USER MOD reduce.3.24.130724 H: found=0, std=0, add=777, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 775 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 112 HIS : no HD1:sc= -2.76 K(o=-3.2,f=-4) USER MOD Set 1.2: A 113 GLN : amide:sc= -0.449 X(o=-3.2,f=-2.8) USER MOD Set 2.1: A 80 GLN : amide:sc= -1.25 K(o=-1.9,f=-4) USER MOD Set 2.2: A 84 THR OG1 : rot 66:sc= -0.686 USER MOD Set 3.1: A 44 SER OG : rot -140:sc= 1.17 USER MOD Set 3.2: A 52 THR OG1 : rot 180:sc= 1.1 USER MOD Set 4.1: A 41 MET CE :methyl -166:sc= -13.2! (180deg=-15.8!) USER MOD Set 4.2: A 66 ASN : amide:sc= -0.105 K(o=-13,f=-15) USER MOD Single : A 38 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 45 LYS NZ :NH3+ 149:sc= 0.532 (180deg=0.11) USER MOD Single : A 46 SER OG : rot -101:sc= 0.00571 USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 CYS SG : rot 1:sc= -0.366 USER MOD Single : A 50 HIS : no HD1:sc= -0.81 X(o=-0.81,f=-0.81) USER MOD Single : A 51 SER OG : rot -80:sc= -1.7 USER MOD Single : A 55 LYS NZ :NH3+ 139:sc= -1.07 (180deg=-3.94!) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 GLN : amide:sc= 0.408 X(o=0.41,f=0) USER MOD Single : A 78 SER OG : rot 180:sc= -0.278 USER MOD Single : A 87 SER OG : rot -164:sc= 0.707 USER MOD Single : A 88 ASN : amide:sc= -0.0243 K(o=-0.024,f=-1.5) USER MOD Single : A 89 GLN : amide:sc= -2.68 K(o=-2.7,f=-1.5) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 THR OG1 : rot 56:sc= 0.0307 USER MOD Single : A 94 ASN : amide:sc= -3.45! C(o=-3.4!,f=-2.5!) USER MOD Single : A 98 ASN : amide:sc= -0.191 K(o=-0.19,f=-2!) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 HIS : no HD1:sc= -0.392 X(o=-0.39,f=-0.39) USER MOD Single : A 105 CYS SG : rot 53:sc= -0.133 USER MOD Single : A 108 THR OG1 : rot 69:sc= -2.27 USER MOD Single : A 110 GLN : amide:sc= -0.211 K(o=-0.21,f=-3.2!) USER MOD Single : A 114 ASN : amide:sc= -1.9 X(o=-1.9,f=-1.9) USER MOD Single : A 118 GLN : amide:sc= -1.71! C(o=-1.7!,f=-3.8!) USER MOD Single : A 119 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 65 N LEU A 27 3.218 -2.856 -5.223 1.00 63.54 N ATOM 66 CA LEU A 27 4.445 -3.450 -5.745 1.00 13.31 C ATOM 67 C LEU A 27 4.139 -4.426 -6.877 1.00 34.34 C ATOM 68 O LEU A 27 4.748 -4.364 -7.944 1.00 71.32 O ATOM 69 CB LEU A 27 5.202 -4.169 -4.627 1.00 5.33 C ATOM 70 CG LEU A 27 6.239 -5.200 -5.073 1.00 62.44 C ATOM 71 CD1 LEU A 27 7.576 -4.941 -4.398 1.00 14.50 C ATOM 72 CD2 LEU A 27 5.752 -6.611 -4.774 1.00 2.34 C ATOM 0 HA LEU A 27 5.068 -2.648 -6.140 1.00 13.31 H new ATOM 0 HB2 LEU A 27 5.704 -3.419 -4.015 1.00 5.33 H new ATOM 0 HB3 LEU A 27 4.475 -4.668 -3.986 1.00 5.33 H new ATOM 0 HG LEU A 27 6.376 -5.105 -6.150 1.00 62.44 H new ATOM 0 HD11 LEU A 27 8.301 -5.685 -4.728 1.00 14.50 H new ATOM 0 HD12 LEU A 27 7.931 -3.946 -4.664 1.00 14.50 H new ATOM 0 HD13 LEU A 27 7.456 -5.006 -3.317 1.00 14.50 H new ATOM 0 HD21 LEU A 27 6.503 -7.331 -5.098 1.00 2.34 H new ATOM 0 HD22 LEU A 27 5.585 -6.719 -3.702 1.00 2.34 H new ATOM 0 HD23 LEU A 27 4.819 -6.795 -5.307 1.00 2.34 H new ATOM 84 N ARG A 28 3.190 -5.325 -6.635 1.00 44.11 N ATOM 85 CA ARG A 28 2.802 -6.313 -7.634 1.00 63.35 C ATOM 86 C ARG A 28 2.461 -5.641 -8.960 1.00 51.44 C ATOM 87 O ARG A 28 2.741 -6.179 -10.032 1.00 4.33 O ATOM 88 CB ARG A 28 1.606 -7.128 -7.140 1.00 12.22 C ATOM 89 CG ARG A 28 1.453 -8.471 -7.835 1.00 22.32 C ATOM 90 CD ARG A 28 0.952 -8.306 -9.261 1.00 31.23 C ATOM 91 NE ARG A 28 -0.037 -9.321 -9.613 1.00 41.23 N ATOM 92 CZ ARG A 28 -1.315 -9.258 -9.255 1.00 64.31 C ATOM 93 NH1 ARG A 28 -1.755 -8.234 -8.537 1.00 71.05 N ATOM 94 NH2 ARG A 28 -2.155 -10.220 -9.614 1.00 62.44 N ATOM 0 H ARG A 28 2.676 -5.389 -5.756 1.00 44.11 H new ATOM 0 HA ARG A 28 3.647 -6.982 -7.793 1.00 63.35 H new ATOM 0 HB2 ARG A 28 1.708 -7.293 -6.068 1.00 12.22 H new ATOM 0 HB3 ARG A 28 0.696 -6.547 -7.287 1.00 12.22 H new ATOM 0 HG2 ARG A 28 2.412 -8.989 -7.843 1.00 22.32 H new ATOM 0 HG3 ARG A 28 0.758 -9.095 -7.274 1.00 22.32 H new ATOM 0 HD2 ARG A 28 0.513 -7.315 -9.379 1.00 31.23 H new ATOM 0 HD3 ARG A 28 1.794 -8.365 -9.951 1.00 31.23 H new ATOM 0 HE ARG A 28 0.270 -10.122 -10.164 1.00 41.23 H new ATOM 0 HH11 ARG A 28 -1.112 -7.493 -8.258 1.00 71.05 H new ATOM 0 HH12 ARG A 28 -2.736 -8.187 -8.263 1.00 71.05 H new ATOM 0 HH21 ARG A 28 -1.820 -11.010 -10.166 1.00 62.44 H new ATOM 0 HH22 ARG A 28 -3.136 -10.170 -9.338 1.00 62.44 H new ATOM 108 N ARG A 29 1.853 -4.462 -8.881 1.00 14.45 N ATOM 109 CA ARG A 29 1.471 -3.717 -10.073 1.00 53.34 C ATOM 110 C ARG A 29 2.696 -3.368 -10.913 1.00 65.50 C ATOM 111 O ARG A 29 2.605 -3.216 -12.131 1.00 32.15 O ATOM 112 CB ARG A 29 0.725 -2.439 -9.686 1.00 11.52 C ATOM 113 CG ARG A 29 0.783 -1.352 -10.749 1.00 23.44 C ATOM 114 CD ARG A 29 1.964 -0.420 -10.527 1.00 72.31 C ATOM 115 NE ARG A 29 1.536 0.952 -10.263 1.00 71.33 N ATOM 116 CZ ARG A 29 1.097 1.778 -11.205 1.00 71.25 C ATOM 117 NH1 ARG A 29 1.027 1.374 -12.466 1.00 12.12 N ATOM 118 NH2 ARG A 29 0.724 3.011 -10.887 1.00 5.43 N ATOM 0 H ARG A 29 1.614 -4.002 -8.002 1.00 14.45 H new ATOM 0 HA ARG A 29 0.811 -4.349 -10.668 1.00 53.34 H new ATOM 0 HB2 ARG A 29 -0.318 -2.684 -9.486 1.00 11.52 H new ATOM 0 HB3 ARG A 29 1.145 -2.050 -8.758 1.00 11.52 H new ATOM 0 HG2 ARG A 29 0.859 -1.810 -11.735 1.00 23.44 H new ATOM 0 HG3 ARG A 29 -0.143 -0.778 -10.735 1.00 23.44 H new ATOM 0 HD2 ARG A 29 2.559 -0.782 -9.688 1.00 72.31 H new ATOM 0 HD3 ARG A 29 2.609 -0.436 -11.406 1.00 72.31 H new ATOM 0 HE ARG A 29 1.577 1.294 -9.303 1.00 71.33 H new ATOM 0 HH11 ARG A 29 1.311 0.426 -12.714 1.00 12.12 H new ATOM 0 HH12 ARG A 29 0.689 2.011 -13.188 1.00 12.12 H new ATOM 0 HH21 ARG A 29 0.774 3.325 -9.918 1.00 5.43 H new ATOM 0 HH22 ARG A 29 0.387 3.645 -11.612 1.00 5.43 H new ATOM 132 N ARG A 30 3.843 -3.243 -10.252 1.00 14.01 N ATOM 133 CA ARG A 30 5.087 -2.911 -10.937 1.00 13.12 C ATOM 134 C ARG A 30 5.688 -4.146 -11.602 1.00 54.03 C ATOM 135 O ARG A 30 6.323 -4.051 -12.653 1.00 23.12 O ATOM 136 CB ARG A 30 6.091 -2.310 -9.952 1.00 43.01 C ATOM 137 CG ARG A 30 6.942 -1.202 -10.551 1.00 35.13 C ATOM 138 CD ARG A 30 8.218 -0.986 -9.752 1.00 71.41 C ATOM 139 NE ARG A 30 9.193 -0.183 -10.484 1.00 12.21 N ATOM 140 CZ ARG A 30 10.445 0.002 -10.080 1.00 51.45 C ATOM 141 NH1 ARG A 30 10.872 -0.556 -8.957 1.00 11.25 N ATOM 142 NH2 ARG A 30 11.272 0.749 -10.801 1.00 71.12 N ATOM 0 H ARG A 30 3.936 -3.367 -9.244 1.00 14.01 H new ATOM 0 HA ARG A 30 4.862 -2.176 -11.710 1.00 13.12 H new ATOM 0 HB2 ARG A 30 5.551 -1.917 -9.090 1.00 43.01 H new ATOM 0 HB3 ARG A 30 6.745 -3.101 -9.585 1.00 43.01 H new ATOM 0 HG2 ARG A 30 7.195 -1.452 -11.581 1.00 35.13 H new ATOM 0 HG3 ARG A 30 6.368 -0.276 -10.579 1.00 35.13 H new ATOM 0 HD2 ARG A 30 7.977 -0.493 -8.810 1.00 71.41 H new ATOM 0 HD3 ARG A 30 8.658 -1.952 -9.503 1.00 71.41 H new ATOM 0 HE ARG A 30 8.897 0.260 -11.353 1.00 12.21 H new ATOM 0 HH11 ARG A 30 10.239 -1.130 -8.400 1.00 11.25 H new ATOM 0 HH12 ARG A 30 11.834 -0.412 -8.650 1.00 11.25 H new ATOM 0 HH21 ARG A 30 10.946 1.181 -11.666 1.00 71.12 H new ATOM 0 HH22 ARG A 30 12.233 0.891 -10.490 1.00 71.12 H new ATOM 156 N LEU A 31 5.483 -5.303 -10.983 1.00 33.52 N ATOM 157 CA LEU A 31 6.004 -6.558 -11.515 1.00 20.55 C ATOM 158 C LEU A 31 5.158 -7.048 -12.684 1.00 0.40 C ATOM 159 O LEU A 31 5.661 -7.704 -13.596 1.00 62.23 O ATOM 160 CB LEU A 31 6.042 -7.623 -10.416 1.00 63.43 C ATOM 161 CG LEU A 31 6.521 -7.153 -9.042 1.00 11.12 C ATOM 162 CD1 LEU A 31 6.255 -8.220 -7.991 1.00 62.25 C ATOM 163 CD2 LEU A 31 8.000 -6.800 -9.084 1.00 14.32 C ATOM 0 H LEU A 31 4.960 -5.399 -10.113 1.00 33.52 H new ATOM 0 HA LEU A 31 7.017 -6.379 -11.875 1.00 20.55 H new ATOM 0 HB2 LEU A 31 5.041 -8.039 -10.307 1.00 63.43 H new ATOM 0 HB3 LEU A 31 6.690 -8.435 -10.747 1.00 63.43 H new ATOM 0 HG LEU A 31 5.963 -6.257 -8.771 1.00 11.12 H new ATOM 0 HD11 LEU A 31 6.602 -7.868 -7.019 1.00 62.25 H new ATOM 0 HD12 LEU A 31 5.185 -8.424 -7.942 1.00 62.25 H new ATOM 0 HD13 LEU A 31 6.787 -9.134 -8.257 1.00 62.25 H new ATOM 0 HD21 LEU A 31 8.323 -6.468 -8.097 1.00 14.32 H new ATOM 0 HD22 LEU A 31 8.575 -7.678 -9.377 1.00 14.32 H new ATOM 0 HD23 LEU A 31 8.163 -6.001 -9.807 1.00 14.32 H new ATOM 175 N ARG A 32 3.869 -6.723 -12.653 1.00 30.22 N ATOM 176 CA ARG A 32 2.953 -7.129 -13.711 1.00 53.13 C ATOM 177 C ARG A 32 2.982 -6.133 -14.867 1.00 62.42 C ATOM 178 O ARG A 32 3.205 -6.509 -16.019 1.00 21.23 O ATOM 179 CB ARG A 32 1.530 -7.249 -13.165 1.00 32.23 C ATOM 180 CG ARG A 32 1.191 -8.638 -12.648 1.00 61.53 C ATOM 181 CD ARG A 32 1.054 -9.637 -13.787 1.00 73.52 C ATOM 182 NE ARG A 32 -0.237 -10.320 -13.764 1.00 35.22 N ATOM 183 CZ ARG A 32 -0.636 -11.170 -14.703 1.00 71.52 C ATOM 184 NH1 ARG A 32 0.152 -11.442 -15.734 1.00 12.00 N ATOM 185 NH2 ARG A 32 -1.825 -11.753 -14.611 1.00 50.52 N ATOM 0 H ARG A 32 3.436 -6.180 -11.906 1.00 30.22 H new ATOM 0 HA ARG A 32 3.276 -8.102 -14.083 1.00 53.13 H new ATOM 0 HB2 ARG A 32 1.397 -6.528 -12.358 1.00 32.23 H new ATOM 0 HB3 ARG A 32 0.824 -6.981 -13.951 1.00 32.23 H new ATOM 0 HG2 ARG A 32 1.969 -8.972 -11.961 1.00 61.53 H new ATOM 0 HG3 ARG A 32 0.260 -8.600 -12.082 1.00 61.53 H new ATOM 0 HD2 ARG A 32 1.174 -9.120 -14.739 1.00 73.52 H new ATOM 0 HD3 ARG A 32 1.855 -10.373 -13.722 1.00 73.52 H new ATOM 0 HE ARG A 32 -0.867 -10.134 -12.984 1.00 35.22 H new ATOM 0 HH11 ARG A 32 1.067 -10.998 -15.807 1.00 12.00 H new ATOM 0 HH12 ARG A 32 -0.157 -12.095 -16.454 1.00 12.00 H new ATOM 0 HH21 ARG A 32 -2.433 -11.548 -13.818 1.00 50.52 H new ATOM 0 HH22 ARG A 32 -2.130 -12.406 -15.333 1.00 50.52 H new ATOM 199 N ASP A 33 2.756 -4.862 -14.553 1.00 73.22 N ATOM 200 CA ASP A 33 2.756 -3.812 -15.564 1.00 62.25 C ATOM 201 C ASP A 33 4.087 -3.777 -16.310 1.00 1.43 C ATOM 202 O ASP A 33 4.149 -3.381 -17.475 1.00 71.22 O ATOM 203 CB ASP A 33 2.483 -2.453 -14.920 1.00 12.10 C ATOM 204 CG ASP A 33 2.029 -1.415 -15.927 1.00 62.14 C ATOM 205 OD1 ASP A 33 2.822 -1.082 -16.833 1.00 12.53 O ATOM 206 OD2 ASP A 33 0.883 -0.935 -15.810 1.00 35.00 O ATOM 0 H ASP A 33 2.570 -4.534 -13.605 1.00 73.22 H new ATOM 0 HA ASP A 33 1.963 -4.031 -16.280 1.00 62.25 H new ATOM 0 HB2 ASP A 33 1.720 -2.566 -14.150 1.00 12.10 H new ATOM 0 HB3 ASP A 33 3.387 -2.102 -14.423 1.00 12.10 H new ATOM 211 N LEU A 34 5.151 -4.192 -15.630 1.00 53.31 N ATOM 212 CA LEU A 34 6.482 -4.206 -16.228 1.00 34.52 C ATOM 213 C LEU A 34 6.515 -5.101 -17.462 1.00 54.02 C ATOM 214 O LEU A 34 7.381 -4.953 -18.325 1.00 53.45 O ATOM 215 CB LEU A 34 7.514 -4.687 -15.207 1.00 24.13 C ATOM 216 CG LEU A 34 8.876 -5.096 -15.771 1.00 5.22 C ATOM 217 CD1 LEU A 34 9.494 -3.949 -16.556 1.00 72.54 C ATOM 218 CD2 LEU A 34 9.806 -5.540 -14.651 1.00 40.51 C ATOM 0 H LEU A 34 5.118 -4.523 -14.666 1.00 53.31 H new ATOM 0 HA LEU A 34 6.728 -3.189 -16.534 1.00 34.52 H new ATOM 0 HB2 LEU A 34 7.669 -3.894 -14.476 1.00 24.13 H new ATOM 0 HB3 LEU A 34 7.095 -5.538 -14.670 1.00 24.13 H new ATOM 0 HG LEU A 34 8.730 -5.937 -16.449 1.00 5.22 H new ATOM 0 HD11 LEU A 34 10.462 -4.258 -16.950 1.00 72.54 H new ATOM 0 HD12 LEU A 34 8.836 -3.677 -17.382 1.00 72.54 H new ATOM 0 HD13 LEU A 34 9.627 -3.089 -15.900 1.00 72.54 H new ATOM 0 HD21 LEU A 34 10.770 -5.827 -15.071 1.00 40.51 H new ATOM 0 HD22 LEU A 34 9.947 -4.719 -13.948 1.00 40.51 H new ATOM 0 HD23 LEU A 34 9.368 -6.392 -14.131 1.00 40.51 H new ATOM 230 N ILE A 35 5.566 -6.028 -17.541 1.00 2.53 N ATOM 231 CA ILE A 35 5.485 -6.944 -18.671 1.00 51.23 C ATOM 232 C ILE A 35 4.776 -6.295 -19.855 1.00 1.42 C ATOM 233 O ILE A 35 4.964 -6.700 -21.002 1.00 4.13 O ATOM 234 CB ILE A 35 4.746 -8.241 -18.293 1.00 54.03 C ATOM 235 CG1 ILE A 35 5.559 -9.037 -17.269 1.00 55.54 C ATOM 236 CG2 ILE A 35 4.480 -9.080 -19.534 1.00 74.41 C ATOM 237 CD1 ILE A 35 4.863 -9.190 -15.934 1.00 43.34 C ATOM 0 H ILE A 35 4.842 -6.164 -16.835 1.00 2.53 H new ATOM 0 HA ILE A 35 6.509 -7.188 -18.953 1.00 51.23 H new ATOM 0 HB ILE A 35 3.788 -7.978 -17.844 1.00 54.03 H new ATOM 0 HG12 ILE A 35 5.771 -10.026 -17.675 1.00 55.54 H new ATOM 0 HG13 ILE A 35 6.518 -8.543 -17.115 1.00 55.54 H new ATOM 0 HG21 ILE A 35 3.957 -9.993 -19.250 1.00 74.41 H new ATOM 0 HG22 ILE A 35 3.865 -8.512 -20.232 1.00 74.41 H new ATOM 0 HG23 ILE A 35 5.427 -9.337 -20.010 1.00 74.41 H new ATOM 0 HD11 ILE A 35 5.496 -9.764 -15.257 1.00 43.34 H new ATOM 0 HD12 ILE A 35 4.675 -8.205 -15.507 1.00 43.34 H new ATOM 0 HD13 ILE A 35 3.916 -9.711 -16.075 1.00 43.34 H new ATOM 249 N GLU A 36 3.962 -5.283 -19.568 1.00 21.21 N ATOM 250 CA GLU A 36 3.227 -4.577 -20.610 1.00 75.21 C ATOM 251 C GLU A 36 4.108 -3.531 -21.286 1.00 42.15 C ATOM 252 O GLU A 36 3.907 -3.193 -22.452 1.00 25.11 O ATOM 253 CB GLU A 36 1.982 -3.908 -20.023 1.00 12.01 C ATOM 254 CG GLU A 36 0.691 -4.306 -20.718 1.00 0.33 C ATOM 255 CD GLU A 36 -0.333 -3.188 -20.729 1.00 55.30 C ATOM 256 OE1 GLU A 36 -0.683 -2.691 -19.638 1.00 74.55 O ATOM 257 OE2 GLU A 36 -0.786 -2.809 -21.830 1.00 73.31 O ATOM 0 H GLU A 36 3.796 -4.935 -18.624 1.00 21.21 H new ATOM 0 HA GLU A 36 2.920 -5.307 -21.359 1.00 75.21 H new ATOM 0 HB2 GLU A 36 1.908 -4.162 -18.965 1.00 12.01 H new ATOM 0 HB3 GLU A 36 2.099 -2.826 -20.084 1.00 12.01 H new ATOM 0 HG2 GLU A 36 0.911 -4.602 -21.744 1.00 0.33 H new ATOM 0 HG3 GLU A 36 0.267 -5.177 -20.218 1.00 0.33 H new ATOM 264 N GLY A 37 5.088 -3.022 -20.544 1.00 34.40 N ATOM 265 CA GLY A 37 5.986 -2.020 -21.087 1.00 52.42 C ATOM 266 C GLY A 37 7.050 -2.619 -21.983 1.00 72.34 C ATOM 267 O GLY A 37 7.733 -1.902 -22.713 1.00 23.33 O ATOM 0 H GLY A 37 5.275 -3.286 -19.577 1.00 34.40 H new ATOM 0 HA2 GLY A 37 5.409 -1.288 -21.653 1.00 52.42 H new ATOM 0 HA3 GLY A 37 6.465 -1.484 -20.268 1.00 52.42 H new ATOM 271 N ASN A 38 7.193 -3.940 -21.928 1.00 54.22 N ATOM 272 CA ASN A 38 8.184 -4.636 -22.740 1.00 61.34 C ATOM 273 C ASN A 38 7.595 -5.905 -23.348 1.00 71.22 C ATOM 274 O ASN A 38 6.888 -6.657 -22.677 1.00 13.13 O ATOM 275 CB ASN A 38 9.412 -4.984 -21.896 1.00 63.13 C ATOM 276 CG ASN A 38 10.619 -4.139 -22.257 1.00 24.42 C ATOM 277 OD1 ASN A 38 11.260 -4.360 -23.285 1.00 23.31 O ATOM 278 ND2 ASN A 38 10.935 -3.167 -21.410 1.00 12.23 N ATOM 0 H ASN A 38 6.635 -4.549 -21.330 1.00 54.22 H new ATOM 0 HA ASN A 38 8.485 -3.972 -23.550 1.00 61.34 H new ATOM 0 HB2 ASN A 38 9.176 -4.844 -20.841 1.00 63.13 H new ATOM 0 HB3 ASN A 38 9.656 -6.038 -22.031 1.00 63.13 H new ATOM 0 HD21 ASN A 38 11.738 -2.567 -21.599 1.00 12.23 H new ATOM 0 HD22 ASN A 38 10.375 -3.020 -20.570 1.00 12.23 H new ATOM 285 N ARG A 39 7.892 -6.137 -24.623 1.00 61.41 N ATOM 286 CA ARG A 39 7.392 -7.315 -25.322 1.00 74.12 C ATOM 287 C ARG A 39 7.590 -8.572 -24.480 1.00 12.20 C ATOM 288 O ARG A 39 6.639 -9.303 -24.202 1.00 72.14 O ATOM 289 CB ARG A 39 8.098 -7.473 -26.669 1.00 60.42 C ATOM 290 CG ARG A 39 7.148 -7.510 -27.855 1.00 35.44 C ATOM 291 CD ARG A 39 6.645 -8.919 -28.123 1.00 61.51 C ATOM 292 NE ARG A 39 5.676 -8.957 -29.215 1.00 2.25 N ATOM 293 CZ ARG A 39 5.224 -10.081 -29.758 1.00 31.44 C ATOM 294 NH1 ARG A 39 5.652 -11.256 -29.313 1.00 50.23 N ATOM 295 NH2 ARG A 39 4.342 -10.034 -30.748 1.00 41.30 N ATOM 0 H ARG A 39 8.476 -5.525 -25.193 1.00 61.41 H new ATOM 0 HA ARG A 39 6.324 -7.179 -25.494 1.00 74.12 H new ATOM 0 HB2 ARG A 39 8.798 -6.648 -26.801 1.00 60.42 H new ATOM 0 HB3 ARG A 39 8.685 -8.391 -26.656 1.00 60.42 H new ATOM 0 HG2 ARG A 39 6.301 -6.850 -27.665 1.00 35.44 H new ATOM 0 HG3 ARG A 39 7.656 -7.129 -28.741 1.00 35.44 H new ATOM 0 HD2 ARG A 39 7.489 -9.565 -28.365 1.00 61.51 H new ATOM 0 HD3 ARG A 39 6.187 -9.318 -27.218 1.00 61.51 H new ATOM 0 HE ARG A 39 5.327 -8.071 -29.581 1.00 2.25 H new ATOM 0 HH11 ARG A 39 6.330 -11.297 -28.552 1.00 50.23 H new ATOM 0 HH12 ARG A 39 5.303 -12.118 -29.732 1.00 50.23 H new ATOM 0 HH21 ARG A 39 4.010 -9.133 -31.093 1.00 41.30 H new ATOM 0 HH22 ARG A 39 3.996 -10.899 -31.164 1.00 41.30 H new ATOM 309 N VAL A 40 8.833 -8.818 -24.077 1.00 52.42 N ATOM 310 CA VAL A 40 9.157 -9.986 -23.267 1.00 20.04 C ATOM 311 C VAL A 40 9.681 -9.575 -21.894 1.00 75.34 C ATOM 312 O VAL A 40 10.544 -8.706 -21.784 1.00 54.42 O ATOM 313 CB VAL A 40 10.205 -10.875 -23.959 1.00 24.44 C ATOM 314 CG1 VAL A 40 10.429 -12.155 -23.166 1.00 11.13 C ATOM 315 CG2 VAL A 40 9.779 -11.190 -25.384 1.00 72.44 C ATOM 0 H VAL A 40 9.632 -8.224 -24.298 1.00 52.42 H new ATOM 0 HA VAL A 40 8.234 -10.553 -23.145 1.00 20.04 H new ATOM 0 HB VAL A 40 11.148 -10.330 -23.998 1.00 24.44 H new ATOM 0 HG11 VAL A 40 11.173 -12.770 -23.671 1.00 11.13 H new ATOM 0 HG12 VAL A 40 10.783 -11.906 -22.165 1.00 11.13 H new ATOM 0 HG13 VAL A 40 9.492 -12.706 -23.093 1.00 11.13 H new ATOM 0 HG21 VAL A 40 10.532 -11.820 -25.858 1.00 72.44 H new ATOM 0 HG22 VAL A 40 8.824 -11.715 -25.371 1.00 72.44 H new ATOM 0 HG23 VAL A 40 9.676 -10.262 -25.946 1.00 72.44 H new ATOM 325 N MET A 41 9.152 -10.207 -20.852 1.00 25.41 N ATOM 326 CA MET A 41 9.568 -9.908 -19.486 1.00 44.13 C ATOM 327 C MET A 41 9.886 -11.190 -18.722 1.00 44.02 C ATOM 328 O MET A 41 9.088 -12.127 -18.705 1.00 61.11 O ATOM 329 CB MET A 41 8.475 -9.124 -18.758 1.00 24.35 C ATOM 330 CG MET A 41 9.009 -7.976 -17.917 1.00 52.44 C ATOM 331 SD MET A 41 9.813 -6.704 -18.911 1.00 3.42 S ATOM 332 CE MET A 41 11.236 -6.327 -17.890 1.00 21.25 C ATOM 0 H MET A 41 8.435 -10.929 -20.927 1.00 25.41 H new ATOM 0 HA MET A 41 10.472 -9.300 -19.532 1.00 44.13 H new ATOM 0 HB2 MET A 41 7.772 -8.730 -19.492 1.00 24.35 H new ATOM 0 HB3 MET A 41 7.917 -9.805 -18.116 1.00 24.35 H new ATOM 0 HG2 MET A 41 8.188 -7.529 -17.356 1.00 52.44 H new ATOM 0 HG3 MET A 41 9.719 -8.365 -17.187 1.00 52.44 H new ATOM 0 HE1 MET A 41 11.694 -5.400 -18.233 1.00 21.25 H new ATOM 0 HE2 MET A 41 10.920 -6.214 -16.853 1.00 21.25 H new ATOM 0 HE3 MET A 41 11.961 -7.138 -17.962 1.00 21.25 H new ATOM 342 N ILE A 42 11.056 -11.223 -18.093 1.00 64.13 N ATOM 343 CA ILE A 42 11.478 -12.389 -17.328 1.00 13.21 C ATOM 344 C ILE A 42 12.103 -11.977 -16.000 1.00 24.24 C ATOM 345 O ILE A 42 13.022 -11.159 -15.961 1.00 61.11 O ATOM 346 CB ILE A 42 12.488 -13.244 -18.115 1.00 65.11 C ATOM 347 CG1 ILE A 42 13.006 -12.472 -19.330 1.00 4.34 C ATOM 348 CG2 ILE A 42 11.848 -14.556 -18.547 1.00 44.44 C ATOM 349 CD1 ILE A 42 12.028 -12.432 -20.483 1.00 53.30 C ATOM 0 H ILE A 42 11.728 -10.456 -18.098 1.00 64.13 H new ATOM 0 HA ILE A 42 10.584 -12.982 -17.138 1.00 13.21 H new ATOM 0 HB ILE A 42 13.333 -13.471 -17.466 1.00 65.11 H new ATOM 0 HG12 ILE A 42 13.241 -11.451 -19.028 1.00 4.34 H new ATOM 0 HG13 ILE A 42 13.937 -12.927 -19.669 1.00 4.34 H new ATOM 0 HG21 ILE A 42 12.574 -15.150 -19.102 1.00 44.44 H new ATOM 0 HG22 ILE A 42 11.524 -15.110 -17.666 1.00 44.44 H new ATOM 0 HG23 ILE A 42 10.987 -14.349 -19.182 1.00 44.44 H new ATOM 0 HD11 ILE A 42 12.462 -11.869 -21.309 1.00 53.30 H new ATOM 0 HD12 ILE A 42 11.811 -13.448 -20.812 1.00 53.30 H new ATOM 0 HD13 ILE A 42 11.105 -11.950 -20.161 1.00 53.30 H new ATOM 361 N PHE A 43 11.601 -12.552 -14.911 1.00 71.33 N ATOM 362 CA PHE A 43 12.111 -12.245 -13.581 1.00 21.44 C ATOM 363 C PHE A 43 12.944 -13.403 -13.037 1.00 31.20 C ATOM 364 O PHE A 43 12.658 -14.570 -13.311 1.00 44.43 O ATOM 365 CB PHE A 43 10.955 -11.942 -12.625 1.00 61.33 C ATOM 366 CG PHE A 43 10.193 -10.699 -12.983 1.00 1.23 C ATOM 367 CD1 PHE A 43 9.353 -10.677 -14.085 1.00 22.22 C ATOM 368 CD2 PHE A 43 10.315 -9.551 -12.216 1.00 1.51 C ATOM 369 CE1 PHE A 43 8.652 -9.534 -14.416 1.00 53.34 C ATOM 370 CE2 PHE A 43 9.616 -8.404 -12.542 1.00 73.04 C ATOM 371 CZ PHE A 43 8.782 -8.397 -13.643 1.00 54.41 C ATOM 0 H PHE A 43 10.842 -13.233 -14.925 1.00 71.33 H new ATOM 0 HA PHE A 43 12.750 -11.365 -13.659 1.00 21.44 H new ATOM 0 HB2 PHE A 43 10.269 -12.789 -12.616 1.00 61.33 H new ATOM 0 HB3 PHE A 43 11.348 -11.839 -11.613 1.00 61.33 H new ATOM 0 HD1 PHE A 43 9.245 -11.564 -14.692 1.00 22.22 H new ATOM 0 HD2 PHE A 43 10.964 -9.553 -11.353 1.00 1.51 H new ATOM 0 HE1 PHE A 43 8.003 -9.529 -15.279 1.00 53.34 H new ATOM 0 HE2 PHE A 43 9.722 -7.515 -11.937 1.00 73.04 H new ATOM 0 HZ PHE A 43 8.232 -7.503 -13.899 1.00 54.41 H new ATOM 381 N SER A 44 13.975 -13.072 -12.267 1.00 31.25 N ATOM 382 CA SER A 44 14.853 -14.083 -11.688 1.00 42.24 C ATOM 383 C SER A 44 15.474 -13.583 -10.387 1.00 72.51 C ATOM 384 O SER A 44 15.006 -12.610 -9.796 1.00 22.11 O ATOM 385 CB SER A 44 15.955 -14.460 -12.681 1.00 31.44 C ATOM 386 OG SER A 44 16.071 -15.868 -12.803 1.00 12.14 O ATOM 0 H SER A 44 14.223 -12.112 -12.029 1.00 31.25 H new ATOM 0 HA SER A 44 14.254 -14.967 -11.468 1.00 42.24 H new ATOM 0 HB2 SER A 44 15.736 -14.024 -13.656 1.00 31.44 H new ATOM 0 HB3 SER A 44 16.905 -14.041 -12.351 1.00 31.44 H new ATOM 0 HG SER A 44 17.018 -16.115 -12.860 1.00 12.14 H new ATOM 392 N LYS A 45 16.531 -14.257 -9.946 1.00 62.55 N ATOM 393 CA LYS A 45 17.218 -13.883 -8.717 1.00 64.21 C ATOM 394 C LYS A 45 18.728 -13.826 -8.933 1.00 52.01 C ATOM 395 O LYS A 45 19.206 -13.924 -10.063 1.00 23.23 O ATOM 396 CB LYS A 45 16.890 -14.878 -7.602 1.00 34.12 C ATOM 397 CG LYS A 45 15.575 -14.591 -6.899 1.00 14.15 C ATOM 398 CD LYS A 45 15.761 -14.471 -5.395 1.00 11.44 C ATOM 399 CE LYS A 45 15.280 -15.719 -4.672 1.00 63.34 C ATOM 400 NZ LYS A 45 16.288 -16.219 -3.697 1.00 64.44 N ATOM 0 H LYS A 45 16.930 -15.066 -10.423 1.00 62.55 H new ATOM 0 HA LYS A 45 16.872 -12.891 -8.425 1.00 64.21 H new ATOM 0 HB2 LYS A 45 16.856 -15.883 -8.022 1.00 34.12 H new ATOM 0 HB3 LYS A 45 17.695 -14.866 -6.867 1.00 34.12 H new ATOM 0 HG2 LYS A 45 15.147 -13.667 -7.288 1.00 14.15 H new ATOM 0 HG3 LYS A 45 14.864 -15.388 -7.116 1.00 14.15 H new ATOM 0 HD2 LYS A 45 16.814 -14.302 -5.170 1.00 11.44 H new ATOM 0 HD3 LYS A 45 15.214 -13.603 -5.028 1.00 11.44 H new ATOM 0 HE2 LYS A 45 14.348 -15.500 -4.151 1.00 63.34 H new ATOM 0 HE3 LYS A 45 15.062 -16.499 -5.401 1.00 63.34 H new ATOM 0 HZ1 LYS A 45 15.802 -16.678 -2.900 1.00 64.44 H new ATOM 0 HZ2 LYS A 45 16.912 -16.907 -4.165 1.00 64.44 H new ATOM 0 HZ3 LYS A 45 16.855 -15.422 -3.344 1.00 64.44 H new ATOM 414 N SER A 46 19.472 -13.668 -7.843 1.00 20.41 N ATOM 415 CA SER A 46 20.927 -13.596 -7.914 1.00 73.13 C ATOM 416 C SER A 46 21.533 -14.988 -8.063 1.00 0.30 C ATOM 417 O SER A 46 22.336 -15.235 -8.962 1.00 40.34 O ATOM 418 CB SER A 46 21.486 -12.914 -6.664 1.00 70.05 C ATOM 419 OG SER A 46 22.899 -13.011 -6.620 1.00 41.24 O ATOM 0 H SER A 46 19.091 -13.587 -6.900 1.00 20.41 H new ATOM 0 HA SER A 46 21.195 -13.007 -8.791 1.00 73.13 H new ATOM 0 HB2 SER A 46 21.190 -11.865 -6.655 1.00 70.05 H new ATOM 0 HB3 SER A 46 21.059 -13.374 -5.773 1.00 70.05 H new ATOM 0 HG SER A 46 23.159 -13.724 -6.000 1.00 41.24 H new ATOM 425 N TYR A 47 21.142 -15.895 -7.174 1.00 14.42 N ATOM 426 CA TYR A 47 21.648 -17.262 -7.203 1.00 1.31 C ATOM 427 C TYR A 47 20.501 -18.267 -7.189 1.00 65.34 C