H new ATOM 955 N GLU A 62 -12.278 -6.167 -3.425 1.00 63.34 N ATOM 956 CA GLU A 62 -11.829 -6.281 -4.809 1.00 10.03 C ATOM 957 C GLU A 62 -10.310 -6.160 -4.899 1.00 54.41 C ATOM 958 O GLU A 62 -9.661 -6.896 -5.644 1.00 23.14 O ATOM 959 CB GLU A 62 -12.490 -5.206 -5.673 1.00 75.34 C ATOM 960 CG GLU A 62 -13.858 -5.605 -6.200 1.00 74.44 C ATOM 961 CD GLU A 62 -13.775 -6.581 -7.358 1.00 12.02 C ATOM 962 OE1 GLU A 62 -13.280 -7.708 -7.149 1.00 21.33 O ATOM 963 OE2 GLU A 62 -14.205 -6.217 -8.472 1.00 73.43 O ATOM 0 H GLU A 62 -12.612 -5.239 -3.165 1.00 63.34 H new ATOM 0 HA GLU A 62 -12.121 -7.264 -5.180 1.00 10.03 H new ATOM 0 HB2 GLU A 62 -12.588 -4.291 -5.088 1.00 75.34 H new ATOM 0 HB3 GLU A 62 -11.838 -4.977 -6.516 1.00 75.34 H new ATOM 0 HG2 GLU A 62 -14.438 -6.053 -5.393 1.00 74.44 H new ATOM 0 HG3 GLU A 62 -14.395 -4.712 -6.520 1.00 74.44 H new ATOM 970 N LEU A 63 -9.752 -5.226 -4.139 1.00 5.25 N ATOM 971 CA LEU A 63 -8.309 -5.007 -4.132 1.00 1.23 C ATOM 972 C LEU A 63 -7.562 -6.305 -3.841 1.00 3.31 C ATOM 973 O LEU A 63 -6.684 -6.712 -4.603 1.00 32.51 O ATOM 974 CB LEU A 63 -7.939 -3.948 -3.092 1.00 3.11 C ATOM 975 CG LEU A 63 -6.935 -2.885 -3.544 1.00 73.41 C ATOM 976 CD1 LEU A 63 -6.216 -2.286 -2.344 1.00 75.53 C ATOM 977 CD2 LEU A 63 -5.935 -3.480 -4.525 1.00 11.02 C ATOM 0 H LEU A 63 -10.276 -4.608 -3.519 1.00 5.25 H new ATOM 0 HA LEU A 63 -8.015 -4.655 -5.121 1.00 1.23 H new ATOM 0 HB2 LEU A 63 -8.852 -3.445 -2.774 1.00 3.11 H new ATOM 0 HB3 LEU A 63 -7.533 -4.454 -2.216 1.00 3.11 H new ATOM 0 HG LEU A 63 -7.480 -2.088 -4.050 1.00 73.41 H new ATOM 0 HD11 LEU A 63 -5.506 -1.532 -2.684 1.00 75.53 H new ATOM 0 HD12 LEU A 63 -6.944 -1.824 -1.677 1.00 75.53 H new ATOM 0 HD13 LEU A 63 -5.682 -3.072 -1.810 1.00 75.53 H new ATOM 0 HD21 LEU A 63 -5.229 -2.710 -4.836 1.00 11.02 H new ATOM 0 HD22 LEU A 63 -5.395 -4.295 -4.044 1.00 11.02 H new ATOM 0 HD23 LEU A 63 -6.465 -3.861 -5.398 1.00 11.02 H new ATOM 989 N LYS A 64 -7.917 -6.950 -2.735 1.00 71.04 N ATOM 990 CA LYS A 64 -7.284 -8.204 -2.344 1.00 40.13 C ATOM 991 C LYS A 64 -7.236 -9.179 -3.517 1.00 41.21 C ATOM 992 O LYS A 64 -6.200 -9.786 -3.792 1.00 41.20 O ATOM 993 CB LYS A 64 -8.038 -8.837 -1.173 1.00 5.42 C ATOM 994 CG LYS A 64 -8.326 -10.315 -1.362 1.00 30.00 C ATOM 995 CD LYS A 64 -8.603 -11.004 -0.036 1.00 0.01 C ATOM 996 CE LYS A 64 -9.982 -11.645 -0.018 1.00 63.00 C ATOM 997 NZ LYS A 64 -10.546 -11.710 1.359 1.00 43.32 N ATOM 0 H LYS A 64 -8.640 -6.625 -2.093 1.00 71.04 H new ATOM 0 HA LYS A 64 -6.262 -7.984 -2.034 1.00 40.13 H new ATOM 0 HB2 LYS A 64 -7.455 -8.703 -0.262 1.00 5.42 H new ATOM 0 HB3 LYS A 64 -8.980 -8.307 -1.030 1.00 5.42 H new ATOM 0 HG2 LYS A 64 -9.184 -10.438 -2.023 1.00 30.00 H new ATOM 0 HG3 LYS A 64 -7.477 -10.792 -1.851 1.00 30.00 H new ATOM 0 HD2 LYS A 64 -7.844 -11.765 0.145 1.00 0.01 H new ATOM 0 HD3 LYS A 64 -8.527 -10.279 0.775 1.00 0.01 H new ATOM 0 HE2 LYS A 64 -10.655 -11.076 -0.660 1.00 63.00 H new ATOM 0 HE3 LYS A 64 -9.920 -12.651 -0.433 1.00 63.00 H new ATOM 0 HZ1 LYS A 64 -11.486 -12.153 1.328 1.00 43.32 H new ATOM 0 HZ2 LYS A 64 -9.917 -12.274 1.966 1.00 43.32 H new ATOM 0 HZ3 LYS A 64 -10.629 -10.748 1.746 1.00 43.32 H new ATOM 1011 N LEU A 65 -8.363 -9.323 -4.206 1.00 62.10 N ATOM 1012 CA LEU A 65 -8.449 -10.223 -5.351 1.00 21.43 C ATOM 1013 C LEU A 65 -7.526 -9.764 -6.476 1.00 15.31 C ATOM 1014 O LEU A 65 -6.994 -10.581 -7.226 1.00 22.43 O ATOM 1015 CB LEU A 65 -9.891 -10.298 -5.858 1.00 63.21 C ATOM 1016 CG LEU A 65 -10.950 -10.663 -4.817 1.00 64.54 C ATOM 1017 CD1 LEU A 65 -12.345 -10.525 -5.405 1.00 53.21 C ATOM 1018 CD2 LEU A 65 -10.724 -12.076 -4.299 1.00 61.01 C ATOM 0 H LEU A 65 -9.229 -8.829 -3.992 1.00 62.10 H new ATOM 0 HA LEU A 65 -8.131 -11.214 -5.027 1.00 21.43 H new ATOM 0 HB2 LEU A 65 -10.153 -9.333 -6.291 1.00 63.21 H new ATOM 0 HB3 LEU A 65 -9.934 -11.031 -6.664 1.00 63.21 H new ATOM 0 HG LEU A 65 -10.862 -9.972 -3.978 1.00 64.54 H new ATOM 0 HD11 LEU A 65 -13.086 -10.789 -4.650 1.00 53.21 H new ATOM 0 HD12 LEU A 65 -12.504 -9.496 -5.726 1.00 53.21 H new ATOM 0 HD13 LEU A 65 -12.446 -11.192 -6.261 1.00 53.21 H new ATOM 0 HD21 LEU A 65 -11.487 -12.319 -3.559 1.00 61.01 H new ATOM 0 HD22 LEU A 65 -10.785 -12.781 -5.128 1.00 61.01 H new ATOM 0 HD23 LEU A 65 -9.738 -12.141 -3.839 1.00 61.01 H new ATOM 1030 N GLU A 66 -7.341 -8.453 -6.584 1.00 2.42 N ATOM 1031 CA GLU A 66 -6.480 -7.886 -7.615 1.00 40.45 C ATOM 1032 C GLU A 66 -5.017 -8.228 -7.352 1.00 12.23 C ATOM 1033 O GLU A 66 -4.241 -8.447 -8.283 1.00 41.13 O ATOM 1034 CB GLU A 66 -6.657 -6.367 -7.682 1.00 35.04 C ATOM 1035 CG GLU A 66 -8.027 -5.935 -8.177 1.00 61.44 C ATOM 1036 CD GLU A 66 -8.228 -6.214 -9.654 1.00 12.11 C ATOM 1037 OE1 GLU A 66 -7.868 -5.346 -10.476 1.00 64.02 O ATOM 1038 OE2 GLU A 66 -8.746 -7.300 -9.988 1.00 32.04 O ATOM 0 H GLU A 66 -7.775 -7.763 -5.971 1.00 2.42 H new ATOM 0 HA GLU A 66 -6.770 -8.320 -8.572 1.00 40.45 H new ATOM 0 HB2 GLU A 66 -6.489 -5.946 -6.691 1.00 35.04 H new ATOM 0 HB3 GLU A 66 -5.894 -5.949 -8.339 1.00 35.04 H new ATOM 0 HG2 GLU A 66 -8.796 -6.454 -7.605 1.00 61.44 H new ATOM 0 HG3 GLU A 66 -8.157 -4.869 -7.991 1.00 61.44 H new ATOM 1045 N LEU A 67 -4.646 -8.270 -6.078 1.00 31.43 N ATOM 1046 CA LEU A 67 -3.275 -8.584 -5.689 1.00 21.52 C ATOM 1047 C LEU A 67 -2.914 -10.015 -6.077 1.00 32.21 C ATOM 1048 O LEU A 67 -3.776 -10.883 -6.217 1.00 42.42 O ATOM 1049 CB LEU A 67 -3.094 -8.391 -4.183 1.00 3.40 C ATOM 1050 CG LEU A 67 -3.069 -6.944 -3.690 1.00 42.51 C ATOM 1051 CD1 LEU A 67 -3.223 -6.891 -2.178 1.00 71.41 C ATOM 1052 CD2 LEU A 67 -1.781 -6.256 -4.121 1.00 31.11 C ATOM 0 H LEU A 67 -5.275 -8.091 -5.296 1.00 31.43 H new ATOM 0 HA LEU A 67 -2.608 -7.904 -6.218 1.00 21.52 H new ATOM 0 HB2 LEU A 67 -3.901 -8.915 -3.670 1.00 3.40 H new ATOM 0 HB3 LEU A 67 -2.162 -8.872 -3.885 1.00 3.40 H new ATOM 0 HG LEU A 67 -3.909 -6.414 -4.138 1.00 42.51 H new ATOM 0 HD11 LEU A 67 -3.203 -5.853 -1.846 1.00 71.41 H new ATOM 0 HD12 LEU A 67 -4.172 -7.345 -1.893 1.00 71.41 H new ATOM 0 HD13 LEU A 67 -2.405 -7.438 -1.710 1.00 71.41 H new ATOM 0 HD21 LEU A 67 -1.780 -5.227 -3.762 1.00 31.11 H new ATOM 0 HD22 LEU A 67 -0.927 -6.787 -3.702 1.00 31.11 H new ATOM 0 HD23 LEU A 67 -1.713 -6.260 -5.209 1.00 31.11 H new ATOM 1064 N PRO A 68 -1.608 -10.268 -6.253 1.00 35.34 N ATOM 1065 CA PRO A 68 -1.103 -11.594 -6.624 1.00 22.02 C ATOM 1066 C PRO A 68 -1.248 -12.607 -5.494 1.00 34.24 C ATOM 1067 O PRO A 68 -1.892 -12.333 -4.482 1.00 11.22 O ATOM 1068 CB PRO A 68 0.376 -11.337 -6.925 1.00 53.21 C ATOM 1069 CG PRO A 68 0.719 -10.125 -6.132 1.00 4.31 C ATOM 1070 CD PRO A 68 -0.526 -9.282 -6.103 1.00 4.25 C ATOM 0 HA PRO A 68 -1.655 -12.022 -7.461 1.00 22.02 H new ATOM 0 HB2 PRO A 68 0.993 -12.188 -6.635 1.00 53.21 H new ATOM 0 HB3 PRO A 68 0.540 -11.173 -7.990 1.00 53.21 H new ATOM 0 HG2 PRO A 68 1.031 -10.394 -5.123 1.00 4.31 H new ATOM 0 HG3 PRO A 68 1.547 -9.582 -6.588 1.00 4.31 H new ATOM 0 HD2 PRO A 68 -0.614 -8.727 -5.169 1.00 4.25 H new ATOM 0 HD3 PRO A 68 -0.535 -8.550 -6.910 1.00 4.25 H new ATOM 1078 N GLU A 69 -0.645 -13.778 -5.673 1.00 33.31 N ATOM 1079 CA GLU A 69 -0.708 -14.832 -4.668 1.00 14.21 C ATOM 1080 C GLU A 69 0.604 -14.927 -3.895 1.00 44.00 C ATOM 1081 O GLU A 69 0.616 -15.248 -2.707 1.00 53.33 O ATOM 1082 CB GLU A 69 -1.025 -16.177 -5.325 1.00 2.24 C ATOM 1083 CG GLU A 69 0.011 -16.611 -6.349 1.00 33.43 C ATOM 1084 CD GLU A 69 -0.614 -17.070 -7.652 1.00 13.21 C ATOM 1085 OE1 GLU A 69 -1.659 -16.507 -8.040 1.00 11.41 O ATOM 1086 OE2 GLU A 69 -0.058 -17.992 -8.284 1.00 0.13 O ATOM 0 H GLU A 69 -0.107 -14.020 -6.505 1.00 33.31 H new ATOM 0 HA GLU A 69 -1.505 -14.582 -3.967 1.00 14.21 H new ATOM 0 HB2 GLU A 69 -1.102 -16.941 -4.551 1.00 2.24 H new ATOM 0 HB3 GLU A 69 -1.999 -16.115 -5.810 1.00 2.24 H new ATOM 0 HG2 GLU A 69 0.689 -15.781 -6.548 1.00 33.43 H new ATOM 0 HG3 GLU A 69 0.611 -17.420 -5.933 1.00 33.43 H new ATOM 1093 N ARG A 70 1.708 -14.645 -4.580 1.00 23.24 N ATOM 1094 CA ARG A 70 3.026 -14.701 -3.959 1.00 41.33 C ATOM 1095 C ARG A 70 3.958 -13.659 -4.571 1.00 4.51 C ATOM 1096 O ARG A 70 5.079 -13.973 -4.970 1.00 62.55 O ATOM 1097 CB ARG A 70 3.631 -16.097 -4.120 1.00 11.15 C ATOM 1098 CG ARG A 70 2.740 -17.211 -3.593 1.00 3.51 C ATOM 1099 CD ARG A 70 2.627 -17.163 -2.076 1.00 63.32 C ATOM 1100 NE ARG A 70 1.592 -18.063 -1.576 1.00 74.10 N ATOM 1101 CZ ARG A 70 1.002 -17.920 -0.394 1.00 72.05 C ATOM 1102 NH1 ARG A 70 1.345 -16.919 0.404 1.00 13.55 N ATOM 1103 NH2 ARG A 70 0.067 -18.780 -0.009 1.00 45.42 N ATOM 0 H ARG A 70 1.716 -14.376 -5.564 1.00 23.24 H new ATOM 0 HA ARG A 70 2.910 -14.483 -2.897 1.00 41.33 H new ATOM 0 HB2 ARG A 70 3.836 -16.276 -5.176 1.00 11.15 H new ATOM 0 HB3 ARG A 70 4.588 -16.131 -3.599 1.00 11.15 H new ATOM 0 HG2 ARG A 70 1.748 -17.125 -4.036 1.00 3.51 H new ATOM 0 HG3 ARG A 70 3.143 -18.176 -3.899 1.00 3.51 H new ATOM 0 HD2 ARG A 70 3.586 -17.431 -1.632 1.00 63.32 H new ATOM 0 HD3 ARG A 70 2.404 -16.144 -1.761 1.00 63.32 H new ATOM 0 HE ARG A 70 1.306 -18.844 -2.166 1.00 74.10 H new ATOM 0 HH11 ARG A 70 2.063 -16.256 0.111 1.00 13.55 H new ATOM 0 HH12 ARG A 70 0.891 -16.811 1.311 1.00 13.55 H new ATOM 0 HH21 ARG A 70 -0.199 -19.552 -0.621 1.00 45.42 H new ATOM 0 HH22 ARG A 70 -0.385 -18.669 0.899 1.00 45.42 H new ATOM 1117 N GLN A 71 3.487 -12.418 -4.639 1.00 51.33 N ATOM 1118 CA GLN A 71 4.278 -11.330 -5.202 1.00 12.04 C ATOM 1119 C GLN A 71 4.212 -10.093 -4.314 1.00 11.22 C ATOM 1120 O GLN A 71 3.173 -9.445 -4.186 1.00 1.14 O ATOM 1121 CB GLN A 71 3.786 -10.989 -6.610 1.00 30.23 C ATOM 1122 CG GLN A 71 4.581 -11.669 -7.713 1.00 13.23 C ATOM 1123 CD GLN A 71 3.730 -12.596 -8.559 1.00 22.34 C ATOM 1124 OE1 GLN A 71 3.027 -13.461 -8.035 1.00 33.11 O ATOM 1125 NE2 GLN A 71 3.790 -12.421 -9.873 1.00 73.35 N ATOM 0 H GLN A 71 2.562 -12.141 -4.311 1.00 51.33 H new ATOM 0 HA GLN A 71 5.315 -11.660 -5.257 1.00 12.04 H new ATOM 0 HB2 GLN A 71 2.738 -11.276 -6.699 1.00 30.23 H new ATOM 0 HB3 GLN A 71 3.834 -9.909 -6.751 1.00 30.23 H new ATOM 0 HG2 GLN A 71 5.030 -10.910 -8.353 1.00 13.23 H new ATOM 0 HG3 GLN A 71 5.399 -12.237 -7.269 1.00 13.23 H new ATOM 0 HE21 GLN A 71 4.386 -11.691 -10.264 1.00 73.35 H new ATOM 0 HE22 GLN A 71 3.240 -13.016 -10.492 1.00 73.35 H new ATOM 1134 N PRO A 72 5.347 -9.755 -3.683 1.00 43.34 N ATOM 1135 CA PRO A 72 5.444 -8.592 -2.796 1.00 73.14 C ATOM 1136 C PRO A 72 5.358 -7.273 -3.557 1.00 2.21 C ATOM 1137 O PRO A 72 5.979 -7.110 -4.608 1.00 5.15 O ATOM 1138 CB PRO A 72 6.824 -8.749 -2.154 1.00 62.21 C ATOM 1139 CG PRO A 72 7.608 -9.553 -3.133 1.00 63.23 C ATOM 1140 CD PRO A 72 6.624 -10.481 -3.789 1.00 54.35 C ATOM 0 HA PRO A 72 4.625 -8.559 -2.077 1.00 73.14 H new ATOM 0 HB2 PRO A 72 7.290 -7.780 -1.974 1.00 62.21 H new ATOM 0 HB3 PRO A 72 6.757 -9.254 -1.190 1.00 62.21 H new ATOM 0 HG2 PRO A 72 8.089 -8.910 -3.870 1.00 63.23 H new ATOM 0 HG3 PRO A 72 8.399 -10.113 -2.634 1.00 63.23 H new ATOM 0 HD2 PRO A 72 6.889 -10.678 -4.828 1.00 54.35 H new ATOM 0 HD3 PRO A 72 6.581 -11.445 -3.282 1.00 54.35 H new ATOM 1148 N ARG A 73 4.585 -6.335 -3.021 1.00 22.04 N ATOM 1149 CA ARG A 73 4.418 -5.030 -3.650 1.00 21.11 C ATOM 1150 C ARG A 73 3.729 -4.053 -2.701 1.00 73.42 C ATOM 1151 O ARG A 73 3.204 -4.448 -1.659 1.00 64.45 O ATOM 1152 CB ARG A 73 3.607 -5.163 -4.940 1.00 52.42 C ATOM 1153 CG ARG A 73 2.340 -5.987 -4.780 1.00 53.42 C ATOM 1154 CD ARG A 73 2.085 -6.860 -5.999 1.00 43.24 C ATOM 1155 NE ARG A 73 0.979 -6.358 -6.811 1.00 4.44 N ATOM 1156 CZ ARG A 73 0.802 -6.676 -8.088 1.00 62.45 C ATOM 1157 NH1 ARG A 73 1.653 -7.492 -8.696 1.00 23.32 N ATOM 1158 NH2 ARG A 73 -0.228 -6.180 -8.760 1.00 74.15 N ATOM 0 H ARG A 73 4.064 -6.454 -2.152 1.00 22.04 H new ATOM 0 HA ARG A 73 5.407 -4.640 -3.889 1.00 21.11 H new ATOM 0 HB2 ARG A 73 3.341 -4.168 -5.296 1.00 52.42 H new ATOM 0 HB3 ARG A 73 4.233 -5.619 -5.707 1.00 52.42 H new ATOM 0 HG2 ARG A 73 2.423 -6.615 -3.893 1.00 53.42 H new ATOM 0 HG3 ARG A 73 1.490 -5.323 -4.623 1.00 53.42 H new ATOM 0 HD2 ARG A 73 2.989 -6.907 -6.607 1.00 43.24 H new ATOM 0 HD3 ARG A 73 1.865 -7.878 -5.676 1.00 43.24 H new ATOM 0 HE ARG A 73 0.306 -5.729 -6.373 1.00 4.44 H new ATOM 0 HH11 ARG A 73 2.446 -7.877 -8.182 1.00 23.32 H new ATOM 0 HH12 ARG A 73 1.515 -7.735 -9.677 1.00 23.32 H new ATOM 0 HH21 ARG A 73 -0.886 -5.553 -8.296 1.00 74.15 H new ATOM 0 HH22 ARG A 73 -0.363 -6.425 -9.741 1.00 74.15 H new ATOM 1172 N PHE A 74 3.735 -2.776 -3.068 1.00 60.42 N ATOM 1173 CA PHE A 74 3.112 -1.743 -2.250 1.00 53.20 C ATOM 1174 C PHE A 74 1.697 -1.443 -2.737 1.00 22.43 C ATOM 1175 O PHE A 74 1.395 -1.574 -3.922 1.00 71.43 O ATOM 1176 CB PHE A 74 3.953 -0.464 -2.277 1.00 21.31 C ATOM 1177 CG PHE A 74 5.426 -0.714 -2.118 1.00 71.23 C ATOM 1178 CD1 PHE A 74 5.928 -1.255 -0.946 1.00 3.51 C ATOM 1179 CD2 PHE A 74 6.308 -0.407 -3.143 1.00 20.45 C ATOM 1180 CE1 PHE A 74 7.283 -1.483 -0.797 1.00 22.03 C ATOM 1181 CE2 PHE A 74 7.664 -0.635 -2.999 1.00 62.12 C ATOM 1182 CZ PHE A 74 8.152 -1.175 -1.825 1.00 1.30 C ATOM 0 H PHE A 74 4.165 -2.432 -3.927 1.00 60.42 H new ATOM 0 HA PHE A 74 3.055 -2.112 -1.226 1.00 53.20 H new ATOM 0 HB2 PHE A 74 3.780 0.056 -3.219 1.00 21.31 H new ATOM 0 HB3 PHE A 74 3.617 0.200 -1.481 1.00 21.31 H new ATOM 0 HD1 PHE A 74 5.253 -1.501 -0.140 1.00 3.51 H new ATOM 0 HD2 PHE A 74 5.932 0.015 -4.063 1.00 20.45 H new ATOM 0 HE1 PHE A 74 7.662 -1.902 0.123 1.00 22.03 H new ATOM 0 HE2 PHE A 74 8.341 -0.391 -3.804 1.00 62.12 H new ATOM 0 HZ PHE A 74 9.211 -1.356 -1.711 1.00 1.30 H new ATOM 1192 N VAL A 75 0.833 -1.039 -1.811 1.00 35.21 N ATOM 1193 CA VAL A 75 -0.551 -0.721 -2.144 1.00 13.11 C ATOM 1194 C VAL A 75 -1.124 0.312 -1.179 1.00 22.42 C ATOM 1195 O VAL A 75 -1.111 0.116 0.036 1.00 35.32 O ATOM 1196 CB VAL A 75 -1.439 -1.979 -2.118 1.00 41.31 C ATOM 1197 CG1 VAL A 75 -2.882 -1.620 -2.434 1.00 14.10 C ATOM 1198 CG2 VAL A 75 -0.914 -3.020 -3.096 1.00 3.32 C ATOM 0 H VAL A 75 1.067 -0.924 -0.825 1.00 35.21 H new ATOM 0 HA VAL A 75 -0.547 -0.310 -3.153 1.00 13.11 H new ATOM 0 HB VAL A 75 -1.407 -2.405 -1.115 1.00 41.31 H new ATOM 0 HG11 VAL A 75 -3.495 -2.521 -2.411 1.00 14.10 H new ATOM 0 HG12 VAL A 75 -3.251 -0.911 -1.693 1.00 14.10 H new ATOM 0 HG13 VAL A 75 -2.936 -1.170 -3.425 1.00 14.10 H new ATOM 0 HG21 VAL A 75 -1.553 -3.903 -3.065 1.00 3.32 H new ATOM 0 HG22 VAL A 75 -0.916 -2.606 -4.104 1.00 3.32 H new ATOM 0 HG23 VAL A 75 0.103 -3.298 -2.820 1.00 3.32 H new ATOM 1208 N VAL A 76 -1.627 1.412 -1.729 1.00 51.55 N ATOM 1209 CA VAL A 76 -2.207 2.476 -0.918 1.00 42.22 C ATOM 1210 C VAL A 76 -3.720 2.536 -1.093 1.00 11.44 C ATOM 1211 O VAL A 76 -4.221 3.059 -2.089 1.00 44.32 O ATOM 1212 CB VAL A 76 -1.604 3.848 -1.277 1.00 72.44 C ATOM 1213 CG1 VAL A 76 -2.412 4.968 -0.640 1.00 23.02 C ATOM 1214 CG2 VAL A 76 -0.147 3.917 -0.847 1.00 43.14 C ATOM 0 H VAL A 76 -1.645 1.590 -2.733 1.00 51.55 H new ATOM 0 HA VAL A 76 -1.973 2.246 0.121 1.00 42.22 H new ATOM 0 HB VAL A 76 -1.645 3.974 -2.359 1.00 72.44 H new ATOM 0 HG11 VAL A 76 -1.972 5.930 -0.904 1.00 23.02 H new ATOM 0 HG12 VAL A 76 -3.439 4.927 -1.002 1.00 23.02 H new ATOM 0 HG13 VAL A 76 -2.405 4.851 0.444 1.00 23.02 H new ATOM 0 HG21 VAL A 76 0.264 4.892 -1.108 1.00 43.14 H new ATOM 0 HG22 VAL A 76 -0.078 3.771 0.231 1.00 43.14 H new ATOM 0 HG23 VAL A 76 0.420 3.137 -1.355 1.00 43.14 H new ATOM 1224 N TYR A 77 -4.444 1.999 -0.118 1.00 12.25 N ATOM 1225 CA TYR A 77 -5.902 1.991 -0.164 1.00 13.14 C ATOM 1226 C TYR A 77 -6.477 3.204 0.561 1.00 0.21 C ATOM 1227 O TYR A 77 -6.002 3.585 1.631 1.00 62.10 O ATOM 1228 CB TYR A 77 -6.445 0.704 0.462 1.00 54.21 C ATOM 1229 CG TYR A 77 -7.921 0.487 0.213 1.00 44.03 C ATOM 1230 CD1 TYR A 77 -8.478 0.733 -1.035 1.00 53.32 C ATOM 1231 CD2 TYR A 77 -8.757 0.035 1.226 1.00 34.43 C ATOM 1232 CE1 TYR A 77 -9.826 0.537 -1.267 1.00 73.44 C ATOM 1233 CE2 TYR A 77 -10.105 -0.166 1.003 1.00 72.22 C ATOM 1234 CZ TYR A 77 -10.635 0.086 -0.245 1.00 60.14 C ATOM 1235 OH TYR A 77 -11.978 -0.111 -0.471 1.00 34.54 O ATOM 0 H TYR A 77 -4.046 1.563 0.714 1.00 12.25 H new ATOM 0 HA TYR A 77 -6.208 2.037 -1.209 1.00 13.14 H new ATOM 0 HB2 TYR A 77 -5.889 -0.146 0.066 1.00 54.21 H new ATOM 0 HB3 TYR A 77 -6.266 0.729 1.537 1.00 54.21 H new ATOM 0 HD1 TYR A 77 -7.847 1.084 -1.838 1.00 53.32 H new ATOM 0 HD2 TYR A 77 -8.346 -0.163 2.205 1.00 34.43 H new ATOM 0 HE1 TYR A 77 -10.244 0.736 -2.243 1.00 73.44 H new ATOM 0 HE2 TYR A 77 -10.741 -0.519 1.802 1.00 72.22 H new ATOM 0 HH TYR A 77 -12.178 0.054 -1.416 1.00 34.54 H new ATOM 1245 N SER A 78 -7.505 3.806 -0.030 1.00 64.44 N ATOM 1246 CA SER A 78 -8.144 4.978 0.556 1.00 3.03 C ATOM 1247 C SER A 78 -9.618 4.707 0.841 1.00 53.11 C ATOM 1248 O SER A 78 -10.466 4.828 -0.045 1.00 23.12 O ATOM 1249 CB SER A 78 -8.006 6.181 -0.378 1.00 70.22 C ATOM 1250 OG SER A 78 -8.414 7.376 0.265 1.00 43.22 O ATOM 0 H SER A 78 -7.913 3.501 -0.914 1.00 64.44 H new ATOM 0 HA SER A 78 -7.644 5.201 1.499 1.00 3.03 H new ATOM 0 HB2 SER A 78 -6.970 6.275 -0.704 1.00 70.22 H new ATOM 0 HB3 SER A 78 -8.608 6.022 -1.272 1.00 70.22 H new ATOM 0 HG SER A 78 -9.159 7.776 -0.230 1.00 43.22 H new ATOM 1256 N TYR A 79 -9.917 4.341 2.082 1.00 25.44 N ATOM 1257 CA TYR A 79 -11.288 4.049 2.484 1.00 41.40 C ATOM 1258 C TYR A 79 -12.001 5.317 2.946 1.00 64.31 C ATOM 1259 O TYR A 79 -11.366 6.276 3.386 1.00 23.11 O ATOM 1260 CB TYR A 79 -11.303 3.006 3.602 1.00 2.32 C ATOM 1261 CG TYR A 79 -12.669 2.796 4.216 1.00 62.41 C ATOM 1262 CD1 TYR A 79 -13.086 3.552 5.305 1.00 33.43 C ATOM 1263 CD2 TYR A 79 -13.541 1.842 3.708 1.00 70.43 C ATOM 1264 CE1 TYR A 79 -14.334 3.363 5.870 1.00 65.31 C ATOM 1265 CE2 TYR A 79 -14.790 1.647 4.265 1.00 73.11 C ATOM 1266 CZ TYR A 79 -15.181 2.409 5.345 1.00 14.14 C ATOM 1267 OH TYR A 79 -16.425 2.217 5.904 1.00 4.33 O ATOM 0 H TYR A 79 -9.228 4.239 2.828 1.00 25.44 H new ATOM 0 HA TYR A 79 -11.817 3.651 1.618 1.00 41.40 H new ATOM 0 HB2 TYR A 79 -10.942 2.057 3.207 1.00 2.32 H new ATOM 0 HB3 TYR A 79 -10.606 3.312 4.382 1.00 2.32 H new ATOM 0 HD1 TYR A 79 -12.424 4.300 5.717 1.00 33.43 H new ATOM 0 HD2 TYR A 79 -13.237 1.242 2.863 1.00 70.43 H new ATOM 0 HE1 TYR A 79 -14.643 3.958 6.716 1.00 65.31 H new ATOM 0 HE2 TYR A 79 -15.456 0.902 3.857 1.00 73.11 H new ATOM 0 HH TYR A 79 -16.983 1.696 5.290 1.00 4.33 H new ATOM 1277 N LYS A 80 -13.325 5.313 2.844 1.00 51.53 N ATOM 1278 CA LYS A 80 -14.127 6.461 3.252 1.00 73.30 C ATOM 1279 C LYS A 80 -14.871 6.170 4.551 1.00 32.14 C ATOM 1280 O LYS A 80 -15.825 5.391 4.571 1.00 5.33 O ATOM 1281 CB LYS A 80 -15.127 6.828 2.152 1.00 64.24 C ATOM 1282 CG LYS A 80 -16.130 7.889 2.571 1.00 73.41 C ATOM 1283 CD LYS A 80 -17.172 8.127 1.491 1.00 53.22 C ATOM 1284 CE LYS A 80 -18.583 8.089 2.059 1.00 5.34 C ATOM 1285 NZ LYS A 80 -19.328 6.880 1.614 1.00 42.32 N ATOM 0 H LYS A 80 -13.866 4.528 2.482 1.00 51.53 H new ATOM 0 HA LYS A 80 -13.454 7.302 3.419 1.00 73.30 H new ATOM 0 HB2 LYS A 80 -14.580 7.182 1.278 1.00 64.24 H new ATOM 0 HB3 LYS A 80 -15.666 5.930 1.848 1.00 64.24 H new ATOM 0 HG2 LYS A 80 -16.624 7.581 3.493 1.00 73.41 H new ATOM 0 HG3 LYS A 80 -15.607 8.821 2.785 1.00 73.41 H new ATOM 0 HD2 LYS A 80 -16.994 9.094 1.019 1.00 53.22 H new ATOM 0 HD3 LYS A 80 -17.071 7.370 0.714 1.00 53.22 H new ATOM 0 HE2 LYS A 80 -18.537 8.106 3.148 1.00 5.34 H new ATOM 0 HE3 LYS A 80 -19.124 8.983 1.749 1.00 5.34 H new ATOM 0 HZ1 LYS A 80 -20.284 6.892 2.022 1.00 42.32 H new ATOM 0 HZ2 LYS A 80 -19.395 6.876 0.576 1.00 42.32 H new ATOM 0 HZ3 LYS A 80 -18.826 6.026 1.932 1.00 42.32 H new ATOM 1299 N TYR A 81 -14.429 6.800 5.634 1.00 34.42 N ATOM 1300 CA TYR A 81 -15.053 6.608 6.938 1.00 73.21 C ATOM 1301 C TYR A 81 -15.993 7.763 7.268 1.00 31.23 C ATOM 1302 O TYR A 81 -15.631 8.931 7.133 1.00 1.34 O ATOM 1303 CB TYR A 81 -13.983 6.480 8.024 1.00 31.34 C ATOM 1304 CG TYR A 81 -14.309 5.443 9.076 1.00 50.22 C ATOM 1305 CD1 TYR A 81 -15.443 5.563 9.869 1.00 11.25 C ATOM 1306 CD2 TYR A 81 -13.482 4.345 9.276 1.00 54.12 C ATOM 1307 CE1 TYR A 81 -15.744 4.619 10.832 1.00 10.11 C ATOM 1308 CE2 TYR A 81 -13.776 3.395 10.235 1.00 10.51 C ATOM 1309 CZ TYR A 81 -14.908 3.536 11.010 1.00 23.12 C ATOM 1310 OH TYR A 81 -15.204 2.593 11.968 1.00 61.23 O ATOM 0 H TYR A 81 -13.641 7.448 5.635 1.00 34.42 H new ATOM 0 HA TYR A 81 -15.637 5.688 6.901 1.00 73.21 H new ATOM 0 HB2 TYR A 81 -13.032 6.225 7.557 1.00 31.34 H new ATOM 0 HB3 TYR A 81 -13.851 7.448 8.508 1.00 31.34 H new ATOM 0 HD1 TYR A 81 -16.101 6.408 9.731 1.00 11.25 H new ATOM 0 HD2 TYR A 81 -12.594 4.232 8.672 1.00 54.12 H new ATOM 0 HE1 TYR A 81 -16.629 4.728 11.442 1.00 10.11 H new ATOM 