USER MOD reduce.3.24.130724 H: found=0, std=0, add=685, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 685 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 82 SER OG : rot -175:sc= -0.855 USER MOD Set 1.2: A 87 HIS : no HE2:sc= -6.15! C(o=-7!,f=-6.7!) USER MOD Set 2.1: A 81 LYS NZ :NH3+ -169:sc= -0.2 (180deg=-0.458) USER MOD Set 2.2: A 86 TYR OH : rot 180:sc= -0.131 USER MOD Set 3.1: A 7 LYS NZ :NH3+ -167:sc= 0.128 (180deg=-1.16) USER MOD Set 3.2: A 51 ASN : amide:sc= -0.091 K(o=0.037,f=-3.9) USER MOD Set 4.1: A 40 SER OG : rot -141:sc= 0.71 USER MOD Set 4.2: A 45 SER OG : rot -55:sc= 1.44 USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 CYS SG : rot -131:sc= -2.81! USER MOD Single : A 9 SER OG : rot 150:sc= 1.3 USER MOD Single : A 10 HIS : no HD1:sc= -4.48! K(o=-4.5!,f=-1.6) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ 163:sc= -0.278 (180deg=-0.782) USER MOD Single : A 16 GLN : amide:sc= -0.518 X(o=-0.52,f=-0.034) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 23 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 25 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 34 LYS NZ :NH3+ -168:sc= -0.0307 (180deg=-0.206) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 165:sc= -0.0561 (180deg=-0.4) USER MOD Single : A 48 LYS NZ :NH3+ -157:sc= 0.134 (180deg=0.0219) USER MOD Single : A 49 ASN : amide:sc= -0.271 X(o=-0.27,f=-0.18) USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 60 MET CE :methyl 179:sc= -1.04 (180deg=-1.07) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 GLN : amide:sc= -0.0116 K(o=-0.012,f=0.5) USER MOD Single : A 77 SER OG : rot 110:sc= -0.289 USER MOD Single : A 90 LYS NZ :NH3+ 168:sc= -0.168 (180deg=-0.393) USER MOD ----------------------------------------------------------------- ATOM 47 N LYS A 5 -1.807 7.669 -7.107 1.00 61.42 N ATOM 48 CA LYS A 5 -3.056 8.405 -7.260 1.00 40.31 C ATOM 49 C LYS A 5 -4.085 7.950 -6.231 1.00 15.21 C ATOM 50 O LYS A 5 -3.966 6.868 -5.656 1.00 32.04 O ATOM 51 CB LYS A 5 -3.613 8.216 -8.674 1.00 32.35 C ATOM 52 CG LYS A 5 -3.189 6.910 -9.324 1.00 60.30 C ATOM 53 CD LYS A 5 -3.795 6.755 -10.709 1.00 41.50 C ATOM 54 CE LYS A 5 -2.726 6.491 -11.758 1.00 52.31 C ATOM 55 NZ LYS A 5 -3.295 6.460 -13.134 1.00 44.23 N ATOM 0 HA LYS A 5 -2.849 9.462 -7.096 1.00 40.31 H new ATOM 0 HB2 LYS A 5 -4.702 8.257 -8.635 1.00 32.35 H new ATOM 0 HB3 LYS A 5 -3.285 9.047 -9.299 1.00 32.35 H new ATOM 0 HG2 LYS A 5 -2.102 6.874 -9.395 1.00 60.30 H new ATOM 0 HG3 LYS A 5 -3.495 6.073 -8.696 1.00 60.30 H new ATOM 0 HD2 LYS A 5 -4.512 5.934 -10.704 1.00 41.50 H new ATOM 0 HD3 LYS A 5 -4.347 7.658 -10.969 1.00 41.50 H new ATOM 0 HE2 LYS A 5 -1.960 7.265 -11.699 1.00 52.31 H new ATOM 0 HE3 LYS A 5 -2.236 5.541 -11.546 1.00 52.31 H new ATOM 0 HZ1 LYS A 5 -2.535 6.278 -13.820 1.00 44.23 H new ATOM 0 HZ2 LYS A 5 -4.008 5.705 -13.198 1.00 44.23 H new ATOM 0 HZ3 LYS A 5 -3.740 7.376 -13.346 1.00 44.23 H new ATOM 69 N ILE A 6 -5.097 8.782 -6.006 1.00 72.40 N ATOM 70 CA ILE A 6 -6.148 8.463 -5.047 1.00 74.24 C ATOM 71 C ILE A 6 -7.469 9.114 -5.444 1.00 14.32 C ATOM 72 O ILE A 6 -7.488 10.164 -6.087 1.00 51.43 O ATOM 73 CB ILE A 6 -5.771 8.918 -3.625 1.00 72.33 C ATOM 74 CG1 ILE A 6 -5.506 10.425 -3.602 1.00 22.43 C ATOM 75 CG2 ILE A 6 -4.553 8.152 -3.131 1.00 12.25 C ATOM 76 CD1 ILE A 6 -5.815 11.072 -2.270 1.00 23.21 C ATOM 0 H ILE A 6 -5.211 9.681 -6.474 1.00 72.40 H new ATOM 0 HA ILE A 6 -6.263 7.379 -5.053 1.00 74.24 H new ATOM 0 HB ILE A 6 -6.606 8.705 -2.957 1.00 72.33 H new ATOM 0 HG12 ILE A 6 -4.460 10.606 -3.851 1.00 22.43 H new ATOM 0 HG13 ILE A 6 -6.105 10.903 -4.377 1.00 22.43 H new ATOM 0 HG21 ILE A 6 -4.298 8.484 -2.125 1.00 12.25 H new ATOM 0 HG22 ILE A 6 -4.776 7.085 -3.116 1.00 12.25 H new ATOM 0 HG23 ILE A 6 -3.711 8.337 -3.798 1.00 12.25 H new ATOM 0 HD11 ILE A 6 -5.604 12.140 -2.327 1.00 23.21 H new ATOM 0 HD12 ILE A 6 -6.867 10.922 -2.028 1.00 23.21 H new ATOM 0 HD13 ILE A 6 -5.197 10.621 -1.494 1.00 23.21 H new ATOM 88 N LYS A 7 -8.573 8.486 -5.054 1.00 4.43 N ATOM 89 CA LYS A 7 -9.900 9.005 -5.365 1.00 23.00 C ATOM 90 C LYS A 7 -10.217 10.232 -4.517 1.00 22.02 C ATOM 91 O LYS A 7 -9.800 10.325 -3.362 1.00 64.13 O ATOM 92 CB LYS A 7 -10.959 7.925 -5.134 1.00 2.40 C ATOM 93 CG LYS A 7 -11.709 7.528 -6.394 1.00 23.24 C ATOM 94 CD LYS A 7 -13.144 7.135 -6.089 1.00 51.43 C ATOM 95 CE LYS A 7 -14.130 8.149 -6.650 1.00 73.44 C ATOM 96 NZ LYS A 7 -14.353 7.955 -8.111 1.00 20.43 N ATOM 0 H LYS A 7 -8.575 7.616 -4.521 1.00 4.43 H new ATOM 0 HA LYS A 7 -9.911 9.298 -6.415 1.00 23.00 H new ATOM 0 HB2 LYS A 7 -10.479 7.041 -4.714 1.00 2.40 H new ATOM 0 HB3 LYS A 7 -11.674 8.282 -4.393 1.00 2.40 H new ATOM 0 HG2 LYS A 7 -11.701 8.358 -7.100 1.00 23.24 H new ATOM 0 HG3 LYS A 7 -11.197 6.695 -6.876 1.00 23.24 H new ATOM 0 HD2 LYS A 7 -13.351 6.152 -6.512 1.00 51.43 H new ATOM 0 HD3 LYS A 7 -13.279 7.053 -5.010 1.00 51.43 H new ATOM 0 HE2 LYS A 7 -15.080 8.062 -6.123 1.00 73.44 H new ATOM 0 HE3 LYS A 7 -13.756 9.157 -6.470 1.00 73.44 H new ATOM 0 HZ1 LYS A 7 -14.848 8.783 -8.500 1.00 20.43 H new ATOM 0 HZ2 LYS A 7 -13.437 7.843 -8.590 1.00 20.43 H new ATOM 0 HZ3 LYS A 7 -14.930 7.104 -8.264 1.00 20.43 H new ATOM 110 N CYS A 8 -10.956 11.170 -5.097 1.00 11.50 N ATOM 111 CA CYS A 8 -11.330 12.393 -4.393 1.00 31.31 C ATOM 112 C CYS A 8 -12.257 13.250 -5.247 1.00 73.04 C ATOM 113 O CYS A 8 -12.319 13.091 -6.466 1.00 73.42 O ATOM 114 CB CYS A 8 -10.080 13.191 -4.017 1.00 53.20 C ATOM 115 SG CYS A 8 -9.051 13.660 -5.428 1.00 52.20 S ATOM 0 H CYS A 8 -11.308 11.108 -6.052 1.00 11.50 H new ATOM 0 HA CYS A 8 -11.861 12.112 -3.483 1.00 31.31 H new ATOM 0 HB2 CYS A 8 -10.384 14.094 -3.487 1.00 53.20 H new ATOM 0 HB3 CYS A 8 -9.480 12.601 -3.324 1.00 53.20 H new ATOM 0 HG CYS A 8 -7.813 13.345 -5.186 1.00 52.20 H new ATOM 121 N SER A 9 -12.979 14.159 -4.599 1.00 61.34 N ATOM 122 CA SER A 9 -13.908 15.038 -5.299 1.00 13.34 C ATOM 123 C SER A 9 -13.545 16.502 -5.073 1.00 52.43 C ATOM 124 O SER A 9 -12.487 16.814 -4.528 1.00 4.55 O ATOM 125 CB SER A 9 -15.341 14.779 -4.829 1.00 71.44 C ATOM 126 OG SER A 9 -15.443 14.885 -3.420 1.00 23.41 O ATOM 0 H SER A 9 -12.938 14.306 -3.590 1.00 61.34 H new ATOM 0 HA SER A 9 -13.838 14.824 -6.365 1.00 13.34 H new ATOM 0 HB2 SER A 9 -16.016 15.493 -5.300 1.00 71.44 H new ATOM 0 HB3 SER A 9 -15.657 13.785 -5.146 1.00 71.44 H new ATOM 0 HG SER A 9 -16.340 15.199 -3.180 1.00 23.41 H new ATOM 132 N HIS A 10 -14.431 17.398 -5.498 1.00 75.04 N ATOM 133 CA HIS A 10 -14.205 18.831 -5.343 1.00 31.31 C ATOM 134 C HIS A 10 -15.491 19.614 -5.595 1.00 30.14 C ATOM 135 O HIS A 10 -16.326 19.211 -6.405 1.00 63.03 O ATOM 136 CB HIS A 10 -13.111 19.302 -6.300 1.00 44.50 C ATOM 137 CG HIS A 10 -13.461 19.123 -7.745 1.00 21.43 C ATOM 138 ND1 HIS A 10 -13.726 20.178 -8.592 1.00 24.31 N ATOM 139 CD2 HIS A 10 -13.586 18.001 -8.493 1.00 31.14 C ATOM 140 CE1 HIS A 10 -14.001 19.712 -9.798 1.00 53.40 C ATOM 141 NE2 HIS A 10 -13.922 18.394 -9.764 1.00 53.44 N ATOM 0 H HIS A 10 -15.312 17.157 -5.952 1.00 75.04 H new ATOM 0 HA HIS A 10 -13.884 19.015 -4.318 1.00 31.31 H new ATOM 0 HB2 HIS A 10 -12.905 20.356 -6.113 1.00 44.50 H new ATOM 0 HB3 HIS A 10 -12.193 18.755 -6.087 1.00 44.50 H new ATOM 0 HD2 HIS A 10 -13.447 16.986 -8.152 1.00 31.14 H new ATOM 0 HE1 HIS A 10 -14.248 20.308 -10.664 1.00 53.40 H new ATOM 0 HE2 HIS A 10 -14.084 17.770 -10.554 1.00 53.44 H new ATOM 149 N ILE A 11 -15.643 20.733 -4.895 1.00 5.45 N ATOM 150 CA ILE A 11 -16.825 21.572 -5.044 1.00 74.40 C ATOM 151 C ILE A 11 -16.478 23.047 -4.875 1.00 45.24 C ATOM 152 O ILE A 11 -15.947 23.457 -3.842 1.00 52.44 O ATOM 153 CB ILE A 11 -17.915 21.194 -4.023 1.00 72.45 C ATOM 154 CG1 ILE A 11 -18.437 19.783 -4.303 1.00 74.21 C ATOM 155 CG2 ILE A 11 -19.053 22.203 -4.065 1.00 70.22 C ATOM 156 CD1 ILE A 11 -19.396 19.274 -3.249 1.00 40.34 C ATOM 0 H ILE A 11 -14.962 21.079 -4.219 1.00 5.45 H new ATOM 0 HA ILE A 11 -17.206 21.404 -6.051 1.00 74.40 H new ATOM 0 HB ILE A 11 -17.479 21.209 -3.024 1.00 72.45 H new ATOM 0 HG12 ILE A 11 -18.936 19.775 -5.272 1.00 74.21 H new ATOM 0 HG13 ILE A 11 -17.591 19.099 -4.374 1.00 74.21 H new ATOM 0 HG21 ILE A 11 -19.815 21.922 -3.338 1.00 70.22 H new ATOM 0 HG22 ILE A 11 -18.669 23.194 -3.824 1.00 70.22 H new ATOM 0 HG23 ILE A 11 -19.491 22.216 -5.063 1.00 70.22 H new ATOM 0 HD11 ILE A 11 -19.726 18.269 -3.512 1.00 40.34 H new ATOM 0 HD12 ILE A 11 -18.894 19.250 -2.282 1.00 40.34 H new ATOM 0 HD13 ILE A 11 -20.260 19.936 -3.193 1.00 40.34 H new ATOM 168 N LEU A 12 -16.781 23.841 -5.897 1.00 70.02 N ATOM 169 CA LEU A 12 -16.502 25.272 -5.862 1.00 41.10 C ATOM 170 C LEU