ATOM 428 O TYR A 47 20.293 -18.974 -6.203 1.00 21.43 O ATOM 429 CB TYR A 47 22.574 -17.510 -6.012 1.00 11.05 C ATOM 430 CG TYR A 47 22.259 -16.649 -4.810 1.00 32.04 C ATOM 431 CD1 TYR A 47 21.003 -16.682 -4.216 1.00 41.12 C ATOM 432 CD2 TYR A 47 23.218 -15.803 -4.266 1.00 51.43 C ATOM 433 CE1 TYR A 47 20.710 -15.896 -3.119 1.00 23.11 C ATOM 434 CE2 TYR A 47 22.934 -15.014 -3.167 1.00 65.31 C ATOM 435 CZ TYR A 47 21.680 -15.064 -2.598 1.00 33.21 C ATOM 436 OH TYR A 47 21.392 -14.281 -1.503 1.00 5.11 O ATOM 0 H TYR A 47 20.476 -15.708 -6.424 1.00 14.42 H new ATOM 0 HA TYR A 47 22.212 -17.395 -8.126 1.00 1.31 H new ATOM 0 HB2 TYR A 47 22.508 -18.559 -5.724 1.00 11.05 H new ATOM 0 HB3 TYR A 47 23.604 -17.328 -6.319 1.00 11.05 H new ATOM 0 HD1 TYR A 47 20.242 -17.334 -4.620 1.00 41.12 H new ATOM 0 HD2 TYR A 47 24.202 -15.761 -4.709 1.00 51.43 H new ATOM 0 HE1 TYR A 47 19.728 -15.932 -2.672 1.00 23.11 H new ATOM 0 HE2 TYR A 47 23.691 -14.362 -2.757 1.00 65.31 H new ATOM 0 HH TYR A 47 22.182 -13.755 -1.260 1.00 5.11 H new ATOM 446 N CYS A 48 19.760 -18.325 -8.290 1.00 45.44 N ATOM 447 CA CYS A 48 18.633 -19.244 -8.407 1.00 22.03 C ATOM 448 C CYS A 48 18.529 -19.800 -9.824 1.00 1.43 C ATOM 449 O CYS A 48 17.993 -19.160 -10.729 1.00 11.05 O ATOM 450 CB CYS A 48 17.331 -18.538 -8.025 1.00 4.41 C ATOM 451 SG CYS A 48 17.268 -17.986 -6.304 1.00 44.34 S ATOM 0 H CYS A 48 19.919 -17.746 -9.115 1.00 45.44 H new ATOM 0 HA CYS A 48 18.801 -20.075 -7.722 1.00 22.03 H new ATOM 0 HB2 CYS A 48 17.193 -17.676 -8.677 1.00 4.41 H new ATOM 0 HB3 CYS A 48 16.496 -19.214 -8.209 1.00 4.41 H new ATOM 0 HG CYS A 48 18.381 -18.297 -5.708 1.00 44.34 H new ATOM 457 N PRO A 49 19.053 -21.018 -10.022 1.00 22.01 N ATOM 458 CA PRO A 49 19.032 -21.685 -11.326 1.00 33.31 C ATOM 459 C PRO A 49 17.627 -22.116 -11.734 1.00 63.41 C ATOM 460 O PRO A 49 16.692 -22.055 -10.936 1.00 41.51 O ATOM 461 CB PRO A 49 19.926 -22.910 -11.113 1.00 11.41 C ATOM 462 CG PRO A 49 19.856 -23.179 -9.649 1.00 34.12 C ATOM 463 CD PRO A 49 19.707 -21.837 -8.987 1.00 53.31 C ATOM 0 HA PRO A 49 19.371 -21.027 -12.126 1.00 33.31 H new ATOM 0 HB2 PRO A 49 19.572 -23.764 -11.690 1.00 11.41 H new ATOM 0 HB3 PRO A 49 20.950 -22.713 -11.431 1.00 11.41 H new ATOM 0 HG2 PRO A 49 19.012 -23.827 -9.411 1.00 34.12 H new ATOM 0 HG3 PRO A 49 20.756 -23.687 -9.302 1.00 34.12 H new ATOM 0 HD2 PRO A 49 19.102 -21.900 -8.082 1.00 53.31 H new ATOM 0 HD3 PRO A 49 20.672 -21.422 -8.697 1.00 53.31 H new ATOM 471 N HIS A 50 17.486 -22.553 -12.982 1.00 30.40 N ATOM 472 CA HIS A 50 16.195 -22.996 -13.495 1.00 41.42 C ATOM 473 C HIS A 50 15.310 -21.802 -13.844 1.00 2.44 C ATOM 474 O HIS A 50 14.749 -21.731 -14.937 1.00 41.40 O ATOM 475 CB HIS A 50 15.492 -23.884 -12.469 1.00 34.34 C ATOM 476 CG HIS A 50 16.403 -24.868 -11.803 1.00 0.02 C ATOM 477 ND1 HIS A 50 17.244 -25.708 -12.502 1.00 11.24 N ATOM 478 CD2 HIS A 50 16.605 -25.141 -10.492 1.00 63.11 C ATOM 479 CE1 HIS A 50 17.922 -26.456 -11.651 1.00 60.43 C ATOM 480 NE2 HIS A 50 17.553 -26.132 -10.425 1.00 34.44 N ATOM 0 H HIS A 50 18.250 -22.610 -13.656 1.00 30.40 H new ATOM 0 HA HIS A 50 16.371 -23.573 -14.403 1.00 41.42 H new ATOM 0 HB2 HIS A 50 15.034 -23.253 -11.708 1.00 34.34 H new ATOM 0 HB3 HIS A 50 14.685 -24.425 -12.962 1.00 34.34 H new ATOM 0 HD2 HIS A 50 16.112 -24.668 -9.655 1.00 63.11 H new ATOM 0 HE1 HIS A 50 18.654 -27.206 -11.913 1.00 60.43 H new ATOM 0 HE2 HIS A 50 17.914 -26.550 -9.567 1.00 34.44 H new ATOM 488 N SER A 51 15.191 -20.867 -12.907 1.00 24.25 N ATOM 489 CA SER A 51 14.372 -19.678 -13.113 1.00 34.44 C ATOM 490 C SER A 51 15.047 -18.715 -14.083 1.00 12.51 C ATOM 491 O SER A 51 14.382 -17.943 -14.775 1.00 71.21 O ATOM 492 CB SER A 51 14.109 -18.977 -11.779 1.00 1.34 C ATOM 493 OG SER A 51 12.793 -18.452 -11.729 1.00 22.04 O ATOM 0 H SER A 51 15.651 -20.910 -11.998 1.00 24.25 H new ATOM 0 HA SER A 51 13.421 -19.992 -13.544 1.00 34.44 H new ATOM 0 HB2 SER A 51 14.254 -19.681 -10.960 1.00 1.34 H new ATOM 0 HB3 SER A 51 14.831 -18.172 -11.639 1.00 1.34 H new ATOM 0 HG SER A 51 12.761 -17.603 -12.217 1.00 22.04 H new ATOM 499 N THR A 52 16.375 -18.765 -14.129 1.00 52.45 N ATOM 500 CA THR A 52 17.142 -17.897 -15.013 1.00 13.50 C ATOM 501 C THR A 52 17.250 -18.493 -16.412 1.00 3.21 C ATOM 502 O THR A 52 17.159 -17.779 -17.410 1.00 1.12 O ATOM 503 CB THR A 52 18.558 -17.645 -14.463 1.00 60.11 C ATOM 504 OG1 THR A 52 18.498 -16.756 -13.342 1.00 41.32 O ATOM 505 CG2 THR A 52 19.460 -17.056 -15.537 1.00 1.22 C ATOM 0 H THR A 52 16.941 -19.398 -13.564 1.00 52.45 H new ATOM 0 HA THR A 52 16.607 -16.949 -15.066 1.00 13.50 H new ATOM 0 HB THR A 52 18.975 -18.601 -14.146 1.00 60.11 H new ATOM 0 HG1 THR A 52 19.403 -16.602 -12.998 1.00 41.32 H new ATOM 0 HG21 THR A 52 20.455 -16.887 -15.124 1.00 1.22 H new ATOM 0 HG22 THR A 52 19.528 -17.749 -16.375 1.00 1.22 H new ATOM 0 HG23 THR A 52 19.045 -16.109 -15.882 1.00 1.22 H new ATOM 513 N ARG A 53 17.446 -19.806 -16.476 1.00 11.34 N ATOM 514 CA ARG A 53 17.567 -20.498 -17.753 1.00 42.15 C ATOM 515 C ARG A 53 16.397 -20.156 -18.671 1.00 61.01 C ATOM 516 O ARG A 53 16.576 -19.945 -19.870 1.00 44.35 O ATOM 517 CB ARG A 53 17.632 -22.011 -17.534 1.00 15.31 C ATOM 518 CG ARG A 53 16.699 -22.799 -18.439 1.00 4.52 C ATOM 519 CD ARG A 53 16.809 -24.294 -18.187 1.00 65.13 C ATOM 520 NE ARG A 53 15.501 -24.944 -18.169 1.00 42.04 N ATOM 521 CZ ARG A 53 15.335 -26.260 -18.099 1.00 4.03 C ATOM 522 NH1 ARG A 53 16.390 -27.062 -18.040 1.00 62.04 N ATOM 523 NH2 ARG A 53 14.113 -26.776 -18.087 1.00 23.13 N ATOM 0 H ARG A 53 17.524 -20.411 -15.659 1.00 11.34 H new ATOM 0 HA ARG A 53 18.489 -20.167 -18.230 1.00 42.15 H new ATOM 0 HB2 ARG A 53 18.655 -22.350 -17.698 1.00 15.31 H new ATOM 0 HB3 ARG A 53 17.387 -22.230 -16.495 1.00 15.31 H new ATOM 0 HG2 ARG A 53 15.671 -22.476 -18.274 1.00 4.52 H new ATOM 0 HG3 ARG A 53 16.936 -22.586 -19.481 1.00 4.52 H new ATOM 0 HD2 ARG A 53 17.428 -24.747 -18.961 1.00 65.13 H new ATOM 0 HD3 ARG A 53 17.312 -24.465 -17.235 1.00 65.13 H new ATOM 0 HE ARG A 53 14.669 -24.355 -18.213 1.00 42.04 H new ATOM 0 HH11 ARG A 53 17.331 -26.668 -18.048 1.00 62.04 H new ATOM 0 HH12 ARG A 53 16.260 -28.072 -17.986 1.00 62.04 H new ATOM 0 HH21 ARG A 53 13.300 -26.162 -18.132 1.00 23.13 H new ATOM 0 HH22 ARG A 53 13.987 -27.787 -18.033 1.00 23.13 H new ATOM 537 N VAL A 54 15.199 -20.104 -18.099 1.00 14.23 N ATOM 538 CA VAL A 54 14.000 -19.787 -18.864 1.00 75.33 C ATOM 539 C VAL A 54 14.188 -18.513 -19.679 1.00 32.22 C ATOM 540 O VAL A 54 13.522 -18.307 -20.694 1.00 75.22 O ATOM 541 CB VAL A 54 12.775 -19.618 -17.945 1.00 31.40 C ATOM 542 CG1 VAL A 54 12.839 -18.291 -17.207 1.00 43.43 C ATOM 543 CG2 VAL A 54 11.487 -19.730 -18.748 1.00 22.54 C ATOM 0 H VAL A 54 15.033 -20.277 -17.108 1.00 14.23 H new ATOM 0 HA VAL A 54 13.826 -20.625 -19.539 1.00 75.33 H new ATOM 0 HB VAL A 54 12.786 -20.418 -17.205 1.00 31.40 H new ATOM 0 HG11 VAL A 54 11.965 -18.190 -16.563 1.00 43.43 H new ATOM 0 HG12 VAL A 54 13.743 -18.256 -16.600 1.00 43.43 H new ATOM 0 HG13 VAL A 54 12.854 -17.474 -17.928 1.00 43.43 H new ATOM 0 HG21 VAL A 54 10.632 -19.608 -18.083 1.00 22.54 H new ATOM 0 HG22 VAL A 54 11.466 -18.953 -19.512 1.00 22.54 H new ATOM 0 HG23 VAL A 54 11.439 -20.709 -19.225 1.00 22.54 H new ATOM 553 N LYS A 55 15.101 -17.659 -19.229 1.00 4.03 N ATOM 554 CA LYS A 55 15.381 -16.404 -19.916 1.00 61.22 C ATOM 555 C LYS A 55 16.195 -16.647 -21.182 1.00 63.34 C ATOM 556 O LYS A 55 15.987 -15.988 -22.201 1.00 33.12 O ATOM 557 CB LYS A 55 16.133 -15.447 -18.989 1.00 65.13 C ATOM 558 CG LYS A 55 15.456 -15.246 -17.644 1.00 41.51 C ATOM 559 CD LYS A 55 16.000 -14.022 -16.924 1.00 71.04 C ATOM 560 CE LYS A 55 17.367 -14.295 -16.316 1.00 40.22 C ATOM 561 NZ LYS A 55 18.450 -14.233 -17.337 1.00 31.33 N ATOM 0 H LYS A 55 15.660 -17.814 -18.390 1.00 4.03 H new ATOM 0 HA LYS A 55 14.429 -15.953 -20.198 1.00 61.22 H new ATOM 0 HB2 LYS A 55 17.141 -15.829 -18.826 1.00 65.13 H new ATOM 0 HB3 LYS A 55 16.235 -14.481 -19.483 1.00 65.13 H new ATOM 0 HG2 LYS A 55 14.381 -15.136 -17.789 1.00 41.51 H new ATOM 0 HG3 LYS A 55 15.605 -16.130 -17.024 1.00 41.51 H new ATOM 0 HD2 LYS A 55 16.071 -13.189 -17.623 1.00 71.04 H new ATOM 0 HD3 LYS A 55 15.305 -13.721 -16.140 1.00 71.04 H new ATOM 0 HE2 LYS A 55 17.567 -13.567 -15.530 1.00 40.22 H new ATOM 0 HE3 LYS A 55 17.366 -15.279 -15.847 1.00 40.22 H new ATOM 0 HZ1 LYS A 55 19.277 -13.746 -16.937 1.00 31.33 H new ATOM 0 HZ2 LYS A 55 18.719 -15.198 -17.617 1.00 31.33 H new ATOM 0 HZ3 LYS A 55 18.111 -13.712 -18.171 1.00 31.33 H new ATOM 575 N GLU A 56 17.122 -17.598 -21.112 1.00 33.32 N ATOM 576 CA GLU A 56 17.967 -17.928 -22.254 1.00 13.31 C ATOM 577 C GLU A 56 17.123 -18.382 -23.442 1.00 11.22 C ATOM 578 O GLU A 56 17.575 -18.352 -24.587 1.00 13.11 O ATOM 579 CB GLU A 56 18.968 -19.021 -21.877 1.00 74.53 C ATOM 580 CG GLU A 56 20.305 -18.483 -21.397 1.00 42.41 C ATOM 581 CD GLU A 56 21.463 -19.394 -21.755 1.00 65.43 C ATOM 582 OE1 GLU A 56 21.218 -20.592 -22.008 1.00 22.21 O ATOM 583 OE2 GLU A 56 22.614 -18.909 -21.783 1.00 72.11 O ATOM 0 H GLU A 56 17.307 -18.153 -20.277 1.00 33.32 H new ATOM 0 HA GLU A 56 18.513 -17.030 -22.541 1.00 13.31 H new ATOM 0 HB2 GLU A 56 18.535 -19.644 -21.095 1.00 74.53 H new ATOM 0 HB3 GLU A 56 19.134 -19.664 -22.742 1.00 74.53 H new ATOM 0 HG2 GLU A 56 20.474 -17.498 -21.833 1.00 42.41 H new ATOM 0 HG3 GLU A 56 20.272 -18.351 -20.315 1.00 42.41 H new ATOM 590 N LEU A 57 15.895 -18.803 -23.160 1.00 51.13 N ATOM 591 CA LEU A 57 14.986 -19.265 -24.204 1.00 20.42 C ATOM 592 C LEU A 57 14.736 -18.167 -25.233 1.00 63.42 C ATOM 593 O LEU A 57 15.085 -18.309 -26.405 1.00 42.22 O ATOM 594 CB LEU A 57 13.660 -19.717 -23.590 1.00 12.20 C ATOM 595 CG LEU A 57 13.642 -21.123 -22.991 1.00 63.31 C ATOM 596 CD1 LEU A 57 13.833 -22.169 -24.079 1.00 24.34 C ATOM 597 CD2 LEU A 57 14.716 -21.261 -21.921 1.00 72.11 C ATOM 0 H LEU A 57 15.506 -18.834 -22.218 1.00 51.13 H new ATOM 0 HA LEU A 57 15.452 -20.111 -24.709 1.00 20.42 H new ATOM 0 HB2 LEU A 57 13.384 -19.008 -22.810 1.00 12.20 H new ATOM 0 HB3 LEU A 57 12.889 -19.661 -24.359 1.00 12.20 H new ATOM 0 HG LEU A 57 12.670 -21.286 -22.525 1.00 63.31 H new ATOM 0 HD11 LEU A 57 13.817 -23.164 -23.634 1.00 24.34 H new ATOM 0 HD12 LEU A 57 13.028 -22.086 -24.809 1.00 24.34 H new ATOM 0 HD13 LEU A 57 14.790 -22.008 -24.574 1.00 24.34 H new ATOM 0 HD21 LEU A 57 14.688 -22.268 -21.506 1.00 72.11 H new ATOM 0 HD22 LEU A 57 15.695 -21.077 -22.363 1.00 72.11 H new ATOM 0 HD23 LEU A 57 14.534 -20.536 -21.127 1.00 72.11 H new ATOM 609 N PHE A 58 14.131 -17.071 -24.786 1.00 64.11 N ATOM 610 CA PHE A 58 13.836 -15.948 -25.667 1.00 55.25 C ATOM 611 C PHE A 58 15.071 -15.544 -26.466 1.00 54.51 C ATOM 612 O PHE A 58 14.985 -15.259 -27.661 1.00 2.42 O ATOM 613 CB PHE A 58 13.325 -14.756 -24.856 1.00 5.25 C ATOM 614 CG PHE A 58 11.992 -14.997 -24.209 1.00 50.34 C ATOM 615 CD1 PHE A 58 10.866 -15.232 -24.981 1.00 74.10 C ATOM 616 CD2 PHE A 58 11.864 -14.988 -22.829 1.00 71.23 C ATOM 617 CE1 PHE A 58 9.636 -15.455 -24.390 1.00 2.35 C ATOM 618 CE2 PHE A 58 10.637 -15.210 -22.232 1.00 63.52 C ATOM 619 CZ PHE A 58 9.522 -15.443 -23.013 1.00 31.33 C ATOM 0 H PHE A 58 13.836 -16.937 -23.819 1.00 64.11 H new ATOM 0 HA PHE A 58 13.060 -16.261 -26.366 1.00 55.25 H new ATOM 0 HB2 PHE A 58 14.055 -14.512 -24.084 1.00 5.25 H new ATOM 0 HB3 PHE A 58 13.250 -13.887 -25.510 1.00 5.25 H new ATOM 0 HD1 PHE A 58 10.950 -15.241 -26.058 1.00 74.10 H new ATOM 0 HD2 PHE A 58 12.732 -14.806 -22.213 1.00 71.23 H new ATOM 0 HE1 PHE A 58 8.766 -15.638 -25.003 1.00 2.35 H new ATOM 0 HE2 PHE A 58 10.550 -15.201 -21.156 1.00 63.52 H new ATOM 0 HZ PHE A 58 8.563 -15.616 -22.548 1.00 31.33 H new ATOM 629 N SER A 59 16.219 -15.519 -25.797 1.00 74.24 N ATOM 630 CA SER A 59 17.472 -15.146 -26.442 1.00 51.41 C ATOM 631 C SER A 59 17.717 -15.994 -27.686 1.00 70.24 C ATOM 632 O SER A 59 18.047 -15.473 -28.751 1.00 44.21 O ATOM 633 CB SER A 59 18.640 -15.303 -25.466 1.00 54.21 C ATOM 634 OG SER A 59 19.699 -14.420 -25.792 1.00 0.22 O ATOM 0 H SER A 59 16.307 -15.753 -24.808 1.00 74.24 H new ATOM 0 HA SER A 59 17.398 -14.101 -26.744 1.00 51.41 H new ATOM 0 HB2 SER A 59 18.298 -15.106 -24.450 1.00 54.21 H new ATOM 0 HB3 SER A 59 19.000 -16.332 -25.487 1.00 54.21 H new ATOM 0 HG SER A 59 20.432 -14.539 -25.153 1.00 0.22 H new ATOM 640 N SER A 60 17.553 -17.305 -27.542 1.00 4.32 N ATOM 641 CA SER A 60 17.760 -18.228 -28.653 1.00 11.33 C ATOM 642 C SER A 60 16.598 -18.159 -29.640 1.00 5.12 C ATOM 643 O SER A 60 16.632 -18.785 -30.700 1.00 13.31 O ATOM 644 CB SER A 60 17.918 -19.658 -28.132 1.00 12.53 C ATOM 645 OG SER A 60 19.282 -20.040 -28.096 1.00 52.30 O ATOM 0 H SER A 60 17.278 -17.752 -26.668 1.00 4.32 H new ATOM 0 HA SER A 60 18.673 -17.935 -29.172 1.00 11.33 H new ATOM 0 HB2 SER A 60 17.489 -19.734 -27.133 1.00 12.53 H new ATOM 0 HB3 SER A 60 17.362 -20.344 -28.770 1.00 12.53 H new ATOM 0 HG SER A 60 19.356 -20.957 -27.758 1.00 52.30 H new ATOM 651 N LEU A 61 15.572 -17.395 -29.283 1.00 10.22 N ATOM 652 CA LEU A 61 14.399 -17.243 -30.136 1.00 12.12 C ATOM 653 C LEU A 61 14.534 -16.018 -31.035 1.00 12.01 C ATOM 654 O LEU A 61 13.577 -15.608 -31.691 1.00 23.22 O ATOM 655 CB LEU A 61 13.135 -17.126 -29.283 1.00 71.41 C ATOM 656 CG LEU A 61 11.916 -17.907 -29.777 1.00 21.41 C ATOM 657 CD1 LEU A 61 11.747 -17.737 -31.279 1.00 52.13 C ATOM 658 CD2 LEU A 61 12.045 -19.380 -29.417 1.00 34.41 C ATOM 0 H LEU A 61 15.529 -16.871 -28.409 1.00 10.22 H new ATOM 0 HA LEU A 61 14.323 -18.128 -30.768 1.00 12.12 H new ATOM 0 HB2 LEU A 61 13.371 -17.460 -28.273 1.00 71.41 H new ATOM 0 HB3 LEU A 61 12.863 -16.073 -29.215 1.00 71.41 H new ATOM 0 HG LEU A 61 11.029 -17.509 -29.284 1.00 21.41 H new ATOM 0 HD11 LEU A 61 10.875 -18.299 -31.613 1.00 52.13 H new ATOM 0 HD12 LEU A 61 11.609 -16.681 -31.512 1.00 52.13 H new ATOM 0 HD13 LEU A 61 12.636 -18.108 -31.789 1.00 52.13 H new ATOM 0 HD21 LEU A 61 11.169 -19.920 -29.776 1.00 34.41 H new ATOM 0 HD22 LEU A 61 12.941 -19.791 -29.882 1.00 34.41 H new ATOM 0 HD23 LEU A 61 12.118 -19.485 -28.334 1.00 34.41 H new ATOM 670 N GLY A 62 15.730 -15.439 -31.062 1.00 10.35 N ATOM 671 CA GLY A 62 15.970 -14.268 -31.884 1.00 72.03 C ATOM 672 C GLY A 62 15.220 -13.047 -31.388 1.00 0.21 C ATOM 673 O GLY A 62 15.206 -12.008 -32.047 1.00 53.14 O ATOM 0 H GLY A 62 16.538 -15.760 -30.529 1.00 10.35 H new ATOM 0 HA2 GLY A 62 17.038 -14.052 -31.900 1.00 72.03 H new ATOM 0 HA3 GLY A 62 15.672 -14.481 -32.911 1.00 72.03 H new ATOM 677 N VAL A 63 14.593 -13.173 -30.223 1.00 12.25 N ATOM 678 CA VAL A 63 13.838 -12.071 -29.638 1.00 75.15 C ATOM 679 C VAL A 63 14.559 -11.492 -28.427 1.00 34.12 C ATOM 680 O VAL A 63 15.205 -12.217 -27.669 1.00 54.14 O ATOM 681 CB VAL A 63 12.426 -12.521 -29.216 1.00 22.34 C ATOM 682 CG1 VAL A 63 12.448 -13.092 -27.806 1.00 13.13 C ATOM 683 CG2 VAL A 63 11.445 -11.363 -29.316 1.00 43.40 C ATOM 0 H VAL A 63 14.593 -14.027 -29.665 1.00 12.25 H new ATOM 0 HA VAL A 63 13.752 -11.303 -30.406 1.00 75.15 H new ATOM 0 HB VAL A 63 12.095 -13.306 -29.896 1.00 22.34 H new ATOM 0 HG11 VAL A 63 11.443 -13.405 -27.524 1.00 13.13 H new ATOM 0 HG12 VAL A 63 13.118 -13.951 -27.772 1.00 13.13 H new ATOM 0 HG13 VAL A 63 12.799 -12.330 -27.110 1.00 13.13 H new ATOM 0 HG21 VAL A 63 10.453 -11.699 -29.014 1.00 43.40 H new ATOM 0 HG22 VAL A 63 11.769 -10.554 -28.661 1.00 43.40 H new ATOM 0 HG23 VAL A 63 11.409 -11.004 -30.345 1.00 43.40 H new ATOM 693 N VAL A 64 14.444 -10.180 -28.249 1.00 43.24 N ATOM 694 CA VAL A 64 15.084 -9.501 -27.128 1.00 70.22 C ATOM 695 C VAL A 64 14.143 -9.409 -25.932 1.00 23.44 C ATOM 696 O VAL A 64 12.923 -9.349 -26.091 1.00 23.31 O ATOM 697 CB VAL A 64 15.541 -8.083 -27.517 1.00 4.30 C ATOM 698 CG1 VAL A 64 14.364 -7.262 -28.022 1.00 44.13 C ATOM 699 CG2 VAL A 64 16.213 -7.397 -26.336 1.00 73.44 C ATOM 0 H VAL A 64 13.914 -9.566 -28.867 1.00 43.24 H new ATOM 0 HA VAL A 64 15.957 -10.094 -26.856 1.00 70.22 H new ATOM 0 HB VAL A 64 16.270 -8.163 -28.324 1.00 4.30 H new ATOM 0 HG11 VAL A 64 14.706 -6.263 -28.292 1.00 44.13 H new ATOM 0 HG12 VAL A 64 13.931 -7.746 -28.897 1.00 44.13 H new ATOM 0 HG13 VAL A 64 13.610 -7.188 -27.239 1.00 44.13 H new ATOM 0 HG21 VAL A 64 16.530 -6.396 -26.629 1.00 73.44 H new ATOM 0 HG22 VAL A 64 15.509 -7.327 -25.507 1.00 73.44 H new ATOM 0 HG23 VAL A 64 17.083 -7.976 -26.025 1.00 73.44 H new ATOM 709 N TYR A 65 14.718 -9.399 -24.734 1.00 50.13 N ATOM 710 CA TYR A 65 13.931 -9.317 -23.510 1.00 12.31 C ATOM 711 C TYR A 65 14.698 -8.578 -22.417 1.00 41.23 C ATOM 712 O TYR A 65 15.863 -8.225 -22.593 1.00 10.33 O ATOM 713 CB TYR A 65 13.554 -10.717 -23.026 1.00 34.20 C ATOM 714 CG TYR A 65 14.746 -11.611 -22.768 1.00 15.30 C ATOM 715 CD1 TYR A 65 15.348 -12.313 -23.804 1.00 23.20 C ATOM 716 CD2 TYR A 65 15.270 -11.751 -21.489 1.00 45.34 C ATOM 717 CE1 TYR A 65 16.438 -13.132 -23.573 1.00 53.43 C ATOM 718 CE2 TYR A 65 16.361 -12.566 -21.250 1.00 14.34 C ATOM 719 CZ TYR A 65 16.940 -13.254 -22.295 1.00 43.12 C ATOM 720 OH TYR A 65 18.026 -14.066 -22.062 1.00 24.15 O ATOM 0 H TYR A 65 15.726 -9.447 -24.585 1.00 50.13 H new ATOM 0 HA TYR A 65 13.021 -8.759 -23.731 1.00 12.31 H new ATOM 0 HB2 TYR A 65 12.971 -10.630 -22.109 1.00 34.20 H new ATOM 0 HB3 TYR A 65 12.911 -11.188 -23.770 1.00 34.20 H new ATOM 0 HD1 TYR A 65 14.958 -12.218 -24.807 1.00 23.20 H new ATOM 0 HD2 TYR A 65 14.818 -11.214 -20.668 1.00 45.34 H new ATOM 0 HE1 TYR A 65 16.893 -13.673 -24.389 1.00 53.43 H new ATOM 0 HE2 TYR A 65 16.757 -12.663 -20.250 1.00 14.34 H new ATOM 0 HH TYR A 65 18.255 -14.040 -21.110 1.00 24.15 H new ATOM 730 N ASN A 66 14.035 -8.350 -21.288 1.00 53.12 N ATOM 731 CA ASN A 66 14.653 -7.653 -20.166 1.00 21.42 C ATOM 732 C ASN A 66 14.886 -8.606 -18.998 1.00 3.14 C ATOM 733 O ASN A 66 13.990 -9.351 -18.602 1.00 51.13 O ATOM 734 CB ASN A 66 13.774 -6.484 -19.717 1.00 44.35 C ATOM 735 CG ASN A 66 14.313 -5.145 -20.183 1.00 53.32 C ATOM 736 OD1 ASN A 66 15.009 -5.061 -21.195 1.00 72.45 O ATOM 737 ND2 ASN A 66 13.992 -4.088 -19.445 1.00 30.40 N ATOM 0 H ASN A 66 13.070 -8.638 -21.126 1.00 53.12 H new ATOM 0 HA ASN A 66 15.617 -7.267 -20.496 1.00 21.42 H new ATOM 0 HB2 ASN A 66 12.765 -6.622 -20.105 1.00 44.35 H new ATOM 0 HB3 ASN A 66 13.700 -6.485 -18.629 1.00 44.35 H new ATOM 0 HD21 ASN A 66 14.325 -3.161 -19.710 1.00 30.40 H new ATOM 0 HD22 ASN A 66 13.412 -4.203 -18.614 1.00 30.40 H new ATOM 744 N ILE A 67 16.096 -8.575 -18.448 1.00 41.22 N ATOM 745 CA ILE A 67 16.446 -9.433 -17.324 1.00 2.23 C ATOM 746 C ILE A 67 16.484 -8.644 -16.020 1.00 75.11 C ATOM 747 O ILE A 67 17.288 -7.725 -15.861 1.00 11.41 O ATOM 748 CB ILE A 67 17.812 -10.113 -17.539 1.00 12.54 C ATOM 749 CG1 ILE A 67 17.877 -10.747 -18.930 1.00 31.43 C ATOM 750 CG2 ILE A 67 18.058 -11.158 -16.461 1.00 65.14 C ATOM 751 CD1 ILE A 67 18.658 -9.926 -19.932 1.00 64.23 C ATOM 0 H ILE A 67 16.850 -7.964 -18.763 1.00 41.22 H new ATOM 0 HA ILE A 67 15.673 -10.199 -17.260 1.00 2.23 H new ATOM 0 HB ILE A 67 18.594 -9.357 -17.469 1.00 12.54 H new ATOM 0 HG12 ILE A 67 18.331 -11.735 -18.849 1.00 31.43 H new ATOM 0 HG13 ILE A 67 16.863 -10.891 -19.302 1.00 31.43 H new ATOM 0 HG21 ILE A 67 19.027 -11.630 -16.626 1.00 65.14 H new ATOM 0 HG22 ILE A 67 18.050 -10.679 -15.482 1.00 65.14 H new ATOM 0 HG23 ILE A 67 17.274 -11.914 -16.502 1.00 65.14 H new ATOM 0 HD11 ILE A 67 18.662 -10.436 -20.895 1.00 64.23 H new ATOM 0 HD12 ILE A 67 18.192 -8.947 -20.042 1.00 64.23 H new ATOM 0 HD13 ILE A 67 19.683 -9.803 -19.582 1.00 64.23 H new ATOM 763 N LEU A 68 15.610 -9.009 -15.089 1.00 31.22 N ATOM 764 CA LEU A 68 15.544 -8.337 -13.796 1.00 52.40 C ATOM 765 C LEU A 68 15.589 -9.346 -12.653 1.00 65.25 C ATOM 766 O LEU A 68 14.859 -10.336 -12.659 1.00 1.13 O ATOM 767 CB LEU A 68 14.267 -7.499 -13.700 1.00 4.11 C ATOM 768 CG LEU A 68 13.719 -6.959 -15.020 1.00 52.14 C ATOM 769 CD1 LEU A 68 12.800 -7.980 -15.674 1.00 52.20 C ATOM 770 CD2 LEU A 68 12.984 -5.645 -14.796 1.00 74.41 C ATOM 0 H LEU A 68 14.937 -9.767 -15.205 1.00 31.22 H new ATOM 0 HA LEU A 68 16.411 -7.681 -13.711 1.00 52.40 H new ATOM 0 HB2 LEU A 68 13.493 -8.105 -13.229 1.00 4.11 H new ATOM 0 HB3 LEU A 68 14.459 -6.655 -13.037 1.00 4.11 H new ATOM 0 HG LEU A 68 14.558 -6.773 -15.690 1.00 52.14 H new ATOM 0 HD11 LEU A 68 12.419 -7.578 -16.613 1.00 52.20 H new ATOM 0 HD12 LEU A 68 13.356 -8.897 -15.871 1.00 52.20 H new ATOM 0 HD13 LEU A 68 11.965 -8.198 -15.008 1.00 52.20 H new ATOM 0 HD21 LEU A 68 12.601 -5.276 -15.747 1.00 74.41 H new ATOM 0 HD22 LEU A 68 12.154 -5.805 -14.108 1.00 74.41 H new ATOM 0 HD23 LEU A 68 13.670 -4.912 -14.372 1.00 74.41 H new ATOM 782 N GLU A 69 16.452 -9.087 -11.676 1.00 10.15 N ATOM 783 CA GLU A 69 16.591 -9.974 -10.525 1.00 52.34 C ATOM 784 C GLU A 69 16.009 -9.331 -9.270 1.00 32.11 C ATOM 785 O GLU A 69 16.569 -8.376 -8.730 1.00 61.01 O ATOM 786 CB GLU A 69 18.063 -10.322 -10.297 1.00 42.13 C ATOM 787 CG GLU A 69 18.806 -10.689 -11.571 1.00 20.00 C ATOM 788 CD GLU A 69 20.238 -11.113 -11.310 1.00 22.42 C ATOM 789 OE1 GLU A 69 20.841 -10.601 -10.343 1.00 34.22 O ATOM 790 OE2 GLU A 69 20.757 -11.957 -12.071 1.00 15.24 O ATOM 0 H GLU A 69 17.065 -8.272 -11.657 1.00 10.15 H new ATOM 0 HA GLU A 69 16.037 -10.889 -10.734 1.00 52.34 H new ATOM 0 HB2 GLU A 69 18.560 -9.473 -9.828 1.00 42.13 H new ATOM 0 HB3 GLU A 69 18.127 -11.155 -9.597 1.00 42.13 H new ATOM 0 HG2 GLU A 69 18.278 -11.498 -12.075 1.00 20.00 H new ATOM 0 HG3 GLU A 69 18.802 -9.835 -12.248 1.00 20.00 H new ATOM 797 N LEU A 70 14.881 -9.862 -8.810 1.00 53.12 N ATOM 798 CA LEU A 70 14.221 -9.340 -7.618 1.00 34.42 C ATOM 799 C LEU A 70 15.127 -9.461 -6.397 1.00 54.23 C ATOM 800 O LEU A 70 14.898 -8.814 -5.376 1.00 14.12 O ATOM 801 CB LEU A 70 12.909 -10.089 -7.370 1.00 45.50 C ATOM 802 CG LEU A 70 12.948 -11.602 -7.584 1.00 21.32 C ATOM 803 CD1 LEU A 70 12.405 -12.329 -6.363 1.00 45.54 C ATOM 804 CD2 LEU A 70 12.161 -11.985 -8.829 1.00 2.11 C ATOM 0 H LEU A 70 14.405 -10.653 -9.244 1.00 53.12 H new ATOM 0 HA LEU A 70 14.005 -8.285 -7.784 1.00 34.42 H new ATOM 0 HB2 LEU A 70 12.592 -9.895 -6.345 1.00 45.50 H new ATOM 0 HB3 LEU A 70 12.145 -9.669 -8.025 1.00 45.50 H new ATOM 0 HG LEU A 70 13.986 -11.902 -7.728 1.00 21.32 H new ATOM 0 HD11 LEU A 70 12.441 -13.405 -6.534 1.00 45.54 H new ATOM 0 HD12 LEU A 70 13.011 -12.080 -5.492 1.00 45.54 H new ATOM 0 HD13 LEU A 70 11.374 -12.024 -6.187 1.00 45.54 H new ATOM 0 HD21 LEU A 70 12.200 -13.066 -8.966 1.00 2.11 H new ATOM 0 HD22 LEU A 70 11.124 -11.671 -8.715 1.00 2.11 H new ATOM 0 HD23 LEU A 70 12.595 -11.493 -9.700 1.00 2.11 H new ATOM 816 N ASP A 71 16.158 -10.291 -6.512 1.00 35.43 N ATOM 817 CA ASP A 71 17.101 -10.494 -5.418 1.00 63.02 C ATOM 818 C ASP A 71 18.084 -9.331 -5.326 1.00 62.15 C ATOM 819 O ASP A 71 18.918 -9.282 -4.423 1.00 4.51 O ATOM 820 CB ASP A 71 17.862 -11.807 -5.610 1.00 14.42 C ATOM 821 CG ASP A 71 18.219 -12.467 -4.293 1.00 5.35 C ATOM 822 OD1 ASP A 71 17.359 -12.486 -3.386 1.00 23.41 O ATOM 823 OD2 ASP A 71 19.358 -12.963 -4.168 1.00 0.33 O ATOM 0 H ASP A 71 16.362 -10.834 -7.351 1.00 35.43 H new ATOM 0 HA ASP A 71 16.536 -10.543 -4.487 1.00 63.02 H new ATOM 0 HB2 ASP A 71 17.256 -12.491 -6.203 1.00 14.42 H new ATOM 0 HB3 ASP A 71 18.774 -11.616 -6.176 1.00 14.42 H new ATOM 828 N GLN A 72 17.979 -8.399 -6.268 1.00 3.32 N ATOM 829 CA GLN A 72 18.861 -7.237 -6.294 1.00 20.52 C ATOM 830 C GLN A 72 18.069 -5.948 -6.100 1.00 62.12 C ATOM 831 O GLN A 72 18.620 -4.923 -5.700 1.00 5.32 O ATOM 832 CB GLN A 72 19.631 -7.184 -7.615 1.00 33.45 C ATOM 833 CG GLN A 72 20.919 -7.990 -7.601 1.00 24.20 C ATOM 834 CD GLN A 72 22.004 -7.371 -8.461 1.00 70.32 C ATOM 835 OE1 GLN A 72 22.540 -6.311 -8.138 1.00 21.23 O ATOM 836 NE2 GLN A 72 22.334 -8.033 -9.564 1.00 11.43 N ATOM 0 H GLN A 72 17.293 -8.425 -7.022 1.00 3.32 H new ATOM 0 HA GLN A 72 19.571 -7.332 -5.472 1.00 20.52 H new ATOM 0 HB2 GLN A 72 18.990 -7.554 -8.415 1.00 33.45 H new ATOM 0 HB3 GLN A 72 19.865 -6.145 -7.848 1.00 33.45 H new ATOM 0 HG2 GLN A 72 21.278 -8.076 -6.576 1.00 24.20 H new ATOM 0 HG3 GLN A 72 20.714 -9.001 -7.953 1.00 24.20 H new ATOM 0 HE21 GLN A 72 21.864 -8.909 -9.793 1.00 11.43 H new ATOM 0 HE22 GLN A 72 23.058 -7.666 -10.182 1.00 11.43 H new ATOM 845 N VAL A 73 16.773 -6.007 -6.389 1.00 70.21 N ATOM 846 CA VAL A 73 15.904 -4.845 -6.246 1.00 62.04 C ATOM 847 C VAL A 73 15.890 -4.343 -4.807 1.00 2.24 C ATOM 848 O VAL A 73 16.664 -4.807 -3.969 1.00 52.43 O ATOM 849 CB VAL A 73 14.462 -5.165 -6.681 1.00 71.03 C ATOM 850 CG1 VAL A 73 14.439 -5.697 -8.105 1.00 52.15 C ATOM 851 CG2 VAL A 73 13.825 -6.160 -5.722 1.00 73.10 C ATOM 0 H VAL A 73 16.302 -6.847 -6.724 1.00 70.21 H new ATOM 0 HA VAL A 73 16.307 -4.067 -6.895 1.00 62.04 H new ATOM 0 HB VAL A 73 13.880 -4.244 -6.653 1.00 71.03 H new ATOM 0 HG11 VAL A 73 13.412 -5.917 -8.395 1.00 52.15 H new ATOM 0 HG12 VAL A 73 14.853 -4.948 -8.780 1.00 52.15 H new ATOM 0 HG13 VAL A 73 15.036 -6.607 -8.163 1.00 52.15 H new ATOM 0 HG21 VAL A 73 12.806 -6.375 -6.044 1.00 73.10 H new ATOM 0 HG22 VAL A 73 14.406 -7.082 -5.716 1.00 73.10 H new ATOM 0 HG23 VAL A 73 13.806 -5.736 -4.718 1.00 73.10 H new ATOM 861 N ASP A 74 15.005 -3.393 -4.527 1.00 33.35 N ATOM 862 CA ASP A 74 14.887 -2.828 -3.187 1.00 23.35 C ATOM 863 C ASP A 74 13.774 -3.515 -2.403 1.00 72.40 C ATOM 864 O ASP A 74 13.947 -3.861 -1.234 1.00 74.13 O ATOM 865 CB ASP A 74 14.620 -1.325 -3.266 1.00 42.20 C ATOM 866 CG ASP A 74 15.824 -0.547 -3.761 1.00 31.24 C ATOM 867 OD1 ASP A 74 16.352 -0.894 -4.838 1.00 24.11 O ATOM 868 OD2 ASP A 74 16.238 0.408 -3.071 1.00 72.15 O ATOM 0 H ASP A 74 14.359 -2.998 -5.210 1.00 33.35 H new ATOM 0 HA ASP A 74 15.829 -2.994 -2.665 1.00 23.35 H new ATOM 0 HB2 ASP A 74 13.776 -1.144 -3.931 1.00 42.20 H new ATOM 0 HB3 ASP A 74 14.334 -0.958 -2.280 1.00 42.20 H new ATOM 873 N ASP A 75 12.632 -3.708 -3.054 1.00 1.45 N ATOM 874 CA ASP A 75 11.489 -4.353 -2.417 1.00 61.35 C ATOM 875 C ASP A 75 11.476 -5.850 -2.714 1.00 52.43 C ATOM 876 O ASP A 75 10.418 -6.478 -2.739 1.00 2.13 O ATOM 877 CB ASP A 75 10.184 -3.714 -2.894 1.00 22.40 C ATOM 878 CG ASP A 75 10.254 -2.200 -2.911 1.00 63.02 C ATOM 879 OD1 ASP A 75 10.771 -1.619 -1.934 1.00 1.53 O ATOM 880 OD2 ASP A 75 9.792 -1.595 -3.901 1.00 70.44 O ATOM 0 H ASP A 75 12.473 -3.427 -4.022 1.00 1.45 H new ATOM 0 HA ASP A 75 11.578 -4.215 -1.339 1.00 61.35 H new ATOM 0 HB2 ASP A 75 9.951 -4.075 -3.896 1.00 22.40 H new ATOM 0 HB3 ASP A 75 9.369 -4.030 -2.243 1.00 22.40 H new ATOM 885 N GLY A 76 12.657 -6.414 -2.941 1.00 43.32 N ATOM 886 CA GLY A 76 12.759 -7.832 -3.235 1.00 11.01 C ATOM 887 C GLY A 76 11.909 -8.678 -2.308 1.00 1.00 C ATOM 888 O GLY A 76 11.270 -9.635 -2.743 1.00 34.00 O ATOM 0 H GLY A 76 13.546 -5.915 -2.927 1.00 43.32 H new ATOM 0 HA2 GLY A 76 12.453 -8.009 -4.266 1.00 11.01 H new ATOM 0 HA3 GLY A 76 13.800 -8.143 -3.153 1.00 11.01 H new ATOM 892 N ALA A 77 11.903 -8.326 -1.027 1.00 51.31 N ATOM 893 CA ALA A 77 11.125 -9.060 -0.037 1.00 54.31 C ATOM 894 C ALA A 77 9.676 -9.221 -0.486 1.00 2.01 C ATOM 895 O ALA A 77 9.173 -10.338 -0.600 1.00 74.42 O ATOM 896 CB ALA A 77 11.186 -8.356 1.310 1.00 12.43 C ATOM 0 H ALA A 77 12.428 -7.537 -0.650 1.00 51.31 H new ATOM 0 HA ALA A 77 11.559 -10.055 0.065 1.00 54.31 H new ATOM 0 HB1 ALA A 77 10.600 -8.915 2.040 1.00 12.43 H new ATOM 0 HB2 ALA A 77 12.222 -8.298 1.644 1.00 12.43 H new ATOM 0 HB3 ALA A 77 10.779 -7.349 1.213 1.00 12.43 H new ATOM 902 N SER A 78 9.011 -8.099 -0.739 1.00 44.35 N ATOM 903 CA SER A 78 7.619 -8.117 -1.172 1.00 44.54 C ATOM 904 C SER A 78 7.500 -8.643 -2.600 1.00 22.13 C ATOM 905 O SER A 78 6.584 -9.402 -2.919 1.00 2.41 O ATOM 906 CB SER A 78 7.018 -6.712 -1.083 1.00 75.44 C ATOM 907 OG SER A 78 8.032 -5.722 -1.091 1.00 52.22 O ATOM 0 H SER A 78 9.414 -7.166 -0.652 1.00 44.35 H new ATOM 0 HA SER A 78 7.067 -8.785 -0.510 1.00 44.54 H new ATOM 0 HB2 SER A 78 6.340 -6.549 -1.921 1.00 75.44 H new ATOM 0 HB3 SER A 78 6.426 -6.623 -0.172 1.00 75.44 H new ATOM 0 HG SER A 78 7.622 -4.834 -1.035 1.00 52.22 H new ATOM 913 N VAL A 79 8.433 -8.236 -3.454 1.00 42.41 N ATOM 914 CA VAL A 79 8.435 -8.668 -4.847 1.00 4.52 C ATOM 915 C VAL A 79 8.250 -10.177 -4.955 1.00 60.00 C ATOM 916 O VAL A 79 7.240 -10.651 -5.473 1.00 71.15 O ATOM 917 CB VAL A 79 9.744 -8.270 -5.555 1.00 50.34 C ATOM 918 CG1 VAL A 79 9.928 -9.078 -6.830 1.00 72.11 C ATOM 919 CG2 VAL A 79 9.755 -6.778 -5.854 1.00 33.23 C ATOM 0 H VAL A 79 9.197 -7.608 -3.206 1.00 42.41 H new ATOM 0 HA VAL A 79 7.599 -8.167 -5.335 1.00 4.52 H new ATOM 0 HB VAL A 79 10.579 -8.491 -4.889 1.00 50.34 H new ATOM 0 HG11 VAL A 79 10.858 -8.783 -7.317 1.00 72.11 H new ATOM 0 HG12 VAL A 79 9.967 -10.140 -6.586 1.00 72.11 H new ATOM 0 HG13 VAL A 79 9.091 -8.891 -7.503 1.00 72.11 H new ATOM 0 HG21 VAL A 79 10.687 -6.514 -6.354 1.00 33.23 H new ATOM 0 HG22 VAL A 79 8.913 -6.530 -6.501 1.00 33.23 H new ATOM 0 HG23 VAL A 79 9.673 -6.219 -4.922 1.00 33.23 H new ATOM 929 N GLN A 80 9.232 -10.924 -4.461 1.00 72.33 N ATOM 930 CA GLN A 80 9.176 -12.381 -4.503 1.00 21.11 C ATOM 931 C GLN A 80 7.946 -12.900 -3.766 1.00 20.20 C ATOM 932 O GLN A 80 7.451 -13.989 -4.057 1.00 4.25 O ATOM 933 CB GLN A 80 10.444 -12.978 -3.889 1.00 32.13 C ATOM 934 CG GLN A 80 10.824 -14.329 -4.473 1.00 22.32 C ATOM 935 CD GLN A 80 10.657 -15.463 -3.479 1.00 1.41 C ATOM 936 OE1 GLN A 80 9.779 -15.423 -2.616 1.00 64.24 O ATOM 937 NE2 GLN A 80 11.501 -16.481 -3.595 1.00 50.21 N ATOM 0 H GLN A 80 10.074 -10.546 -4.028 1.00 72.33 H new ATOM 0 HA GLN A 80 9.107 -12.688 -5.547 1.00 21.11 H new ATOM 0 HB2 GLN A 80 11.271 -12.283 -4.035 1.00 32.13 H new ATOM 0 HB3 GLN A 80 10.302 -13.083 -2.813 1.00 32.13 H new ATOM 0 HG2 GLN A 80 10.209 -14.527 -5.351 1.00 22.32 H new ATOM 0 HG3 GLN A 80 11.860 -14.296 -4.810 1.00 22.32 H new ATOM 0 HE21 GLN A 80 12.213 -16.472 -4.325 1.00 50.21 H new ATOM 0 HE22 GLN A 80 11.437 -17.272 -2.954 1.00 50.21 H new ATOM 946 N GLU A 81 7.459 -12.115 -2.811 1.00 11.20 N ATOM 947 CA GLU A 81 6.287 -12.497 -2.032 1.00 14.43 C ATOM 948 C GLU A 81 5.050 -12.595 -2.921 1.00 3.31 C ATOM 949 O GLU A 81 4.304 -13.572 -2.860 1.00 22.31 O ATOM 950 CB GLU A 81 6.042 -11.488 -0.908 1.00 50.33 C ATOM 951 CG GLU A 81 5.534 -12.118 0.377 1.00 50.21 C ATOM 952 CD GLU A 81 6.287 -11.636 1.601 1.00 10.33 C ATOM 953 OE1 GLU A 81 7.375 -12.181 1.881 1.00 50.03 O ATOM 954 OE2 GLU A 81 5.788 -10.714 2.280 1.00 11.51 O ATOM 0 H GLU A 81 7.858 -11.211 -2.558 1.00 11.20 H new ATOM 0 HA GLU A 81 6.478 -13.477 -1.595 1.00 14.43 H new ATOM 0 HB2 GLU A 81 6.971 -10.957 -0.700 1.00 50.33 H new ATOM 0 HB3 GLU A 81 5.320 -10.746 -1.249 1.00 50.33 H new ATOM 0 HG2 GLU A 81 4.474 -11.891 0.494 1.00 50.21 H new ATOM 0 HG3 GLU A 81 5.622 -13.202 0.305 1.00 50.21 H new ATOM 961 N VAL A 82 4.840 -11.574 -3.746 1.00 32.32 N ATOM 962 CA VAL A 82 3.696 -11.544 -4.648 1.00 33.41 C ATOM 963 C VAL A 82 4.020 -12.230 -5.970 1.00 52.44 C ATOM 964 O VAL A 82 3.123 -12.663 -6.695 1.00 73.11 O ATOM 965 CB VAL A 82 3.240 -10.099 -4.930 1.00 31.22 C ATOM 966 CG1 VAL A 82 1.731 -10.040 -5.110 1.00 21.22 C ATOM 967 CG2 VAL A 82 3.689 -9.172 -3.810 1.00 75.23 C ATOM 0 H VAL A 82 5.448 -10.757 -3.808 1.00 32.32 H new ATOM 0 HA VAL A 82 2.888 -12.081 -4.152 1.00 33.41 H new ATOM 0 HB VAL A 82 3.705 -9.764 -5.857 1.00 31.22 H new ATOM 0 HG11 VAL A 82 1.428 -9.012 -5.308 1.00 21.22 H new ATOM 0 HG12 VAL A 82 1.440 -10.672 -5.949 1.00 21.22 H new ATOM 0 HG13 VAL A 82 1.242 -10.394 -4.202 1.00 21.22 H new ATOM 0 HG21 VAL A 82 3.359 -8.156 -4.025 1.00 75.23 H new ATOM 0 HG22 VAL A 82 3.254 -9.503 -2.867 1.00 75.23 H new ATOM 0 HG23 VAL A 82 4.776 -9.192 -3.735 1.00 75.23 H new ATOM 977 N LEU A 83 5.308 -12.326 -6.281 1.00 2.55 N ATOM 978 CA LEU A 83 5.752 -12.959 -7.517 1.00 20.41 C ATOM 979 C LEU A 83 5.736 -14.479 -7.385 1.00 74.02 C ATOM 980 O LEU A 83 5.244 -15.185 -8.268 1.00 4.35 O ATOM 981 CB LEU A 83 7.159 -12.483 -7.880 1.00 44.14 C ATOM 982 CG LEU A 83 7.506 -12.488 -9.370 1.00 25.34 C ATOM 983 CD1 LEU A 83 7.232 -13.855 -9.977 1.00 40.04 C ATOM 984 CD2 LEU A 83 6.723 -11.409 -10.103 1.00 34.42 C ATOM 0 H LEU A 83 6.063 -11.973 -5.693 1.00 2.55 H new ATOM 0 HA LEU A 83 5.062 -12.673 -8.311 1.00 20.41 H new ATOM 0 HB2 LEU A 83 7.287 -11.469 -7.501 1.00 44.14 H new ATOM 0 HB3 LEU A 83 7.880 -13.112 -7.357 1.00 44.14 H new ATOM 0 HG LEU A 83 8.569 -12.273 -9.477 1.00 25.34 H new ATOM 0 HD11 LEU A 83 7.485 -13.840 -11.037 1.00 40.04 H new ATOM 0 HD12 LEU A 83 7.838 -14.606 -9.470 1.00 40.04 H new ATOM 0 HD13 LEU A 83 6.177 -14.101 -9.859 1.00 40.04 H new ATOM 0 HD21 LEU A 83 6.982 -11.427 -11.162 1.00 34.42 H new ATOM 0 HD22 LEU A 83 5.655 -11.593 -9.988 1.00 34.42 H new ATOM 0 HD23 LEU A 83 6.970 -10.433 -9.685 1.00 34.42 H new ATOM 996 N THR A 84 6.274 -14.979 -6.278 1.00 63.30 N ATOM 997 CA THR A 84 6.321 -16.414 -6.030 1.00 44.22 C ATOM 998 C THR A 84 4.930 -17.032 -6.117 1.00 4.12 C ATOM 999 O THR A 84 4.787 -18.226 -6.378 1.00 24.03 O ATOM 1000 CB THR A 84 6.924 -16.727 -4.648 1.00 32.04 C ATOM 1001 OG1 THR A 84 8.330 -16.456 -4.653 1.00 42.33 O ATOM 1002 CG2 THR A 84 6.684 -18.180 -4.268 1.00 62.50 C ATOM 0 H THR A 84 6.684 -14.410 -5.537 1.00 63.30 H new ATOM 0 HA THR A 84 6.958 -16.847 -6.801 1.00 44.22 H new ATOM 0 HB THR A 84 6.435 -16.090 -3.911 1.00 32.04 H new ATOM 0 HG1 THR A 84 8.477 -15.494 -4.769 1.00 42.33 H new ATOM 0 HG21 THR A 84 7.119 -18.376 -3.288 1.00 62.50 H new ATOM 0 HG22 THR A 84 5.612 -18.375 -4.235 1.00 62.50 H new ATOM 0 HG23 THR A 84 7.149 -18.831 -5.008 1.00 62.50 H new ATOM 1010 N GLU A 85 3.907 -16.211 -5.897 1.00 45.10 N ATOM 1011 CA GLU A 85 2.528 -16.680 -5.951 1.00 12.33 C ATOM 1012 C GLU A 85 2.026 -16.728 -7.391 1.00 0.21 C ATOM 1013 O GLU A 85 1.097 -17.471 -7.710 1.00 40.11 O ATOM 1014 CB GLU A 85 1.625 -15.770 -5.115 1.00 31.14 C ATOM 1015 CG GLU A 85 1.103 -16.429 -3.848 1.00 43.13 C ATOM 1016 CD GLU A 85 -0.049 -17.377 -4.116 1.00 14.43 C ATOM 1017 OE1 GLU A 85 -0.020 -18.070 -5.154 1.00 24.23 O ATOM 1018 OE2 GLU A 85 -0.981 -17.425 -3.286 1.00 31.44 O ATOM 0 H GLU A 85 4.008 -15.219 -5.680 1.00 45.10 H new ATOM 0 HA GLU A 85 2.497 -17.689 -5.540 1.00 12.33 H new ATOM 0 HB2 GLU A 85 2.179 -14.871 -4.845 1.00 31.14 H new ATOM 0 HB3 GLU A 85 0.779 -15.452 -5.724 1.00 31.14 H new ATOM 0 HG2 GLU A 85 1.914 -16.976 -3.367 1.00 43.13 H new ATOM 0 HG3 GLU A 85 0.779 -15.658 -3.149 1.00 43.13 H new ATOM 1025 N ILE A 86 2.646 -15.932 -8.254 1.00 51.35 N ATOM 1026 CA ILE A 86 2.263 -15.884 -9.660 1.00 52.04 C ATOM 1027 C ILE A 86 2.399 -17.255 -10.314 1.00 40.02 C ATOM 1028 O ILE A 86 1.555 -17.660 -11.112 1.00 34.30 O ATOM 1029 CB ILE A 86 3.115 -14.867 -10.442 1.00 2.31 C ATOM 1030 CG1 ILE A 86 2.964 -13.470 -9.837 1.00 3.40 C ATOM 1031 CG2 ILE A 86 2.716 -14.860 -11.910 1.00 43.14 C ATOM 1032 CD1 ILE A 86 3.729 -12.401 -10.586 1.00 73.43 C ATOM 0 H ILE A 86 3.416 -15.311 -8.005 1.00 51.35 H new ATOM 0 HA ILE A 86 1.219 -15.571 -9.692 1.00 52.04 H new ATOM 0 HB ILE A 86 4.162 -15.162 -10.371 1.00 2.31 H new ATOM 0 HG12 ILE A 86 1.907 -13.203 -9.818 1.00 3.40 H new ATOM 0 HG13 ILE A 86 3.306 -13.492 -8.802 1.00 3.40 H new ATOM 0 HG21 ILE A 86 3.327 -14.136 -12.450 1.00 43.14 H new ATOM 0 HG22 ILE A 86 2.870 -15.852 -12.334 1.00 43.14 H new ATOM 0 HG23 ILE A 86 1.665 -14.586 -12.000 1.00 43.14 H new ATOM 0 HD11 ILE A 86 3.576 -11.437 -10.101 1.00 73.43 H new ATOM 0 HD12 ILE A 86 4.792 -12.644 -10.583 1.00 73.43 H new ATOM 0 HD13 ILE A 86 3.371 -12.351 -11.614 1.00 73.43 H new ATOM 1044 N SER A 87 3.469 -17.965 -9.969 1.00 31.13 N ATOM 1045 CA SER A 87 3.718 -19.290 -10.523 1.00 50.33 C ATOM 1046 C SER A 87 3.646 -20.357 -9.435 1.00 13.13 C ATOM 1047 O SER A 87 3.562 -21.550 -9.725 1.00 0.21 O ATOM 1048 CB SER A 87 5.086 -19.332 -11.205 1.00 42.34 C ATOM 1049 OG SER A 87 5.627 -18.029 -11.344 1.00 55.35 O ATOM 0 H SER A 87 4.177 -17.644 -9.308 1.00 31.13 H new ATOM 0 HA SER A 87 2.945 -19.498 -11.263 1.00 50.33 H new ATOM 0 HB2 SER A 87 5.767 -19.952 -10.622 1.00 42.34 H new ATOM 0 HB3 SER A 87 4.992 -19.797 -12.186 1.00 42.34 H new ATOM 0 HG SER A 87 6.356 -18.046 -11.999 1.00 55.35 H new ATOM 1055 N ASN A 88 3.680 -19.917 -8.181 1.00 24.41 N ATOM 1056 CA ASN A 88 3.621 -20.834 -7.049 1.00 11.35 C ATOM 1057 C ASN A 88 4.746 -21.862 -7.119 1.00 54.52 C ATOM 1058 O ASN A 88 4.536 -23.044 -6.852 1.00 52.14 O ATOM 1059 CB ASN A 88 2.266 -21.545 -7.011 1.00 43.24 C ATOM 1060 CG ASN A 88 1.910 -22.040 -5.624 1.00 24.53 C ATOM 1061 OD1 ASN A 88 2.789 -22.327 -4.811 1.00 5.32 O ATOM 1062 ND2 ASN A 88 0.616 -22.144 -5.347 1.00 3.33 N ATOM 0 H ASN A 88 3.748 -18.932 -7.924 1.00 24.41 H new ATOM 0 HA ASN A 88 3.744 -20.251 -6.136 1.00 11.35 H new ATOM 0 HB2 ASN A 88 1.491 -20.862 -7.360 1.00 43.24 H new ATOM 0 HB3 ASN A 88 2.282 -22.388 -7.701 1.00 43.24 H new ATOM 0 HD21 ASN A 88 0.316 -22.473 -4.429 1.00 3.33 H new ATOM 0 HD22 ASN A 88 -0.078 -21.895 -6.052 1.00 3.33 H new ATOM 1069 N GLN A 89 5.939 -21.401 -7.481 1.00 52.53 N ATOM 1070 CA GLN A 89 7.097 -22.280 -7.588 1.00 21.31 C ATOM 1071 C GLN A 89 8.226 -21.808 -6.678 1.00 41.43 C ATOM 1072 O GLN A 89 8.352 -20.615 -6.397 1.00 21.40 O ATOM 1073 CB GLN A 89 7.585 -22.343 -9.036 1.00 52.13 C ATOM 1074 CG GLN A 89 6.945 -23.459 -9.846 1.00 60.13 C ATOM 1075 CD GLN A 89 6.010 -22.938 -10.919 1.00 75.41 C ATOM 1076 OE1 GLN A 89 4.869 -23.389 -11.037 1.00 71.10 O ATOM 1077 NE2 GLN A 89 6.487 -21.985 -11.710 1.00 14.12 N ATOM 0 H GLN A 89 6.129 -20.424 -7.705 1.00 52.53 H new ATOM 0 HA GLN A 89 6.793 -23.278 -7.271 1.00 21.31 H new ATOM 0 HB2 GLN A 89 7.379 -21.389 -9.522 1.00 52.13 H new ATOM 0 HB3 GLN A 89 8.667 -22.476 -9.041 1.00 52.13 H new ATOM 0 HG2 GLN A 89 7.727 -24.060 -10.311 1.00 60.13 H new ATOM 0 HG3 GLN A 89 6.392 -24.118 -9.176 1.00 60.13 H new ATOM 0 HE21 GLN A 89 7.438 -21.640 -11.577 1.00 14.12 H new ATOM 0 HE22 GLN A 89 5.903 -21.597 -12.451 1.00 14.12 H new ATOM 1086 N LYS A 90 9.045 -22.748 -6.221 1.00 34.55 N ATOM 1087 CA LYS A 90 10.164 -22.429 -5.343 1.00 11.20 C ATOM 1088 C LYS A 90 10.926 -21.210 -5.855 1.00 70.11 C ATOM 1089 O LYS A 90 11.280 -20.317 -5.085 1.00 24.24 O ATOM 1090 CB LYS A 90 11.111 -23.626 -5.233 1.00 42.00 C ATOM 1091 CG LYS A 90 11.334 -24.097 -3.806 1.00 52.12 C ATOM 1092 CD LYS A 90 10.717 -25.465 -3.568 1.00 23.01 C ATOM 1093 CE LYS A 90 11.748 -26.573 -3.715 1.00 61.34 C ATOM 1094 NZ LYS A 90 12.055 -27.223 -2.412 1.00 33.25 N ATOM 0 H LYS A 90 8.955 -23.739 -6.445 1.00 34.55 H new ATOM 0 HA LYS A 90 9.764 -22.198 -4.356 1.00 11.20 H new ATOM 0 HB2 LYS A 90 10.709 -24.452 -5.820 1.00 42.00 H new ATOM 0 HB3 LYS A 90 12.072 -23.360 -5.673 1.00 42.00 H new ATOM 0 HG2 LYS A 90 12.403 -24.138 -3.598 1.00 52.12 H new ATOM 0 HG3 LYS A 90 10.902 -23.376 -3.112 1.00 52.12 H new ATOM 0 HD2 LYS A 90 10.282 -25.501 -2.569 1.00 23.01 H new ATOM 0 HD3 LYS A 90 9.904 -25.627 -4.275 1.00 23.01 H new ATOM 0 HE2 LYS A 90 11.379 -27.322 -4.416 1.00 61.34 H new ATOM 0 HE3 LYS A 90 12.664 -26.162 -4.140 1.00 61.34 H new ATOM 0 HZ1 LYS A 90 12.762 -27.972 -2.556 1.00 33.25 H new ATOM 0 HZ2 LYS A 90 12.432 -26.514 -1.751 1.00 33.25 H new ATOM 0 HZ3 LYS A 90 11.186 -27.637 -2.018 1.00 33.25 H new ATOM 1108 N THR A 91 11.173 -21.177 -7.160 1.00 63.44 N ATOM 1109 CA THR A 91 11.891 -20.069 -7.776 1.00 22.14 C ATOM 1110 C THR A 91 10.936 -18.956 -8.189 1.00 72.52 C ATOM 1111 O THR A 91 9.743 -19.005 -7.890 1.00 21.45 O ATOM 1112 CB THR A 91 12.688 -20.531 -9.010 1.00 72.25 C ATOM 1113 OG1 THR A 91 12.128 -21.743 -9.529 1.00 3.44 O ATOM 1114 CG2 THR A 91 14.151 -20.753 -8.658 1.00 65.13 C ATOM 0 H THR A 91 10.886 -21.907 -7.812 1.00 63.44 H new ATOM 0 HA THR A 91 12.585 -19.688 -7.027 1.00 22.14 H new ATOM 0 HB THR A 91 12.628 -19.749 -9.767 1.00 72.25 H new ATOM 0 HG1 THR A 91 11.178 -21.606 -9.726 1.00 3.44 H new ATOM 0 HG21 THR A 91 14.693 -21.079 -9.546 1.00 65.13 H new ATOM 0 HG22 THR A 91 14.582 -19.822 -8.291 1.00 65.13 H new ATOM 0 HG23 THR A 91 14.227 -21.518 -7.885 1.00 65.13 H new ATOM 1122 N VAL A 92 11.467 -17.953 -8.881 1.00 54.32 N ATOM 1123 CA VAL A 92 10.659 -16.828 -9.337 1.00 42.15 C ATOM 1124 C VAL A 92 10.601 -16.776 -10.861 1.00 4.15 C ATOM 1125 O VAL A 92 10.903 -15.758 -11.484 1.00 52.40 O ATOM 1126 CB VAL A 92 11.211 -15.490 -8.810 1.00 24.23 C ATOM 1127 CG1 VAL A 92 10.113 -14.439 -8.765 1.00 52.12 C ATOM 1128 CG2 VAL A 92 11.838 -15.677 -7.437 1.00 64.41 C ATOM 0 H VAL A 92 12.452 -17.896 -9.138 1.00 54.32 H new ATOM 0 HA VAL A 92 9.654 -16.979 -8.942 1.00 42.15 H new ATOM 0 HB VAL A 92 11.985 -15.142 -9.494 1.00 24.23 H new ATOM 0 HG11 VAL A 92 10.522 -13.501 -8.390 1.00 52.12 H new ATOM 0 HG12 VAL A 92 9.715 -14.286 -9.768 1.00 52.12 H new ATOM 0 HG13 VAL A 92 9.314 -14.776 -8.105 1.00 52.12 H new ATOM 0 HG21 VAL A 92 12.223 -14.722 -7.080 1.00 64.41 H new ATOM 0 HG22 VAL A 92 11.086 -16.048 -6.741 1.00 64.41 H new ATOM 0 HG23 VAL A 92 12.655 -16.395 -7.505 1.00 64.41 H new ATOM 1138 N PRO A 93 10.203 -17.899 -11.475 1.00 72.43 N ATOM 1139 CA PRO A 93 10.094 -18.007 -12.934 1.00 11.23 C ATOM 1140 C PRO A 93 8.944 -17.176 -13.493 1.00 22.13 C ATOM 1141 O PRO A 93 7.791 -17.352 -13.100 1.00 31.33 O ATOM 1142 CB PRO A 93 9.836 -19.499 -13.161 1.00 3.30 C ATOM 1143 CG PRO A 93 9.212 -19.972 -11.894 1.00 13.22 C ATOM 1144 CD PRO A 93 9.827 -19.150 -10.796 1.00 3.54 C ATOM 0 HA PRO A 93 10.985 -17.633 -13.438 1.00 11.23 H new ATOM 0 HB2 PRO A 93 9.175 -19.662 -14.013 1.00 3.30 H new ATOM 0 HB3 PRO A 93 10.763 -20.034 -13.370 1.00 3.30 H new ATOM 0 HG2 PRO A 93 8.130 -19.841 -11.920 1.00 13.22 H new ATOM 0 HG3 PRO A 93 9.401 -21.034 -11.739 1.00 13.22 H new ATOM 0 HD2 PRO A 93 9.121 -18.970 -9.985 1.00 3.54 H new ATOM 0 HD3 PRO A 93 10.694 -19.647 -10.360 1.00 3.54 H new ATOM 1152 N ASN A 94 9.265 -16.271 -14.411 1.00 21.45 N ATOM 1153 CA ASN A 94 8.257 -15.413 -15.023 1.00 63.23 C ATOM 1154 C ASN A 94 8.444 -15.350 -16.536 1.00 62.10 C ATOM 1155 O ASN A 94 9.456 -14.849 -17.027 1.00 31.23 O ATOM 1156 CB ASN A 94 8.328 -14.004 -14.430 1.00 33.32 C ATOM 1157 CG ASN A 94 7.112 -13.670 -13.588 1.00 3.13 C ATOM 1158 OD1 ASN A 94 6.591 -12.555 -13.645 1.00 22.45 O ATOM 1159 ND2 ASN A 94 6.654 -14.636 -12.801 1.00 52.05 N ATOM 0 H ASN A 94 10.215 -16.113 -14.748 1.00 21.45 H new ATOM 0 HA ASN A 94 7.276 -15.839 -14.813 1.00 63.23 H new ATOM 0 HB2 ASN A 94 9.226 -13.915 -13.818 1.00 33.32 H new ATOM 0 HB3 ASN A 94 8.419 -13.277 -15.237 1.00 33.32 H new ATOM 0 HD21 ASN A 94 5.839 -14.470 -12.211 1.00 52.05 H new ATOM 0 HD22 ASN A 94 7.117 -15.545 -12.786 1.00 52.05 H new ATOM 1166 N ILE A 95 7.460 -15.860 -17.270 1.00 4.00 N ATOM 1167 CA ILE A 95 7.515 -15.860 -18.726 1.00 52.13 C ATOM 1168 C ILE A 95 6.204 -15.363 -19.325 1.00 61.23 C ATOM 1169 O ILE A 95 5.216 -16.096 -19.377 1.00 34.44 O ATOM 1170 CB ILE A 95 7.820 -17.265 -19.279 1.00 33.15 C ATOM 1171 CG1 ILE A 95 7.273 -18.337 -18.335 1.00 21.24 C ATOM 1172 CG2 ILE A 95 9.317 -17.442 -19.479 1.00 4.12 C ATOM 1173 CD1 ILE A 95 8.227 -18.706 -17.220 1.00 43.32 C ATOM 0 H ILE A 95 6.616 -16.278 -16.880 1.00 4.00 H new ATOM 0 HA ILE A 95 8.321 -15.184 -19.011 1.00 52.13 H new ATOM 0 HB ILE A 95 7.329 -17.374 -20.246 1.00 33.15 H new ATOM 0 HG12 ILE A 95 6.338 -17.983 -17.900 1.00 21.24 H new ATOM 0 HG13 ILE A 95 7.038 -19.232 -18.912 1.00 21.24 H new ATOM 0 HG21 ILE A 95 9.516 -18.440 -19.870 1.00 4.12 H new ATOM 0 HG22 ILE A 95 9.680 -16.696 -20.186 1.00 4.12 H new ATOM 0 HG23 ILE A 95 9.829 -17.317 -18.525 1.00 4.12 H new ATOM 0 HD11 ILE A 95 7.772 -19.471 -16.591 1.00 43.32 H new ATOM 0 HD12 ILE A 95 9.154 -19.090 -17.646 1.00 43.32 H new ATOM 0 HD13 ILE A 95 8.443 -17.823 -16.619 1.00 43.32 H new ATOM 1185 N PHE A 96 6.202 -14.115 -19.781 1.00 63.05 N ATOM 1186 CA PHE A 96 5.013 -13.520 -20.379 1.00 31.51 C ATOM 1187 C PHE A 96 5.390 -12.582 -21.521 1.00 74.22 C ATOM 1188 O PHE A 96 6.012 -11.542 -21.306 1.00 73.05 O ATOM 1189 CB PHE A 96 4.211 -12.759 -19.321 1.00 64.12 C ATOM 1190 CG PHE A 96 3.944 -13.560 -18.080 1.00 21.35 C ATOM 1191 CD1 PHE A 96 4.917 -13.691 -17.101 1.00 73.43 C ATOM 1192 CD2 PHE A 96 2.720 -14.181 -17.890 1.00 22.44 C ATOM 1193 CE1 PHE A 96 4.674 -14.428 -15.958 1.00 34.44 C ATOM 1194 CE2 PHE A 96 2.471 -14.919 -16.749 1.00 22.44 C ATOM 1195 CZ PHE A 96 3.449 -15.043 -15.781 1.00 20.11 C ATOM 0 H PHE A 96 7.012 -13.495 -19.748 1.00 63.05 H new ATOM 0 HA PHE A 96 4.398 -14.324 -20.782 1.00 31.51 H new ATOM 0 HB2 PHE A 96 4.752 -11.853 -19.049 1.00 64.12 H new ATOM 0 HB3 PHE A 96 3.261 -12.446 -19.753 1.00 64.12 H new ATOM 0 HD1 PHE A 96 5.876 -13.212 -17.233 1.00 73.43 H new ATOM 0 HD2 PHE A 96 1.951 -14.087 -18.643 1.00 22.44 H new ATOM 0 HE1 PHE A 96 5.441 -14.523 -15.203 1.00 34.44 H new ATOM 0 HE2 PHE A 96 1.513 -15.399 -16.614 1.00 22.44 H new ATOM 0 HZ PHE A 96 3.257 -15.619 -14.888 1.00 20.11 H new ATOM 1205 N VAL A 97 5.008 -12.958 -22.738 1.00 54.43 N ATOM 1206 CA VAL A 97 5.304 -12.151 -23.916 1.00 35.24 C ATOM 1207 C VAL A 97 4.029 -11.575 -24.523 1.00 23.45 C ATOM 1208 O VAL A 97 2.993 -12.238 -24.558 1.00 34.03 O ATOM 1209 CB VAL A 97 6.044 -12.973 -24.987 1.00 42.23 C ATOM 1210 CG1 VAL A 97 5.129 -14.039 -25.570 1.00 22.30 C ATOM 1211 CG2 VAL A 97 6.579 -12.062 -26.083 1.00 11.04 C ATOM 0 H VAL A 97 4.493 -13.816 -22.934 1.00 54.43 H new ATOM 0 HA VAL A 97 5.947 -11.334 -23.587 1.00 35.24 H new ATOM 0 HB VAL A 97 6.890 -13.473 -24.515 1.00 42.23 H new ATOM 0 HG11 VAL A 97 5.670 -14.609 -26.325 1.00 22.30 H new ATOM 0 HG12 VAL A 97 4.799 -14.709 -24.776 1.00 22.30 H new ATOM 0 HG13 VAL A 97 4.261 -13.563 -26.027 1.00 22.30 H new ATOM 0 HG21 VAL A 97 7.099 -12.660 -26.831 1.00 11.04 H new ATOM 0 HG22 VAL A 97 5.750 -11.533 -26.553 1.00 11.04 H new ATOM 0 HG23 VAL A 97 7.271 -11.340 -25.650 1.00 11.04 H new ATOM 1221 N ASN A 98 4.114 -10.338 -25.001 1.00 74.42 N ATOM 1222 CA ASN A 98 2.966 -9.673 -25.608 1.00 24.23 C ATOM 1223 C ASN A 98 1.758 -9.717 -24.677 1.00 4.14 C ATOM 1224 O ASN A 98 0.627 -9.921 -25.118 1.00 42.12 O ATOM 1225 CB ASN A 98 2.618 -10.330 -26.945 1.00 13.34 C ATOM 1226 CG ASN A 98 2.054 -9.339 -27.945 1.00 1.14 C ATOM 1227 OD1 ASN A 98 1.922 -8.151 -27.653 1.00 3.44 O ATOM 1228 ND2 ASN A 98 1.716 -9.826 -29.134 1.00 24.15 N ATOM 0 H ASN A 98 4.965 -9.776 -24.980 1.00 74.42 H new ATOM 0 HA ASN A 98 3.231 -8.630 -25.782 1.00 24.23 H new ATOM 0 HB2 ASN A 98 3.511 -10.795 -27.362 1.00 13.34 H new ATOM 0 HB3 ASN A 98 1.893 -11.126 -26.778 1.00 13.34 H new ATOM 0 HD21 ASN A 98 1.330 -9.208 -29.847 1.00 24.15 H new ATOM 0 HD22 ASN A 98 1.843 -10.818 -29.333 1.00 24.15 H new ATOM 1235 N LYS A 99 2.005 -9.522 -23.385 1.00 61.32 N ATOM 1236 CA LYS A 99 0.939 -9.538 -22.391 1.00 52.51 C ATOM 1237 C LYS A 99 0.261 -10.903 -22.341 1.00 21.32 C ATOM 1238 O LYS A 99 -0.887 -11.022 -21.913 1.00 12.34 O ATOM 1239 CB LYS A 99 -0.095 -8.454 -22.706 1.00 20.10 C ATOM 1240 CG LYS A 99 0.508 -7.071 -22.882 1.00 15.34 C ATOM 1241 CD LYS A 99 0.829 -6.784 -24.339 1.00 15.34 C ATOM 1242 CE LYS A 99 0.811 -5.291 -24.630 1.00 10.01 C ATOM 1243 NZ LYS A 99 -0.128 -4.952 -25.735 1.00 71.44 N ATOM 0 H LYS A 99 2.935 -9.351 -23.003 1.00 61.32 H new ATOM 0 HA LYS A 99 1.382 -9.337 -21.416 1.00 52.51 H new ATOM 0 HB2 LYS A 99 -0.629 -8.727 -23.616 1.00 20.10 H new ATOM 0 HB3 LYS A 99 -0.831 -8.421 -21.902 1.00 20.10 H new ATOM 0 HG2 LYS A 99 -0.187 -6.320 -22.507 1.00 15.34 H new ATOM 0 HG3 LYS A 99 1.417 -6.991 -22.286 1.00 15.34 H new ATOM 0 HD2 LYS A 99 1.810 -7.192 -24.584 1.00 15.34 H new ATOM 0 HD3 LYS A 99 0.105 -7.289 -24.979 1.00 15.34 H new ATOM 0 HE2 LYS A 99 0.523 -4.749 -23.729 1.00 10.01 H new ATOM 0 HE3 LYS A 99 1.816 -4.960 -24.893 1.00 10.01 H new ATOM 0 HZ1 LYS A 99 -0.111 -3.926 -25.902 1.00 71.44 H new ATOM 0 HZ2 LYS A 99 0.162 -5.449 -26.601 1.00 71.44 H new ATOM 0 HZ3 LYS A 99 -1.091 -5.244 -25.474 1.00 71.44 H new ATOM 1257 N VAL A 100 0.979 -11.932 -22.778 1.00 43.44 N ATOM 1258 CA VAL A 100 0.448 -13.290 -22.780 1.00 42.43 C ATOM 1259 C VAL A 100 1.180 -14.168 -21.772 1.00 11.41 C ATOM 1260 O VAL A 100 2.307 -13.869 -21.375 1.00 10.32 O ATOM 1261 CB VAL A 100 0.555 -13.932 -24.176 1.00 50.21 C ATOM 1262 CG1 VAL A 100 1.779 -14.832 -24.257 1.00 60.24 C ATOM 1263 CG2 VAL A 100 -0.711 -14.709 -24.503 1.00 74.31 C ATOM 0 H VAL A 100 1.931 -11.851 -23.136 1.00 43.44 H new ATOM 0 HA VAL A 100 -0.603 -13.219 -22.500 1.00 42.43 H new ATOM 0 HB VAL A 100 0.668 -13.138 -24.915 1.00 50.21 H new ATOM 0 HG11 VAL A 100 1.838 -15.277 -25.250 1.00 60.24 H new ATOM 0 HG12 VAL A 100 2.677 -14.243 -24.069 1.00 60.24 H new ATOM 0 HG13 VAL A 100 1.700 -15.622 -23.510 1.00 60.24 H new ATOM 0 HG21 VAL A 100 -0.618 -15.156 -25.493 1.00 74.31 H new ATOM 0 HG22 VAL A 100 -0.857 -15.495 -23.762 1.00 74.31 H new ATOM 0 HG23 VAL A 100 -1.566 -14.034 -24.489 1.00 74.31 H new ATOM 1273 N HIS A 101 0.532 -15.252 -21.359 1.00 62.34 N ATOM 1274 CA HIS A 101 1.121 -16.176 -20.396 1.00 61.42 C ATOM 1275 C HIS A 101 1.754 -17.369 -21.106 1.00 24.21 C ATOM 1276 O HIS A 101 1.117 -18.025 -21.930 1.00 33.41 O ATOM 1277 CB HIS A 101 0.061 -16.660 -19.407 1.00 40.14 C ATOM 1278 CG HIS A 101 -1.188 -17.160 -20.064 1.00 63.42 C ATOM 1279 ND1 HIS A 101 -2.300 -16.371 -20.268 1.00 0.13 N ATOM 1280 CD2 HIS A 101 -1.496 -18.379 -20.567 1.00 43.02 C ATOM 1281 CE1 HIS A 101 -3.238 -17.083 -20.865 1.00 54.23 C ATOM 1282 NE2 HIS A 101 -2.776 -18.304 -21.059 1.00 13.05 N ATOM 0 H HIS A 101 -0.402 -15.513 -21.676 1.00 62.34 H new ATOM 0 HA HIS A 101 1.900 -15.645 -19.850 1.00 61.42 H new ATOM 0 HB2 HIS A 101 0.484 -17.457 -18.795 1.00 40.14 H new ATOM 0 HB3 HIS A 101 -0.195 -15.843 -18.733 1.00 40.14 H new ATOM 0 HD2 HIS A 101 -0.855 -19.248 -20.579 1.00 43.02 H new ATOM 0 HE1 HIS A 101 -4.218 -16.727 -21.147 1.00 54.23 H new ATOM 0 HE2 HIS A 101 -3.287 -19.068 -21.502 1.00 13.05 H new ATOM 1290 N VAL A 102 3.014 -17.644 -20.781 1.00 63.31 N ATOM 1291 CA VAL A 102 3.733 -18.759 -21.386 1.00 64.04 C ATOM 1292 C VAL A 102 3.774 -19.961 -20.449 1.00 30.21 C ATOM 1293 O VAL A 102 3.655 -21.105 -20.885 1.00 4.11 O ATOM 1294 CB VAL A 102 5.175 -18.362 -21.756 1.00 12.30 C ATOM 1295 CG1 VAL A 102 5.874 -19.502 -22.481 1.00 22.53 C ATOM 1296 CG2 VAL A 102 5.177 -17.099 -22.606 1.00 22.25 C ATOM 0 H VAL A 102 3.557 -17.110 -20.103 1.00 63.31 H new ATOM 0 HA VAL A 102 3.193 -19.028 -22.294 1.00 64.04 H new ATOM 0 HB VAL A 102 5.724 -18.157 -20.837 1.00 12.30 H new ATOM 0 HG11 VAL A 102 6.891 -19.203 -22.734 1.00 22.53 H new ATOM 0 HG12 VAL A 102 5.904 -20.380 -21.835 1.00 22.53 H new ATOM 0 HG13 VAL A 102 5.328 -19.742 -23.394 1.00 22.53 H new ATOM 0 HG21 VAL A 102 6.203 -16.832 -22.859 1.00 22.25 H new ATOM 0 HG22 VAL A 102 4.612 -17.276 -23.521 1.00 22.25 H new ATOM 0 HG23 VAL A 102 4.717 -16.284 -22.047 1.00 22.25 H new ATOM 1306 N GLY A 103 3.943 -19.692 -19.158 1.00 33.31 N ATOM 1307 CA GLY A 103 3.995 -20.762 -18.179 1.00 2.10 C ATOM 1308 C GLY A 103 5.289 -20.760 -17.388 1.00 33.42 C ATOM 1309 O GLY A 103 5.535 -19.856 -16.590 1.00 72.41 O ATOM 0 H GLY A 103 4.045 -18.753 -18.773 1.00 33.31 H new ATOM 0 HA2 GLY A 103 3.153 -20.665 -17.493 1.00 2.10 H new ATOM 0 HA3 GLY A 103 3.884 -21.720 -18.686 1.00 2.10 H new ATOM 1313 N GLY A 104 6.117 -21.778 -17.606 1.00 73.05 N ATOM 1314 CA GLY A 104 7.380 -21.872 -16.899 1.00 43.13 C ATOM 1315 C GLY A 104 7.789 -23.307 -16.631 1.00 10.42 C ATOM 1316 O GLY A 104 8.952 -23.671 -16.810 1.00 71.13 O ATOM 0 H GLY A 104 5.935 -22.539 -18.260 1.00 73.05 H new ATOM 0 HA2 GLY A 104 8.157 -21.379 -17.483 1.00 43.13 H new ATOM 0 HA3 GLY A 104 7.304 -21.336 -15.953 1.00 43.13 H new ATOM 1320 N CYS A 105 6.833 -24.121 -16.199 1.00 11.24 N ATOM 1321 CA CYS A 105 7.101 -25.524 -15.903 1.00 31.02 C ATOM 1322 C CYS A 105 7.319 -26.319 -17.186 1.00 31.11 C ATOM 1323 O CYS A 105 6.451 -27.081 -17.611 1.00 51.32 O ATOM 1324 CB CYS A 105 5.944 -26.128 -15.104 1.00 63.13 C ATOM 1325 SG CYS A 105 4.318 -25.869 -15.851 1.00 53.24 S ATOM 0 H CYS A 105 5.866 -23.834 -16.046 1.00 11.24 H new ATOM 0 HA CYS A 105 8.012 -25.576 -15.306 1.00 31.02 H new ATOM 0 HB2 CYS A 105 6.114 -27.199 -14.991 1.00 63.13 H new ATOM 0 HB3 CYS A 105 5.945 -25.698 -14.102 1.00 63.13 H new ATOM 0 HG CYS A 105 4.340 -26.267 -17.088 1.00 53.24 H new ATOM 1331 N ASP A 106 8.482 -26.134 -17.799 1.00 51.42 N ATOM 1332 CA ASP A 106 8.815 -26.833 -19.035 1.00 52.51 C ATOM 1333 C ASP A 106 7.965 -26.322 -20.194 1.00 52.11 C ATOM 1334 O ASP A 106 7.930 -26.927 -21.265 1.00 52.03 O ATOM 1335 CB ASP A 106 8.614 -28.339 -18.864 1.00 32.30 C ATOM 1336 CG ASP A 106 9.004 -28.822 -17.481 1.00 60.33 C ATOM 1337 OD1 ASP A 106 10.217 -28.963 -17.223 1.00 3.23 O ATOM 1338 OD2 ASP A 106 8.096 -29.058 -16.658 1.00 11.54 O ATOM 0 H ASP A 106 9.211 -25.506 -17.461 1.00 51.42 H new ATOM 0 HA ASP A 106 9.863 -26.638 -19.263 1.00 52.51 H new ATOM 0 HB2 ASP A 106 7.569 -28.587 -19.051 1.00 32.30 H new ATOM 0 HB3 ASP A 106 9.206 -28.869 -19.611 1.00 32.30 H new ATOM 1343 N ARG A 107 7.279 -25.205 -19.971 1.00 64.23 N ATOM 1344 CA ARG A 107 6.427 -24.615 -20.996 1.00 11.42 C ATOM 1345 C ARG A 107 7.246 -23.756 -21.956 1.00 13.22 C ATOM 1346 O ARG A 107 7.253 -23.990 -23.165 1.00 43.31 O ATOM 1347 CB ARG A 107 5.327 -23.769 -20.350 1.00 44.33 C ATOM 1348 CG ARG A 107 3.949 -24.005 -20.945 1.00 63.31 C ATOM 1349 CD ARG A 107 3.903 -23.616 -22.415 1.00 74.34 C ATOM 1350 NE ARG A 107 3.264 -24.644 -23.233 1.00 33.00 N ATOM 1351 CZ ARG A 107 1.948 -24.792 -23.331 1.00 31.02 C ATOM 1352 NH1 ARG A 107 1.135 -23.983 -22.666 1.00 22.11 N ATOM 1353 NH2 ARG A 107 1.442 -25.752 -24.096 1.00 13.45 N ATOM 0 H ARG A 107 7.297 -24.691 -19.090 1.00 64.23 H new ATOM 0 HA ARG A 107 5.968 -25.426 -21.562 1.00 11.42 H new ATOM 0 HB2 ARG A 107 5.294 -23.985 -19.282 1.00 44.33 H new ATOM 0 HB3 ARG A 107 5.583 -22.715 -20.454 1.00 44.33 H new ATOM 0 HG2 ARG A 107 3.680 -25.056 -20.837 1.00 63.31 H new ATOM 0 HG3 ARG A 107 3.209 -23.428 -20.391 1.00 63.31 H new ATOM 0 HD2 ARG A 107 3.361 -22.677 -22.525 1.00 74.34 H new ATOM 0 HD3 ARG A 107 4.917 -23.443 -22.776 1.00 74.34 H new ATOM 0 HE ARG A 107 3.861 -25.283 -23.758 1.00 33.00 H new ATOM 0 HH11 ARG A 107 1.520 -23.244 -22.077 1.00 22.11 H new ATOM 0 HH12 ARG A 107 0.125 -24.099 -22.743 1.00 22.11 H new ATOM 0 HH21 ARG A 107 2.064 -26.377 -24.609 1.00 13.45 H new ATOM 0 HH22 ARG A 107 0.431 -25.865 -24.171 1.00 13.45 H new ATOM 1367 N THR A 108 7.935 -22.759 -21.409 1.00 12.43 N ATOM 1368 CA THR A 108 8.756 -21.865 -22.215 1.00 12.31 C ATOM 1369 C THR A 108 9.969 -22.593 -22.782 1.00 5.00 C ATOM 1370 O THR A 108 10.567 -22.153 -23.765 1.00 13.30 O ATOM 1371 CB THR A 108 9.236 -20.651 -21.396 1.00 4.20 C ATOM 1372 OG1 THR A 108 8.119 -20.011 -20.768 1.00 24.33 O ATOM 1373 CG2 THR A 108 9.965 -19.654 -22.283 1.00 10.30 C ATOM 0 H THR A 108 7.940 -22.551 -20.410 1.00 12.43 H new ATOM 0 HA THR A 108 8.130 -21.515 -23.036 1.00 12.31 H new ATOM 0 HB THR A 108 9.927 -21.007 -20.632 1.00 4.20 H new ATOM 0 HG1 THR A 108 7.758 -20.595 -20.069 1.00 24.33 H new ATOM 0 HG21 THR A 108 10.294 -18.806 -21.683 1.00 10.30 H new ATOM 0 HG22 THR A 108 10.831 -20.136 -22.736 1.00 10.30 H new ATOM 0 HG23 THR A 108 9.293 -19.305 -23.067 1.00 10.30 H new ATOM 1381 N PHE A 109 10.329 -23.709 -22.157 1.00 72.12 N ATOM 1382 CA PHE A 109 11.472 -24.499 -22.600 1.00 22.01 C ATOM 1383 C PHE A 109 11.070 -25.460 -23.715 1.00 30.20 C ATOM 1384 O PHE A 109 11.592 -25.390 -24.827 1.00 11.52 O ATOM 1385 CB PHE A 109 12.064 -25.280 -21.426 1.00 73.23 C ATOM 1386 CG PHE A 109 13.522 -25.599 -21.592 1.00 5.13 C ATOM 1387 CD1 PHE A 109 13.924 -26.722 -22.296 1.00 20.41 C ATOM 1388 CD2 PHE A 109 14.492 -24.774 -21.044 1.00 0.10 C ATOM 1389 CE1 PHE A 109 15.266 -27.017 -22.450 1.00 74.44 C ATOM 1390 CE2 PHE A 109 15.835 -25.064 -21.196 1.00 3.45 C ATOM 1391 CZ PHE A 109 16.222 -26.186 -21.900 1.00 64.41 C ATOM 0 H PHE A 109 9.846 -24.087 -21.342 1.00 72.12 H new ATOM 0 HA PHE A 109 12.226 -23.815 -22.989 1.00 22.01 H new ATOM 0 HB2 PHE A 109 11.928 -24.703 -20.511 1.00 73.23 H new ATOM 0 HB3 PHE A 109 11.509 -26.210 -21.302 1.00 73.23 H new ATOM 0 HD1 PHE A 109 13.181 -27.375 -22.730 1.00 20.41 H new ATOM 0 HD2 PHE A 109 14.195 -23.895 -20.492 1.00 0.10 H new ATOM 0 HE1 PHE A 109 15.566 -27.897 -23.000 1.00 74.44 H new ATOM 0 HE2 PHE A 109 16.581 -24.413 -20.764 1.00 3.45 H new ATOM 0 HZ PHE A 109 17.271 -26.414 -22.021 1.00 64.41 H new ATOM 1401 N GLN A 110 10.139 -26.357 -23.407 1.00 31.31 N ATOM 1402 CA GLN A 110 9.667 -27.334 -24.382 1.00 41.45 C ATOM 1403 C GLN A 110 9.110 -26.641 -25.621 1.00 45.52 C ATOM 1404 O GLN A 110 9.485 -26.966 -26.748 1.00 33.41 O ATOM 1405 CB GLN A 110 8.596 -28.230 -23.761 1.00 12.15 C ATOM 1406 CG GLN A 110 8.148 -29.363 -24.669 1.00 75.31 