0 HE2 TYR A 81 -13.123 2.547 10.377 1.00 10.51 H new ATOM 0 HH TYR A 81 -14.516 1.895 11.964 1.00 61.23 H new ATOM 1320 N VAL A 82 -17.204 7.426 7.702 1.00 73.11 N ATOM 1321 CA VAL A 82 -18.197 8.434 8.053 1.00 51.00 C ATOM 1322 C VAL A 82 -18.305 8.595 9.565 1.00 21.25 C ATOM 1323 O VAL A 82 -18.123 7.637 10.318 1.00 40.11 O ATOM 1324 CB VAL A 82 -19.584 8.076 7.486 1.00 53.11 C ATOM 1325 CG1 VAL A 82 -20.497 9.294 7.500 1.00 30.44 C ATOM 1326 CG2 VAL A 82 -19.455 7.513 6.079 1.00 2.32 C ATOM 0 H VAL A 82 -17.520 6.463 7.819 1.00 73.11 H new ATOM 0 HA VAL A 82 -17.864 9.374 7.613 1.00 51.00 H new ATOM 0 HB VAL A 82 -20.030 7.310 8.120 1.00 53.11 H new ATOM 0 HG11 VAL A 82 -21.472 9.022 7.096 1.00 30.44 H new ATOM 0 HG12 VAL A 82 -20.614 9.649 8.524 1.00 30.44 H new ATOM 0 HG13 VAL A 82 -20.059 10.084 6.890 1.00 30.44 H new ATOM 0 HG21 VAL A 82 -20.444 7.266 5.694 1.00 2.32 H new ATOM 0 HG22 VAL A 82 -18.989 8.255 5.431 1.00 2.32 H new ATOM 0 HG23 VAL A 82 -18.839 6.614 6.102 1.00 2.32 H new ATOM 1336 N HIS A 83 -18.604 9.813 10.006 1.00 63.01 N ATOM 1337 CA HIS A 83 -18.738 10.100 11.430 1.00 42.22 C ATOM 1338 C HIS A 83 -20.127 9.723 11.931 1.00 33.24 C ATOM 1339 O HIS A 83 -20.340 8.614 12.424 1.00 1.54 O ATOM 1340 CB HIS A 83 -18.470 11.581 11.700 1.00 54.45 C ATOM 1341 CG HIS A 83 -17.033 11.970 11.541 1.00 63.32 C ATOM 1342 ND1 HIS A 83 -16.208 11.895 10.469 1.00 61.35 N flip ATOM 1343 CD2 HIS A 83 -16.280 12.506 12.564 1.00 33.51 C flip ATOM 1344 CE1 HIS A 83 -14.986 12.384 10.860 1.00 55.14 C flip ATOM 1345 NE2 HIS A 83 -15.055 12.746 12.129 1.00 35.11 N flip ATOM 0 H HIS A 83 -18.758 10.617 9.398 1.00 63.01 H new ATOM 0 HA HIS A 83 -18.003 9.501 11.967 1.00 42.22 H new ATOM 0 HB2 HIS A 83 -19.077 12.181 11.022 1.00 54.45 H new ATOM 0 HB3 HIS A 83 -18.792 11.821 12.713 1.00 54.45 H new ATOM 0 HD1 HIS A 83 -16.450 11.541 9.543 1.00 61.35 H new ATOM 0 HD2 HIS A 83 -16.636 12.700 13.565 1.00 33.51 H new ATOM 0 HE1 HIS A 83 -14.110 12.460 10.232 1.00 55.14 H new ATOM 1354 N ASP A 84 -21.070 10.650 11.805 1.00 72.05 N ATOM 1355 CA ASP A 84 -22.440 10.414 12.245 1.00 62.01 C ATOM 1356 C ASP A 84 -23.223 11.721 12.310 1.00 41.34 C ATOM 1357 O ASP A 84 -24.435 11.741 12.098 1.00 35.12 O ATOM 1358 CB ASP A 84 -22.447 9.732 13.614 1.00 12.31 C ATOM 1359 CG ASP A 84 -22.796 8.260 13.526 1.00 41.10 C ATOM 1360 OD1 ASP A 84 -23.888 7.938 13.013 1.00 53.41 O ATOM 1361 OD2 ASP A 84 -21.977 7.429 13.970 1.00 23.51 O ATOM 0 H ASP A 84 -20.910 11.573 11.401 1.00 72.05 H new ATOM 0 HA ASP A 84 -22.922 9.759 11.519 1.00 62.01 H new ATOM 0 HB2 ASP A 84 -21.466 9.843 14.077 1.00 12.31 H new ATOM 0 HB3 ASP A 84 -23.164 10.234 14.263 1.00 12.31 H new ATOM 1366 N ASP A 85 -22.522 12.811 12.604 1.00 75.40 N ATOM 1367 CA ASP A 85 -23.151 14.123 12.697 1.00 74.44 C ATOM 1368 C ASP A 85 -23.336 14.736 11.312 1.00 33.53 C ATOM 1369 O ASP A 85 -24.089 15.693 11.142 1.00 52.45 O ATOM 1370 CB ASP A 85 -22.312 15.054 13.572 1.00 45.33 C ATOM 1371 CG ASP A 85 -22.535 14.815 15.053 1.00 71.33 C ATOM 1372 OD1 ASP A 85 -23.706 14.834 15.486 1.00 22.32 O ATOM 1373 OD2 ASP A 85 -21.539 14.609 15.777 1.00 42.01 O ATOM 0 H ASP A 85 -21.518 12.811 12.782 1.00 75.40 H new ATOM 0 HA ASP A 85 -24.133 13.996 13.153 1.00 74.44 H new ATOM 0 HB2 ASP A 85 -21.257 14.913 13.339 1.00 45.33 H new ATOM 0 HB3 ASP A 85 -22.556 16.089 13.333 1.00 45.33 H new ATOM 1378 N GLY A 86 -22.643 14.177 10.325 1.00 23.24 N ATOM 1379 CA GLY A 86 -22.744 14.681 8.968 1.00 2.52 C ATOM 1380 C GLY A 86 -21.386 14.906 8.332 1.00 54.45 C ATOM 1381 O GLY A 86 -21.287 15.517 7.266 1.00 24.54 O ATOM 0 H GLY A 86 -22.013 13.383 10.441 1.00 23.24 H new ATOM 0 HA2 GLY A 86 -23.313 13.975 8.363 1.00 2.52 H new ATOM 0 HA3 GLY A 86 -23.300 15.618 8.972 1.00 2.52 H new ATOM 1385 N ARG A 87 -20.338 14.415 8.984 1.00 15.32 N ATOM 1386 CA ARG A 87 -18.981 14.568 8.477 1.00 42.43 C ATOM 1387 C ARG A 87 -18.376 13.212 8.123 1.00 15.21 C ATOM 1388 O ARG A 87 -18.481 12.255 8.890 1.00 1.42 O ATOM 1389 CB ARG A 87 -18.104 15.276 9.511 1.00 30.45 C ATOM 1390 CG ARG A 87 -18.527 16.709 9.792 1.00 64.42 C ATOM 1391 CD ARG A 87 -18.191 17.626 8.627 1.00 75.25 C ATOM 1392 NE ARG A 87 -19.219 18.642 8.416 1.00 14.22 N ATOM 1393 CZ ARG A 87 -19.364 19.712 9.190 1.00 12.31 C ATOM 1394 NH1 ARG A 87 -18.551 19.905 10.218 1.00 31.33 N ATOM 1395 NH2 ARG A 87 -20.325 20.592 8.935 1.00 64.24 N ATOM 0 H ARG A 87 -20.403 13.907 9.866 1.00 15.32 H new ATOM 0 HA ARG A 87 -19.025 15.174 7.572 1.00 42.43 H new ATOM 0 HB2 ARG A 87 -18.127 14.710 10.442 1.00 30.45 H new ATOM 0 HB3 ARG A 87 -17.071 15.273 9.162 1.00 30.45 H new ATOM 0 HG2 ARG A 87 -19.599 16.742 9.985 1.00 64.42 H new ATOM 0 HG3 ARG A 87 -18.029 17.067 10.693 1.00 64.42 H new ATOM 0 HD2 ARG A 87 -17.233 18.112 8.813 1.00 75.25 H new ATOM 0 HD3 ARG A 87 -18.076 17.033 7.720 1.00 75.25 H new ATOM 0 HE ARG A 87 -19.860 18.524 7.632 1.00 14.22 H new ATOM 0 HH11 ARG A 87 -17.811 19.231 10.417 1.00 31.33 H new ATOM 0 HH12 ARG A 87 -18.665 20.727 10.811 1.00 31.33 H new ATOM 0 HH21 ARG A 87 -20.953 20.447 8.144 1.00 64.24 H new ATOM 0 HH22 ARG A 87 -20.436 21.413 9.530 1.00 64.24 H new ATOM 1409 N VAL A 88 -17.745 13.139 6.956 1.00 22.42 N ATOM 1410 CA VAL A 88 -17.123 11.901 6.501 1.00 45.24 C ATOM 1411 C VAL A 88 -15.686 12.140 6.052 1.00 44.23 C ATOM 1412 O VAL A 88 -15.420 13.012 5.225 1.00 41.44 O ATOM 1413 CB VAL A 88 -17.913 11.270 5.339 1.00 63.20 C ATOM 1414 CG1 VAL A 88 -18.305 12.331 4.321 1.00 21.41 C ATOM 1415 CG2 VAL A 88 -17.102 10.164 4.682 1.00 74.34 C ATOM 0 H VAL A 88 -17.651 13.922 6.309 1.00 22.42 H new ATOM 0 HA VAL A 88 -17.127 11.216 7.348 1.00 45.24 H new ATOM 0 HB VAL A 88 -18.826 10.830 5.740 1.00 63.20 H new ATOM 0 HG11 VAL A 88 -18.862 11.866 3.508 1.00 21.41 H new ATOM 0 HG12 VAL A 88 -18.927 13.085 4.803 1.00 21.41 H new ATOM 0 HG13 VAL A 88 -17.407 12.802 3.922 1.00 21.41 H new ATOM 0 HG21 VAL A 88 -17.676 9.729 3.863 1.00 74.34 H new ATOM 0 HG22 VAL A 88 -16.171 10.577 4.294 1.00 74.34 H new ATOM 0 HG23 VAL A 88 -16.877 9.392 5.418 1.00 74.34 H new ATOM 1425 N SER A 89 -14.761 11.360 6.603 1.00 74.22 N ATOM 1426 CA SER A 89 -13.350 11.490 6.263 1.00 64.33 C ATOM 1427 C SER A 89 -12.812 10.189 5.671 1.00 13.33 C ATOM 1428 O SER A 89 -13.269 9.101 6.020 1.00 72.41 O ATOM 1429 CB SER A 89 -12.538 11.875 7.500 1.00 22.24 C ATOM 1430 OG SER A 89 -13.128 12.970 8.178 1.00 14.42 O ATOM 0 H SER A 89 -14.964 10.631 7.287 1.00 74.22 H new ATOM 0 HA SER A 89 -13.253 12.277 5.515 1.00 64.33 H new ATOM 0 HB2 SER A 89 -12.469 11.021 8.174 1.00 22.24 H new ATOM 0 HB3 SER A 89 -11.520 12.132 7.205 1.00 22.24 H new ATOM 0 HG SER A 89 -12.590 13.195 8.966 1.00 14.42 H new ATOM 1436 N TYR A 90 -11.839 10.312 4.777 1.00 64.55 N ATOM 1437 CA TYR A 90 -11.240 9.148 4.134 1.00 20.11 C ATOM 1438 C TYR A 90 -9.831 8.899 4.665 1.00 34.53 C ATOM 1439 O TYR A 90 -8.852 9.478 4.196 1.00 2.34 O ATOM 1440 CB TYR A 90 -11.198 9.340 2.618 1.00 53.12 C ATOM 1441 CG TYR A 90 -12.197 10.356 2.108 1.00 32.34 C ATOM 1442 CD1 TYR A 90 -13.498 9.982 1.793 1.00 62.22 C ATOM 1443 CD2 TYR A 90 -11.840 11.688 1.944 1.00 34.34 C ATOM 1444 CE1 TYR A 90 -14.413 10.906 1.327 1.00 32.22 C ATOM 1445 CE2 TYR A 90 -12.750 12.619 1.481 1.00 41.03 C ATOM 1446 CZ TYR A 90 -14.035 12.223 1.173 1.00 63.34 C ATOM 1447 OH TYR A 90 -14.943 13.147 0.711 1.00 72.55 O ATOM 0 H TYR A 90 -11.447 11.206 4.480 1.00 64.55 H new ATOM 0 HA TYR A 90 -11.857 8.280 4.366 1.00 20.11 H new ATOM 0 HB2 TYR A 90 -10.195 9.652 2.327 1.00 53.12 H new ATOM 0 HB3 TYR A 90 -11.387 8.382 2.133 1.00 53.12 H new ATOM 0 HD1 TYR A 90 -13.799 8.952 1.915 1.00 62.22 H new ATOM 0 HD2 TYR A 90 -10.834 12.001 2.182 1.00 34.34 H new ATOM 0 HE1 TYR A 90 -15.419 10.598 1.084 1.00 32.22 H new ATOM 0 HE2 TYR A 90 -12.457 13.651 1.361 1.00 41.03 H new ATOM 0 HH TYR A 90 -14.517 14.028 0.661 1.00 72.55 H new ATOM 1457 N PRO A 91 -9.726 8.012 5.667 1.00 53.43 N ATOM 1458 CA PRO A 91 -8.442 7.663 6.283 1.00 73.53 C ATOM 1459 C PRO A 91 -7.550 6.857 5.345 1.00 1.24 C ATOM 1460 O PRO A 91 -7.693 5.640 5.229 1.00 73.42 O ATOM 1461 CB PRO A 91 -8.849 6.818 7.492 1.00 24.33 C ATOM 1462 CG PRO A 91 -10.175 6.246 7.127 1.00 33.14 C ATOM 1463 CD PRO A 91 -10.852 7.283 6.274 1.00 20.10 C ATOM 0 HA PRO A 91 -7.858 8.547 6.540 1.00 73.53 H new ATOM 0 HB2 PRO A 91 -8.120 6.032 7.689 1.00 24.33 H new ATOM 0 HB3 PRO A 91 -8.915 7.425 8.395 1.00 24.33 H new ATOM 0 HG2 PRO A 91 -10.059 5.308 6.583 1.00 33.14 H new ATOM 0 HG3 PRO A 91 -10.764 6.028 8.017 1.00 33.14 H new ATOM 0 HD2 PRO A 91 -11.490 6.827 5.517 1.00 20.10 H new ATOM 0 HD3 PRO A 91 -11.484 7.942 6.869 1.00 20.10 H new ATOM 1471 N LEU A 92 -6.627 7.544 4.679 1.00 32.54 N ATOM 1472 CA LEU A 92 -5.710 6.891 3.752 1.00 23.23 C ATOM 1473 C LEU A 92 -4.654 6.087 4.505 1.00 74.41 C ATOM 1474 O LEU A 92 -3.926 6.626 5.338 1.00 11.14 O ATOM 1475 CB LEU A 92 -5.032 7.931 2.858 1.00 41.34 C ATOM 1476 CG LEU A 92 -5.520 7.991 1.410 1.00 33.12 C ATOM 1477 CD1 LEU A 92 -6.215 9.316 1.136 1.00 72.52 C ATOM 1478 CD2 LEU A 92 -4.360 7.787 0.447 1.00 71.40 C ATOM 0 H LEU A 92 -6.495 8.552 4.764 1.00 32.54 H new ATOM 0 HA LEU A 92 -6.287 6.206 3.131 1.00 23.23 H new ATOM 0 HB2 LEU A 92 -5.171 8.914 3.308 1.00 41.34 H new ATOM 0 HB3 LEU A 92 -3.960 7.732 2.851 1.00 41.34 H new ATOM 0 HG LEU A 92 -6.240 7.187 1.256 1.00 33.12 H new ATOM 0 HD11 LEU A 92 -6.556 9.341 0.101 1.00 72.52 H new ATOM 0 HD12 LEU A 92 -7.071 9.422 1.802 1.00 72.52 H new ATOM 0 HD13 LEU A 92 -5.517 10.135 1.308 1.00 72.52 H new ATOM 0 HD21 LEU A 92 -4.726 7.833 -0.579 1.00 71.40 H new ATOM 0 HD22 LEU A 92 -3.617 8.569 0.602 1.00 71.40 H new ATOM 0 HD23 LEU A 92 -3.905 6.813 0.627 1.00 71.40 H new ATOM 1490 N CYS A 93 -4.578 4.795 4.205 1.00 64.12 N ATOM 1491 CA CYS A 93 -3.610 3.916 4.852 1.00 31.45 C ATOM 1492 C CYS A 93 -2.698 3.259 3.822 1.00 62.25 C ATOM 1493 O CYS A 93 -3.058 3.127 2.652 1.00 10.41 O ATOM 1494 CB CYS A 93 -4.331 2.843 5.669 1.00 13.42 C ATOM 1495 SG CYS A 93 -5.321 3.498 7.034 1.00 75.34 S ATOM 0 H CYS A 93 -5.174 4.333 3.518 1.00 64.12 H new ATOM 0 HA CYS A 93 -2.997 4.521 5.520 1.00 31.45 H new ATOM 0 HB2 CYS A 93 -4.979 2.271 5.006 1.00 13.42 H new ATOM 0 HB3 CYS A 93 -3.592 2.149 6.070 1.00 13.42 H new ATOM 0 HG CYS A 