A 12 -17.764 26.064 -5.533 1.00 5.12 C ATOM 171 O LEU A 12 -18.824 25.834 -6.114 1.00 53.22 O ATOM 172 CB LEU A 12 -15.934 25.734 -7.205 1.00 64.01 C ATOM 173 CG LEU A 12 -14.409 25.729 -7.326 1.00 30.01 C ATOM 174 CD1 LEU A 12 -13.788 26.637 -6.275 1.00 21.21 C ATOM 175 CD2 LEU A 12 -13.868 24.313 -7.196 1.00 63.21 C ATOM 0 H LEU A 12 -17.220 23.518 -6.759 1.00 70.02 H new ATOM 0 HA LEU A 12 -15.765 25.454 -5.080 1.00 41.10 H new ATOM 0 HB2 LEU A 12 -16.343 25.096 -7.989 1.00 64.01 H new ATOM 0 HB3 LEU A 12 -16.291 26.746 -7.399 1.00 64.01 H new ATOM 0 HG LEU A 12 -14.140 26.110 -8.311 1.00 30.01 H new ATOM 0 HD11 LEU A 12 -12.703 26.621 -6.376 1.00 21.21 H new ATOM 0 HD12 LEU A 12 -14.151 27.655 -6.414 1.00 21.21 H new ATOM 0 HD13 LEU A 12 -14.065 26.286 -5.281 1.00 21.21 H new ATOM 0 HD21 LEU A 12 -12.782 24.329 -7.285 1.00 63.21 H new ATOM 0 HD22 LEU A 12 -14.147 23.905 -6.225 1.00 63.21 H new ATOM 0 HD23 LEU A 12 -14.287 23.689 -7.986 1.00 63.21 H new ATOM 187 N VAL A 13 -17.640 27.000 -4.596 1.00 41.33 N ATOM 188 CA VAL A 13 -18.769 27.829 -4.191 1.00 71.01 C ATOM 189 C VAL A 13 -18.386 29.305 -4.165 1.00 71.44 C ATOM 190 O VAL A 13 -17.274 29.674 -4.544 1.00 54.41 O ATOM 191 CB VAL A 13 -19.294 27.422 -2.802 1.00 50.40 C ATOM 192 CG1 VAL A 13 -19.745 25.970 -2.805 1.00 65.21 C ATOM 193 CG2 VAL A 13 -18.229 27.656 -1.740 1.00 73.34 C ATOM 0 H VAL A 13 -16.770 27.202 -4.104 1.00 41.33 H new ATOM 0 HA VAL A 13 -19.556 27.674 -4.929 1.00 71.01 H new ATOM 0 HB VAL A 13 -20.156 28.044 -2.563 1.00 50.40 H new ATOM 0 HG11 VAL A 13 -20.113 25.701 -1.815 1.00 65.21 H new ATOM 0 HG12 VAL A 13 -20.542 25.838 -3.536 1.00 65.21 H new ATOM 0 HG13 VAL A 13 -18.904 25.328 -3.066 1.00 65.21 H new ATOM 0 HG21 VAL A 13 -18.617 27.363 -0.765 1.00 73.34 H new ATOM 0 HG22 VAL A 13 -17.346 27.061 -1.973 1.00 73.34 H new ATOM 0 HG23 VAL A 13 -17.960 28.712 -1.721 1.00 73.34 H new ATOM 203 N SER A 14 -19.314 30.144 -3.716 1.00 41.10 N ATOM 204 CA SER A 14 -19.075 31.580 -3.643 1.00 45.14 C ATOM 205 C SER A 14 -19.019 32.050 -2.193 1.00 23.32 C ATOM 206 O SER A 14 -18.451 33.098 -1.888 1.00 25.12 O ATOM 207 CB SER A 14 -20.170 32.339 -4.394 1.00 53.44 C ATOM 208 OG SER A 14 -19.760 33.662 -4.696 1.00 62.34 O ATOM 0 H SER A 14 -20.238 29.854 -3.397 1.00 41.10 H new ATOM 0 HA SER A 14 -18.112 31.786 -4.111 1.00 45.14 H new ATOM 0 HB2 SER A 14 -20.415 31.812 -5.316 1.00 53.44 H new ATOM 0 HB3 SER A 14 -21.078 32.365 -3.791 1.00 53.44 H new ATOM 0 HG SER A 14 -20.477 34.125 -5.177 1.00 62.34 H new ATOM 214 N LYS A 15 -19.613 31.264 -1.300 1.00 52.43 N ATOM 215 CA LYS A 15 -19.631 31.596 0.119 1.00 14.15 C ATOM 216 C LYS A 15 -19.198 30.401 0.963 1.00 74.12 C ATOM 217 O LYS A 15 -19.363 29.251 0.555 1.00 41.51 O ATOM 218 CB LYS A 15 -21.030 32.051 0.540 1.00 34.33 C ATOM 219 CG LYS A 15 -22.116 31.029 0.246 1.00 54.23 C ATOM 220 CD LYS A 15 -23.463 31.696 0.023 1.00 30.45 C ATOM 221 CE LYS A 15 -24.072 32.173 1.333 1.00 22.44 C ATOM 222 NZ LYS A 15 -24.927 31.127 1.961 1.00 61.24 N ATOM 0 H LYS A 15 -20.088 30.393 -1.535 1.00 52.43 H new ATOM 0 HA LYS A 15 -18.926 32.410 0.285 1.00 14.15 H new ATOM 0 HB2 LYS A 15 -21.026 32.268 1.608 1.00 34.33 H new ATOM 0 HB3 LYS A 15 -21.270 32.982 0.026 1.00 34.33 H new ATOM 0 HG2 LYS A 15 -21.844 30.452 -0.638 1.00 54.23 H new ATOM 0 HG3 LYS A 15 -22.190 30.326 1.076 1.00 54.23 H new ATOM 0 HD2 LYS A 15 -23.344 32.542 -0.654 1.00 30.45 H new ATOM 0 HD3 LYS A 15 -24.142 30.994 -0.461 1.00 30.45 H new ATOM 0 HE2 LYS A 15 -23.276 32.454 2.023 1.00 22.44 H new ATOM 0 HE3 LYS A 15 -24.667 33.068 1.152 1.00 22.44 H new ATOM 0 HZ1 LYS A 15 -25.087 31.364 2.961 1.00 61.24 H new ATOM 0 HZ2 LYS A 15 -25.840 31.082 1.465 1.00 61.24 H new ATOM 0 HZ3 LYS A 15 -24.451 30.204 1.896 1.00 61.24 H new ATOM 236 N GLN A 16 -18.648 30.681 2.139 1.00 65.01 N ATOM 237 CA GLN A 16 -18.192 29.628 3.039 1.00 21.01 C ATOM 238 C GLN A 16 -19.369 28.811 3.560 1.00 73.10 C ATOM 239 O GLN A 16 -19.235 27.620 3.842 1.00 23.05 O ATOM 240 CB GLN A 16 -17.416 30.230 4.212 1.00 72.01 C ATOM 241 CG GLN A 16 -15.933 30.412 3.931 1.00 72.12 C ATOM 242 CD GLN A 16 -15.074 30.178 5.158 1.00 2.51 C ATOM 243 OE1 GLN A 16 -14.306 31.050 5.566 1.00 44.20 O ATOM 244 NE2 GLN A 16 -15.200 28.999 5.753 1.00 64.31 N ATOM 0 H GLN A 16 -18.507 31.628 2.491 1.00 65.01 H new ATOM 0 HA GLN A 16 -17.532 28.966 2.478 1.00 21.01 H new ATOM 0 HB2 GLN A 16 -17.850 31.197 4.466 1.00 72.01 H new ATOM 0 HB3 GLN A 16 -17.536 29.587 5.084 1.00 72.01 H new ATOM 0 HG2 GLN A 16 -15.629 29.723 3.143 1.00 72.12 H new ATOM 0 HG3 GLN A 16 -15.759 31.421 3.557 1.00 72.12 H new ATOM 0 HE21 GLN A 16 -15.849 28.306 5.380 1.00 64.31 H new ATOM 0 HE22 GLN A 16 -14.648 28.785 6.584 1.00 64.31 H new ATOM 253 N SER A 17 -20.524 29.457 3.684 1.00 50.31 N ATOM 254 CA SER A 17 -21.725 28.791 4.174 1.00 33.24 C ATOM 255 C SER A 17 -22.098 27.614 3.278 1.00 23.14 C ATOM 256 O SER A 17 -22.815 26.705 3.696 1.00 61.01 O ATOM 257 CB SER A 17 -22.890 29.780 4.246 1.00 4.41 C ATOM 258 OG SER A 17 -22.769 30.628 5.375 1.00 11.32 O ATOM 0 H SER A 17 -20.653 30.442 3.452 1.00 50.31 H new ATOM 0 HA SER A 17 -21.517 28.412 5.175 1.00 33.24 H new ATOM 0 HB2 SER A 17 -22.918 30.381 3.337 1.00 4.41 H new ATOM 0 HB3 SER A 17 -23.832 29.234 4.296 1.00 4.41 H new ATOM 0 HG SER A 17 -23.524 31.252 5.398 1.00 11.32 H new ATOM 264 N GLU A 18 -21.604 27.638 2.045 1.00 54.13 N ATOM 265 CA GLU A 18 -21.885 26.572 1.089 1.00 53.54 C ATOM 266 C GLU A 18 -20.756 25.548 1.069 1.00 62.40 C ATOM 267 O GLU A 18 -20.998 24.341 1.113 1.00 31.01 O ATOM 268 CB GLU A 18 -22.086 27.154 -0.312 1.00 44.21 C ATOM 269 CG GLU A 18 -23.278 28.091 -0.418 1.00 2.44 C ATOM 270 CD GLU A 18 -24.591 27.349 -0.572 1.00 3.23 C ATOM 271 OE1 GLU A 18 -24.946 26.575 0.342 1.00 62.33 O ATOM 272 OE2 GLU A 18 -25.264 27.544 -1.605 1.00 12.40 O ATOM 0 H GLU A 18 -21.008 28.383 1.684 1.00 54.13 H new ATOM 0 HA GLU A 18 -22.801 26.070 1.401 1.00 53.54 H new ATOM 0 HB2 GLU A 18 -21.185 27.692 -0.605 1.00 44.21 H new ATOM 0 HB3 GLU A 18 -22.214 26.336 -1.021 1.00 44.21 H new ATOM 0 HG2 GLU A 18 -23.322 28.719 0.472 1.00 2.44 H new ATOM 0 HG3 GLU A 18 -23.138 28.756 -1.271 1.00 2.44 H new ATOM 279 N ALA A 19 -19.522 26.036 1.001 1.00 30.25 N ATOM 280 CA ALA A 19 -18.355 25.163 0.976 1.00 21.44 C ATOM 281 C ALA A 19 -18.230 24.376 2.277 1.00 2.23 C ATOM 282 O ALA A 19 -18.099 23.151 2.265 1.00 51.52 O ATOM 283 CB ALA A 19 -17.093 25.975 0.726 1.00 53.52 C ATOM 0 H ALA A 19 -19.305 27.032 0.962 1.00 30.25 H new ATOM 0 HA ALA A 19 -18.483 24.451 0.161 1.00 21.44 H new ATOM 0 HB1 ALA A 19 -16.230 25.310 0.710 1.00 53.52 H new ATOM 0 HB2 ALA A 19 -17.174 26.488 -0.233 1.00 53.52 H new ATOM 0 HB3 ALA A 19 -16.970 26.710 1.521 1.00 53.52 H new ATOM 289 N LEU A 20 -18.271 25.087 3.398 1.00 2.44 N ATOM 290 CA LEU A 20 -18.161 24.456 4.710 1.00 74.34 C ATOM 291 C LEU A 20 -19.412 23.644 5.029 1.00 55.43 C ATOM 292 O LEU A 20 -19.437 22.876 5.990 1.00 73.04 O ATOM 293 CB LEU A 20 -17.936 25.515 5.791 1.00 74.24 C ATOM 294 CG LEU A 20 -17.148 25.061 7.020 1.00 73.24 C ATOM 295 CD1 LEU A 20 -16.335 26.214 7.588 1.00 0.24 C ATOM 296 CD2 LEU A 20 -18.087 24.496 8.076 1.00 24.05 C ATOM 0 H LEU A 20 -18.380 26.101 3.426 1.00 2.44 H new ATOM 0 HA LEU A 20 -17.306 23.780 4.690 1.00 74.34 H new ATOM 0 HB2 LEU A 20 -17.414 26.360 5.341 1.00 74.24 H new ATOM 0 HB3 LEU A 20 -18.908 25.880 6.122 1.00 74.24 H new ATOM 0 HG LEU A 20 -16.459 24.273 6.716 1.00 73.24 H new ATOM 0 HD11 LEU A 20 -15.781 25.872 8.462 1.00 0.24 H new ATOM 0 HD12 LEU A 20 -15.636 26.573 6.833 1.00 0.24 H new ATOM 0 HD13 LEU A 20 -17.005 27.024 7.877 1.00 0.24 H new ATOM 0 HD21 LEU A 20 -17.509 24.178 8.944 1.00 24.05 H new ATOM 0 HD22 LEU A 20 -18.800 25.263 8.377 1.00 24.05 H new ATOM 0 HD23 LEU A 20 -18.625 23.642 7.665 1.00 24.05 H new ATOM 308 N ALA A 21 -20.448 23.820 4.215 1.00 35.20 N ATOM 309 CA ALA A 21 -21.702 23.101 4.409 1.00 1.20 C ATOM 310 C ALA A 21 -21.584 21.656 3.936 1.00 55.31 C ATOM 311 O ALA A 21 -22.467 20.836 4.191 1.00 40.12 O ATOM 312 CB ALA A 21 -22.834 23.807 3.678 1.00 15.50 C ATOM 0 H ALA A 21 -20.444 24.454 3.416 1.00 35.20 H new ATOM 0 HA ALA A 21 -21.925 23.090 5.476 1.00 1.20 H new ATOM 0 HB1 ALA A 21 -23.764 23.259 3.832 1.00 15.50 H new ATOM 0 HB2 ALA A 21 -22.941 24.820 4.066 1.00 15.50 H new ATOM 0 HB3 ALA A 21 -22.609 23.848 2.612 1.00 15.50 H new ATOM 318 N ILE A 22 -20.491 21.352 3.245 1.00 20.30 N ATOM 319 CA ILE A 22 -20.260 20.006 2.737 1.00 22.41 C ATOM 320 C ILE A 22 -19.796 19.070 3.849 1.00 1.24 C ATOM 321 O ILE A 22 -19.897 17.849 3.730 1.00 51.32 O ATOM 322 