C ATOM 1407 CD GLN A 110 9.313 -30.145 -25.244 1.00 32.41 C ATOM 1408 OE1 GLN A 110 9.456 -30.264 -26.462 1.00 14.30 O ATOM 1409 NE2 GLN A 110 10.153 -30.684 -24.370 1.00 22.53 N ATOM 0 H GLN A 110 9.697 -26.428 -22.491 1.00 31.31 H new ATOM 0 HA GLN A 110 10.516 -27.949 -24.682 1.00 41.45 H new ATOM 0 HB2 GLN A 110 8.980 -28.651 -22.832 1.00 12.15 H new ATOM 0 HB3 GLN A 110 7.731 -27.620 -23.501 1.00 12.15 H new ATOM 0 HG2 GLN A 110 7.503 -30.039 -24.108 1.00 75.31 H new ATOM 0 HG3 GLN A 110 7.551 -28.955 -25.485 1.00 75.31 H new ATOM 0 HE21 GLN A 110 9.997 -30.561 -23.370 1.00 22.53 H new ATOM 0 HE22 GLN A 110 10.955 -31.222 -24.698 1.00 22.53 H new ATOM 1418 N ALA A 111 8.214 -25.683 -25.406 1.00 4.14 N ATOM 1419 CA ALA A 111 7.607 -24.943 -26.505 1.00 11.12 C ATOM 1420 C ALA A 111 8.670 -24.402 -27.456 1.00 21.14 C ATOM 1421 O ALA A 111 8.430 -24.263 -28.655 1.00 51.22 O ATOM 1422 CB ALA A 111 6.752 -23.805 -25.966 1.00 74.30 C ATOM 0 H ALA A 111 7.892 -25.401 -24.480 1.00 4.14 H new ATOM 0 HA ALA A 111 6.971 -25.629 -27.064 1.00 11.12 H new ATOM 0 HB1 ALA A 111 6.305 -23.261 -26.798 1.00 74.30 H new ATOM 0 HB2 ALA A 111 5.964 -24.211 -25.332 1.00 74.30 H new ATOM 0 HB3 ALA A 111 7.375 -23.127 -25.382 1.00 74.30 H new ATOM 1428 N HIS A 112 9.844 -24.099 -26.912 1.00 44.01 N ATOM 1429 CA HIS A 112 10.944 -23.574 -27.714 1.00 4.33 C ATOM 1430 C HIS A 112 11.424 -24.611 -28.724 1.00 71.23 C ATOM 1431 O HIS A 112 11.411 -24.368 -29.930 1.00 62.32 O ATOM 1432 CB HIS A 112 12.104 -23.149 -26.812 1.00 34.22 C ATOM 1433 CG HIS A 112 13.172 -22.385 -27.530 1.00 11.42 C ATOM 1434 ND1 HIS A 112 13.862 -22.890 -28.611 1.00 3.03 N ATOM 1435 CD2 HIS A 112 13.667 -21.143 -27.316 1.00 25.44 C ATOM 1436 CE1 HIS A 112 14.737 -21.993 -29.031 1.00 60.10 C ATOM 1437 NE2 HIS A 112 14.639 -20.923 -28.262 1.00 72.41 N ATOM 0 H HIS A 112 10.058 -24.208 -25.921 1.00 44.01 H new ATOM 0 HA HIS A 112 10.579 -22.703 -28.259 1.00 4.33 H new ATOM 0 HB2 HIS A 112 11.715 -22.537 -25.998 1.00 34.22 H new ATOM 0 HB3 HIS A 112 12.546 -24.037 -26.360 1.00 34.22 H new ATOM 0 HD2 HIS A 112 13.356 -20.454 -26.545 1.00 25.44 H new ATOM 0 HE1 HIS A 112 15.417 -22.114 -29.862 1.00 60.10 H new ATOM 0 HE2 HIS A 112 15.194 -20.072 -28.355 1.00 72.41 H new ATOM 1445 N GLN A 113 11.847 -25.767 -28.222 1.00 62.53 N ATOM 1446 CA GLN A 113 12.333 -26.840 -29.083 1.00 33.52 C ATOM 1447 C GLN A 113 11.174 -27.544 -29.781 1.00 30.53 C ATOM 1448 O GLN A 113 11.374 -28.288 -30.741 1.00 3.35 O ATOM 1449 CB GLN A 113 13.141 -27.850 -28.266 1.00 22.52 C ATOM 1450 CG GLN A 113 14.464 -27.301 -27.756 1.00 32.12 C ATOM 1451 CD GLN A 113 15.282 -26.642 -28.849 1.00 31.13 C ATOM 1452 OE1 GLN A 113 15.717 -27.298 -29.795 1.00 52.24 O ATOM 1453 NE2 GLN A 113 15.496 -25.337 -28.724 1.00 63.13 N ATOM 0 H GLN A 113 11.863 -25.985 -27.226 1.00 62.53 H new ATOM 0 HA GLN A 113 12.978 -26.399 -29.843 1.00 33.52 H new ATOM 0 HB2 GLN A 113 12.542 -28.180 -27.417 1.00 22.52 H new ATOM 0 HB3 GLN A 113 13.335 -28.730 -28.880 1.00 22.52 H new ATOM 0 HG2 GLN A 113 14.272 -26.577 -26.965 1.00 32.12 H new ATOM 0 HG3 GLN A 113 15.043 -28.111 -27.313 1.00 32.12 H new ATOM 0 HE21 GLN A 113 15.116 -24.832 -27.923 1.00 63.13 H new ATOM 0 HE22 GLN A 113 16.040 -24.840 -29.429 1.00 63.13 H new ATOM 1462 N ASN A 114 9.961 -27.306 -29.292 1.00 24.11 N ATOM 1463 CA ASN A 114 8.770 -27.919 -29.868 1.00 45.52 C ATOM 1464 C ASN A 114 8.166 -27.024 -30.946 1.00 54.33 C ATOM 1465 O ASN A 114 7.378 -27.477 -31.775 1.00 21.30 O ATOM 1466 CB ASN A 114 7.733 -28.193 -28.778 1.00 13.25 C ATOM 1467 CG ASN A 114 6.362 -28.502 -29.348 1.00 2.34 C ATOM 1468 OD1 ASN A 114 6.234 -29.253 -30.315 1.00 3.32 O ATOM 1469 ND2 ASN A 114 5.328 -27.921 -28.749 1.00 43.12 N ATOM 0 H ASN A 114 9.777 -26.693 -28.498 1.00 24.11 H new ATOM 0 HA ASN A 114 9.063 -28.864 -30.326 1.00 45.52 H new ATOM 0 HB2 ASN A 114 8.066 -29.031 -28.166 1.00 13.25 H new ATOM 0 HB3 ASN A 114 7.663 -27.326 -28.121 1.00 13.25 H new ATOM 0 HD21 ASN A 114 4.381 -28.090 -29.088 1.00 43.12 H new ATOM 0 HD22 ASN A 114 5.481 -27.306 -27.950 1.00 43.12 H new ATOM 1476 N GLY A 115 8.543 -25.749 -30.929 1.00 12.54 N ATOM 1477 CA GLY A 115 8.029 -24.810 -31.909 1.00 62.23 C ATOM 1478 C GLY A 115 6.780 -24.097 -31.431 1.00 12.13 C ATOM 1479 O GLY A 115 6.298 -23.168 -32.081 1.00 1.10 O ATOM 0 H GLY A 115 9.195 -25.350 -30.254 1.00 12.54 H new ATOM 0 HA2 GLY A 115 8.798 -24.073 -32.139 1.00 62.23 H new ATOM 0 HA3 GLY A 115 7.808 -25.341 -32.835 1.00 62.23 H new ATOM 1483 N LEU A 116 6.252 -24.532 -30.293 1.00 24.15 N ATOM 1484 CA LEU A 116 5.050 -23.930 -29.728 1.00 15.04 C ATOM 1485 C LEU A 116 5.339 -22.529 -29.199 1.00 12.54 C ATOM 1486 O LEU A 116 4.427 -21.717 -29.028 1.00 24.23 O ATOM 1487 CB LEU A 116 4.495 -24.807 -28.603 1.00 44.12 C ATOM 1488 CG LEU A 116 3.166 -24.359 -27.995 1.00 40.12 C ATOM 1489 CD1 LEU A 116 3.398 -23.308 -26.920 1.00 41.13 C ATOM 1490 CD2 LEU A 116 2.239 -23.823 -29.076 1.00 35.13 C ATOM 0 H LEU A 116 6.637 -25.300 -29.743 1.00 24.15 H new ATOM 0 HA LEU A 116 4.306 -23.853 -30.521 1.00 15.04 H new ATOM 0 HB2 LEU A 116 4.373 -25.820 -28.986 1.00 44.12 H new ATOM 0 HB3 LEU A 116 5.238 -24.855 -27.807 1.00 44.12 H new ATOM 0 HG LEU A 116 2.690 -25.224 -27.532 1.00 40.12 H new ATOM 0 HD11 LEU A 116 2.441 -23.001 -26.499 1.00 41.13 H new ATOM 0 HD12 LEU A 116 4.024 -23.726 -26.132 1.00 41.13 H new ATOM 0 HD13 LEU A 116 3.896 -22.443 -27.358 1.00 41.13 H new ATOM 0 HD21 LEU A 116 1.298 -23.509 -28.625 1.00 35.13 H new ATOM 0 HD22 LEU A 116 2.708 -22.971 -29.568 1.00 35.13 H new ATOM 0 HD23 LEU A 116 2.046 -24.605 -29.811 1.00 35.13 H new ATOM 1502 N LEU A 117 6.612 -22.250 -28.943 1.00 13.05 N ATOM 1503 CA LEU A 117 7.023 -20.945 -28.435 1.00 14.20 C ATOM 1504 C LEU A 117 7.297 -19.977 -29.581 1.00 13.30 C ATOM 1505 O LEU A 117 6.775 -18.862 -29.601 1.00 24.35 O ATOM 1506 CB LEU A 117 8.270 -21.086 -27.561 1.00 1.03 C ATOM 1507 CG LEU A 117 8.432 -20.048 -26.450 1.00 74.20 C ATOM 1508 CD1 LEU A 117 7.363 -20.236 -25.385 1.00 75.10 C ATOM 1509 CD2 LEU A 117 9.821 -20.137 -25.834 1.00 61.33 C ATOM 0 H LEU A 117 7.378 -22.910 -29.079 1.00 13.05 H new ATOM 0 HA LEU A 117 6.208 -20.544 -27.832 1.00 14.20 H new ATOM 0 HB2 LEU A 117 8.261 -22.077 -27.107 1.00 1.03 H new ATOM 0 HB3 LEU A 117 9.148 -21.039 -28.205 1.00 1.03 H new ATOM 0 HG LEU A 117 8.313 -19.056 -26.886 1.00 74.20 H new ATOM 0 HD11 LEU A 117 7.494 -19.489 -24.602 1.00 75.10 H new ATOM 0 HD12 LEU A 117 6.377 -20.121 -25.835 1.00 75.10 H new ATOM 0 HD13 LEU A 117 7.451 -21.233 -24.953 1.00 75.10 H new ATOM 0 HD21 LEU A 117 9.918 -19.391 -25.045 1.00 61.33 H new ATOM 0 HD22 LEU A 117 9.969 -21.131 -25.413 1.00 61.33 H new ATOM 0 HD23 LEU A 117 10.572 -19.953 -26.602 1.00 61.33 H new ATOM 1521 N GLN A 118 8.115 -20.411 -30.533 1.00 61.31 N ATOM 1522 CA GLN A 118 8.456 -19.583 -31.684 1.00 52.10 C ATOM 1523 C GLN A 118 7.202 -19.160 -32.441 1.00 72.22 C ATOM 1524 O GLN A 118 7.120 -18.044 -32.954 1.00 13.43 O ATOM 1525 CB GLN A 118 9.401 -20.338 -32.620 1.00 52.22 C ATOM 1526 CG GLN A 118 8.702 -21.378 -33.481 1.00 5.32 C ATOM 1527 CD GLN A 118 8.147 -20.795 -34.765 1.00 4.01 C ATOM 1528 OE1 GLN A 118 8.524 -19.697 -35.176 1.00 71.13 O ATOM 1529 NE2 GLN A 118 7.246 -21.528 -35.408 1.00 32.43 N ATOM 0 H GLN A 118 8.554 -21.331 -30.531 1.00 61.31 H new ATOM 0 HA GLN A 118 8.957 -18.687 -31.319 1.00 52.10 H new ATOM 0 HB2 GLN A 118 9.906 -19.622 -33.268 1.00 52.22 H new ATOM 0 HB3 GLN A 118 10.172 -20.829 -32.026 1.00 52.22 H new ATOM 0 HG2 GLN A 118 9.404 -22.176 -33.723 1.00 5.32 H new ATOM 0 HG3 GLN A 118 7.890 -21.830 -32.911 1.00 5.32 H new ATOM 0 HE21 GLN A 118 6.962 -22.433 -35.032 1.00 32.43 H new ATOM 0 HE22 GLN A 118 6.838 -21.187 -36.278 1.00 32.43 H new ATOM 1538 N LYS A 119 6.225 -20.059 -32.508 1.00 63.23 N ATOM 1539 CA LYS A 119 4.974 -19.780 -33.202 1.00 1.01 C ATOM 1540 C LYS A 119 4.157 -18.734 -32.450 1.00 70.01 C ATOM 1541 O LYS A 119 3.325 -18.042 -33.038 1.00 74.00 O ATOM 1542 CB LYS A 119 4.157 -21.064 -33.360 1.00 72.43 C ATOM 1543 CG LYS A 119 3.812 -21.731 -32.040 1.00 22.43 C ATOM 1544 CD LYS A 119 2.498 -21.214 -31.481 1.00 10.14 C ATOM 1545 CE LYS A 119 1.365 -22.201 -31.715 1.00 72.12 C ATOM 1546 NZ LYS A 119 0.498 -21.789 -32.854 1.00 13.43 N ATOM 0 H LYS A 119 6.276 -20.988 -32.089 1.00 63.23 H new ATOM 0 HA LYS A 119 5.215 -19.387 -34.190 1.00 1.01 H new ATOM 0 HB2 LYS A 119 3.235 -20.835 -33.894 1.00 72.43 H new ATOM 0 HB3 LYS A 119 4.716 -21.767 -33.978 1.00 72.43 H new ATOM 0 HG2 LYS A 119 3.749 -22.810 -32.182 1.00 22.43 H new ATOM 0 HG3 LYS A 119 4.611 -21.551 -31.320 1.00 22.43 H new ATOM 0 HD2 LYS A 119 2.604 -21.028 -30.412 1.00 10.14 H new ATOM 0 HD3 LYS A 119 2.253 -20.260 -31.948 1.00 10.14 H new ATOM 0 HE2 LYS A 119 1.779 -23.190 -31.913 1.00 72.12 H new ATOM 0 HE3 LYS A 119 0.762 -22.283 -30.811 1.00 72.12 H new ATOM 0 HZ1 LYS A 119 -0.262 -22.487 -32.982 1.00 13.43 H new ATOM 0 HZ2 LYS A 119 0.082 -20.857 -32.654 1.00 13.43 H new ATOM 0 HZ3 LYS A 119 1.068 -21.735 -33.722 1.00 13.43 H new ATOM 1560 N LEU A 120 4.400 -18.623 -31.149 1.00 20.41 N ATOM 1561 CA LEU A 120 3.687 -17.660 -30.317 1.00 24.13 C ATOM 1562 C LEU A 120 4.310 -16.273 -30.435 1.00 13.11 C ATOM 1563 O LEU A 120 3.622 -15.295 -30.734 1.00 24.55 O ATOM 1564 CB LEU A 120 3.698 -18.113 -28.855 1.00 40.34 C ATOM 1565 CG LEU A 120 2.853 -17.282 -27.890 1.00 33.32 C ATOM 1566 CD1 LEU A 120 2.263 -18.165 -26.801 1.00 31.31 C ATOM 1567 CD2 LEU A 120 3.684 -16.164 -27.280 1.00 1.43 C ATOM 0 H LEU A 120 5.085 -19.188 -30.647 1.00 20.41 H new ATOM 0 HA LEU A 120 2.656 -17.607 -30.667 1.00 24.13 H new ATOM 0 HB2 LEU A 120 3.352 -19.146 -28.813 1.00 40.34 H new ATOM 0 HB3 LEU A 120 4.729 -18.107 -28.501 1.00 40.34 H new ATOM 0 HG LEU A 120 2.033 -16.833 -28.450 1.00 33.32 H new ATOM 0 HD11 LEU A 120 1.665 -17.556 -26.123 1.00 31.31 H new ATOM 0 HD12 LEU A 120 1.632 -18.930 -27.254 1.00 31.31 H new ATOM 0 HD13 LEU A 120 3.069 -18.643 -26.244 1.00 31.31 H new ATOM 0 HD21 LEU A 120 3.066 -15.583 -26.596 1.00 1.43 H new ATOM 0 HD22 LEU A 120 4.525 -16.592 -26.735 1.00 1.43 H new ATOM 0 HD23 LEU A 120 4.057 -15.515 -28.072 1.00 1.43 H new ATOM 1579 N LEU A 121 5.615 -16.193 -30.202 1.00 1.03 N ATOM 1580 CA LEU A 121 6.332 -14.926 -30.284 1.00 51.21 C ATOM 1581 C LEU A 121 6.259 -14.349 -31.695 1.00 61.30 C ATOM 1582 O LEU A 121 6.441 -13.149 -31.895 1.00 52.21 O ATOM 1583 CB LEU A 121 7.793 -15.115 -29.873 1.00 62.03 C ATOM 1584 CG LEU A 121 8.035 -15.982 -28.638 1.00 30.13 C ATOM 1585 CD1 LEU A 121 9.468 -15.831 -28.152 1.00 3.20 C ATOM 1586 CD2 LEU A 121 7.055 -15.621 -27.531 1.00 60.23 C ATOM 0 H LEU A 121 6.199 -16.992 -29.954 1.00 1.03 H new ATOM 0 HA LEU A 121 5.857 -14.224 -29.599 1.00 51.21 H new ATOM 0 HB2 LEU A 121 8.332 -15.555 -30.712 1.00 62.03 H new ATOM 0 HB3 LEU A 121 8.229 -14.132 -29.694 1.00 62.03 H new ATOM 0 HG LEU A 121 7.874 -17.024 -28.913 1.00 30.13 H new ATOM 0 HD11 LEU A 121 9.621 -16.456 -27.272 1.00 3.20 H new ATOM 0 HD12 LEU A 121 10.154 -16.140 -28.941 1.00 3.20 H new ATOM 0 HD13 LEU A 121 9.657 -14.789 -27.895 1.00 3.20 H new ATOM 0 HD21 LEU A 121 7.243 -16.249 -26.660 1.00 60.23 H new ATOM 0 HD22 LEU A 121 7.184 -14.574 -27.258 1.00 60.23 H new ATOM 0 HD23 LEU A 121 6.035 -15.782 -27.881 1.00 60.23 H new