93 -5.150 2.757 8.089 1.00 75.34 H new ATOM 1501 N PHE A 94 -1.513 2.849 4.263 1.00 1.42 N ATOM 1502 CA PHE A 94 -0.547 2.208 3.379 1.00 11.00 C ATOM 1503 C PHE A 94 -0.537 0.697 3.589 1.00 73.23 C ATOM 1504 O PHE A 94 -0.015 0.202 4.588 1.00 64.40 O ATOM 1505 CB PHE A 94 0.853 2.777 3.620 1.00 3.14 C ATOM 1506 CG PHE A 94 1.901 2.193 2.717 1.00 21.24 C ATOM 1507 CD1 PHE A 94 2.599 1.054 3.090 1.00 53.34 C ATOM 1508 CD2 PHE A 94 2.189 2.780 1.497 1.00 73.43 C ATOM 1509 CE1 PHE A 94 3.564 0.515 2.262 1.00 40.44 C ATOM 1510 CE2 PHE A 94 3.153 2.245 0.663 1.00 32.22 C ATOM 1511 CZ PHE A 94 3.842 1.111 1.045 1.00 34.55 C ATOM 0 H PHE A 94 -1.199 2.950 5.228 1.00 1.42 H new ATOM 0 HA PHE A 94 -0.842 2.412 2.350 1.00 11.00 H new ATOM 0 HB2 PHE A 94 0.826 3.858 3.481 1.00 3.14 H new ATOM 0 HB3 PHE A 94 1.136 2.596 4.657 1.00 3.14 H new ATOM 0 HD1 PHE A 94 2.386 0.583 4.038 1.00 53.34 H new ATOM 0 HD2 PHE A 94 1.654 3.667 1.193 1.00 73.43 H new ATOM 0 HE1 PHE A 94 4.101 -0.372 2.565 1.00 40.44 H new ATOM 0 HE2 PHE A 94 3.367 2.713 -0.286 1.00 32.22 H new ATOM 0 HZ PHE A 94 4.596 0.691 0.396 1.00 34.55 H new ATOM 1521 N ILE A 95 -1.119 -0.029 2.641 1.00 71.40 N ATOM 1522 CA ILE A 95 -1.177 -1.484 2.721 1.00 13.11 C ATOM 1523 C ILE A 95 -0.002 -2.122 1.987 1.00 72.31 C ATOM 1524 O ILE A 95 0.231 -1.847 0.810 1.00 72.14 O ATOM 1525 CB ILE A 95 -2.492 -2.028 2.133 1.00 20.34 C ATOM 1526 CG1 ILE A 95 -3.680 -1.590 2.992 1.00 0.14 C ATOM 1527 CG2 ILE A 95 -2.438 -3.545 2.028 1.00 2.24 C ATOM 1528 CD1 ILE A 95 -5.023 -1.916 2.378 1.00 11.24 C ATOM 0 H ILE A 95 -1.557 0.366 1.809 1.00 71.40 H new ATOM 0 HA ILE A 95 -1.126 -1.744 3.778 1.00 13.11 H new ATOM 0 HB ILE A 95 -2.622 -1.618 1.131 1.00 20.34 H new ATOM 0 HG12 ILE A 95 -3.609 -2.071 3.968 1.00 0.14 H new ATOM 0 HG13 ILE A 95 -3.619 -0.515 3.161 1.00 0.14 H new ATOM 0 HG21 ILE A 95 -3.375 -3.914 1.611 1.00 2.24 H new ATOM 0 HG22 ILE A 95 -1.612 -3.836 1.379 1.00 2.24 H new ATOM 0 HG23 ILE A 95 -2.289 -3.973 3.019 1.00 2.24 H new ATOM 0 HD11 ILE A 95 -5.818 -1.577 3.042 1.00 11.24 H new ATOM 0 HD12 ILE A 95 -5.115 -1.413 1.415 1.00 11.24 H new ATOM 0 HD13 ILE A 95 -5.105 -2.993 2.234 1.00 11.24 H new ATOM 1540 N PHE A 96 0.733 -2.977 2.689 1.00 64.43 N ATOM 1541 CA PHE A 96 1.883 -3.657 2.104 1.00 42.32 C ATOM 1542 C PHE A 96 1.598 -5.143 1.912 1.00 12.50 C ATOM 1543 O PHE A 96 1.472 -5.893 2.880 1.00 1.44 O ATOM 1544 CB PHE A 96 3.116 -3.473 2.991 1.00 3.34 C ATOM 1545 CG PHE A 96 4.349 -4.135 2.449 1.00 63.25 C ATOM 1546 CD1 PHE A 96 4.382 -4.608 1.146 1.00 40.42 C ATOM 1547 CD2 PHE A 96 5.477 -4.287 3.240 1.00 35.43 C ATOM 1548 CE1 PHE A 96 5.516 -5.218 0.643 1.00 11.13 C ATOM 1549 CE2 PHE A 96 6.613 -4.895 2.742 1.00 22.33 C ATOM 1550 CZ PHE A 96 6.633 -5.363 1.443 1.00 54.23 C ATOM 0 H PHE A 96 0.553 -3.216 3.664 1.00 64.43 H new ATOM 0 HA PHE A 96 2.077 -3.214 1.127 1.00 42.32 H new ATOM 0 HB2 PHE A 96 3.310 -2.407 3.113 1.00 3.34 H new ATOM 0 HB3 PHE A 96 2.904 -3.874 3.982 1.00 3.34 H new ATOM 0 HD1 PHE A 96 3.511 -4.499 0.516 1.00 40.42 H new ATOM 0 HD2 PHE A 96 5.468 -3.926 4.258 1.00 35.43 H new ATOM 0 HE1 PHE A 96 5.529 -5.581 -0.374 1.00 11.13 H new ATOM 0 HE2 PHE A 96 7.486 -5.004 3.369 1.00 22.33 H new ATOM 0 HZ PHE A 96 7.520 -5.841 1.053 1.00 54.23 H new ATOM 1560 N SER A 97 1.496 -5.562 0.655 1.00 11.00 N ATOM 1561 CA SER A 97 1.220 -6.958 0.335 1.00 44.41 C ATOM 1562 C SER A 97 2.482 -7.806 0.472 1.00 52.33 C ATOM 1563 O SER A 97 3.329 -7.828 -0.421 1.00 10.34 O ATOM 1564 CB SER A 97 0.664 -7.077 -1.086 1.00 4.23 C ATOM 1565 OG SER A 97 0.665 -8.426 -1.522 1.00 51.21 O ATOM 0 H SER A 97 1.600 -4.955 -0.158 1.00 11.00 H new ATOM 0 HA SER A 97 0.476 -7.327 1.041 1.00 44.41 H new ATOM 0 HB2 SER A 97 -0.351 -6.682 -1.117 1.00 4.23 H new ATOM 0 HB3 SER A 97 1.263 -6.471 -1.766 1.00 4.23 H new ATOM 0 HG SER A 97 0.304 -8.476 -2.432 1.00 51.21 H new ATOM 1571 N SER A 98 2.598 -8.504 1.598 1.00 41.24 N ATOM 1572 CA SER A 98 3.757 -9.350 1.856 1.00 71.55 C ATOM 1573 C SER A 98 3.323 -10.759 2.248 1.00 72.22 C ATOM 1574 O SER A 98 3.052 -11.052 3.414 1.00 42.44 O ATOM 1575 CB SER A 98 4.623 -8.744 2.961 1.00 33.30 C ATOM 1576 OG SER A 98 5.987 -9.081 2.783 1.00 31.22 O ATOM 0 H SER A 98 1.904 -8.500 2.345 1.00 41.24 H new ATOM 0 HA SER A 98 4.343 -9.411 0.939 1.00 71.55 H new ATOM 0 HB2 SER A 98 4.510 -7.660 2.962 1.00 33.30 H new ATOM 0 HB3 SER A 98 4.281 -9.101 3.932 1.00 33.30 H new ATOM 0 HG SER A 98 6.423 -8.400 2.229 1.00 31.22 H new ATOM 1582 N PRO A 99 3.255 -11.656 1.253 1.00 41.22 N ATOM 1583 CA PRO A 99 2.855 -13.049 1.468 1.00 21.44 C ATOM 1584 C PRO A 99 3.905 -13.841 2.241 1.00 63.51 C ATOM 1585 O PRO A 99 4.792 -13.265 2.869 1.00 4.11 O ATOM 1586 CB PRO A 99 2.708 -13.600 0.048 1.00 22.11 C ATOM 1587 CG PRO A 99 3.601 -12.746 -0.784 1.00 15.31 C ATOM 1588 CD PRO A 99 3.563 -11.378 -0.160 1.00 23.13 C ATOM 0 HA PRO A 99 1.946 -13.124 2.065 1.00 21.44 H new ATOM 0 HB2 PRO A 99 3.003 -14.648 -0.002 1.00 22.11 H new ATOM 0 HB3 PRO A 99 1.675 -13.543 -0.294 1.00 22.11 H new ATOM 0 HG2 PRO A 99 4.617 -13.141 -0.798 1.00 15.31 H new ATOM 0 HG3 PRO A 99 3.258 -12.713 -1.818 1.00 15.31 H new ATOM 0 HD2 PRO A 99 4.516 -10.860 -0.269 1.00 23.13 H new ATOM 0 HD3 PRO A 99 2.803 -10.747 -0.620 1.00 23.13 H new ATOM 1596 N VAL A 100 3.799 -15.165 2.188 1.00 33.12 N ATOM 1597 CA VAL A 100 4.740 -16.036 2.882 1.00 13.31 C ATOM 1598 C VAL A 100 5.401 -17.012 1.915 1.00 32.11 C ATOM 1599 O VAL A 100 6.590 -17.305 2.029 1.00 74.13 O ATOM 1600 CB VAL A 100 4.048 -16.831 4.004 1.00 54.01 C ATOM 1601 CG1 VAL A 100 4.950 -17.950 4.502 1.00 60.21 C ATOM 1602 CG2 VAL A 100 3.651 -15.907 5.146 1.00 74.32 C ATOM 0 H VAL A 100 3.071 -15.658 1.671 1.00 33.12 H new ATOM 0 HA VAL A 100 5.502 -15.392 3.321 1.00 13.31 H new ATOM 0 HB VAL A 100 3.141 -17.281 3.599 1.00 54.01 H new ATOM 0 HG11 VAL A 100 4.443 -18.500 5.295 1.00 60.21 H new ATOM 0 HG12 VAL A 100 5.178 -18.627 3.679 1.00 60.21 H new ATOM 0 HG13 VAL A 100 5.876 -17.526 4.890 1.00 60.21 H new ATOM 0 HG21 VAL A 100 3.163 -16.486 5.930 1.00 74.32 H new ATOM 0 HG22 VAL A 100 4.541 -15.426 5.551 1.00 74.32 H new ATOM 0 HG23 VAL A 100 2.964 -15.146 4.776 1.00 74.32 H new ATOM 1612 N GLY A 101 4.620 -17.512 0.962 1.00 60.13 N ATOM 1613 CA GLY A 101 5.146 -18.450 -0.012 1.00 40.04 C ATOM 1614 C GLY A 101 6.040 -17.781 -1.037 1.00 0.41 C ATOM 1615 O GLY A 101 6.464 -18.411 -2.006 1.00 41.11 O ATOM 0 H GLY A 101 3.632 -17.284 0.847 1.00 60.13 H new ATOM 0 HA2 GLY A 101 5.709 -19.228 0.504 1.00 40.04 H new ATOM 0 HA3 GLY A 101 4.318 -18.942 -0.522 1.00 40.04 H new ATOM 1619 N CYS A 102 6.324 -16.501 -0.826 1.00 21.04 N ATOM 1620 CA CYS A 102 7.172 -15.745 -1.741 1.00 53.44 C ATOM 1621 C CYS A 102 8.646 -16.052 -1.497 1.00 52.22 C ATOM 1622 O CYS A 102 8.985 -16.927 -0.702 1.00 61.20 O ATOM 1623 CB CYS A 102 6.918 -14.244 -1.582 1.00 24.41 C ATOM 1624 SG CYS A 102 6.986 -13.662 0.128 1.00 12.50 S ATOM 0 H CYS A 102 5.980 -15.965 -0.030 1.00 21.04 H new ATOM 0 HA CYS A 102 6.922 -16.043 -2.759 1.00 53.44 H new ATOM 0 HB2 CYS A 102 7.655 -13.697 -2.170 1.00 24.41 H new ATOM 0 HB3 CYS A 102 5.939 -14.006 -1.997 1.00 24.41 H new ATOM 0 HG CYS A 102 8.223 -13.631 0.527 1.00 12.50 H new ATOM 1630 N LYS A 103 9.518 -15.326 -2.190 1.00 32.54 N ATOM 1631 CA LYS A 103 10.956 -15.521 -2.049 1.00 61.35 C ATOM 1632 C LYS A 103 11.591 -14.361 -1.288 1.00 75.15 C ATOM 1633 O LYS A 103 11.156 -13.213 -1.384 1.00 11.22 O ATOM 1634 CB LYS A 103 11.609 -15.658 -3.427 1.00 61.03 C ATOM 1635 CG LYS A 103 10.761 -16.424 -4.428 1.00 41.14 C ATOM 1636 CD LYS A 103 10.529 -15.617 -5.695 1.00 62.12 C ATOM 1637 CE LYS A 103 11.843 -15.199 -6.338 1.00 25.12 C ATOM 1638 NZ LYS A 103 12.102 -15.937 -7.604 1.00 75.44 N ATOM 0 H LYS A 103 9.254 -14.598 -2.854 1.00 32.54 H new ATOM 0 HA LYS A 103 11.120 -16.437 -1.482 1.00 61.35 H new ATOM 0 HB2 LYS A 103 11.814 -14.663 -3.823 1.00 61.03 H new ATOM 0 HB3 LYS A 103 12.569 -16.162 -3.316 1.00 61.03 H new ATOM 0 HG2 LYS A 103 11.253 -17.364 -4.679 1.00 41.14 H new ATOM 0 HG3 LYS A 103 9.802 -16.677 -3.976 1.00 41.14 H new ATOM 0 HD2 LYS A 103 9.948 -16.208 -6.403 1.00 62.12 H new ATOM 0 HD3 LYS A 103 9.939 -14.731 -5.460 1.00 62.12 H new ATOM 0 HE2 LYS A 103 11.824 -14.128 -6.540 1.00 25.12 H new ATOM 0 HE3 LYS A 103 12.661 -15.377 -5.640 1.00 25.12 H new ATOM 0 HZ1 LYS A 103 13.006 -15.623 -8.010 1.00 75.44 H new ATOM 0 HZ2 LYS A 103 12.146 -16.957 -7.408 1.00 75.44 H new ATOM 0 HZ3 LYS A 103 11.335 -15.747 -8.280 1.00 75.44 H new ATOM 1652 N PRO A 104 12.644 -14.665 -0.516 1.00 33.04 N ATOM 1653 CA PRO A 104 13.361 -13.661 0.276 1.00 43.13 C ATOM 1654 C PRO A 104 14.156 -12.696 -0.597 1.00 42.31 C ATOM 1655 O PRO A 104 14.552 -11.621 -0.147 1.00 20.24 O ATOM 1656 CB PRO A 104 14.304 -14.500 1.142 1.00 21.00 C ATOM 1657 CG PRO A 104 14.507 -15.758 0.372 1.00 31.33 C ATOM 1658 CD PRO A 104 13.215 -16.013 -0.354 1.00 62.41 C ATOM 0 HA PRO A 104 12.681 -13.031 0.850 1.00 43.13 H new ATOM 0 HB2 PRO A 104 15.249 -13.984 1.313 1.00 21.00 H new ATOM 0 HB3 PRO A 104 13.869 -14.701 2.121 1.00 21.00 H new ATOM 0 HG2 PRO A 104 15.335 -15.657 -0.329 1.00 31.33 H new ATOM 0 HG3 PRO A 104 14.751 -16.587 1.036 1.00 31.33 H new ATOM 0 HD2 PRO A 104 13.383 -16.497 -1.316 1.00 62.41 H new ATOM 0 HD3 PRO A 104 12.554 -16.664 0.218 1.00 62.41 H new ATOM 1666 N GLU A 105 14.386 -13.087 -1.847 1.00 31.22 N ATOM 1667 CA GLU A 105 15.134 -12.254 -2.781 1.00 32.53 C ATOM 1668 C GLU A 105 14.322 -11.029 -3.189 1.00 62.04 C ATOM 1669 O GLU A 105 14.866 -9.938 -3.355 1.00 1.35 O ATOM 1670 CB GLU A 105 15.519 -13.062 -4.022 1.00 75.24 C ATOM 1671 CG GLU A 105 16.958 -13.550 -4.010 1.00 33.43 C ATOM 1672 CD GLU A 105 17.953 -12.437 -4.274 1.00 23.54 C ATOM 1673 OE1 GLU A 105 18.173 -12.105 -5.457 1.00 75.43 O ATOM 1674 OE2 GLU A 105 18.513 -11.899 -3.296 1.00 2.30 O ATOM 0 H GLU A 105 14.065 -13.974 -2.235 1.00 31.22 H new ATOM 0 HA GLU A 105 16.041 -11.915 -2.280 1.00 32.53 H new ATOM 0 HB2 GLU A 105 14.854 -13.921 -4.106 1.00 75.24 H new ATOM 0 HB3 GLU A 105 15.360 -12.448 -4.908 1.00 75.24 H new ATOM 0 HG2 GLU A 105 17.175 -14.005 -3.044 1.00 33.43 H new ATOM 0 HG3 GLU A 105 17.080 -14.328 -4.764 1.00 33.43 H new ATOM 1681 N GLN A 106 13.016 -11.220 -3.353 1.00 