CB ILE A 22 -19.211 20.002 1.609 1.00 60.31 C ATOM 323 CG1 ILE A 22 -19.618 20.978 0.503 1.00 31.20 C ATOM 324 CG2 ILE A 22 -19.040 18.598 1.048 1.00 35.21 C ATOM 325 CD1 ILE A 22 -20.963 20.665 -0.114 1.00 35.42 C ATOM 0 H ILE A 22 -19.752 22.019 3.024 1.00 20.30 H new ATOM 0 HA ILE A 22 -21.211 19.652 2.340 1.00 22.41 H new ATOM 0 HB ILE A 22 -18.255 20.325 2.021 1.00 60.31 H new ATOM 0 HG12 ILE A 22 -19.641 21.988 0.911 1.00 31.20 H new ATOM 0 HG13 ILE A 22 -18.858 20.967 -0.278 1.00 31.20 H new ATOM 0 HG21 ILE A 22 -18.295 18.612 0.252 1.00 35.21 H new ATOM 0 HG22 ILE A 22 -18.710 17.927 1.841 1.00 35.21 H new ATOM 0 HG23 ILE A 22 -19.992 18.247 0.648 1.00 35.21 H new ATOM 0 HD11 ILE A 22 -21.187 21.397 -0.890 1.00 35.42 H new ATOM 0 HD12 ILE A 22 -20.939 19.667 -0.553 1.00 35.42 H new ATOM 0 HD13 ILE A 22 -21.734 20.705 0.655 1.00 35.42 H new ATOM 337 N MET A 23 -19.288 19.652 4.931 1.00 75.33 N ATOM 338 CA MET A 23 -18.812 18.870 6.066 1.00 0.32 C ATOM 339 C MET A 23 -19.877 18.786 7.154 1.00 40.53 C ATOM 340 O MET A 23 -19.708 18.080 8.147 1.00 73.11 O ATOM 341 CB MET A 23 -17.532 19.486 6.635 1.00 1.53 C ATOM 342 CG MET A 23 -17.731 20.880 7.207 1.00 1.10 C ATOM 343 SD MET A 23 -16.757 21.166 8.698 1.00 63.24 S ATOM 344 CE MET A 23 -15.112 21.313 8.003 1.00 12.45 C ATOM 0 H MET A 23 -19.196 20.661 5.045 1.00 75.33 H new ATOM 0 HA MET A 23 -18.597 17.861 5.715 1.00 0.32 H new ATOM 0 HB2 MET A 23 -17.141 18.834 7.416 1.00 1.53 H new ATOM 0 HB3 MET A 23 -16.778 19.529 5.849 1.00 1.53 H new ATOM 0 HG2 MET A 23 -17.460 21.620 6.454 1.00 1.10 H new ATOM 0 HG3 MET A 23 -18.787 21.028 7.434 1.00 1.10 H new ATOM 0 HE1 MET A 23 -14.394 21.493 8.803 1.00 12.45 H new ATOM 0 HE2 MET A 23 -14.853 20.391 7.483 1.00 12.45 H new ATOM 0 HE3 MET A 23 -15.087 22.145 7.300 1.00 12.45 H new ATOM 354 N GLU A 24 -20.974 19.513 6.960 1.00 72.22 N ATOM 355 CA GLU A 24 -22.066 19.520 7.927 1.00 41.45 C ATOM 356 C GLU A 24 -23.327 18.902 7.328 1.00 44.23 C ATOM 357 O GLU A 24 -24.132 18.297 8.036 1.00 61.22 O ATOM 358 CB GLU A 24 -22.356 20.949 8.390 1.00 52.14 C ATOM 359 CG GLU A 24 -23.168 21.759 7.394 1.00 42.35 C ATOM 360 CD GLU A 24 -23.099 23.251 7.661 1.00 61.15 C ATOM 361 OE1 GLU A 24 -22.111 23.698 8.280 1.00 35.00 O ATOM 362 OE2 GLU A 24 -24.034 23.970 7.249 1.00 24.10 O ATOM 0 H GLU A 24 -21.130 20.104 6.143 1.00 72.22 H new ATOM 0 HA GLU A 24 -21.762 18.922 8.786 1.00 41.45 H new ATOM 0 HB2 GLU A 24 -22.892 20.913 9.339 1.00 52.14 H new ATOM 0 HB3 GLU A 24 -21.412 21.460 8.577 1.00 52.14 H new ATOM 0 HG2 GLU A 24 -22.806 21.557 6.386 1.00 42.35 H new ATOM 0 HG3 GLU A 24 -24.208 21.435 7.430 1.00 42.35 H new ATOM 369 N LYS A 25 -23.490 19.059 6.019 1.00 55.42 N ATOM 370 CA LYS A 25 -24.651 18.517 5.323 1.00 75.03 C ATOM 371 C LYS A 25 -24.683 16.995 5.421 1.00 71.35 C ATOM 372 O LYS A 25 -25.654 16.414 5.907 1.00 44.22 O ATOM 373 CB LYS A 25 -24.636 18.944 3.854 1.00 75.35 C ATOM 374 CG LYS A 25 -25.820 18.423 3.056 1.00 42.34 C ATOM 375 CD LYS A 25 -27.130 19.008 3.556 1.00 54.55 C ATOM 376 CE LYS A 25 -27.276 20.468 3.156 1.00 11.50 C ATOM 377 NZ LYS A 25 -27.901 20.616 1.812 1.00 31.11 N ATOM 0 H LYS A 25 -22.833 19.557 5.419 1.00 55.42 H new ATOM 0 HA LYS A 25 -25.547 18.913 5.801 1.00 75.03 H new ATOM 0 HB2 LYS A 25 -24.624 20.033 3.801 1.00 75.35 H new ATOM 0 HB3 LYS A 25 -23.714 18.592 3.392 1.00 75.35 H new ATOM 0 HG2 LYS A 25 -25.688 18.672 2.003 1.00 42.34 H new ATOM 0 HG3 LYS A 25 -25.856 17.336 3.125 1.00 42.34 H new ATOM 0 HD2 LYS A 25 -27.964 18.434 3.152 1.00 54.55 H new ATOM 0 HD3 LYS A 25 -27.178 18.920 4.641 1.00 54.55 H new ATOM 0 HE2 LYS A 25 -27.882 20.989 3.897 1.00 11.50 H new ATOM 0 HE3 LYS A 25 -26.295 20.944 3.155 1.00 11.50 H new ATOM 0 HZ1 LYS A 25 -27.983 21.626 1.576 1.00 31.11 H new ATOM 0 HZ2 LYS A 25 -27.310 20.141 1.100 1.00 31.11 H new ATOM 0 HZ3 LYS A 25 -28.847 20.185 1.820 1.00 31.11 H new ATOM 465 N LYS A 31 -25.411 13.115 0.551 1.00 24.10 N ATOM 466 CA LYS A 31 -24.350 12.664 -0.343 1.00 55.23 C ATOM 467 C LYS A 31 -23.533 13.844 -0.858 1.00 15.43 C ATOM 468 O LYS A 31 -24.070 14.925 -1.100 1.00 40.45 O ATOM 469 CB LYS A 31 -24.944 11.889 -1.521 1.00 23.11 C ATOM 470 CG LYS A 31 -23.991 10.866 -2.118 1.00 73.03 C ATOM 471 CD LYS A 31 -24.662 9.514 -2.290 1.00 61.22 C ATOM 472 CE LYS A 31 -24.377 8.597 -1.111 1.00 33.41 C ATOM 473 NZ LYS A 31 -23.017 7.994 -1.193 1.00 1.10 N ATOM 0 HA LYS A 31 -23.689 12.006 0.221 1.00 55.23 H new ATOM 0 HB2 LYS A 31 -25.850 11.380 -1.191 1.00 23.11 H new ATOM 0 HB3 LYS A 31 -25.240 12.595 -2.297 1.00 23.11 H new ATOM 0 HG2 LYS A 31 -23.633 11.221 -3.084 1.00 73.03 H new ATOM 0 HG3 LYS A 31 -23.118 10.761 -1.474 1.00 73.03 H new ATOM 0 HD2 LYS A 31 -25.738 9.651 -2.394 1.00 61.22 H new ATOM 0 HD3 LYS A 31 -24.310 9.046 -3.210 1.00 61.22 H new ATOM 0 HE2 LYS A 31 -24.469 9.160 -0.182 1.00 33.41 H new ATOM 0 HE3 LYS A 31 -25.124 7.804 -1.079 1.00 33.41 H new ATOM 0 HZ1 LYS A 31 -22.861 7.376 -0.371 1.00 1.10 H new ATOM 0 HZ2 LYS A 31 -22.937 7.436 -2.067 1.00 1.10 H new ATOM 0 HZ3 LYS A 31 -22.302 8.749 -1.198 1.00 1.10 H new ATOM 487 N PHE A 32 -22.232 13.631 -1.024 1.00 24.04 N ATOM 488 CA PHE A 32 -21.341 14.678 -1.510 1.00 60.11 C ATOM 489 C PHE A 32 -21.762 15.147 -2.899 1.00 13.51 C ATOM 490 O PHE A 32 -21.807 16.346 -3.173 1.00 53.52 O ATOM 491 CB PHE A 32 -19.897 14.172 -1.546 1.00 31.40 C ATOM 492 CG PHE A 32 -18.905 15.221 -1.959 1.00 22.42 C ATOM 493 CD1 PHE A 32 -18.732 15.544 -3.295 1.00 33.30 C ATOM 494 CD2 PHE A 32 -18.144 15.885 -1.009 1.00 52.51 C ATOM 495 CE1 PHE A 32 -17.819 16.508 -3.676 1.00 64.45 C ATOM 496 CE2 PHE A 32 -17.230 16.851 -1.386 1.00 32.13 C ATOM 497 CZ PHE A 32 -17.068 17.163 -2.721 1.00 20.13 C ATOM 0 H PHE A 32 -21.771 12.742 -0.829 1.00 24.04 H new ATOM 0 HA PHE A 32 -21.405 15.523 -0.825 1.00 60.11 H new ATOM 0 HB2 PHE A 32 -19.627 13.797 -0.559 1.00 31.40 H new ATOM 0 HB3 PHE A 32 -19.832 13.330 -2.236 1.00 31.40 H new ATOM 0 HD1 PHE A 32 -19.318 15.036 -4.047 1.00 33.30 H new ATOM 0 HD2 PHE A 32 -18.267 15.645 0.037 1.00 52.51 H new ATOM 0 HE1 PHE A 32 -17.693 16.749 -4.721 1.00 64.45 H new ATOM 0 HE2 PHE A 32 -16.643 17.361 -0.637 1.00 32.13 H new ATOM 0 HZ PHE A 32 -16.355 17.918 -3.018 1.00 20.13 H new ATOM 507 N GLY A 33 -22.070 14.193 -3.773 1.00 3.32 N ATOM 508 CA GLY A 33 -22.482 14.529 -5.123 1.00 31.23 C ATOM 509 C GLY A 33 -23.754 15.352 -5.153 1.00 1.21 C ATOM 510 O GLY A 33 -23.922 16.219 -6.010 1.00 43.43 O ATOM 0 H GLY A 33 -22.041 13.194 -3.570 1.00 3.32 H new ATOM 0 HA2 GLY A 33 -21.683 15.083 -5.616 1.00 31.23 H new ATOM 0 HA3 GLY A 33 -22.633 13.612 -5.692 1.00 31.23 H new ATOM 514 N LYS A 34 -24.655 15.080 -4.214 1.00 73.14 N ATOM 515 CA LYS A 34 -25.920 15.801 -4.136 1.00 2.52 C ATOM 516 C LYS A 34 -25.682 17.299 -3.966 1.00 54.15 C ATOM 517 O LYS A 34 -26.553 18.115 -4.274 1.00 60.42 O ATOM 518 CB LYS A 34 -26.761 15.272 -2.972 1.00 3.12 C ATOM 519 CG LYS A 34 -27.500 13.985 -3.291 1.00 63.33 C ATOM 520 CD LYS A 34 -28.467 13.607 -2.182 1.00 11.23 C ATOM 521 CE LYS A 34 -29.059 12.223 -2.405 1.00 43.44 C ATOM 522 NZ LYS A 34 -29.638 12.082 -3.770 1.00 62.42 N ATOM 0 H LYS A 34 -24.532 14.365 -3.497 1.00 73.14 H new ATOM 0 HA LYS A 34 -26.460 15.640 -5.069 1.00 2.52 H new ATOM 0 HB2 LYS A 34 -26.112 15.105 -2.112 1.00 3.12 H new ATOM 0 HB3 LYS A 34 -27.484 16.034 -2.682 1.00 3.12 H new ATOM 0 HG2 LYS A 34 -28.046 14.101 -4.227 1.00 63.33 H new ATOM 0 HG3 LYS A 34 -26.781 13.179 -3.439 1.00 63.33 H new ATOM 0 HD2 LYS A 34 -27.950 13.632 -1.223 1.00 11.23 H new ATOM 0 HD3 LYS A 34 -29.269 14.343 -2.131 1.00 11.23 H new ATOM 0 HE2 LYS A 34 -28.286 11.469 -2.259 1.00 43.44 H new ATOM 0 HE3 LYS A 34 -29.833 12.034 -1.661 1.00 43.44 H new ATOM 0 HZ1 LYS A 34 -30.206 11.212 -3.818 1.00 62.42 H new ATOM 0 HZ2 LYS A 34 -30.243 12.902 -3.977 1.00 62.42 H new ATOM 0 HZ3 LYS A 34 -28.870 12.033 -4.470 1.00 62.42 H new ATOM 536 N LEU A 35 -24.500 17.654 -3.476 1.00 54.22 N ATOM 537 CA LEU A 35 -24.148 19.055 -3.268 1.00 73.42 C ATOM 538 C LEU A 35 -23.188 19.541 -4.349 1.00 34.03 C ATOM 539 O LEU A 35 -23.104 20.738 -4.625 1.00 22.03 O ATOM 540 CB LEU A 35 -23.516 19.241 -1.887 1.00 34.00 C ATOM 541 CG LEU A 35 -24.119 18.408 -0.755 1.00 0.32 C ATOM 542 CD1 LEU A 35 -23.359 18.641 0.542 1.00 42.51 C ATOM 543 CD2 LEU A 35 -25.594 18.739 -0.577 1.00 62.42 C ATOM 0 H LEU A 35 -23.769 16.992 -3.215 1.00 54.22 H new ATOM 0 HA LEU A 35 -25.061 19.647 -3.326 1.00 73.42 H new ATOM 0 HB2 LEU A 35 -22.455 19.004 -1.960 1.00 34.00 H new ATOM 0 HB3 LEU A 35 -23.589 20.294 -1.615 1.00 34.00 H new ATOM 0 HG LEU A 35 -24.032 17.354 -1.019 1.00 0.32 H new ATOM 0 HD11 LEU A 35 -23.802 18.040 1.336 1.00 42.51 H new ATOM 0 HD12 LEU A 35 -22.316 18.354 0.409 1.00 42.51 H new ATOM 0 HD13 LEU A 35 -23.414 19.696 0.811 1.00 42.51 H new ATOM 0 HD21 LEU A 35 -26.007 18.137 0.233 1.00 62.42 H new ATOM 0 HD22 LEU A 35 -25.703 19.796 -0.335 1.00 62.42 H new ATOM 0 HD23 LEU A 35 -26.130 18.521 -1.501 1.00 62.42 H new ATOM 555 N ALA A 36 -22.469 18.605 -4.959 1.00 3.21 N ATOM 556 CA ALA A 36 -21.519 18.938 -6.013 1.00 5.51 C ATOM 557 C ALA A 36 -22.235 19.240 -7.324 1.00 32.34 C ATOM 558 O ALA A 36 -21.686 19.896 -8.208 1.00 62.03 O ATOM 559 CB ALA A 36 -20.521 17.805 -6.203 1.00 21.24 C ATOM 0 H ALA A 36 -22.526 17.610 -4.741 1.00 3.21 H new ATOM 0 HA ALA A 36 -20.980 19.835 -5.710 1.00 5.51 H new ATOM 0 HB1 ALA A 36 -19.818 18.068 -6.993 1.00 21.24 H new ATOM 0 HB2 ALA A 36 -19.977 17.640 -5.273 1.00 21.24 H new ATOM 0 HB3 ALA A 36 -21.053 16.894 -6.479 1.00 21.24 H new ATOM 565 N LYS A 37 -23.468 18.757 -7.443 1.00 63.43 N ATOM 566 CA LYS A 37 -24.262 18.974 -8.647 1.00 14.52 C ATOM 567 C LYS A 37 -25.070 20.264 -8.539 1.00 71.03 C ATOM 568 O LYS A 37 -25.936 20.534 -9.371 1.00 2.12 O ATOM 569 CB LYS A 37 -25.202 17.790 -8.883 1.00 25.10 C ATOM 570 CG LYS A 37 -26.198 17.570 -7.758 1.00 71.11 C ATOM 571 CD LYS A 37 -27.019 16.310 -7.979 1.00 1.23 C ATOM 572 CE LYS A 37 -27.855 16.404 -9.246 1.00 30.13 C ATOM 573 NZ LYS A 37 -28.890 15.334 -9.307 1.00 1.32 N ATOM 0 H LYS A 37 -23.939 18.213 -6.720 1.00 63.43 H new ATOM 0 HA LYS A 37 -23.579 19.062 -9.492 1.00 14.52 H new ATOM 0 HB2 LYS A 37 -25.747 17.950 -9.813 1.00 25.10 H new ATOM 0 HB3 LYS A 37 -24.608 16.885 -9.013 1.00 25.10 H new ATOM 0 HG2 LYS A 37 -25.666 17.497 -6.809 1.00 71.11 H new ATOM 0 HG3 LYS A 37 -26.863 18.431 -7.686 1.00 71.11 H new ATOM 0 HD2 LYS A 37 -26.355 15.448 -8.043 1.00 1.23 H new ATOM 0 HD3 LYS A 37 -27.672 16.145 -7.122 1.00 1.23 H new ATOM 0 HE2 LYS A 37 -28.338 17.380 -9.291 1.00 30.13 H new ATOM 0 HE3 LYS A 37 -27.204 16.330 -10.117 1.00 30.13 H new ATOM 0 HZ1 LYS A 37 -29.439 15.432 -10.185 1.00 1.32 H new ATOM 0 HZ2 LYS A 37 -28.428 14.403 -9.290 1.00 1.32 H new ATOM 0 HZ3 LYS A 37 -29.527 15.420 -8.489 1.00 1.32 H new ATOM 587 N GLU A 38 -24.778 21.055 -7.512 1.00 54.34 N ATOM 588 CA GLU A 38 -25.478 22.317 -7.298 1.00 74.14 C ATOM 589 C GLU A 38 -24.514 23.401 -6.826 1.00 11.20 C ATOM 590 O GLU A 38 -24.375 24.445 -7.464 1.00 44.34 O ATOM 591 CB GLU A 38 -26.600 22.136 -6.274 1.00 53.44 C ATOM 592 CG GLU A 38 -27.446 20.895 -6.510 1.00 63.34 C ATOM 593 CD GLU A 38 -28.903 21.104 -6.146 1.00 42.25 C ATOM 594 OE1 GLU A 38 -29.642 21.683 -6.969 1.00 43.35 O ATOM 595 OE2 GLU A 38 -29.303 20.688 -5.039 1.00 52.21 O ATOM 0 H GLU A 38 -24.063 20.845 -6.816 1.00 54.34 H new ATOM 0 HA GLU A 38 -25.910 22.629 -8.249 1.00 74.14 H new ATOM 0 HB2 GLU A 38 -26.165 22.084 -5.276 1.00 53.44 H new ATOM 0 HB3 GLU A 38 -27.245 23.014 -6.295 1.00 53.44 H new ATOM 0 HG2 GLU A 38 -27.375 20.606 -7.559 1.00 63.34 H new ATOM 0 HG3 GLU A 38 -27.044 20.069 -5.924 1.00 63.34 H new ATOM 602 N LEU A 39 -23.850 23.146 -5.704 1.00 74.11 N ATOM 603 CA LEU A 39 -22.899 24.099 -5.145 1.00 1.53 C ATOM 604 C LEU A 39 -21.733 24.331 -6.101 1.00 51.41 C ATOM 605 O LEU A 39 -21.382 25.472 -6.401 1.00 44.35 O ATOM 606 CB LEU A 39 -22.375 23.597 -3.797 1.00 61.45 C ATOM 607 CG LEU A 39 -23.419 23.424 -2.694 1.00 73.11 C ATOM 608 CD1 LEU A 39 -22.749 23.071 -1.376 1.00 22.03 C ATOM 609 CD2 LEU A 39 -24.255 24.687 -2.547 1.00 64.04 C ATOM 0 H LEU A 39 -23.953 22.287 -5.164 1.00 74.11 H new ATOM 0 HA LEU A 39 -23.418 25.046 -4.997 1.00 1.53 H new ATOM 0 HB2 LEU A 39 -21.881 22.638 -3.956 1.00 61.45 H new ATOM 0 HB3 LEU A 39 -21.614 24.293 -3.444 1.00 61.45 H new ATOM 0 HG LEU A 39 -24.081 22.604 -2.973 1.00 73.11 H new ATOM 0 HD11 LEU A 39 -23.508 22.952 -0.603 1.00 22.03 H new ATOM 0 HD12 LEU A 39 -22.195 22.139 -1.488 1.00 22.03 H new ATOM 0 HD13 LEU A 39 -22.063 23.869 -1.091 1.00 22.03 H new ATOM 0 HD21 LEU A 39 -24.993 24.545 -1.757 1.00 64.04 H new ATOM 0 HD22 LEU A 39 -23.606 25.525 -2.291 1.00 64.04 H new ATOM 0 HD23 LEU A 39 -24.765 24.897 -3.487 1.00 64.04 H new ATOM 621 N SER A 40 -21.141 23.242 -6.578 1.00 63.34 N ATOM 622 CA SER A 40 -20.014 23.326 -7.500 1.00 62.02 C ATOM 623 C SER A 40 -20.343 24.237 -8.678 1.00 71.33 C ATOM 624 O SER A 40 -21.069 23.846 -9.594 1.00 45.55 O ATOM 625 CB SER A 40 -19.637 21.933 -8.007 1.00 65.15 C ATOM 626 OG SER A 40 -18.230 21.789 -8.106 1.00 52.34 O ATOM 0 H SER A 40 -21.423 22.291 -6.342 1.00 63.34 H new ATOM 0 HA SER A 40 -19.167 23.750 -6.961 1.00 62.02 H new ATOM 0 HB2 SER A 40 -20.036 21.176 -7.332 1.00 65.15 H new ATOM 0 HB3 SER A 40 -20.093 21.762 -8.982 1.00 65.15 H new ATOM 0 HG SER A 40 -18.009 21.280 -8.914 1.00 52.34 H new ATOM 632 N ILE A 41 -19.806 25.452 -8.648 1.00 72.00 N ATOM 633 CA ILE A 41 -20.042 26.418 -9.713 1.00 62.40 C ATOM 634 C ILE A 41 -19.248 26.061 -10.965 1.00 51.44 C ATOM 635 O ILE A 41 -19.580 26.494 -12.069 1.00 11.12 O ATOM 636 CB ILE A 41 -19.669 27.845 -9.272 1.00 13.44 C ATOM 637 CG1 ILE A 41 -18.226 27.885 -8.764 1.00 51.12 C ATOM 638 CG2 ILE A 41 -20.628 28.335 -8.196 1.00 41.21 C ATOM 639 CD1 ILE A 41 -17.496 29.163 -9.117 1.00 74.41 C ATOM 0 H ILE A 41 -19.204 25.791 -7.897 1.00 72.00 H new ATOM 0 HA ILE A 41 -21.108 26.384 -9.939 1.00 62.40 H new ATOM 0 HB ILE A 41 -19.750 28.508 -10.133 1.00 13.44 H new ATOM 0 HG12 ILE A 41 -18.227 27.764 -7.681 1.00 51.12 H new ATOM 0 HG13 ILE A 41 -17.680 27.038 -9.179 1.00 51.12 H new ATOM 0 HG21 ILE A 41 -20.351 29.345 -7.895 1.00 41.21 H new ATOM 0 HG22 ILE A 41 -21.645 28.339 -8.589 1.00 41.21 H new ATOM 0 HG23 ILE A 41 -20.576 27.672 -7.333 1.00 41.21 H new ATOM 0 HD11 ILE A 41 -16.480 29.122 -8.725 1.00 74.41 H new ATOM 0 HD12 ILE A 41 -17.463 29.276 -10.201 1.00 74.41 H new ATOM 0 HD13 ILE A 41 -18.019 30.013 -8.680 1.00 74.41 H new ATOM 651 N ASP A 42 -18.197 25.267 -10.786 1.00 51.10 N ATOM 652 CA ASP A 42 -17.356 24.849 -11.901 1.00 54.43 C ATOM 653 C ASP A 42 -18.158 24.032 -12.910 1.00 5.24 C ATOM 654 O ASP A 42 -18.545 22.897 -12.635 1.00 62.41 O ATOM 655 CB ASP A 42 -16.168 24.031 -11.393 1.00 10.14 C ATOM 656 CG ASP A 42 -15.316 23.485 -12.521 1.00 52.33 C ATOM 657 OD1 ASP A 42 -15.400 24.026 -13.644 1.00 54.30 O ATOM 658 OD2 ASP A 42 -14.565 22.516 -12.283 1.00 21.11 O ATOM 0 H ASP A 42 -17.908 24.900 -9.879 1.00 51.10 H new ATOM 0 HA ASP A 42 -16.984 25.744 -12.399 1.00 54.43 H new ATOM 0 HB2 ASP A 42 -15.552 24.655 -10.745 1.00 10.14 H new ATOM 0 HB3 ASP A 42 -16.534 23.204 -10.785 1.00 10.14 H new ATOM 663 N SER A 43 -18.404 24.619 -14.077 1.00 65.00 N ATOM 664 CA SER A 43 -19.164 23.946 -15.124 1.00 45.43 C ATOM 665 C SER A 43 -18.594 22.559 -15.404 1.00 32.03 C ATOM 666 O SER A 43 -19.331 21.627 -15.724 1.00 64.11 O ATOM 667 CB SER A 43 -19.154 24.782 -16.406 1.00 1.31 C ATOM 668 OG SER A 43 -20.071 24.268 -17.357 1.00 45.45 O ATOM 0 H SER A 43 -18.089 25.558 -14.321 1.00 65.00 H new ATOM 0 HA SER A 43 -20.192 23.834 -14.778 1.00 45.43 H new ATOM 0 HB2 SER A 43 -19.409 25.816 -16.172 1.00 1.31 H new ATOM 0 HB3 SER A 43 -18.150 24.790 -16.831 1.00 1.31 H new ATOM 0 HG SER A 43 -20.047 24.820 -18.166 1.00 45.45 H new ATOM 674 N GLY A 44 -17.277 22.430 -15.280 1.00 11.54 N ATOM 675 CA GLY A 44 -16.630 21.154 -15.522 1.00 5.54 C ATOM 676 C GLY A 44 -16.493 20.325 -14.261 1.00 23.01 C ATOM 677 O GLY A 44 -15.426 19.778 -13.983 1.00 10.35 O ATOM 0 H GLY A 44 -16.646 23.187 -15.016 1.00 11.54 H new ATOM 0 HA2 GLY A 44 -17.203 20.594 -16.261 1.00 5.54 H new ATOM 0 HA3 GLY A 44 -15.642 21.326 -15.949 1.00 5.54 H new ATOM 681 N SER A 45 -17.575 20.233 -13.494 1.00 44.12 N ATOM 682 CA SER A 45 -17.569 19.468 -12.253 1.00 10.42 C ATOM 683 C SER A 45 -18.992 19.137 -11.813 1.00 25.14 C ATOM 684 O SER A 45 -19.281 18.010 -11.411 1.00 13.51 O ATOM 685 CB SER A 45 -16.852 20.251 -11.150 1.00 52.15 C ATOM 686 OG SER A 45 -17.702 21.235 -10.588 1.00 22.12 O ATOM 0 H SER A 45 -18.467 20.679 -13.710 1.00 44.12 H new ATOM 0 HA SER A 45 -17.035 18.535 -12.433 1.00 10.42 H new ATOM 0 HB2 SER A 45 -16.519 19.565 -10.371 1.00 52.15 H new ATOM 0 HB3 SER A 45 -15.960 20.727 -11.558 1.00 52.15 H new ATOM 0 HG SER A 45 -18.040 21.820 -11.298 1.00 22.12 H new ATOM 692 N ALA A 46 -19.875 20.127 -11.891 1.00 24.20 N ATOM 693 CA ALA A 46 -21.268 19.940 -11.503 1.00 24.00 C ATOM 694 C ALA A 46 -21.921 18.830 -12.319 1.00 1.21 C ATOM 695 O ALA A 46 -22.950 18.280 -11.927 1.00 62.04 O ATOM 696 CB ALA A 46 -22.039 21.241 -11.666 1.00 12.23 C ATOM 0 H ALA A 46 -19.651 21.066 -12.219 1.00 24.20 H new ATOM 0 