0.52 N ATOM 1682 CA GLN A 106 12.130 -10.130 -3.743 1.00 53.21 C ATOM 1683 C GLN A 106 11.593 -9.399 -2.518 1.00 32.24 C ATOM 1684 O GLN A 106 11.796 -8.195 -2.364 1.00 31.45 O ATOM 1685 CB GLN A 106 10.967 -10.666 -4.581 1.00 70.20 C ATOM 1686 CG GLN A 106 11.367 -11.782 -5.533 1.00 62.30 C ATOM 1687 CD GLN A 106 12.232 -11.291 -6.677 1.00 44.43 C ATOM 1688 OE1 GLN A 106 13.309 -11.830 -6.933 1.00 42.34 O ATOM 1689 NE2 GLN A 106 11.765 -10.260 -7.373 1.00 74.42 N ATOM 0 H GLN A 106 12.550 -12.118 -3.222 1.00 0.52 H new ATOM 0 HA GLN A 106 12.706 -9.424 -4.341 1.00 53.21 H new ATOM 0 HB2 GLN A 106 10.187 -11.032 -3.913 1.00 70.20 H new ATOM 0 HB3 GLN A 106 10.536 -9.846 -5.156 1.00 70.20 H new ATOM 0 HG2 GLN A 106 11.906 -12.551 -4.979 1.00 62.30 H new ATOM 0 HG3 GLN A 106 10.469 -12.250 -5.936 1.00 62.30 H new ATOM 0 HE21 GLN A 106 10.867 -9.843 -7.127 1.00 74.42 H new ATOM 0 HE22 GLN A 106 12.304 -9.885 -8.154 1.00 74.42 H new ATOM 1698 N GLN A 107 10.906 -10.135 -1.649 1.00 44.21 N ATOM 1699 CA GLN A 107 10.339 -9.554 -0.437 1.00 43.02 C ATOM 1700 C GLN A 107 11.275 -8.504 0.152 1.00 52.21 C ATOM 1701 O GLN A 107 10.828 -7.465 0.638 1.00 25.01 O ATOM 1702 CB GLN A 107 10.065 -10.648 0.597 1.00 44.24 C ATOM 1703 CG GLN A 107 8.649 -10.622 1.149 1.00 51.55 C ATOM 1704 CD GLN A 107 8.586 -10.100 2.571 1.00 43.34 C ATOM 1705 OE1 GLN A 107 8.259 -10.836 3.501 1.00 73.42 O ATOM 1706 NE2 GLN A 107 8.901 -8.821 2.747 1.00 71.32 N ATOM 0 H GLN A 107 10.729 -11.133 -1.762 1.00 44.21 H new ATOM 0 HA GLN A 107 9.399 -9.069 -0.701 1.00 43.02 H new ATOM 0 HB2 GLN A 107 10.251 -11.621 0.142 1.00 44.24 H new ATOM 0 HB3 GLN A 107 10.770 -10.542 1.422 1.00 44.24 H new ATOM 0 HG2 GLN A 107 8.025 -9.998 0.509 1.00 51.55 H new ATOM 0 HG3 GLN A 107 8.232 -11.629 1.117 1.00 51.55 H new ATOM 0 HE21 GLN A 107 9.167 -8.246 1.947 1.00 71.32 H new ATOM 0 HE22 GLN A 107 8.877 -8.414 3.682 1.00 71.32 H new ATOM 1715 N MET A 108 12.573 -8.781 0.105 1.00 32.45 N ATOM 1716 CA MET A 108 13.572 -7.859 0.634 1.00 14.22 C ATOM 1717 C MET A 108 13.567 -6.549 -0.145 1.00 41.54 C ATOM 1718 O MET A 108 13.646 -5.468 0.439 1.00 2.33 O ATOM 1719 CB MET A 108 14.963 -8.494 0.581 1.00 13.31 C ATOM 1720 CG MET A 108 15.316 -9.289 1.827 1.00 42.41 C ATOM 1721 SD MET A 108 17.041 -9.087 2.313 1.00 43.41 S ATOM 1722 CE MET A 108 17.878 -9.606 0.817 1.00 74.22 C ATOM 0 H MET A 108 12.959 -9.637 -0.294 1.00 32.45 H new ATOM 0 HA MET A 108 13.319 -7.645 1.672 1.00 14.22 H new ATOM 0 HB2 MET A 108 15.021 -9.150 -0.287 1.00 13.31 H new ATOM 0 HB3 MET A 108 15.706 -7.710 0.438 1.00 13.31 H new ATOM 0 HG2 MET A 108 14.672 -8.975 2.648 1.00 42.41 H new ATOM 0 HG3 MET A 108 15.114 -10.345 1.649 1.00 42.41 H new ATOM 0 HE1 MET A 108 18.945 -9.708 1.014 1.00 74.22 H new ATOM 0 HE2 MET A 108 17.476 -10.565 0.489 1.00 74.22 H new ATOM 0 HE3 MET A 108 17.722 -8.862 0.036 1.00 74.22 H new ATOM 1732 N MET A 109 13.475 -6.651 -1.467 1.00 72.41 N ATOM 1733 CA MET A 109 13.459 -5.473 -2.325 1.00 41.21 C ATOM 1734 C MET A 109 12.361 -4.504 -1.900 1.00 12.25 C ATOM 1735 O MET A 109 12.494 -3.290 -2.059 1.00 31.12 O ATOM 1736 CB MET A 109 13.258 -5.882 -3.786 1.00 54.31 C ATOM 1737 CG MET A 109 14.553 -5.981 -4.573 1.00 41.25 C ATOM 1738 SD MET A 109 14.613 -4.831 -5.961 1.00 71.45 S ATOM 1739 CE MET A 109 13.698 -5.748 -7.200 1.00 4.23 C ATOM 0 H MET A 109 13.410 -7.538 -1.967 1.00 72.41 H new ATOM 0 HA MET A 109 14.421 -4.970 -2.225 1.00 41.21 H new ATOM 0 HB2 MET A 109 12.748 -6.845 -3.818 1.00 54.31 H new ATOM 0 HB3 MET A 109 12.603 -5.158 -4.270 1.00 54.31 H new ATOM 0 HG2 MET A 109 15.394 -5.785 -3.908 1.00 41.25 H new ATOM 0 HG3 MET A 109 14.671 -6.999 -4.944 1.00 41.25 H new ATOM 0 HE1 MET A 109 13.525 -5.113 -8.069 1.00 4.23 H new ATOM 0 HE2 MET A 109 14.271 -6.625 -7.500 1.00 4.23 H new ATOM 0 HE3 MET A 109 12.741 -6.064 -6.785 1.00 4.23 H new ATOM 1749 N TYR A 110 11.276 -5.048 -1.359 1.00 33.14 N ATOM 1750 CA TYR A 110 10.152 -4.231 -0.913 1.00 65.32 C ATOM 1751 C TYR A 110 10.254 -3.935 0.580 1.00 25.23 C ATOM 1752 O TYR A 110 9.841 -2.872 1.042 1.00 63.20 O ATOM 1753 CB TYR A 110 8.831 -4.938 -1.216 1.00 12.13 C ATOM 1754 CG TYR A 110 8.686 -5.360 -2.661 1.00 15.40 C ATOM 1755 CD1 TYR A 110 9.285 -6.522 -3.129 1.00 71.31 C ATOM 1756 CD2 TYR A 110 7.949 -4.595 -3.557 1.00 30.25 C ATOM 1757 CE1 TYR A 110 9.156 -6.910 -4.448 1.00 53.02 C ATOM 1758 CE2 TYR A 110 7.813 -4.977 -4.878 1.00 60.03 C ATOM 1759 CZ TYR A 110 8.419 -6.135 -5.319 1.00 15.32 C ATOM 1760 OH TYR A 110 8.287 -6.519 -6.633 1.00 61.14 O ATOM 0 H TYR A 110 11.151 -6.050 -1.219 1.00 33.14 H new ATOM 0 HA TYR A 110 10.183 -3.286 -1.455 1.00 65.32 H new ATOM 0 HB2 TYR A 110 8.746 -5.818 -0.579 1.00 12.13 H new ATOM 0 HB3 TYR A 110 8.006 -4.275 -0.956 1.00 12.13 H new ATOM 0 HD1 TYR A 110 9.862 -7.133 -2.450 1.00 71.31 H new ATOM 0 HD2 TYR A 110 7.475 -3.687 -3.215 1.00 30.25 H new ATOM 0 HE1 TYR A 110 9.630 -7.816 -4.796 1.00 53.02 H new ATOM 0 HE2 TYR A 110 7.235 -4.372 -5.561 1.00 60.03 H new ATOM 0 HH TYR A 110 7.736 -5.864 -7.111 1.00 61.14 H new ATOM 1770 N ALA A 111 10.807 -4.884 1.328 1.00 10.54 N ATOM 1771 CA ALA A 111 10.966 -4.724 2.769 1.00 50.01 C ATOM 1772 C ALA A 111 11.965 -3.618 3.092 1.00 23.34 C ATOM 1773 O ALA A 111 11.867 -2.962 4.128 1.00 14.10 O ATOM 1774 CB ALA A 111 11.406 -6.037 3.400 1.00 15.41 C ATOM 0 H ALA A 111 11.152 -5.771 0.961 1.00 10.54 H new ATOM 0 HA ALA A 111 10.001 -4.438 3.187 1.00 50.01 H new ATOM 0 HB1 ALA A 111 11.521 -5.903 4.476 1.00 15.41 H new ATOM 0 HB2 ALA A 111 10.655 -6.803 3.208 1.00 15.41 H new ATOM 0 HB3 ALA A 111 12.358 -6.347 2.969 1.00 15.41 H new ATOM 1780 N GLY A 112 12.930 -3.419 2.198 1.00 52.40 N ATOM 1781 CA GLY A 112 13.934 -2.392 2.408 1.00 71.32 C ATOM 1782 C GLY A 112 13.582 -1.087 1.720 1.00 62.22 C ATOM 1783 O GLY A 112 14.095 -0.029 2.082 1.00 42.43 O ATOM 0 H GLY A 112 13.034 -3.950 1.333 1.00 52.40 H new ATOM 0 HA2 GLY A 112 14.050 -2.215 3.477 1.00 71.32 H new ATOM 0 HA3 GLY A 112 14.895 -2.747 2.037 1.00 71.32 H new ATOM 1787 N SER A 113 12.705 -1.163 0.724 1.00 61.34 N ATOM 1788 CA SER A 113 12.290 0.020 -0.020 1.00 52.52 C ATOM 1789 C SER A 113 10.926 0.511 0.458 1.00 2.24 C ATOM 1790 O SER A 113 10.511 1.627 0.147 1.00 12.22 O ATOM 1791 CB SER A 113 12.237 -0.286 -1.518 1.00 31.23 C ATOM 1792 OG SER A 113 13.479 -0.788 -1.980 1.00 24.21 O ATOM 0 H SER A 113 12.268 -2.031 0.414 1.00 61.34 H new ATOM 0 HA SER A 113 13.024 0.806 0.157 1.00 52.52 H new ATOM 0 HB2 SER A 113 11.450 -1.014 -1.716 1.00 31.23 H new ATOM 0 HB3 SER A 113 11.979 0.619 -2.068 1.00 31.23 H new ATOM 0 HG SER A 113 13.418 -1.760 -2.092 1.00 24.21 H new ATOM 1798 N LYS A 114 10.234 -0.332 1.217 1.00 53.04 N ATOM 1799 CA LYS A 114 8.918 0.015 1.741 1.00 73.22 C ATOM 1800 C LYS A 114 8.936 1.396 2.388 1.00 33.30 C ATOM 1801 O LYS A 114 8.144 2.268 2.031 1.00 2.34 O ATOM 1802 CB LYS A 114 8.460 -1.032 2.759 1.00 24.21 C ATOM 1803 CG LYS A 114 7.290 -0.578 3.614 1.00 5.44 C ATOM 1804 CD LYS A 114 6.805 -1.687 4.531 1.00 71.30 C ATOM 1805 CE LYS A 114 7.094 -1.372 5.991 1.00 4.12 C ATOM 1806 NZ LYS A 114 6.306 -2.237 6.912 1.00 2.43 N ATOM 0 H LYS A 114 10.562 -1.260 1.483 1.00 53.04 H new ATOM 0 HA LYS A 114 8.216 0.034 0.907 1.00 73.22 H new ATOM 0 HB2 LYS A 114 8.180 -1.943 2.230 1.00 24.21 H new ATOM 0 HB3 LYS A 114 9.298 -1.285 3.409 1.00 24.21 H new ATOM 0 HG2 LYS A 114 7.588 0.284 4.211 1.00 5.44 H new ATOM 0 HG3 LYS A 114 6.472 -0.254 2.970 1.00 5.44 H new ATOM 0 HD2 LYS A 114 5.733 -1.830 4.394 1.00 71.30 H new ATOM 0 HD3 LYS A 114 7.290 -2.624 4.257 1.00 71.30 H new ATOM 0 HE2 LYS A 114 8.158 -1.506 6.188 1.00 4.12 H new ATOM 0 HE3 LYS A 114 6.863 -0.325 6.189 1.00 4.12 H new ATOM 0 HZ1 LYS A 114 6.531 -1.991 7.897 1.00 2.43 H new ATOM 0 HZ2 LYS A 114 5.290 -2.090 6.742 1.00 2.43 H new ATOM 0 HZ3 LYS A 114 6.545 -3.235 6.741 1.00 2.43 H new ATOM 1820 N ASN A 115 9.844 1.587 3.338 1.00 30.14 N ATOM 1821 CA ASN A 115 9.964 2.862 4.035 1.00 43.41 C ATOM 1822 C ASN A 115 10.191 4.003 3.046 1.00 72.31 C ATOM 1823 O ASN A 115 9.603 5.076 3.176 1.00 74.05 O ATOM 1824 CB ASN A 115 11.115 2.811 5.042 1.00 31.32 C ATOM 1825 CG ASN A 115 12.474 2.896 4.374 1.00 52.01 C ATOM 1826 OD1 ASN A 115 12.948 3.983 4.044 1.00 13.32 O ATOM 1827 ND2 ASN A 115 13.106 1.746 4.170 1.00 4.11 N ATOM 0 H ASN A 115 10.508 0.875 3.643 1.00 30.14 H new ATOM 0 HA ASN A 115 9.031 3.045 4.568 1.00 43.41 H new ATOM 0 HB2 ASN A 115 11.010 3.632 5.751 1.00 31.32 H new ATOM 0 HB3 ASN A 115 11.052 1.886 5.614 1.00 31.32 H new ATOM 0 HD21 ASN A 115 14.023 1.740 3.723 1.00 4.11 H new ATOM 0 HD22 ASN A 115 12.675 0.868 4.460 1.00 4.11 H new ATOM 1834 N ARG A 116 11.046 3.760 2.059 1.00 43.02 N ATOM 1835 CA ARG A 116 11.351 4.766 1.048 1.00 31.13 C ATOM 1836 C ARG A 116 10.075 5.269 0.380 1.00 54.14 C ATOM 1837 O ARG A 116 9.794 6.468 0.377 1.00 42.42 O ATOM 1838 CB ARG A 116 12.298 4.190 -0.006 1.00 5.31 C ATOM 1839 CG ARG A 116 12.500 5.101 -1.206 1.00 64.21 C ATOM 1840 CD ARG A 116 13.425 6.263 -0.874 1.00 74.32 C ATOM 1841 NE ARG A 116 14.822 5.948 -1.158 1.00 23.31 N ATOM 1842 CZ ARG A 116 15.838 6.732 -0.811 1.00 74.34 C ATOM 1843 NH1 ARG A 116 15.611 7.871 -0.171 1.00 30.50 N ATOM 1844 NH2 ARG A 116 17.082 6.378 -1.106 1.00 72.20 N ATOM 0 H ARG A 116 11.540 2.876 1.937 1.00 43.02 H new ATOM 0 HA ARG A 116 11.838 5.607 1.543 1.00 31.13 H new ATOM 0 HB2 ARG A 116 13.265 3.992 0.456 1.00 5.31 H new ATOM 0 HB3 ARG A 116 11.907 3.232 -0.349 1.00 5.31 H new ATOM 0 HG2 ARG A 116 12.917 4.527 -2.034 1.00 64.21 H new ATOM 0 HG3 ARG A 116 11.536 5.486 -1.539 1.00 64.21 H new ATOM 0 HD2 ARG A 116 13.127 7.140 -1.449 1.00 74.32 H new ATOM 0 HD3 ARG A 116 13.319 6.522 0.180 1.00 74.32 H new ATOM 0 HE ARG A 116 15.030 5.079 -1.650 1.00 23.31 H new ATOM 0 HH11 ARG A 116 14.656 8.147 0.056 1.00 30.50 H new ATOM 0 HH12 ARG A 116 16.392 8.471 0.094 1.00 30.50 H new ATOM 0 HH21 ARG A 116 17.260 5.503 -1.600 1.00 72.20 H new ATOM 0 HH22 ARG A 116 17.861 6.981 -0.839 1.00 72.20 H new ATOM 1858 N LEU A 117 9.305 4.346 -0.185 1.00 44.04 N ATOM 1859 CA LEU A 117 8.059 4.695 -0.857 1.00 61.55 C ATOM 1860 C LEU A 117 7.093 5.376 0.106 1.00 64.30 C ATOM 1861 O LEU A 117 6.680 6.514 -0.113 1.00 51.00 O ATOM 1862 CB LEU A 117 7.408 3.444 -1.451 