HA ALA A 46 -21.291 19.645 -10.454 1.00 24.00 H new ATOM 0 HB1 ALA A 46 -23.078 21.088 -11.373 1.00 12.23 H new ATOM 0 HB2 ALA A 46 -21.593 22.010 -11.034 1.00 12.23 H new ATOM 0 HB3 ALA A 46 -21.999 21.559 -12.708 1.00 12.23 H new ATOM 702 N LYS A 47 -21.317 18.505 -13.458 1.00 12.24 N ATOM 703 CA LYS A 47 -21.840 17.460 -14.330 1.00 5.13 C ATOM 704 C LYS A 47 -21.369 16.083 -13.871 1.00 31.24 C ATOM 705 O LYS A 47 -21.985 15.066 -14.193 1.00 45.24 O ATOM 706 CB LYS A 47 -21.399 17.705 -15.774 1.00 45.15 C ATOM 707 CG LYS A 47 -22.243 18.738 -16.501 1.00 3.43 C ATOM 708 CD LYS A 47 -21.493 19.349 -17.673 1.00 23.30 C ATOM 709 CE LYS A 47 -22.328 20.403 -18.381 1.00 3.54 C ATOM 710 NZ LYS A 47 -22.777 21.473 -17.447 1.00 3.30 N ATOM 0 H LYS A 47 -20.465 18.951 -13.798 1.00 12.24 H new ATOM 0 HA LYS A 47 -22.928 17.489 -14.279 1.00 5.13 H new ATOM 0 HB2 LYS A 47 -20.359 18.031 -15.777 1.00 45.15 H new ATOM 0 HB3 LYS A 47 -21.440 16.764 -16.322 1.00 45.15 H new ATOM 0 HG2 LYS A 47 -23.161 18.272 -16.859 1.00 3.43 H new ATOM 0 HG3 LYS A 47 -22.535 19.525 -15.805 1.00 3.43 H new ATOM 0 HD2 LYS A 47 -20.565 19.797 -17.318 1.00 23.30 H new ATOM 0 HD3 LYS A 47 -21.219 18.565 -18.379 1.00 23.30 H new ATOM 0 HE2 LYS A 47 -21.745 20.846 -19.188 1.00 3.54 H new ATOM 0 HE3 LYS A 47 -23.198 19.931 -18.838 1.00 3.54 H new ATOM 0 HZ1 LYS A 47 -23.117 22.290 -17.993 1.00 3.30 H new ATOM 0 HZ2 LYS A 47 -23.547 21.111 -16.849 1.00 3.30 H new ATOM 0 HZ3 LYS A 47 -21.980 21.766 -16.846 1.00 3.30 H new ATOM 724 N LYS A 48 -20.276 16.058 -13.115 1.00 61.35 N ATOM 725 CA LYS A 48 -19.725 14.806 -12.610 1.00 33.11 C ATOM 726 C LYS A 48 -19.741 14.782 -11.085 1.00 1.11 C ATOM 727 O LYS A 48 -18.956 14.072 -10.458 1.00 12.14 O ATOM 728 CB LYS A 48 -18.294 14.613 -13.118 1.00 33.43 C ATOM 729 CG LYS A 48 -17.463 15.884 -13.093 1.00 71.15 C ATOM 730 CD LYS A 48 -17.581 16.653 -14.399 1.00 22.32 C ATOM 731 CE LYS A 48 -16.548 16.188 -15.414 1.00 22.10 C ATOM 732 NZ LYS A 48 -15.202 16.762 -15.139 1.00 41.33 N ATOM 0 H LYS A 48 -19.755 16.890 -12.839 1.00 61.35 H new ATOM 0 HA LYS A 48 -20.347 13.990 -12.976 1.00 33.11 H new ATOM 0 HB2 LYS A 48 -17.801 13.854 -12.510 1.00 33.43 H new ATOM 0 HB3 LYS A 48 -18.328 14.231 -14.138 1.00 33.43 H new ATOM 0 HG2 LYS A 48 -17.788 16.516 -12.267 1.00 71.15 H new ATOM 0 HG3 LYS A 48 -16.418 15.633 -12.910 1.00 71.15 H new ATOM 0 HD2 LYS A 48 -18.582 16.522 -14.811 1.00 22.32 H new ATOM 0 HD3 LYS A 48 -17.452 17.718 -14.208 1.00 22.32 H new ATOM 0 HE2 LYS A 48 -16.489 15.100 -15.399 1.00 22.10 H new ATOM 0 HE3 LYS A 48 -16.868 16.476 -16.415 1.00 22.10 H new ATOM 0 HZ1 LYS A 48 -14.638 16.760 -16.013 1.00 41.33 H new ATOM 0 HZ2 LYS A 48 -15.304 17.738 -14.796 1.00 41.33 H new ATOM 0 HZ3 LYS A 48 -14.722 16.189 -14.416 1.00 41.33 H new ATOM 746 N ASN A 49 -20.642 15.561 -10.494 1.00 70.02 N ATOM 747 CA ASN A 49 -20.760 15.627 -9.042 1.00 52.55 C ATOM 748 C ASN A 49 -19.411 15.933 -8.399 1.00 50.23 C ATOM 749 O ASN A 49 -19.119 15.475 -7.296 1.00 1.24 O ATOM 750 CB ASN A 49 -21.313 14.310 -8.494 1.00 4.44 C ATOM 751 CG ASN A 49 -22.738 14.051 -8.940 1.00 35.01 C ATOM 752 OD1 ASN A 49 -22.983 13.243 -9.836 1.00 60.21 O ATOM 753 ND2 ASN A 49 -23.688 14.737 -8.314 1.00 61.45 N ATOM 0 H ASN A 49 -21.300 16.155 -10.998 1.00 70.02 H new ATOM 0 HA ASN A 49 -21.450 16.434 -8.795 1.00 52.55 H new ATOM 0 HB2 ASN A 49 -20.677 13.488 -8.822 1.00 4.44 H new ATOM 0 HB3 ASN A 49 -21.274 14.328 -7.405 1.00 4.44 H new ATOM 0 HD21 ASN A 49 -24.666 14.604 -8.571 1.00 61.45 H new ATOM 0 HD22 ASN A 49 -23.439 15.397 -7.577 1.00 61.45 H new ATOM 760 N GLY A 50 -18.591 16.712 -9.099 1.00 72.33 N ATOM 761 CA GLY A 50 -17.283 17.066 -8.581 1.00 45.34 C ATOM 762 C GLY A 50 -16.408 15.852 -8.336 1.00 11.42 C ATOM 763 O GLY A 50 -15.416 15.930 -7.613 1.00 1.13 O ATOM 0 H GLY A 50 -18.810 17.104 -10.015 1.00 72.33 H new ATOM 0 HA2 GLY A 50 -16.785 17.733 -9.285 1.00 45.34 H new ATOM 0 HA3 GLY A 50 -17.402 17.618 -7.649 1.00 45.34 H new ATOM 767 N ASN A 51 -16.778 14.727 -8.939 1.00 34.04 N ATOM 768 CA ASN A 51 -16.021 13.490 -8.779 1.00 54.43 C ATOM 769 C ASN A 51 -14.960 13.359 -9.868 1.00 72.05 C ATOM 770 O ASN A 51 -15.225 12.830 -10.949 1.00 14.31 O ATOM 771 CB ASN A 51 -16.961 12.284 -8.819 1.00 40.12 C ATOM 772 CG ASN A 51 -16.548 11.197 -7.845 1.00 71.14 C ATOM 773 OD1 ASN A 51 -16.352 10.045 -8.231 1.00 54.14 O ATOM 774 ND2 ASN A 51 -16.413 11.561 -6.576 1.00 51.21 N ATOM 0 H ASN A 51 -17.596 14.646 -9.542 1.00 34.04 H new ATOM 0 HA ASN A 51 -15.522 13.520 -7.811 1.00 54.43 H new ATOM 0 HB2 ASN A 51 -17.975 12.609 -8.588 1.00 40.12 H new ATOM 0 HB3 ASN A 51 -16.980 11.875 -9.829 1.00 40.12 H new ATOM 0 HD21 ASN A 51 -16.136 10.874 -5.875 1.00 51.21 H new ATOM 0 HD22 ASN A 51 -16.586 12.528 -6.302 1.00 51.21 H new ATOM 781 N LEU A 52 -13.758 13.843 -9.577 1.00 14.52 N ATOM 782 CA LEU A 52 -12.655 13.780 -10.530 1.00 31.22 C ATOM 783 C LEU A 52 -11.978 12.413 -10.487 1.00 0.40 C ATOM 784 O LEU A 52 -11.004 12.171 -11.199 1.00 33.32 O ATOM 785 CB LEU A 52 -11.634 14.878 -10.232 1.00 24.14 C ATOM 786 CG LEU A 52 -11.059 14.894 -8.815 1.00 15.42 C ATOM 787 CD1 LEU A 52 -9.889 13.931 -8.702 1.00 21.42 C ATOM 788 CD2 LEU A 52 -10.633 16.303 -8.429 1.00 3.22 C ATOM 0 H LEU A 52 -13.522 14.284 -8.688 1.00 14.52 H new ATOM 0 HA LEU A 52 -13.061 13.933 -11.530 1.00 31.22 H new ATOM 0 HB2 LEU A 52 -10.808 14.779 -10.936 1.00 24.14 H new ATOM 0 HB3 LEU A 52 -12.102 15.843 -10.423 1.00 24.14 H new ATOM 0 HG LEU A 52 -11.837 14.569 -8.124 1.00 15.42 H new ATOM 0 HD11 LEU A 52 -9.493 13.957 -7.687 1.00 21.42 H new ATOM 0 HD12 LEU A 52 -10.225 12.921 -8.935 1.00 21.42 H new ATOM 0 HD13 LEU A 52 -9.108 14.224 -9.403 1.00 21.42 H new ATOM 0 HD21 LEU A 52 -10.226 16.296 -7.418 1.00 3.22 H new ATOM 0 HD22 LEU A 52 -9.871 16.656 -9.124 1.00 3.22 H new ATOM 0 HD23 LEU A 52 -11.496 16.968 -8.468 1.00 3.22 H new ATOM 800 N GLY A 53 -12.501 11.524 -9.649 1.00 53.45 N ATOM 801 CA GLY A 53 -11.935 10.193 -9.531 1.00 41.31 C ATOM 802 C GLY A 53 -10.516 10.211 -8.999 1.00 11.53 C ATOM 803 O GLY A 53 -10.222 10.897 -8.020 1.00 0.31 O ATOM 0 H GLY A 53 -13.307 11.702 -9.049 1.00 53.45 H new ATOM 0 HA2 GLY A 53 -12.560 9.593 -8.869 1.00 41.31 H new ATOM 0 HA3 GLY A 53 -11.947 9.708 -10.507 1.00 41.31 H new ATOM 807 N TYR A 54 -9.634 9.455 -9.642 1.00 73.35 N ATOM 808 CA TYR A 54 -8.240 9.383 -9.225 1.00 20.33 C ATOM 809 C TYR A 54 -7.430 10.524 -9.833 1.00 12.13 C ATOM 810 O TYR A 54 -7.607 10.874 -11.000 1.00 74.22 O ATOM 811 CB TYR A 54 -7.632 8.039 -9.629 1.00 52.15 C ATOM 812 CG TYR A 54 -7.629 7.015 -8.516 1.00 52.35 C ATOM 813 CD1 TYR A 54 -8.725 6.874 -7.674 1.00 2.12 C ATOM 814 CD2 TYR A 54 -6.532 6.189 -8.309 1.00 71.25 C ATOM 815 CE1 TYR A 54 -8.726 5.940 -6.655 1.00 42.43 C ATOM 816 CE2 TYR A 54 -6.525 5.252 -7.294 1.00 42.12 C ATOM 817 CZ TYR A 54 -7.624 5.132 -6.470 1.00 12.14 C ATOM 818 OH TYR A 54 -7.622 4.200 -5.457 1.00 22.41 O ATOM 0 H TYR A 54 -9.860 8.883 -10.455 1.00 73.35 H new ATOM 0 HA TYR A 54 -8.207 9.476 -8.139 1.00 20.33 H new ATOM 0 HB2 TYR A 54 -8.187 7.639 -10.477 1.00 52.15 H new ATOM 0 HB3 TYR A 54 -6.608 8.200 -9.966 1.00 52.15 H new ATOM 0 HD1 TYR A 54 -9.590 7.504 -7.818 1.00 2.12 H new ATOM 0 HD2 TYR A 54 -5.670 6.281 -8.953 1.00 71.25 H new ATOM 0 HE1 TYR A 54 -9.585 5.844 -6.007 1.00 42.43 H new ATOM 0 HE2 TYR A 54 -5.664 4.617 -7.147 1.00 42.12 H new ATOM 0 HH TYR A 54 -6.772 3.712 -5.463 1.00 22.41 H new ATOM 828 N PHE A 55 -6.540 11.100 -9.032 1.00 43.44 N ATOM 829 CA PHE A 55 -5.701 12.203 -9.491 1.00 12.33 C ATOM 830 C PHE A 55 -4.277 12.059 -8.962 1.00 71.01 C ATOM 831 O PHE A 55 -3.958 11.101 -8.256 1.00 2.52 O ATOM 832 CB PHE A 55 -6.291 13.541 -9.041 1.00 71.02 C ATOM 833 CG PHE A 55 -5.820 13.978 -7.684 1.00 4.13 C ATOM 834 CD1 PHE A 55 -5.912 13.126 -6.595 1.00 74.30 C ATOM 835 CD2 PHE A 55 -5.282 15.242 -7.496 1.00 51.20 C ATOM 836 CE1 PHE A 55 -5.480 13.526 -5.345 1.00 42.53 C ATOM 837 CE2 PHE A 55 -4.847 15.647 -6.249 1.00 14.33 C ATOM 838 CZ PHE A 55 -4.945 14.788 -5.172 1.00 20.24 C ATOM 0 H PHE A 55 -6.381 10.823 -8.063 1.00 43.44 H new ATOM 0 HA PHE A 55 -5.670 12.175 -10.580 1.00 12.33 H new ATOM 0 HB2 PHE A 55 -6.031 14.307 -9.771 1.00 71.02 H new ATOM 0 HB3 PHE A 55 -7.378 13.465 -9.032 1.00 71.02 H new ATOM 0 HD1 PHE A 55 -6.326 12.137 -6.725 1.00 74.30 H new ATOM 0 HD2 PHE A 55 -5.202 15.918 -8.334 1.00 51.20 H new ATOM 0 HE1 PHE A 55 -5.560 12.853 -4.504 1.00 42.53 H new ATOM 0 HE2 PHE A 55 -4.431 16.635 -6.116 1.00 14.33 H new ATOM 0 HZ PHE A 55 -4.604 15.102 -4.197 1.00 20.24 H new ATOM 848 N THR A 56 -3.424 