1.00 42.13 C ATOM 1863 CG LEU A 117 5.988 3.617 -1.988 1.00 14.22 C ATOM 1864 CD1 LEU A 117 6.006 4.346 -3.322 1.00 31.12 C ATOM 1865 CD2 LEU A 117 5.302 2.265 -2.126 1.00 14.25 C ATOM 0 H LEU A 117 9.522 3.349 -0.191 1.00 44.04 H new ATOM 0 HA LEU A 117 8.293 5.392 -1.662 1.00 61.55 H new ATOM 0 HB2 LEU A 117 8.040 3.080 -2.261 1.00 42.13 H new ATOM 0 HB3 LEU A 117 7.393 2.668 -0.686 1.00 42.13 H new ATOM 0 HG LEU A 117 5.422 4.219 -1.277 1.00 14.22 H new ATOM 0 HD11 LEU A 117 4.986 4.460 -3.688 1.00 31.12 H new ATOM 0 HD12 LEU A 117 6.457 5.330 -3.193 1.00 31.12 H new ATOM 0 HD13 LEU A 117 6.588 3.772 -4.043 1.00 31.12 H new ATOM 0 HD21 LEU A 117 4.292 2.407 -2.510 1.00 14.25 H new ATOM 0 HD22 LEU A 117 5.867 1.639 -2.816 1.00 14.25 H new ATOM 0 HD23 LEU A 117 5.255 1.780 -1.151 1.00 14.25 H new ATOM 1877 N VAL A 118 6.739 4.672 1.177 1.00 75.41 N ATOM 1878 CA VAL A 118 5.824 5.209 2.176 1.00 11.33 C ATOM 1879 C VAL A 118 6.223 6.622 2.585 1.00 44.12 C ATOM 1880 O VAL A 118 5.417 7.549 2.518 1.00 32.32 O ATOM 1881 CB VAL A 118 5.777 4.318 3.432 1.00 65.12 C ATOM 1882 CG1 VAL A 118 4.924 4.962 4.513 1.00 3.13 C ATOM 1883 CG2 VAL A 118 5.255 2.933 3.083 1.00 32.12 C ATOM 0 H VAL A 118 7.072 3.728 1.374 1.00 75.41 H new ATOM 0 HA VAL A 118 4.835 5.232 1.718 1.00 11.33 H new ATOM 0 HB VAL A 118 6.791 4.212 3.819 1.00 65.12 H new ATOM 0 HG11 VAL A 118 4.903 4.318 5.392 1.00 3.13 H new ATOM 0 HG12 VAL A 118 5.347 5.930 4.782 1.00 3.13 H new ATOM 0 HG13 VAL A 118 3.909 5.101 4.141 1.00 3.13 H new ATOM 0 HG21 VAL A 118 5.228 2.317 3.982 1.00 32.12 H new ATOM 0 HG22 VAL A 118 4.250 3.016 2.670 1.00 32.12 H new ATOM 0 HG23 VAL A 118 5.912 2.471 2.346 1.00 32.12 H new ATOM 1893 N GLN A 119 7.475 6.779 3.005 1.00 53.25 N ATOM 1894 CA GLN A 119 7.982 8.080 3.424 1.00 41.24 C ATOM 1895 C GLN A 119 7.676 9.147 2.377 1.00 63.24 C ATOM 1896 O GLN A 119 7.258 10.257 2.709 1.00 23.10 O ATOM 1897 CB GLN A 119 9.490 8.009 3.670 1.00 72.12 C ATOM 1898 CG GLN A 119 9.856 7.553 5.073 1.00 62.44 C ATOM 1899 CD GLN A 119 11.154 8.163 5.565 1.00 22.33 C ATOM 1900 OE1 GLN A 119 12.210 7.977 4.959 1.00 1.12 O ATOM 1901 NE2 GLN A 119 11.082 8.897 6.669 1.00 41.25 N ATOM 0 H GLN A 119 8.156 6.022 3.064 1.00 53.25 H new ATOM 0 HA GLN A 119 7.482 8.354 4.353 1.00 41.24 H new ATOM 0 HB2 GLN A 119 9.936 7.326 2.947 1.00 72.12 H new ATOM 0 HB3 GLN A 119 9.926 8.992 3.491 1.00 72.12 H new ATOM 0 HG2 GLN A 119 9.051 7.819 5.759 1.00 62.44 H new ATOM 0 HG3 GLN A 119 9.941 6.466 5.087 1.00 62.44 H new ATOM 0 HE21 GLN A 119 10.186 9.025 7.139 1.00 41.25 H new ATOM 0 HE22 GLN A 119 11.923 9.333 7.047 1.00 41.25 H new ATOM 1910 N THR A 120 7.887 8.803 1.110 1.00 53.12 N ATOM 1911 CA THR A 120 7.636 9.731 0.014 1.00 74.00 C ATOM 1912 C THR A 120 6.186 10.204 0.016 1.00 22.54 C ATOM 1913 O THR A 120 5.912 11.391 -0.148 1.00 14.54 O ATOM 1914 CB THR A 120 7.952 9.088 -1.350 1.00 10.33 C ATOM 1915 OG1 THR A 120 9.217 8.419 -1.295 1.00 3.53 O ATOM 1916 CG2 THR A 120 7.975 10.138 -2.450 1.00 4.41 C ATOM 0 H THR A 120 8.231 7.888 0.818 1.00 53.12 H new ATOM 0 HA THR A 120 8.295 10.586 0.166 1.00 74.00 H new ATOM 0 HB THR A 120 7.169 8.364 -1.576 1.00 10.33 H new ATOM 0 HG1 THR A 120 9.102 7.535 -0.887 1.00 3.53 H new ATOM 0 HG21 THR A 120 8.200 9.661 -3.404 1.00 4.41 H new ATOM 0 HG22 THR A 120 7.002 10.625 -2.509 1.00 4.41 H new ATOM 0 HG23 THR A 120 8.740 10.882 -2.227 1.00 4.41 H new ATOM 1924 N ALA A 121 5.263 9.267 0.204 1.00 73.21 N ATOM 1925 CA ALA A 121 3.842 9.589 0.230 1.00 0.11 C ATOM 1926 C ALA A 121 3.482 10.382 1.483 1.00 34.22 C ATOM 1927 O ALA A 121 2.512 11.139 1.490 1.00 3.42 O ATOM 1928 CB ALA A 121 3.010 8.317 0.151 1.00 60.11 C ATOM 0 H ALA A 121 5.474 8.278 0.341 1.00 73.21 H new ATOM 0 HA ALA A 121 3.620 10.209 -0.638 1.00 0.11 H new ATOM 0 HB1 ALA A 121 1.951 8.573 0.171 1.00 60.11 H new ATOM 0 HB2 ALA A 121 3.238 7.790 -0.775 1.00 60.11 H new ATOM 0 HB3 ALA A 121 3.245 7.675 1.000 1.00 60.11 H new ATOM 1934 N GLU A 122 4.267 10.199 2.540 1.00 43.13 N ATOM 1935 CA GLU A 122 4.029 10.897 3.797 1.00 3.42 C ATOM 1936 C GLU A 122 2.855 10.277 4.550 1.00 63.24 C ATOM 1937 O GLU A 122 2.094 10.976 5.220 1.00 31.24 O ATOM 1938 CB GLU A 122 3.757 12.381 3.540 1.00 21.42 C ATOM 1939 CG GLU A 122 4.012 13.265 4.749 1.00 62.24 C ATOM 1940 CD GLU A 122 4.143 14.731 4.383 1.00 72.43 C ATOM 1941 OE1 GLU A 122 3.261 15.243 3.662 1.00 51.51 O ATOM 1942 OE2 GLU A 122 5.126 15.365 4.818 1.00 63.30 O ATOM 0 H GLU A 122 5.073 9.574 2.550 1.00 43.13 H new ATOM 0 HA GLU A 122 4.925 10.800 4.411 1.00 3.42 H new ATOM 0 HB2 GLU A 122 4.384 12.719 2.715 1.00 21.42 H new ATOM 0 HB3 GLU A 122 2.721 12.502 3.224 1.00 21.42 H new ATOM 0 HG2 GLU A 122 3.196 13.144 5.461 1.00 62.24 H new ATOM 0 HG3 GLU A 122 4.923 12.936 5.249 1.00 62.24 H new ATOM 1949 N LEU A 123 2.713 8.961 4.432 1.00 42.32 N ATOM 1950 CA LEU A 123 1.632 8.246 5.100 1.00 23.30 C ATOM 1951 C LEU A 123 2.041 7.832 6.510 1.00 22.10 C ATOM 1952 O LEU A 123 2.942 7.011 6.691 1.00 12.12 O ATOM 1953 CB LEU A 123 1.235 7.011 4.289 1.00 35.24 C ATOM 1954 CG LEU A 123 1.012 7.232 2.792 1.00 0.42 C ATOM 1955 CD1 LEU A 123 1.379 5.983 2.007 1.00 52.21 C ATOM 1956 CD2 LEU A 123 -0.431 7.631 2.522 1.00 40.24 C ATOM 0 H LEU A 123 3.333 8.368 3.880 1.00 42.32 H new ATOM 0 HA LEU A 123 0.776 8.917 5.173 1.00 23.30 H new ATOM 0 HB2 LEU A 123 2.011 6.256 4.412 1.00 35.24 H new ATOM 0 HB3 LEU A 123 0.320 6.600 4.715 1.00 35.24 H new ATOM 0 HG LEU A 123 1.660 8.044 2.463 1.00 0.42 H new ATOM 0 HD11 LEU A 123 1.214 6.160 0.944 1.00 52.21 H new ATOM 0 HD12 LEU A 123 2.429 5.742 2.176 1.00 52.21 H new ATOM 0 HD13 LEU A 123 0.758 5.150 2.337 1.00 52.21 H new ATOM 0 HD21 LEU A 123 -0.572 7.784 1.452 1.00 40.24 H new ATOM 0 HD22 LEU A 123 -1.098 6.840 2.866 1.00 40.24 H new ATOM 0 HD23 LEU A 123 -0.659 8.555 3.054 1.00 40.24 H new ATOM 1968 N THR A 124 1.373 8.404 7.506 1.00 54.10 N ATOM 1969 CA THR A 124 1.667 8.095 8.900 1.00 35.01 C ATOM 1970 C THR A 124 1.321 6.647 9.226 1.00 71.43 C ATOM 1971 O THR A 124 2.125 5.924 9.816 1.00 12.10 O ATOM 1972 CB THR A 124 0.893 9.023 9.855 1.00 21.24 C ATOM 1973 OG1 THR A 124 1.488 10.325 9.863 1.00 41.14 O ATOM 1974 CG2 THR A 124 0.882 8.457 11.268 1.00 40.32 C ATOM 0 H THR A 124 0.624 9.084 7.374 1.00 54.10 H new ATOM 0 HA THR A 124 2.737 8.251 9.040 1.00 35.01 H new ATOM 0 HB THR A 124 -0.135 9.096 9.501 1.00 21.24 H new ATOM 0 HG1 THR A 124 0.989 10.909 10.471 1.00 41.14 H new ATOM 0 HG21 THR A 124 0.330 9.129 11.925 1.00 40.32 H new ATOM 0 HG22 THR A 124 0.402 7.478 11.264 1.00 40.32 H new ATOM 0 HG23 THR A 124 1.906 8.358 11.628 1.00 40.32 H new ATOM 1982 N LYS A 125 0.122 6.228 8.838 1.00 63.43 N ATOM 1983 CA LYS A 125 -0.329 4.864 9.086 1.00 35.20 C ATOM 1984 C LYS A 125 0.255 3.901 8.058 1.00 21.34 C ATOM 1985 O LYS A 125 0.105 4.098 6.852 1.00 34.23 O ATOM 1986 CB LYS A 125 -1.858 4.796 9.052 1.00 33.41 C ATOM 1987 CG LYS A 125 -2.524 5.491 10.226 1.00 11.53 C ATOM 1988 CD LYS A 125 -3.851 4.841 10.581 1.00 43.42 C ATOM 1989 CE LYS A 125 -4.809 5.839 11.212 1.00 32.32 C ATOM 1990 NZ LYS A 125 -4.917 5.649 12.686 1.00 53.15 N ATOM 0 H LYS A 125 -0.556 6.814 8.350 1.00 63.43 H new ATOM 0 HA LYS A 125 0.021 4.568 10.075 1.00 35.20 H new ATOM 0 HB2 LYS A 125 -2.213 5.247 8.125 1.00 33.41 H new ATOM 0 HB3 LYS A 125 -2.167 3.751 9.037 1.00 33.41 H new ATOM 0 HG2 LYS A 125 -1.861 5.462 11.091 1.00 11.53 H new ATOM 0 HG3 LYS A 125 -2.686 6.541 9.984 1.00 11.53 H new ATOM 0 HD2 LYS A 125 -4.303 4.419 9.683 1.00 43.42 H new ATOM 0 HD3 LYS A 125 -3.680 4.014 11.270 1.00 43.42 H new ATOM 0 HE2 LYS A 125 -4.469 6.853 11.000 1.00 32.32 H new ATOM 0 HE3 LYS A 125 -5.795 5.733 10.759 1.00 32.32 H new ATOM 0 HZ1 LYS A 125 -5.579 6.348 13.079 1.00 53.15 H new ATOM 0 HZ2 LYS A 125 -5.266 4.690 12.888 1.00 53.15 H new ATOM 0 HZ3 LYS A 125 -3.981 5.776 13.122 1.00 53.15 H new ATOM 2004 N VAL A 126 0.922 2.857 8.543 1.00 54.21 N ATOM 2005 CA VAL A 126 1.527 1.862 7.666 1.00 11.22 C ATOM 2006 C VAL A 126 1.232 0.448 8.154 1.00 41.11 C ATOM 2007 O VAL A 126 1.837 -0.027 9.115 1.00 0.21 O ATOM 2008 CB VAL A 126 3.052 2.053 7.569 1.00 32.23 C ATOM 2009 CG1 VAL A 126 3.685 0.912 6.787 1.00 72.33 C ATOM 2010 CG2 VAL A 126 3.382 3.394 6.932 1.00 61.42 C ATOM 0 H VAL A 126 1.056 2.679 9.538 1.00 54.21 H new ATOM 0 HA VAL A 126 1.088 2.001 6.678 1.00 11.22 H new ATOM 0 HB VAL A 126 3.466 2.044 8.577 1.00 32.23 H new ATOM 0 HG11 VAL A 126 4.763 1.065 6.729 1.00 72.33 H new ATOM 0 HG12 VAL A 126 3.479 -0.033 7.290 1.00 72.33 H new ATOM 0 HG13 VAL A 126 3.268 0.885 5.780 1.00 72.33 H new ATOM 0 HG21 VAL A 126 4.464 3.512 6.872 1.00 61.42 H new ATOM 0 HG22 VAL A 126 2.956 3.435 5.930 1.00 61.42 H new ATOM 0 HG23 VAL A 126 2.963 4.197 7.538 1.00 61.42 H new ATOM 2020 N PHE A 127 0.300 -0.221 7.484 1.00 34.01 N ATOM 2021 CA PHE A 127 -0.077 -1.581 7.849 1.00 23.51 C ATOM 2022 C PHE A 127 0.653 -2.600 6.978 1.00 61.13 C ATOM 2023 O PHE A 127 1.169 -2.263 5.913 1.00 73.02 O ATOM 2024 CB PHE A 127 -1.590 -1.769 7.715 1.00 64.02 C ATOM 2025 CG PHE A 127 -2.390 -0.724 8.438 1.00 4.11 C ATOM 2026 CD1 PHE A 127 -1.907 -0.144 9.600 1.00 10.51 C ATOM 2027 CD2 PHE A 127 -3.624 -0.321 7.955 1.00 51.50 C ATOM 2028 CE1 PHE A 127 -2.641 0.819 10.267 1.00 24.34 C ATOM 2029 CE2 PHE A 127 -4.362 0.641 8.618 1.00 42.34 C ATOM 2030 CZ PHE A 127 -3.871 1.211 9.776 1.00 63.32 C ATOM 0 H PHE A 127 -0.208 0.157 6.685 1.00 34.01 H new ATOM 0 HA PHE A 127 0.211 -1.744 8.888 1.00 23.51 H new ATOM 0 HB2 PHE A 127 -1.858 -1.754 6.659 1.00 64.02 H new ATOM 0 HB3 PHE A 127 -1.861 -2.753 8.098 1.00 64.02 H new ATOM 0 HD1 PHE A 127 -0.946 -0.448 9.989 1.00 10.51 H new ATOM 0 HD2 PHE A 127 -4.014 -0.764 7.050 1.00 51.50 H new ATOM 0 HE1 PHE A 127 -2.253 1.264 11.171 1.00 24.34 H new ATOM 0 HE2 PHE A 127 -5.323 0.947 8.231 1.00 42.34 H new ATOM 0 HZ PHE A 127 -4.447 1.962 10.296 1.00 63.32 H new ATOM 2040 N GLU A 128 0.691 -3.846 7.441 1.00 61.13 N ATOM 2041 CA GLU A 128 1.359 -4.912 6.704 1.00 71.23 C ATOM 2042 C GLU A 128 0.533 -6.196 6.737 1.00 44.20 C ATOM 2043 O GLU A 128 0.218 -6.716 7.808 1.00 42.54 O ATOM 2044 CB GLU A 128 2.749 -5.172 7.288 1.00 65.43 C ATOM 2045 CG GLU A 128 3.597 -6.112 6.446 1.00 51.03 C ATOM 2046 CD GLU A 128 3.474 -7.559 6.882 1.00 