13.018 -9.310 1.00 24.43 N ATOM 849 CA THR A 56 -2.033 12.998 -8.873 1.00 33.31 C ATOM 850 C THR A 56 -1.499 14.412 -8.677 1.00 22.35 C ATOM 851 O THR A 56 -2.194 15.392 -8.942 1.00 11.15 O ATOM 852 CB THR A 56 -1.137 12.258 -9.884 1.00 1.25 C ATOM 853 OG1 THR A 56 -1.025 13.022 -11.089 1.00 71.24 O ATOM 854 CG2 THR A 56 -1.700 10.882 -10.200 1.00 72.44 C ATOM 0 H THR A 56 -3.672 13.818 -9.893 1.00 24.43 H new ATOM 0 HA THR A 56 -2.008 12.468 -7.921 1.00 33.31 H new ATOM 0 HB THR A 56 -0.149 12.135 -9.439 1.00 1.25 H new ATOM 0 HG1 THR A 56 -0.452 12.546 -11.726 1.00 71.24 H new ATOM 0 HG21 THR A 56 -1.050 10.379 -10.916 1.00 72.44 H new ATOM 0 HG22 THR A 56 -1.756 10.293 -9.285 1.00 72.44 H new ATOM 0 HG23 THR A 56 -2.698 10.986 -10.626 1.00 72.44 H new ATOM 862 N LYS A 57 -0.258 14.511 -8.209 1.00 40.12 N ATOM 863 CA LYS A 57 0.372 15.805 -7.979 1.00 53.40 C ATOM 864 C LYS A 57 0.834 16.427 -9.293 1.00 3.22 C ATOM 865 O LYS A 57 1.801 15.970 -9.900 1.00 61.33 O ATOM 866 CB LYS A 57 1.561 15.655 -7.027 1.00 34.23 C ATOM 867 CG LYS A 57 1.256 14.810 -5.802 1.00 52.10 C ATOM 868 CD LYS A 57 2.051 15.274 -4.593 1.00 75.23 C ATOM 869 CE LYS A 57 3.548 15.153 -4.830 1.00 14.42 C ATOM 870 NZ LYS A 57 4.294 14.935 -3.560 1.00 40.22 N ATOM 0 H LYS A 57 0.331 13.709 -7.982 1.00 40.12 H new ATOM 0 HA LYS A 57 -0.367 16.465 -7.525 1.00 53.40 H new ATOM 0 HB2 LYS A 57 2.395 15.208 -7.568 1.00 34.23 H new ATOM 0 HB3 LYS A 57 1.884 16.645 -6.704 1.00 34.23 H new ATOM 0 HG2 LYS A 57 0.190 14.861 -5.579 1.00 52.10 H new ATOM 0 HG3 LYS A 57 1.488 13.766 -6.012 1.00 52.10 H new ATOM 0 HD2 LYS A 57 1.800 16.310 -4.367 1.00 75.23 H new ATOM 0 HD3 LYS A 57 1.770 14.681 -3.722 1.00 75.23 H new ATOM 0 HE2 LYS A 57 3.742 14.325 -5.512 1.00 14.42 H new ATOM 0 HE3 LYS A 57 3.913 16.058 -5.315 1.00 14.42 H new ATOM 0 HZ1 LYS A 57 5.311 14.858 -3.764 1.00 40.22 H new ATOM 0 HZ2 LYS A 57 4.129 15.737 -2.919 1.00 40.22 H new ATOM 0 HZ3 LYS A 57 3.963 14.058 -3.109 1.00 40.22 H new ATOM 884 N GLY A 58 0.138 17.473 -9.725 1.00 14.12 N ATOM 885 CA GLY A 58 0.494 18.142 -10.963 1.00 74.33 C ATOM 886 C GLY A 58 -0.669 18.223 -11.933 1.00 23.35 C ATOM 887 O GLY A 58 -0.504 18.649 -13.075 1.00 43.50 O ATOM 0 H GLY A 58 -0.667 17.870 -9.240 1.00 14.12 H new ATOM 0 HA2 GLY A 58 0.848 19.149 -10.740 1.00 74.33 H new ATOM 0 HA3 GLY A 58 1.321 17.611 -11.435 1.00 74.33 H new ATOM 891 N MET A 59 -1.847 17.811 -11.477 1.00 73.44 N ATOM 892 CA MET A 59 -3.042 17.839 -12.314 1.00 12.24 C ATOM 893 C MET A 59 -4.052 18.852 -11.785 1.00 44.53 C ATOM 894 O MET A 59 -5.144 18.997 -12.332 1.00 74.14 O ATOM 895 CB MET A 59 -3.680 16.450 -12.374 1.00 53.33 C ATOM 896 CG MET A 59 -2.760 15.382 -12.944 1.00 1.54 C ATOM 897 SD MET A 59 -2.840 15.284 -14.742 1.00 45.24 S ATOM 898 CE MET A 59 -4.060 13.992 -14.958 1.00 61.23 C ATOM 0 H MET A 59 -2.000 17.454 -10.534 1.00 73.44 H new ATOM 0 HA MET A 59 -2.745 18.139 -13.319 1.00 12.24 H new ATOM 0 HB2 MET A 59 -3.986 16.156 -11.370 1.00 53.33 H new ATOM 0 HB3 MET A 59 -4.584 16.500 -12.981 1.00 53.33 H new ATOM 0 HG2 MET A 59 -1.734 15.592 -12.641 1.00 1.54 H new ATOM 0 HG3 MET A 59 -3.026 14.414 -12.519 1.00 1.54 H new ATOM 0 HE1 MET A 59 -4.219 13.816 -16.022 1.00 61.23 H new ATOM 0 HE2 MET A 59 -3.706 13.075 -14.487 1.00 61.23 H new ATOM 0 HE3 MET A 59 -4.999 14.297 -14.497 1.00 61.23 H new ATOM 908 N MET A 60 -3.678 19.553 -10.720 1.00 10.12 N ATOM 909 CA MET A 60 -4.551 20.554 -10.119 1.00 52.32 C ATOM 910 C MET A 60 -3.776 21.825 -9.788 1.00 24.03 C ATOM 911 O MET A 60 -2.626 21.988 -10.200 1.00 74.23 O ATOM 912 CB MET A 60 -5.205 19.998 -8.852 1.00 74.24 C ATOM 913 CG MET A 60 -5.916 18.672 -9.068 1.00 25.24 C ATOM 914 SD MET A 60 -7.561 18.873 -9.776 1.00 71.42 S ATOM 915 CE MET A 60 -7.816 17.255 -10.504 1.00 45.44 C ATOM 0 H MET A 60 -2.776 19.446 -10.255 1.00 10.12 H new ATOM 0 HA MET A 60 -5.328 20.801 -10.842 1.00 52.32 H new ATOM 0 HB2 MET A 60 -4.442 19.871 -8.084 1.00 74.24 H new ATOM 0 HB3 MET A 60 -5.921 20.727 -8.472 1.00 74.24 H new ATOM 0 HG2 MET A 60 -5.315 18.045 -9.727 1.00 25.24 H new ATOM 0 HG3 MET A 60 -5.996 18.148 -8.116 1.00 25.24 H new ATOM 0 HE1 MET A 60 -8.802 17.216 -10.967 1.00 45.44 H new ATOM 0 HE2 MET A 60 -7.052 17.072 -11.260 1.00 45.44 H new ATOM 0 HE3 MET A 60 -7.749 16.492 -9.728 1.00 45.44 H new ATOM 925 N VAL A 61 -4.409 22.724 -9.042 1.00 34.23 N ATOM 926 CA VAL A 61 -3.778 23.980 -8.656 1.00 30.03 C ATOM 927 C VAL A 61 -3.159 23.879 -7.265 1.00 62.43 C ATOM 928 O VAL A 61 -3.473 22.968 -6.499 1.00 2.53 O ATOM 929 CB VAL A 61 -4.787 25.144 -8.673 1.00 50.31 C ATOM 930 CG1 VAL A 61 -5.482 25.228 -10.023 1.00 5.11 C ATOM 931 CG2 VAL A 61 -5.802 24.986 -7.550 1.00 64.14 C ATOM 0 H VAL A 61 -5.360 22.606 -8.692 1.00 34.23 H new ATOM 0 HA VAL A 61 -2.994 24.178 -9.387 1.00 30.03 H new ATOM 0 HB VAL A 61 -4.244 26.075 -8.512 1.00 50.31 H new ATOM 0 HG11 VAL A 61 -6.191 26.056 -10.016 1.00 5.11 H new ATOM 0 HG12 VAL A 61 -4.740 25.392 -10.805 1.00 5.11 H new ATOM 0 HG13 VAL A 61 -6.014 24.296 -10.217 1.00 5.11 H new ATOM 0 HG21 VAL A 61 -6.507 25.817 -7.577 1.00 64.14 H new ATOM 0 HG22 VAL A 61 -6.342 24.048 -7.677 1.00 64.14 H new ATOM 0 HG23 VAL A 61 -5.285 24.980 -6.590 1.00 64.14 H new ATOM 941 N LYS A 62 -2.278 24.821 -6.948 1.00 25.15 N ATOM 942 CA LYS A 62 -1.614 24.840 -5.649 1.00 10.35 C ATOM 943 C LYS A 62 -2.634 24.795 -4.515 1.00 70.44 C ATOM 944 O LYS A 62 -2.633 23.889 -3.683 1.00 22.35 O ATOM 945 CB LYS A 62 -0.745 26.092 -5.517 1.00 2.33 C ATOM 946 CG LYS A 62 -0.631 26.606 -4.091 1.00 62.12 C ATOM 947 CD LYS A 62 0.499 27.613 -3.950 1.00 53.04 C ATOM 948 CE LYS A 62 0.084 28.988 -4.450 1.00 42.10 C ATOM 949 NZ LYS A 62 1.193 29.976 -4.340 1.00 1.04 N ATOM 0 H LYS A 62 -2.007 25.581 -7.572 1.00 25.15 H new ATOM 0 HA LYS A 62 -0.981 23.956 -5.580 1.00 10.35 H new ATOM 0 HB2 LYS A 62 0.253 25.873 -5.896 1.00 2.33 H new ATOM 0 HB3 LYS A 62 -1.159 26.880 -6.146 1.00 2.33 H new ATOM 0 HG2 LYS A 62 -1.572 27.069 -3.794 1.00 62.12 H new ATOM 0 HG3 LYS A 62 -0.460 25.769 -3.414 1.00 62.12 H new ATOM 0 HD2 LYS A 62 0.800 27.680 -2.905 1.00 53.04 H new ATOM 0 HD3 LYS A 62 1.368 27.268 -4.510 1.00 53.04 H new ATOM 0 HE2 LYS A 62 -0.236 28.915 -5.489 1.00 42.10 H new ATOM 0 HE3 LYS A 62 -0.774 29.339 -3.876 1.00 42.10 H new ATOM 0 HZ1 LYS A 62 0.870 30.900 -4.691 1.00 1.04 H new ATOM 0 HZ2 LYS A 62 1.481 30.065 -3.345 1.00 1.04 H new ATOM 0 HZ3 LYS A 62 2.003 29.654 -4.908 1.00 1.04 H new ATOM 963 N PRO A 63 -3.528 25.794 -4.483 1.00 12.45 N ATOM 964 CA PRO A 63 -4.573 25.889 -3.458 1.00 25.41 C ATOM 965 C PRO A 63 -5.638 24.810 -3.615 1.00 4.15 C ATOM 966 O PRO A 63 -6.835 25.093 -3.556 1.00 71.42 O ATOM 967 CB PRO A 63 -5.176 27.275 -3.695 1.00 2.55 C ATOM 968 CG PRO A 63 -4.904 27.568 -5.130 1.00 3.35 C ATOM 969 CD PRO A 63 -3.589 26.908 -5.445 1.00 32.05 C ATOM 0 HA PRO A 63 -4.174 25.749 -2.454 1.00 25.41 H new ATOM 0 HB2 PRO A 63 -6.246 27.282 -3.486 1.00 2.55 H new ATOM 0 HB3 PRO A 63 -4.719 28.022 -3.045 1.00 2.55 H new ATOM 0 HG2 PRO A 63 -5.699 27.178 -5.766 1.00 3.35 H new ATOM 0 HG3 PRO A 63 -4.854 28.642 -5.306 1.00 3.35 H new ATOM 0 HD2 PRO A 63 -3.554 26.552 -6.475 1.00 32.05 H new ATOM 0 HD3 PRO A 63 -2.753 27.596 -5.317 1.00 32.05 H new ATOM 977 N PHE A 64 -5.195 23.573 -3.813 1.00 34.35 N ATOM 978 CA PHE A 64 -6.112 22.450 -3.977 1.00 52.14 C ATOM 979 C PHE A 64 -5.373 21.121 -3.849 1.00 54.34 C ATOM 980 O PHE A 64 -5.664 20.322 -2.960 1.00 73.43 O ATOM 981 CB PHE A 64 -6.809 22.530 -5.337 1.00 70.34 C ATOM 982 CG PHE A 64 -7.706 21.358 -5.621 1.00 51.22 C ATOM 983 CD1 PHE A 64 -7.188 20.184 -6.145 1.00 53.13 C ATOM 984 CD2 PHE A 64 -9.065 21.431 -5.363 1.00 53.13 C ATOM 985 CE1 PHE A 64 -8.011 19.105 -6.407 1.00 52.53 C ATOM 986 CE2 PHE A 64 -9.893 20.354 -5.623 1.00 52.50 C ATOM 987 CZ PHE A 64 -9.365 19.190 -6.145 1.00 65.22 C ATOM 0 H PHE A 64 -4.208 23.322 -3.864 1.00 34.35 H new ATOM 0 HA PHE A 64 -6.861 22.506 -3.187 1.00 52.14 H new ATOM 0 HB2 PHE A 64 -7.397 23.447 -5.382 1.00 70.34 H new ATOM 0 HB3 PHE A 64 -6.054 22.597 -6.120 1.00 70.34 H new ATOM 0 HD1 PHE A 64 -6.130 20.112 -6.351 1.00 53.13 H new ATOM 0 HD2 PHE A 64 -9.483 22.339 -4.954 1.00 53.13 H new ATOM 0 HE1 PHE A 64 -7.596 18.196 -6.816 1.00 52.53 H new ATOM 0 HE2 PHE A 64 -10.951 20.423 -5.418 1.00 52.50 H new ATOM 0 HZ PHE A 64 -10.009 18.347 -6.348 1.00 65.22 H new ATOM 997 N GLU A 65 -4.417 20.893 -4.744 1.00 72.14 N ATOM 998 CA GLU A 65 -3.638 19.661 -4.732 1.00 34.01 C ATOM 999 C GLU A 65 -3.053 19.401 -3.347 1.00 34.33 C ATOM 1000 O GLU A 65 -3.149 18.292 -2.819 1.00 0.43 O ATOM 1001 CB GLU A 65 -2.514 19.731 -5.767 1.00 12.24 C ATOM 1002 CG GLU A 65 -1.733 18.436 -5.907 1.00 62.30 C ATOM 1003 CD GLU A 65 -0.293 18.665 -6.322 1.00 61.51 C ATOM 1004 OE1 GLU A 65 -0.070 19.161 -7.446 1.00 70.22 O ATOM 1005 OE2 GLU A 65 0.613 18.347 -5.522 1.00 50.20 O ATOM 0 H GLU A 65 -4.164 21.545 -5.486 1.00 72.14 H new ATOM 0 HA GLU A 65 -4.305 18.838 -4.987 1.00 34.01 H new ATOM 0 HB2 GLU A 65 -2.939 19.995 -6.735 1.00 12.24 H new ATOM 0 HB3 GLU A 65 -1.827 20.531 -5.491 1.00 12.24 H new ATOM 0 HG2 GLU A 65 -1.753 17.900 -4.958 1.00 62.30 H new ATOM 0 HG3 GLU A 65 -2.222 17.799 -6.644 1.00 62.30 H new ATOM 1012 N ASP A 66 -2.448 20.430 -2.764 1.00 54.21 N ATOM 1013 CA ASP A 66 -1.848 20.314 -1.440 1.00 72.22 C ATOM 1014 C ASP A 66 -2.865 19.802 -0.425 1.00 0.43 C ATOM 1015 O ASP A 66 -2.527 19.032 0.473 1.00 51.02 O ATOM 1016 CB ASP A 66 -1.294 21.667 -0.988 1.00 21.52 C ATOM 1017 CG ASP A 66 -0.450 21.556 0.267 1.00 15.01 C ATOM 1018 OD1 ASP A 66 0.745 21.216 0.151 1.00 32.13 O ATOM 1019 OD2 ASP A 66 -0.987 21.812 1.365 1.00 20.54 O ATOM 0 H ASP A 66 -2.360 21.354 -3.187 1.00 54.21 H new ATOM 0 HA ASP A 66 -1.030 19.596 -1.500 1.00 72.22 H new ATOM 0 HB2 ASP A 66 -0.693 22.097 -1.790 1.00 21.52 H new ATOM 0 HB3 ASP A 66 -2.121 22.353 -0.807 1.00 21.52 H new ATOM 1024 N ALA A 67 -4.112 20.238 -0.574 1.00 72.33 N ATOM 1025 CA ALA A 67 -5.179 19.823 0.329 1.00 20.23 C ATOM 1026 C ALA A 67 -6.134 18.852 -0.358 1.00 43.21 C ATOM 1027 O ALA A 67 -7.339 18.874 -0.112 1.00 60.03 O ATOM 1028 CB ALA A 67 -5.937 21.037 0.842 1.00 14.45 C ATOM 0 H ALA A 67 -4.408 20.878 -1.311 1.00 72.33 H new ATOM 0 HA ALA A 67 -4.725 19.307 1.175 1.00 20.23 H new ATOM 0 HB1 ALA A 67 -6.731 20.713 1.515 1.00 14.45 H new ATOM 0 HB2 ALA A 67 -5.252 21.694 1.378 1.00 14.45 H new ATOM 0 HB3 ALA A 67 -6.372 21.576 0.001 1.00 14.45 H new ATOM 1034 N ALA A 68 -5.586 18.001 -1.221 1.00 3.54 N ATOM 1035 CA ALA A 68 -6.389 17.022 -1.943 1.00 3.55 C ATOM 1036 C ALA A 68 -6.051 15.603 -1.501 1.00 21.22 C ATOM 1037 O ALA A 68 -6.870 14.692 -1.623 1.00 1.41 O ATOM 1038 CB ALA A 68 -6.183 17.174 -3.442 1.00 71.40 C ATOM 0 H ALA A 68 -4.589 17.971 -1.436 1.00 3.54 H new ATOM 0 HA ALA A 68 -7.438 17.206 -1.711 1.00 3.55 H new ATOM 0 HB1 ALA A 68 -6.789 16.437 -3.969 1.00 71.40 H new ATOM 0 HB2 ALA A 68 -6.481 18.176 -3.750 1.00 71.40 H new ATOM 0 HB3 ALA A 68 -5.131 17.018 -3.682 1.00 71.40 H new ATOM 1044 N PHE A 69 -4.839 15.421 -0.986 1.00 40.22 N ATOM 1045 CA PHE A 69 -4.392 14.111 -0.528 1.00 34.42 C ATOM 1046 C PHE A 69 -4.002 14.155 0.947 1.00 44.04 C ATOM 1047 O PHE A 69 -3.596 13.146 1.525 1.00 43.13 O ATOM 1048 CB PHE A 69 -3.206 13.630 -1.367 1.00 12.03 C ATOM 1049 CG PHE A 69 -2.190 14.703 -1.638 1.00 0.32 C ATOM 1050 CD1 PHE A 69 -1.525 15.326 -0.594 1.00 54.42 C ATOM 1051 CD2 PHE A 69 -1.899 15.087 -2.936 1.00 51.34 C ATOM 1052 CE1 PHE A 69 -0.591 16.314 -0.841 1.00 61.51 C ATOM 1053 CE2 PHE A 69 -0.965 16.074 -3.190 1.00 0.45 C ATOM 1054 CZ PHE A 69 -0.309 16.688 -2.140 1.00 73.43 C ATOM 0 H PHE A 69 -4.149 16.164 -0.876 1.00 40.22 H new ATOM 0 HA PHE A 69 -5.219 13.411 -0.647 1.00 34.42 H new ATOM 0 HB2 PHE A 69 -2.719 12.801 -0.853 1.00 12.03 H new ATOM 0 HB3 PHE A 69 -3.576 13.243 -2.316 1.00 12.03 H new ATOM 0 HD1 PHE A 69 -1.739 15.036 0.424 1.00 54.42 H new ATOM 0 HD2 PHE A 69 -2.408 14.610 -3.760 1.00 51.34 H new ATOM 0 HE1 PHE A 69 -0.082 16.794 -0.018 1.00 61.51 H new ATOM 0 HE2 PHE A 69 -0.748 16.365 -4.207 1.00 0.45 H new ATOM 0 HZ PHE A 69 0.422 17.458 -2.335 1.00 73.43 H new ATOM 1064 N LYS A 70 -4.126 15.332 1.551 1.00 31.11 N ATOM 1065 CA LYS A 70 -3.788 15.510 2.958 1.00 44.14 C ATOM 1066 C LYS A 70 -4.892 14.963 3.857 1.00 71.44 C ATOM 1067 O LYS A 70 -4.709 14.823 5.066 1.00 21.44 O ATOM 1068 CB LYS A 70 -3.554 16.992 3.263 1.00 21.45 C ATOM 1069 CG LYS A 70 -4.833 17.805 3.343 1.00 14.11 C ATOM 1070 CD LYS A 70 -4.556 19.241 3.754 1.00 52.30 C ATOM 1071 CE LYS A 70 -5.845 20.030 3.933 1.00 61.53 C ATOM 1072 NZ LYS A 70 -6.347 19.961 5.332 1.00 21.14 N ATOM 0 H LYS A 70 -4.458 16.178 1.087 1.00 31.11 H new ATOM 0 HA LYS A 70 -2.872 14.954 3.159 1.00 44.14 H new ATOM 0 HB2 LYS A 70 -3.018 17.080 4.208 1.00 21.45 H new ATOM 0 HB3 LYS A 70 -2.911 17.416 2.491 1.00 21.45 H new ATOM 0 HG2 LYS A 70 -5.334 17.793 2.375 1.00 14.11 H new ATOM 0 HG3 LYS A 70 -5.513 17.345 4.060 1.00 14.11 H new ATOM 0 HD2 LYS A 70 -3.990 19.251 4.686 1.00 52.30 H new ATOM 0 HD3 LYS A 70 -3.935 19.723 2.999 1.00 52.30 H new ATOM 0 HE2 LYS A 70 -5.675 21.071 3.659 1.00 61.53 H new ATOM 0 HE3 LYS A 70 -6.605 19.642 3.255 1.00 61.53 H new ATOM 0 HZ1 LYS A 70 -7.226 20.511 5.413 1.00 21.14 H new ATOM 0 HZ2 LYS A 70 -6.534 18.970 5.585 1.00 21.14 H new ATOM 0 HZ3 LYS A 70 -5.632 20.354 5.977 1.00 21.14 H new ATOM 1086 N LEU A 71 -6.037 14.654 3.258 1.00 54.00 N ATOM 1087 CA LEU A 71 -7.171 14.121 4.004 1.00 22.52 C ATOM 1088 C LEU A 71 -7.067 12.606 4.144 1.00 23.44 C ATOM 1089 O LEU A 71 -6.092 11.998 3.701 1.00 55.03 O ATOM 1090 CB LEU A 71 -8.483 14.490 3.311 1.00 60.03 C ATOM 1091 CG LEU A 71 -8.526 15.866 2.645 1.00 40.21 C ATOM 1092 CD1 LEU A 71 -9.717 15.968 1.705 1.00 33.03 C ATOM 1093 CD2 LEU A 71 -8.578 16.966 3.696 1.00 54.10 C ATOM 0 H LEU A 71 -6.204 14.764 2.258 1.00 54.00 H new ATOM 0 HA LEU A 71 -7.157 14.562 5.001 1.00 22.52 H new ATOM 0 HB2 LEU A 71 -8.696 13.735 2.554 1.00 60.03 H new ATOM 0 HB3 LEU A 71 -9.286 14.439 4.046 1.00 60.03 H new ATOM 0 HG LEU A 71 -7.616 15.993 2.059 1.00 40.21 H new ATOM 0 HD11 LEU A 71 -9.731 16.954 1.241 1.00 33.03 H new ATOM 0 HD12 LEU A 71 -9.637 15.204 0.932 1.00 33.03 H new ATOM 0 HD13 LEU A 71 -10.639 15.819 2.268 1.00 33.03 H new ATOM 0 HD21 LEU A 71 -8.608 17.938 3.204 1.00 54.10 H new ATOM 0 HD22 LEU A 71 -9.471 16.842 4.309 1.00 54.10 H new ATOM 0 HD23 LEU A 71 -7.692 16.907 4.329 1.00 54.10 H new ATOM 1105 N GLN A 72 -8.077 12.002 4.761 1.00 75.31 N ATOM 1106 CA GLN A 72 -8.098 10.557 4.957 1.00 33.45 C ATOM 1107 C GLN A 72 -9.310 9.932 4.273 1.00 44.13 C ATOM 1108 O GLN A 72 -10.219 10.636 3.833 1.00 12.13 O ATOM 1109 CB GLN A 72 -8.114 10.224 6.450 1.00 21.41 C ATOM 1110 CG GLN A 72 -9.454 10.489 7.118 1.00 3.24 C ATOM 1111 CD GLN A 72 -9.473 10.065 8.574 1.00 12.13 C ATOM 1112 OE1 GLN A 72 -9.688 10.884 9.468 1.00 55.21 O ATOM 1113 NE2 GLN A 72 -9.248 8.779 8.820 1.00 53.45 N ATOM 0 H GLN A 72 -8.891 12.490 5.134 1.00 75.31 H new ATOM 0 HA GLN A 72 -7.196 10.142 4.508 1.00 33.45 H new ATOM 0 HB2 GLN A 72 -7.853 9.174 6.582 1.00 21.41 H new ATOM 0 HB3 GLN A 72 -7.345 10.810 6.953 1.00 21.41 H new ATOM 0 HG2 GLN A 72 -9.686 11.552 7.050 1.00 3.24 H new ATOM 0 HG3 GLN A 72 -10.237 9.956 6.578 1.00 3.24 H new ATOM 0 HE21 GLN A 72 -9.074 8.135 8.048 1.00 53.45 H new ATOM 0 HE22 GLN A 72 -9.249 8.436 9.780 1.00 53.45 H new ATOM 1122 N VAL A 73 -9.315 8.606 4.183 1.00 3.11 N ATOM 1123 CA VAL A 73 -10.414 7.886 3.553 1.00 53.45 C ATOM 1124 C VAL A 73 -11.758 8.323 4.125 1.00 52.53 C ATOM 1125 O VAL A 73 -12.066 8.058 5.286 1.00 41.15 O ATOM 1126 CB VAL A 73 -10.264 6.363 3.731 1.00 14.21 C ATOM 1127 CG1 VAL A 73 -11.437 5.633 3.096 1.00 75.22 C ATOM 1128 CG2 VAL A 73 -8.945 5.886 3.141 1.00 34.23 C ATOM 0 H VAL A 73 -8.569 8.008 4.539 1.00 3.11 H new ATOM 0 HA VAL A 73 -10.380 8.125 2.490 1.00 53.45 H new ATOM 0 HB VAL A 73 -10.262 6.137 4.797 1.00 14.21 H new ATOM 0 HG11 VAL A 73 -11.313 4.559 3.232 1.00 75.22 H new ATOM 0 HG12 VAL A 73 -12.365 5.954 3.569 1.00 75.22 H new ATOM 0 HG13 VAL A 73 -11.475 5.862 2.031 1.00 75.22 H new ATOM 0 HG21 VAL A 73 -8.855 4.808 3.275 1.00 34.23 H new ATOM 0 HG22 VAL A 73 -8.915 6.123 2.077 1.00 34.23 H new ATOM 0 HG23 VAL A 73 -8.118 6.385 3.647 1.00 34.23 H new ATOM 1138 N GLY A 74 -12.555 8.997 3.300 1.00 41.41 N ATOM 1139 CA GLY A 74 -13.857 9.461 3.742 1.00 61.25 C ATOM 1140 C GLY A 74 -13.768 10.701 4.610 1.00 43.11 C ATOM 1141 O GLY A 74 -14.429 10.791 5.644 1.00 62.02 O ATOM 0 H GLY A 74 -12.322 9.229 2.335 1.00 41.41 H new ATOM 0 HA2 GLY A 74 -14.478 9.674 2.872 1.00 61.25 H new ATOM 0 HA3 GLY A 74 -14.352 8.666 4.299 1.00 61.25 H new ATOM 1145 N GLU A 75 -12.945 11.657 4.190 1.00 0.30 N ATOM 1146 CA GLU A 75 -12.770 12.896 4.938 1.00 11.53 C ATOM 1147 C GLU A 75 -12.921 14.109 4.025 1.00 0.52 C ATOM 1148 O GLU A 75 -12.621 14.044 2.833 1.00 11.20 O ATOM 1149 CB GLU A 75 -11.397 12.920 5.614 1.00 13.10 C ATOM 1150 CG GLU A 75 -11.430 13.442 7.040 1.00 34.04 C ATOM 1151 CD GLU A 75 -10.130 14.105 7.450 1.00 61.34 C ATOM 1152 OE1 GLU A 75 -9.679 15.020 6.729 1.00 23.24 O ATOM 1153 OE2 GLU A 75 -9.563 13.709 8.490 1.00 63.51 O ATOM 0 H GLU A 75 -12.390 11.597 3.337 1.00 0.30 H