5.25 C ATOM 2047 OE1 GLU A 128 2.357 -8.109 6.801 1.00 13.05 O ATOM 2048 OE2 GLU A 128 4.495 -8.140 7.305 1.00 1.22 O ATOM 0 H GLU A 128 0.268 -4.141 8.321 1.00 61.13 H new ATOM 0 HA GLU A 128 1.462 -4.593 5.667 1.00 71.23 H new ATOM 0 HB2 GLU A 128 3.272 -4.222 7.395 1.00 65.43 H new ATOM 0 HB3 GLU A 128 2.641 -5.591 8.288 1.00 65.43 H new ATOM 0 HG2 GLU A 128 3.300 -6.025 5.401 1.00 51.03 H new ATOM 0 HG3 GLU A 128 4.641 -5.806 6.507 1.00 51.03 H new ATOM 2055 N ILE A 129 0.187 -6.699 5.557 1.00 14.02 N ATOM 2056 CA ILE A 129 -0.602 -7.921 5.451 1.00 54.31 C ATOM 2057 C ILE A 129 0.283 -9.119 5.120 1.00 15.33 C ATOM 2058 O ILE A 129 1.140 -9.045 4.240 1.00 44.11 O ATOM 2059 CB ILE A 129 -1.697 -7.792 4.375 1.00 22.12 C ATOM 2060 CG1 ILE A 129 -1.150 -7.066 3.144 1.00 72.52 C ATOM 2061 CG2 ILE A 129 -2.906 -7.059 4.935 1.00 10.35 C ATOM 2062 CD1 ILE A 129 -1.994 -7.260 1.904 1.00 65.13 C ATOM 0 H ILE A 129 0.440 -6.280 4.662 1.00 14.02 H new ATOM 0 HA ILE A 129 -1.074 -8.078 6.421 1.00 54.31 H new ATOM 0 HB ILE A 129 -2.010 -8.792 4.075 1.00 22.12 H new ATOM 0 HG12 ILE A 129 -1.079 -6.000 3.362 1.00 72.52 H new ATOM 0 HG13 ILE A 129 -0.138 -7.419 2.944 1.00 72.52 H new ATOM 0 HG21 ILE A 129 -3.671 -6.976 4.163 1.00 10.35 H new ATOM 0 HG22 ILE A 129 -3.306 -7.613 5.784 1.00 10.35 H new ATOM 0 HG23 ILE A 129 -2.609 -6.062 5.260 1.00 10.35 H new ATOM 0 HD11 ILE A 129 -1.547 -6.718 1.071 1.00 65.13 H new ATOM 0 HD12 ILE A 129 -2.045 -8.321 1.661 1.00 65.13 H new ATOM 0 HD13 ILE A 129 -3.000 -6.881 2.086 1.00 65.13 H new ATOM 2074 N ARG A 130 0.065 -10.221 5.830 1.00 2.40 N ATOM 2075 CA ARG A 130 0.842 -11.435 5.611 1.00 52.11 C ATOM 2076 C ARG A 130 0.278 -12.238 4.442 1.00 21.41 C ATOM 2077 O ARG A 130 0.885 -13.210 3.991 1.00 24.24 O ATOM 2078 CB ARG A 130 0.852 -12.295 6.877 1.00 0.32 C ATOM 2079 CG ARG A 130 1.908 -13.387 6.863 1.00 2.23 C ATOM 2080 CD ARG A 130 3.239 -12.882 7.396 1.00 44.31 C ATOM 2081 NE ARG A 130 3.399 -13.159 8.820 1.00 25.12 N ATOM 2082 CZ ARG A 130 3.780 -14.338 9.301 1.00 34.14 C ATOM 2083 NH1 ARG A 130 4.036 -15.343 8.476 1.00 44.43 N ATOM 2084 NH2 ARG A 130 3.903 -14.513 10.611 1.00 31.04 N ATOM 0 H ARG A 130 -0.642 -10.298 6.561 1.00 2.40 H new ATOM 0 HA ARG A 130 1.864 -11.144 5.370 1.00 52.11 H new ATOM 0 HB2 ARG A 130 1.018 -11.652 7.741 1.00 0.32 H new ATOM 0 HB3 ARG A 130 -0.129 -12.752 7.003 1.00 0.32 H new ATOM 0 HG2 ARG A 130 1.570 -14.230 7.466 1.00 2.23 H new ATOM 0 HG3 ARG A 130 2.039 -13.755 5.845 1.00 2.23 H new ATOM 0 HD2 ARG A 130 4.052 -13.350 6.842 1.00 44.31 H new ATOM 0 HD3 ARG A 130 3.314 -11.808 7.225 1.00 44.31 H new ATOM 0 HE ARG A 130 3.208 -12.407 9.482 1.00 25.12 H new ATOM 0 HH11 ARG A 130 3.941 -15.213 7.469 1.00 44.43 H new ATOM 0 HH12 ARG A 130 4.328 -16.247 8.848 1.00 44.43 H new ATOM 0 HH21 ARG A 130 3.705 -13.742 11.249 1.00 31.04 H new ATOM 0 HH22 ARG A 130 4.195 -15.418 10.979 1.00 31.04 H new ATOM 2098 N THR A 131 -0.888 -11.825 3.956 1.00 61.51 N ATOM 2099 CA THR A 131 -1.535 -12.507 2.841 1.00 21.21 C ATOM 2100 C THR A 131 -2.749 -11.726 2.350 1.00 73.31 C ATOM 2101 O THR A 131 -3.459 -11.100 3.139 1.00 65.42 O ATOM 2102 CB THR A 131 -1.977 -13.930 3.233 1.00 41.13 C ATOM 2103 OG1 THR A 131 -2.589 -14.578 2.112 1.00 2.42 O ATOM 2104 CG2 THR A 131 -2.953 -13.892 4.399 1.00 50.11 C ATOM 0 H THR A 131 -1.404 -11.022 4.316 1.00 61.51 H new ATOM 0 HA THR A 131 -0.799 -12.572 2.039 1.00 21.21 H new ATOM 0 HB THR A 131 -1.093 -14.490 3.539 1.00 41.13 H new ATOM 0 HG1 THR A 131 -2.866 -15.483 2.368 1.00 2.42 H new ATOM 0 HG21 THR A 131 -3.251 -14.908 4.658 1.00 50.11 H new ATOM 0 HG22 THR A 131 -2.474 -13.424 5.259 1.00 50.11 H new ATOM 0 HG23 THR A 131 -3.835 -13.316 4.117 1.00 50.11 H new ATOM 2112 N THR A 132 -2.985 -11.769 1.043 1.00 41.34 N ATOM 2113 CA THR A 132 -4.113 -11.066 0.447 1.00 71.23 C ATOM 2114 C THR A 132 -5.389 -11.290 1.251 1.00 63.53 C ATOM 2115 O THR A 132 -6.159 -10.359 1.484 1.00 4.31 O ATOM 2116 CB THR A 132 -4.351 -11.516 -1.008 1.00 14.13 C ATOM 2117 OG1 THR A 132 -4.426 -12.945 -1.072 1.00 3.14 O ATOM 2118 CG2 THR A 132 -3.238 -11.019 -1.917 1.00 72.14 C ATOM 0 H THR A 132 -2.409 -12.284 0.377 1.00 41.34 H new ATOM 0 HA THR A 132 -3.863 -10.005 0.456 1.00 71.23 H new ATOM 0 HB THR A 132 -5.294 -11.088 -1.349 1.00 14.13 H new ATOM 0 HG1 THR A 132 -4.579 -13.223 -1.999 1.00 3.14 H new ATOM 0 HG21 THR A 132 -3.428 -11.349 -2.938 1.00 72.14 H new ATOM 0 HG22 THR A 132 -3.204 -9.930 -1.888 1.00 72.14 H new ATOM 0 HG23 THR A 132 -2.284 -11.421 -1.577 1.00 72.14 H new ATOM 2126 N ASP A 133 -5.605 -12.530 1.674 1.00 65.20 N ATOM 2127 CA ASP A 133 -6.786 -12.877 2.456 1.00 52.23 C ATOM 2128 C ASP A 133 -7.008 -11.871 3.580 1.00 1.25 C ATOM 2129 O ASP A 133 -8.145 -11.524 3.901 1.00 21.35 O ATOM 2130 CB ASP A 133 -6.646 -14.286 3.035 1.00 52.04 C ATOM 2131 CG ASP A 133 -7.649 -15.257 2.443 1.00 64.42 C ATOM 2132 OD1 ASP A 133 -8.858 -14.944 2.454 1.00 5.41 O ATOM 2133 OD2 ASP A 133 -7.224 -16.331 1.968 1.00 63.34 O ATOM 0 H ASP A 133 -4.977 -13.312 1.489 1.00 65.20 H new ATOM 0 HA ASP A 133 -7.651 -12.850 1.793 1.00 52.23 H new ATOM 0 HB2 ASP A 133 -5.636 -14.653 2.850 1.00 52.04 H new ATOM 0 HB3 ASP A 133 -6.778 -14.246 4.116 1.00 52.04 H new ATOM 2138 N ASP A 134 -5.915 -11.407 4.176 1.00 42.31 N ATOM 2139 CA ASP A 134 -5.989 -10.440 5.266 1.00 35.44 C ATOM 2140 C ASP A 134 -6.825 -9.230 4.862 1.00 1.44 C ATOM 2141 O ASP A 134 -7.830 -8.915 5.501 1.00 44.40 O ATOM 2142 CB ASP A 134 -4.586 -9.993 5.677 1.00 71.42 C ATOM 2143 CG ASP A 134 -3.768 -11.124 6.271 1.00 72.33 C ATOM 2144 OD1 ASP A 134 -4.371 -12.045 6.861 1.00 3.10 O ATOM 2145 OD2 ASP A 134 -2.526 -11.087 6.146 1.00 11.13 O ATOM 0 H ASP A 134 -4.967 -11.685 3.923 1.00 42.31 H new ATOM 0 HA ASP A 134 -6.470 -10.924 6.116 1.00 35.44 H new ATOM 0 HB2 ASP A 134 -4.067 -9.591 4.807 1.00 71.42 H new ATOM 0 HB3 ASP A 134 -4.664 -9.184 6.404 1.00 71.42 H new ATOM 2150 N LEU A 135 -6.402 -8.555 3.799 1.00 15.51 N ATOM 2151 CA LEU A 135 -7.111 -7.377 3.310 1.00 52.24 C ATOM 2152 C LEU A 135 -8.615 -7.627 3.260 1.00 32.41 C ATOM 2153 O LEU A 135 -9.134 -8.171 2.284 1.00 24.51 O ATOM 2154 CB LEU A 135 -6.600 -6.990 1.921 1.00 74.51 C ATOM 2155 CG LEU A 135 -7.430 -5.951 1.165 1.00 5.34 C ATOM 2156 CD1 LEU A 135 -7.840 -4.819 2.094 1.00 4.24 C ATOM 2157 CD2 LEU A 135 -6.652 -5.412 -0.026 1.00 1.42 C ATOM 0 H LEU A 135 -5.573 -8.803 3.259 1.00 15.51 H new ATOM 0 HA LEU A 135 -6.921 -6.556 4.002 1.00 52.24 H new ATOM 0 HB2 LEU A 135 -5.584 -6.609 2.023 1.00 74.51 H new ATOM 0 HB3 LEU A 135 -6.543 -7.893 1.312 1.00 74.51 H new ATOM 0 HG LEU A 135 -8.334 -6.434 0.794 1.00 5.34 H new ATOM 0 HD11 LEU A 135 -8.430 -4.089 1.540 1.00 4.24 H new ATOM 0 HD12 LEU A 135 -8.436 -5.219 2.914 1.00 4.24 H new ATOM 0 HD13 LEU A 135 -6.949 -4.336 2.495 1.00 4.24 H new ATOM 0 HD21 LEU A 135 -7.257 -4.674 -0.552 1.00 1.42 H new ATOM 0 HD22 LEU A 135 -5.731 -4.944 0.322 1.00 1.42 H new ATOM 0 HD23 LEU A 135 -6.409 -6.231 -0.703 1.00 1.42 H new ATOM 2169 N THR A 136 -9.312 -7.225 4.319 1.00 72.55 N ATOM 2170 CA THR A 136 -10.757 -7.406 4.395 1.00 42.11 C ATOM 2171 C THR A 136 -11.443 -6.136 4.887 1.00 71.31 C ATOM 2172 O THR A 136 -10.902 -5.411 5.720 1.00 41.41 O ATOM 2173 CB THR A 136 -11.129 -8.572 5.330 1.00 64.24 C ATOM 2174 OG1 THR A 136 -10.154 -8.694 6.372 1.00 21.44 O ATOM 2175 CG2 THR A 136 -11.217 -9.879 4.556 1.00 31.02 C ATOM 0 H THR A 136 -8.900 -6.772 5.135 1.00 72.55 H new ATOM 0 HA THR A 136 -11.101 -7.636 3.387 1.00 42.11 H new ATOM 0 HB THR A 136 -12.104 -8.361 5.768 1.00 64.24 H new ATOM 0 HG1 THR A 136 -9.378 -9.190 6.037 1.00 21.44 H new ATOM 0 HG21 THR A 136 -11.481 -10.688 5.237 1.00 31.02 H new ATOM 0 HG22 THR A 136 -11.980 -9.793 3.782 1.00 31.02 H new ATOM 0 HG23 THR A 136 -10.254 -10.094 4.094 1.00 31.02 H new ATOM 2183 N GLU A 137 -12.639 -5.876 4.366 1.00 4.01 N ATOM 2184 CA GLU A 137 -13.398 -4.694 4.753 1.00 54.13 C ATOM 2185 C GLU A 137 -13.275 -4.434 6.252 1.00 41.13 C ATOM 2186 O GLU A 137 -13.045 -3.303 6.681 1.00 25.01 O ATOM 2187 CB GLU A 137 -14.871 -4.860 4.372 1.00 40.40 C ATOM 2188 CG GLU A 137 -15.715 -3.628 4.655 1.00 33.23 C ATOM 2189 CD GLU A 137 -17.173 -3.964 4.905 1.00 3.03 C ATOM 2190 OE1 GLU A 137 -17.834 -4.461 3.970 1.00 71.32 O ATOM 2191 OE2 GLU A 137 -17.651 -3.731 6.034 1.00 5.12 O ATOM 0 H GLU A 137 -13.102 -6.468 3.676 1.00 4.01 H new ATOM 0 HA GLU A 137 -12.986 -3.838 4.219 1.00 54.13 H new ATOM 0 HB2 GLU A 137 -14.938 -5.100 3.311 1.00 40.40 H new ATOM 0 HB3 GLU A 137 -15.286 -5.707 4.918 1.00 40.40 H new ATOM 0 HG2 GLU A 137 -15.312 -3.108 5.524 1.00 33.23 H new ATOM 0 HG3 GLU A 137 -15.644 -2.942 3.811 1.00 33.23 H new ATOM 2198 N THR A 138 -13.430 -5.491 7.044 1.00 14.35 N ATOM 2199 CA THR A 138 -13.339 -5.378 8.494 1.00 11.24 C ATOM 2200 C THR A 138 -11.909 -5.087 8.934 1.00 54.24 C ATOM 2201 O THR A 138 -11.627 -4.033 9.505 1.00 55.41 O ATOM 2202 CB THR A 138 -13.826 -6.664 9.189 1.00 40.23 C ATOM 2203 OG1 THR A 138 -15.054 -7.105 8.600 1.00 43.33 O ATOM 2204 CG2 THR A 138 -14.026 -6.431 10.679 1.00 14.31 C ATOM 0 H THR A 138 -13.619 -6.434 6.705 1.00 14.35 H new ATOM 0 HA THR A 138 -13.983 -4.549 8.788 1.00 11.24 H new ATOM 0 HB THR A 138 -13.065 -7.433 9.057 1.00 40.23 H new ATOM 0 HG1 THR A 138 -15.355 -7.924 9.046 1.00 43.33 H new ATOM 0 HG21 THR A 138 -14.370 -7.353 11.148 1.00 14.31 H new ATOM 0 HG22 THR A 138 -13.082 -6.125 11.129 1.00 14.31 H new ATOM 0 HG23 THR A 138 -14.770 -5.648 10.828 1.00 14.31 H new ATOM 2212 N TRP A 139 -11.010 -6.025 8.664 1.00 64.15 N ATOM 2213 CA TRP A 139 -9.607 -5.867 9.031 1.00 22.52 C ATOM 2214 C TRP A 139 -9.128 -4.446 8.757 1.00 33.20 C ATOM 2215 O TRP A 139 -8.184 -3.966 9.385 1.00 1.05 O ATOM 2216 CB TRP A 139 -8.741 -6.868 8.263 1.00 73.11 C ATOM 2217 CG TRP A 139 -7.286 -6.509 8.254 1.00 64.43 C ATOM 2218 CD1 TRP A 139 -6.323 -6.973 9.104 1.00 1.21 C ATOM 2219 CD2 TRP A 139 -6.630 -5.613 7.352 1.00 41.44 C ATOM 2220 NE1 TRP A 139 -5.107 -6.417 8.785 1.00 53.12 N ATOM 2221 CE2 TRP A 139 -5.269 -5.579 7.713 1.00 51.14 C ATOM 2222 CE3 TRP A 139 -7.060 -4.834 6.272 1.00 24.42 C ATOM 2223 CZ2 TRP A 139 -4.338 -4.798 7.033 1.00 21.10 C ATOM 2224 CZ3 TRP A 139 -6.134 -4.060 5.600 1.00 52.31 C ATOM 2225 CH2 TRP A 139 -4.786 -4.047 5.981 1.00 4.23 C ATOM 0 H TRP A 139 -11.226 -6.903 8.192 1.00 64.15 H new ATOM 0 HA TRP A 139 -9.514 -6.061 10.099 1.00 22.52 H new ATOM 0 HB2 TRP A 139 -8.861 -7.857 8.706 1.00 73.11 H new ATOM 0 HB3 TRP A 139 -9.098 -6.933 7.235 1.00 73.11 H new ATOM 0 HD1 TRP A 139 -6.492 -7.674 9.908 1.00 1.21 H new ATOM 0 HE1 TRP A 139 -4.227 -6.599 9.268 1.00 53.12 H new ATOM 0 HE3 TRP A 139 -8.097 -4.838 5.969 1.00 24.42 H new ATOM 0 HZ2 TRP A 139 -3.299 -4.786 7.326 1.00 21.10 H new ATOM 0 HZ3 TRP A 139 -6.455 -3.454 4.766 1.00 52.31 H new ATOM 0 HH2 TRP A 139 -4.087 -3.432 5.434 1.00 4.23 H new ATOM 2236 N LEU A 140 -9.784 -3.778 7.815 1.00 13.23 N ATOM 2237 CA LEU A 140 -9.425 -2.409 7.458 1.00 74.13 C ATOM 2238 C LEU A 140 -10.114 -1.408 8.379 1.00 4.23 C ATOM 2239 O LEU A 140 -9.460 -0.709 9.155 1.00 73.44 O ATOM 2240 CB LEU A 140 -9.805 -2.126 6.004 1.00 45.15 C ATOM 2241 CG LEU A 140 -9.789 -0.656 5.581 1.00 75.44 C ATOM 2242 CD1 LEU A 140 -8.499 0.014 6.028 1.00 54.41 C ATOM 2243 CD2 LEU A 140 -9.961 -0.533 4.073 1.00 13.31 C ATOM 0 H LEU A 140 -10.567 -4.161 7.285 1.00 13.23 H new ATOM 0 HA LEU A 140 -8.347 -2.299 7.574 1.00 74.13 H new ATOM 0 HB2 LEU A 140 -9.123 -2.677 5.357 1.00 45.15 H new ATOM 0 HB3 LEU A 140 -10.804 -2.524 5.826 1.00 45.15 H new ATOM 0 HG LEU A 140 -10.624 -0.149 6.065 1.00 75.44 H new ATOM 0 HD11 LEU A 140 -8.506 1.059 5.718 1.00 54.41 H new ATOM 0 HD12 LEU A 140 -8.417 -0.042 7.113 1.00 54.41 H new ATOM 0 HD13 LEU A 140 -7.649 -0.494 5.573 1.00 54.41 H new ATOM 0 HD21 LEU A 140 -9.947 0.519 3.790 1.00 13.31 H new ATOM 0 HD22 LEU A 140 -9.147 -1.055 3.570 1.00 13.31 H new ATOM 0 HD23 LEU A 140 -10.912 -0.976 3.778 1.00 13.31 H new ATOM 2255 N LYS A 141 -11.439 -1.343 8.292 1.00 64.32 N ATOM 2256 CA LYS A 141 -12.217 -0.430 9.119 1.00 1.31 C ATOM 2257 C LYS A 141 -11.845 -0.577 10.591 1.00 24.45 C ATOM 2258 O LYS A 141 -12.107 0.312 11.399 1.00 53.22 O ATOM 2259 CB LYS A 141 -13.714 -0.691 8.933 1.00 0.51 C ATOM 2260 CG LYS A 141 -14.363 0.211 7.897 1.00 2.44 C ATOM 2261 CD LYS A 141 -15.477 -0.507 7.153 1.00 2.52 C ATOM 2262 CE LYS A 141 -16.847 -0.091 7.665 1.00 61.32 C ATOM 2263 NZ LYS A 141 -17.394 -1.072 8.644 1.00 52.53 N ATOM 0 H LYS A 141 -11.996 -1.913 7.656 1.00 64.32 H new ATOM 0 HA LYS A 141 -11.989 0.588 8.805 1.00 1.31 H new ATOM 0 HB2 LYS A 141 -13.860 -1.731 8.640 1.00 0.51 H new ATOM 0 HB3 LYS A 141 -14.220 -0.555 9.889 1.00 0.51 H new ATOM 0 HG2 LYS A 141 -14.764 1.099 8.386 1.00 2.44 H new ATOM 0 HG3 LYS A 141 -13.610 0.551 7.186 1.00 2.44 H new ATOM 0 HD2 LYS A 141 -15.404 -0.289 6.088 1.00 2.52 H new ATOM 0 HD3 LYS A 141 -15.357 -1.584 7.267 1.00 2.52 H new ATOM 0 HE2 LYS A 141 -16.777 0.890 8.134 1.00 61.32 H new ATOM 0 HE3 LYS A 141 -17.535 0.006 6.825 1.00 61.32 H new ATOM 0 HZ1 LYS A 141 -18.329 -0.753 8.970 1.00 52.53 H new ATOM 0 HZ2 LYS A 141 -17.485 -2.003 8.189 1.00 52.53 H new ATOM 0 HZ3 LYS A 141 -16.751 -1.146 9.458 1.00 52.53 H new ATOM 2277 N GLU A 142 -11.231 -1.706 10.932 1.00 63.14 N ATOM 2278 CA GLU A 142 -10.821 -1.968 12.306 1.00 33.34 C ATOM 2279 C GLU A 142 -9.705 -1.019 12.732 1.00 74.30 C ATOM 2280 O GLU A 142 -9.818 -0.323 13.741 1.00 42.23 O ATOM 2281 CB GLU A 142 -10.358 -3.419 12.456 1.00 12.32 C ATOM 2282 CG GLU A 142 -11.487 -4.391 12.755 1.00 70.11 C ATOM 2283 CD GLU A 142 -11.012 -5.627 13.494 1.00 14.11 C ATOM 2284 OE1 GLU A 142 -9.868 -6.062 13.248 1.00 53.11 O ATOM 2285 OE2 GLU A 142 -11.785 -6.159 14.319 1.00 23.33 O ATOM 0 H GLU A 142 -11.007 -2.453 10.275 1.00 63.14 H new ATOM 0 HA GLU A 142 -11.682 -1.801 12.953 1.00 33.34 H new ATOM 0 HB2 GLU A 142 -9.857 -3.728 11.539 1.00 12.32 H new ATOM 0 HB3 GLU A 142 -9.620 -3.475 13.256 1.00 12.32 H new ATOM 0 HG2 GLU A 142 -12.248 -3.886 13.350 1.00 70.11 H new ATOM 0 HG3 GLU A 142 -11.961 -4.691 11.820 1.00 70.11 H new ATOM 2292 N LYS A 143 -8.627 -0.999 11.956 1.00 3.12 N ATOM 2293 CA LYS A 143 -7.488 -0.136 12.251 1.00 50.33 C ATOM 2294 C LYS A 143 -7.889 1.334 12.184 1.00 4.55 C ATOM 2295 O LYS A 143 -7.431 2.151 12.986 1.00 63.51 O ATOM 2296 CB LYS A 143 -6.347 -0.409 11.269 1.00 61.22 C ATOM 2297 CG LYS A 143 -6.001 -1.882 11.134 1.00 62.14 C ATOM 2298 CD LYS A 143 -4.574 -2.162 11.575 1.00 12.02 C ATOM 2299 CE LYS A 143 -3.909 -3.201 10.685 1.00 0.13 C ATOM 2300 NZ LYS A 143 -2.433 -3.229 10.874 1.00 23.10 N ATOM 0 H LYS A 143 -8.517 -1.570 11.118 1.00 3.12 H new ATOM 0 HA LYS A 143 -7.149 -0.357 13.263 1.00 50.33 H new ATOM 0 HB2 LYS A 143 -6.620 -0.017 10.289 1.00 61.22 H new ATOM 0 HB3 LYS A 143 -5.461 0.136 11.594 1.00 61.22 H new ATOM 0 HG2 LYS A 143 -6.691 -2.475 11.734 1.00 62.14 H new ATOM 0 HG3 LYS A 143 -6.130 -2.194 10.098 1.00 62.14 H new ATOM 0 HD2 LYS A 143 -3.997 -1.238 11.551 1.00 12.02 H new ATOM 0 HD3 LYS A 143 -4.573 -2.512 12.607 1.00 12.02 H new ATOM 0 HE2 LYS A 143 -4.322 -4.185 10.905 1.00 0.13 H new ATOM 0 HE3 LYS A 143 -4.138 -2.985 9.641 1.00 0.13 H new ATOM 0 HZ1 LYS A 143 -2.030 -4.026 10.341 1.00 23.10 H new ATOM 0 HZ2 LYS A 143 -2.022 -2.338 10.529 1.00 23.10 H new ATOM 0 HZ3 LYS A 143 -2.214 -3.342 11.884 1.00 23.10 H new ATOM 2314 N LEU A 144 -8.746 1.667 11.226 1.00 74.43 N ATOM 2315 CA LEU A 144 -9.210 3.039 11.056 1.00 14.11 C ATOM 2316 C LEU A 144 -10.051 3.481 12.249 1.00 12.11 C ATOM 2317 O LEU A 144 -9.843 4.561 12.802 1.00 62.02 O ATOM 2318 CB LEU A 144 -10.025 3.167 9.767 1.00 2.51 C ATOM 2319 CG LEU A 144 -9.411 2.534 8.519 1.00 5.31 C ATOM 2320 CD1 LEU A 144 -10.353 2.668 7.333 1.00 43.30 C ATOM 2321 CD2 LEU A 144 -8.063 3.169 8.207 1.00 70.35 C ATOM 0 H LEU A 144 -9.134 1.005 10.554 1.00 74.43 H new ATOM 0 HA LEU A 144 -8.336 3.687 10.991 1.00 14.11 H new ATOM 0 HB2 LEU A 144 -11.004 2.717 9.934 1.00 2.51 H new ATOM 0 HB3 LEU A 144 -10.190 4.226 9.569 1.00 2.51 H new ATOM 0 HG LEU A 144 -9.254 1.473 8.713 1.00 5.31 H new ATOM 0 HD11 LEU A 144 -9.898 2.211 6.454 1.00 43.30 H new ATOM 0 HD12 LEU A 144 -11.294 2.166 7.557 1.00 43.30 H new ATOM 0 HD13 LEU A 144 -10.543 3.723 7.137 1.00 43.30 H new ATOM 0 HD21 LEU A 144 -7.640 2.706 7.315 1.00 70.35 H new ATOM 0 HD22 LEU A 144 -8.195 4.237 8.033 1.00 70.35 H new ATOM 0 HD23 LEU A 144 -7.387 3.019 9.049 1.00 70.35 H new ATOM 2333 N ALA A 145 -11.001 2.639 12.642 1.00 43.34 N ATOM 2334 CA ALA A 145 -11.870 2.941 13.772 1.00 74.10 C ATOM 2335 C ALA A 145 -11.121 3.718 14.849 1.00 53.32 C ATOM 2336 O ALA A 145 -11.392 4.897 15.079 1.00 74.10 O ATOM 2337 CB ALA A 145 -12.449 1.658 14.350 1.00 10.21 C ATOM 0 H ALA A 145 -11.188 1.742 12.194 1.00 43.34 H new ATOM 0 HA ALA A 145 -12.687 3.566 13.413 1.00 74.10 H new ATOM 0 HB1 ALA A 145 -13.096 1.899 15.193 1.00 10.21 H new ATOM 0 HB2 ALA A 145 -13.028 1.143 13.584 1.00 10.21 H new ATOM 0 HB3 ALA A 145 -11.638 1.013 14.687 1.00 10.21 H new ATOM 2343 N SER A 146 -10.178 3.050 15.506 1.00 52.44 N ATOM 2344 CA SER A 146 -9.393 3.678 16.562 1.00 41.24 C ATOM 2345 C SER A 146 -8.245 2.772 16.996 1.00 3.22 C ATOM 2346 O SER A 146 -7.912 2.695 18.178 1.00 14.12 O ATOM 2347 CB SER A 146 -10.282 4.004 17.764 1.00 71.24 C ATOM 2348 OG SER A 146 -9.905 5.233 18.360 1.00 71.45 O ATOM 0 H SER A 146 -9.939 2.075 15.326 1.00 52.44 H new ATOM 0 HA SER A 146 -8.974 4.604 16.168 1.00 41.24 H new ATOM 0 HB2 SER A 146 -11.324 4.055 17.447 1.00 71.24 H new ATOM 0 HB3 SER A 146 -10.212 3.203 18.500 1.00 71.24 H new ATOM 0 HG SER A 146 -10.489 5.419 19.124 1.00 71.45 H new ATOM 2354 N GLY A 147 -7.640 2.088 16.029 1.00 52.11 N ATOM 2355 CA GLY A 147 -6.535 1.197 16.329 1.00 35.24 C ATOM 2356 C GLY A 147 -6.996 -0.217 16.627 1.00 11.34 C ATOM 2357 O GLY A 147 -8.067 -0.438 17.193 1.00 45.52 O ATOM 0 H GLY A 147 -7.896 2.136 15.043 1.00 52.11 H new ATOM 0 HA2 GLY A 147 -5.845 1.181 15.485 1.00 35.24 H new ATOM 0 HA3 GLY A 147 -5.982 1.584 17.185 1.00 35.24 H new ATOM 2361 N PRO A 148 -6.174 -1.204 16.241 1.00 74.32 N ATOM 2362 CA PRO A 148 -6.483 -2.621 16.458 1.00 3.34 C ATOM 2363 C PRO A 148 -6.415 -3.009 17.932 1.00 40.12 C ATOM 2364 O PRO A 148 -6.274 -2.151 18.803 1.00 22.30 O ATOM 2365 CB PRO A 148 -5.395 -3.347 15.663 1.00 3.43 C ATOM 2366 CG PRO A 148 -4.261 -2.383 15.606 1.00 51.03 C ATOM 2367 CD PRO A 148 -4.882 -1.015 15.561 1.00 11.42 C ATOM 0 HA PRO A 148 -7.497 -2.870 16.145 1.00 3.34 H new ATOM 0 HB2 PRO A 148 -5.101 -4.276 16.152 1.00 3.43 H new ATOM 0 HB3 PRO A 148 -5.743 -3.609 14.664 1.00 3.43 H new ATOM 0 HG2 PRO A 148 -3.614 -2.489 16.477 1.00 51.03 H new ATOM 0 HG3 PRO A 148 -3.642 -2.560 14.726 1.00 51.03 H new ATOM 0 HD2 PRO A 148 -4.264 -0.276 16.071 1.00 11.42 H new ATOM 0 HD3 PRO A 148 -5.014 -0.667 14.536 1.00 11.42 H new ATOM 2375 N SER A 149 -6.518 -4.306 18.203 1.00 65.44 N ATOM 2376 CA SER A 149 -6.471 -4.807 19.571 1.00 70.34 C ATOM 2377 C SER A 149 -5.032 -5.061 20.008 1.00 4.41 C ATOM 2378 O SER A 149 -4.273 -5.743 19.319 1.00 53.35 O ATOM 2379 CB SER A 149 -7.288 -6.095 19.693 1.00 51.30 C ATOM 2380 OG SER A 149 -7.292 -6.573 21.027 1.00 0.24 O ATOM 0 H SER A 149 -6.635 -5.029 17.493 1.00 65.44 H new ATOM 0 HA SER A 149 -6.902 -4.048 20.224 1.00 70.34 H new ATOM 0 HB2 SER A 149 -8.312 -5.912 19.366 1.00 51.30 H new ATOM 0 HB3 SER A 149 -6.873 -6.856 19.032 1.00 51.30 H new ATOM 0 HG SER A 149 -7.822 -7.396 21.078 1.00 0.24 H new ATOM 2386 N SER A 150 -4.663 -4.507 21.159 1.00 71.53 N ATOM 2387 CA SER A 150 -3.314 -4.670 21.688 1.00 45.12 C ATOM 2388 C SER A 150 -3.231 -4.172 23.128 1.00 21.21 C ATOM 2389 O SER A 150 -2.979 -2.994 23.376 1.00 72.23 O ATOM 2390 CB SER A 150 -2.308 -3.914 20.817 1.00 62.54 C ATOM 2391 OG SER A 150 -1.042 -4.551 20.831 1.00 32.13 O ATOM 0 H SER A 150 -5.279 -3.942 21.743 1.00 71.53 H new ATOM 0 HA SER A 150 -3.071 -5.732 21.675 1.00 45.12 H new ATOM 0 HB2 SER A 150 -2.679 -3.857 19.794 1.00 62.54 H new ATOM 0 HB3 SER A 150 -2.208 -2.890 21.177 1.00 62.54 H new ATOM 0 HG SER A 150 -0.417 -4.050 20.266 1.00 32.13 H new ATOM 2397 N GLY A 151 -3.447 -5.081 24.074 1.00 64.10 N ATOM 2398 CA GLY A 151 -3.393 -4.716 25.478 1.00 24.44 C ATOM 2399 C GLY A 151 -2.634 -5.731 26.311 1.00 22.15 C ATOM 2400 O GLY A 151 -1.762 -6.436 25.801 1.00 12.31 O ATOM 0 H GLY A 151 -3.658 -6.062 23.894 1.00 64.10 H new ATOM 0 HA2 GLY A 151 -2.919 -3.740 25.579 1.00 24.44 H new ATOM 0 HA3 GLY A 151 -4.408 -4.619 25.865 1.00 24.44 H new TER 2404 GLY A 151