new ATOM 0 HA GLU A 75 -13.545 12.941 5.703 1.00 11.53 H new ATOM 0 HB2 GLU A 75 -10.984 11.911 5.615 1.00 13.10 H new ATOM 0 HB3 GLU A 75 -10.722 13.540 5.024 1.00 13.10 H new ATOM 0 HG2 GLU A 75 -12.246 14.157 7.142 1.00 34.04 H new ATOM 0 HG3 GLU A 75 -11.643 12.617 7.720 1.00 34.04 H new ATOM 1160 N VAL A 76 -13.387 15.217 4.594 1.00 33.42 N ATOM 1161 CA VAL A 76 -13.578 16.445 3.833 1.00 2.51 C ATOM 1162 C VAL A 76 -12.509 17.477 4.177 1.00 21.02 C ATOM 1163 O VAL A 76 -12.130 17.628 5.339 1.00 51.50 O ATOM 1164 CB VAL A 76 -14.967 17.057 4.092 1.00 75.01 C ATOM 1165 CG1 VAL A 76 -15.136 18.350 3.309 1.00 35.14 C ATOM 1166 CG2 VAL A 76 -16.061 16.061 3.735 1.00 15.22 C ATOM 0 H VAL A 76 -13.639 15.288 5.580 1.00 33.42 H new ATOM 0 HA VAL A 76 -13.497 16.179 2.779 1.00 2.51 H new ATOM 0 HB VAL A 76 -15.050 17.290 5.153 1.00 75.01 H new ATOM 0 HG11 VAL A 76 -16.124 18.768 3.505 1.00 35.14 H new ATOM 0 HG12 VAL A 76 -14.372 19.064 3.617 1.00 35.14 H new ATOM 0 HG13 VAL A 76 -15.033 18.146 2.243 1.00 35.14 H new ATOM 0 HG21 VAL A 76 -17.037 16.509 3.924 1.00 15.22 H new ATOM 0 HG22 VAL A 76 -15.981 15.796 2.681 1.00 15.22 H new ATOM 0 HG23 VAL A 76 -15.950 15.164 4.344 1.00 15.22 H new ATOM 1176 N SER A 77 -12.027 18.184 3.160 1.00 20.44 N ATOM 1177 CA SER A 77 -10.999 19.199 3.355 1.00 1.22 C ATOM 1178 C SER A 77 -11.616 20.515 3.817 1.00 0.45 C ATOM 1179 O SER A 77 -12.783 20.563 4.206 1.00 41.43 O ATOM 1180 CB SER A 77 -10.215 19.417 2.059 1.00 73.24 C ATOM 1181 OG SER A 77 -10.804 20.440 1.274 1.00 41.41 O ATOM 0 H SER A 77 -12.332 18.073 2.193 1.00 20.44 H new ATOM 0 HA SER A 77 -10.317 18.846 4.129 1.00 1.22 H new ATOM 0 HB2 SER A 77 -9.184 19.682 2.294 1.00 73.24 H new ATOM 0 HB3 SER A 77 -10.183 18.489 1.489 1.00 73.24 H new ATOM 0 HG SER A 77 -10.222 21.228 1.274 1.00 41.41 H new ATOM 1187 N GLU A 78 -10.823 21.581 3.772 1.00 43.44 N ATOM 1188 CA GLU A 78 -11.291 22.899 4.187 1.00 12.43 C ATOM 1189 C GLU A 78 -11.574 23.782 2.975 1.00 1.24 C ATOM 1190 O GLU A 78 -11.110 23.523 1.865 1.00 52.41 O ATOM 1191 CB GLU A 78 -10.256 23.571 5.092 1.00 52.14 C ATOM 1192 CG GLU A 78 -8.819 23.253 4.714 1.00 73.24 C ATOM 1193 CD GLU A 78 -7.813 23.933 5.620 1.00 20.13 C ATOM 1194 OE1 GLU A 78 -7.556 23.407 6.723 1.00 61.50 O ATOM 1195 OE2 GLU A 78 -7.281 24.993 5.227 1.00 71.22 O ATOM 0 H GLU A 78 -9.855 21.558 3.453 1.00 43.44 H new ATOM 0 HA GLU A 78 -12.219 22.768 4.744 1.00 12.43 H new ATOM 0 HB2 GLU A 78 -10.402 24.651 5.057 1.00 52.14 H new ATOM 0 HB3 GLU A 78 -10.429 23.259 6.122 1.00 52.14 H new ATOM 0 HG2 GLU A 78 -8.667 22.174 4.754 1.00 73.24 H new ATOM 0 HG3 GLU A 78 -8.641 23.562 3.684 1.00 73.24 H new ATOM 1202 N PRO A 79 -12.354 24.852 3.192 1.00 4.33 N ATOM 1203 CA PRO A 79 -12.716 25.796 2.132 1.00 70.24 C ATOM 1204 C PRO A 79 -11.528 26.634 1.669 1.00 62.42 C ATOM 1205 O PRO A 79 -11.336 27.760 2.126 1.00 2.52 O ATOM 1206 CB PRO A 79 -13.771 26.685 2.793 1.00 50.24 C ATOM 1207 CG PRO A 79 -13.472 26.608 4.250 1.00 11.45 C ATOM 1208 CD PRO A 79 -12.940 25.223 4.491 1.00 52.32 C ATOM 0 HA PRO A 79 -13.069 25.285 1.236 1.00 70.24 H new ATOM 0 HB2 PRO A 79 -13.708 27.711 2.430 1.00 50.24 H new ATOM 0 HB3 PRO A 79 -14.779 26.331 2.576 1.00 50.24 H new ATOM 0 HG2 PRO A 79 -12.740 27.363 4.539 1.00 11.45 H new ATOM 0 HG3 PRO A 79 -14.369 26.790 4.842 1.00 11.45 H new ATOM 0 HD2 PRO A 79 -12.195 25.212 5.286 1.00 52.32 H new ATOM 0 HD3 PRO A 79 -13.732 24.534 4.786 1.00 52.32 H new ATOM 1216 N ILE A 80 -10.734 26.075 0.761 1.00 32.02 N ATOM 1217 CA ILE A 80 -9.566 26.772 0.237 1.00 52.10 C ATOM 1218 C ILE A 80 -9.973 27.853 -0.759 1.00 4.55 C ATOM 1219 O ILE A 80 -10.425 27.557 -1.865 1.00 30.24 O ATOM 1220 CB ILE A 80 -8.591 25.798 -0.450 1.00 54.13 C ATOM 1221 CG1 ILE A 80 -8.300 24.605 0.463 1.00 61.42 C ATOM 1222 CG2 ILE A 80 -7.302 26.514 -0.823 1.00 25.04 C ATOM 1223 CD1 ILE A 80 -7.509 24.969 1.699 1.00 44.10 C ATOM 0 H ILE A 80 -10.878 25.143 0.374 1.00 32.02 H new ATOM 0 HA ILE A 80 -9.066 27.234 1.088 1.00 52.10 H new ATOM 0 HB ILE A 80 -9.055 25.427 -1.364 1.00 54.13 H new ATOM 0 HG12 ILE A 80 -9.244 24.151 0.766 1.00 61.42 H new ATOM 0 HG13 ILE A 80 -7.751 23.852 -0.101 1.00 61.42 H new ATOM 0 HG21 ILE A 80 -6.623 25.812 -1.308 1.00 25.04 H new ATOM 0 HG22 ILE A 80 -7.526 27.333 -1.506 1.00 25.04 H new ATOM 0 HG23 ILE A 80 -6.832 26.910 0.077 1.00 25.04 H new ATOM 0 HD11 ILE A 80 -7.340 24.075 2.299 1.00 44.10 H new ATOM 0 HD12 ILE A 80 -6.550 25.395 1.405 1.00 44.10 H new ATOM 0 HD13 ILE A 80 -8.066 25.700 2.286 1.00 44.10 H new ATOM 1235 N LYS A 81 -9.805 29.110 -0.359 1.00 51.32 N ATOM 1236 CA LYS A 81 -10.151 30.238 -1.217 1.00 23.04 C ATOM 1237 C LYS A 81 -9.108 30.428 -2.313 1.00 71.21 C ATOM 1238 O LYS A 81 -7.958 30.771 -2.036 1.00 50.54 O ATOM 1239 CB LYS A 81 -10.272 31.518 -0.386 1.00 31.31 C ATOM 1240 CG LYS A 81 -10.652 32.739 -1.204 1.00 3.53 C ATOM 1241 CD LYS A 81 -11.993 33.307 -0.770 1.00 34.14 C ATOM 1242 CE LYS A 81 -11.830 34.337 0.339 1.00 64.23 C ATOM 1243 NZ LYS A 81 -11.214 33.746 1.559 1.00 45.14 N ATOM 0 H LYS A 81 -9.432 29.373 0.553 1.00 51.32 H new ATOM 0 HA LYS A 81 -11.111 30.024 -1.687 1.00 23.04 H new ATOM 0 HB2 LYS A 81 -11.019 31.366 0.393 1.00 31.31 H new ATOM 0 HB3 LYS A 81 -9.323 31.707 0.115 1.00 31.31 H new ATOM 0 HG2 LYS A 81 -9.881 33.503 -1.099 1.00 3.53 H new ATOM 0 HG3 LYS A 81 -10.694 32.472 -2.260 1.00 3.53 H new ATOM 0 HD2 LYS A 81 -12.488 33.767 -1.625 1.00 34.14 H new ATOM 0 HD3 LYS A 81 -12.637 32.498 -0.425 1.00 34.14 H new ATOM 0 HE2 LYS A 81 -11.211 35.160 -0.018 1.00 64.23 H new ATOM 0 HE3 LYS A 81 -12.804 34.757 0.591 1.00 64.23 H new ATOM 0 HZ1 LYS A 81 -11.289 34.420 2.347 1.00 45.14 H new ATOM 0 HZ2 LYS A 81 -11.710 32.866 1.807 1.00 45.14 H new ATOM 0 HZ3 LYS A 81 -10.212 33.538 1.376 1.00 45.14 H new ATOM 1257 N SER A 82 -9.517 30.203 -3.558 1.00 63.22 N ATOM 1258 CA SER A 82 -8.616 30.347 -4.696 1.00 14.13 C ATOM 1259 C SER A 82 -9.255 31.197 -5.789 1.00 61.44 C ATOM 1260 O SER A 82 -10.307 31.802 -5.585 1.00 23.01 O ATOM 1261 CB SER A 82 -8.243 28.973 -5.254 1.00 65.10 C ATOM 1262 OG SER A 82 -8.277 27.983 -4.241 1.00 62.01 O ATOM 0 H SER A 82 -10.466 29.920 -3.804 1.00 63.22 H new ATOM 0 HA SER A 82 -7.712 30.849 -4.352 1.00 14.13 H new ATOM 0 HB2 SER A 82 -8.933 28.703 -6.054 1.00 65.10 H new ATOM 0 HB3 SER A 82 -7.246 29.014 -5.693 1.00 65.10 H new ATOM 0 HG SER A 82 -7.959 27.131 -4.606 1.00 62.01 H new ATOM 1268 N GLU A 83 -8.610 31.237 -6.952 1.00 34.33 N ATOM 1269 CA GLU A 83 -9.115 32.013 -8.079 1.00 33.04 C ATOM 1270 C GLU A 83 -10.515 31.549 -8.475 1.00 3.23 C ATOM 1271 O GLU A 83 -11.289 32.308 -9.059 1.00 2.23 O ATOM 1272 CB GLU A 83 -8.169 31.893 -9.274 1.00 21.22 C ATOM 1273 CG GLU A 83 -7.969 30.464 -9.751 1.00 72.04 C ATOM 1274 CD GLU A 83 -7.405 30.392 -11.158 1.00 2.25 C ATOM 1275 OE1 GLU A 83 -7.898 31.131 -12.034 1.00 12.21 O ATOM 1276 OE2 GLU A 83 -6.468 29.595 -11.380 1.00 14.31 O ATOM 0 H GLU A 83 -7.738 30.742 -7.138 1.00 34.33 H new ATOM 0 HA GLU A 83 -9.170 33.058 -7.773 1.00 33.04 H new ATOM 0 HB2 GLU A 83 -8.560 32.491 -10.098 1.00 21.22 H new ATOM 0 HB3 GLU A 83 -7.201 32.316 -9.004 1.00 21.22 H new ATOM 0 HG2 GLU A 83 -7.296 29.947 -9.067 1.00 72.04 H new ATOM 0 HG3 GLU A 83 -8.923 29.937 -9.718 1.00 72.04 H new ATOM 1283 N PHE A 84 -10.831 30.299 -8.154 1.00 44.21 N ATOM 1284 CA PHE A 84 -12.134 29.733 -8.478 1.00 14.31 C ATOM 1285 C PHE A 84 -13.079 29.824 -7.282 1.00 63.04 C ATOM 1286 O PHE A 84 -14.298 29.760 -7.433 1.00 51.52 O ATOM 1287 CB PHE A 84 -11.987 28.275 -8.916 1.00 50.52 C ATOM 1288 CG PHE A 84 -10.876 28.055 -9.902 1.00 71.02 C ATOM 1289 CD1 PHE A 84 -10.830 28.775 -11.085 1.00 11.11 C ATOM 1290 CD2 PHE A 84 -9.878 27.128 -9.647 1.00 53.33 C ATOM 1291 CE1 PHE A 84 -9.809 28.574 -11.996 1.00 13.14 C ATOM 1292 CE2 PHE A 84 -8.855 26.923 -10.553 1.00 44.40 C ATOM 1293 CZ PHE A 84 -8.820 27.648 -11.728 1.00 52.13 C ATOM 0 H PHE A 84 -10.202 29.659 -7.670 1.00 44.21 H new ATOM 0 HA PHE A 84 -12.558 30.310 -9.300 1.00 14.31 H new ATOM 0 HB2 PHE A 84 -11.810 27.656 -8.037 1.00 50.52 H new ATOM 0 HB3 PHE A 84 -12.926 27.940 -9.358 1.00 50.52 H new ATOM 0 HD1 PHE A 84 -11.600 29.501 -11.298 1.00 11.11 H new ATOM 0 HD2 PHE A 84 -9.900 26.559 -8.729 1.00 53.33 H new ATOM 0 HE1 PHE A 84 -9.785 29.140 -12.915 1.00 13.14 H new ATOM 0 HE2 PHE A 84 -8.084 26.197 -10.343 1.00 44.40 H new ATOM 0 HZ PHE A 84 -8.020 27.491 -12.436 1.00 52.13 H new ATOM 1303 N GLY A 85 -12.505 29.973 -6.093 1.00 1.35 N ATOM 1304 CA GLY A 85 -13.308 30.070 -4.888 1.00 31.15 C ATOM 1305 C GLY A 85 -12.932 29.026 -3.855 1.00 2.12 C ATOM 1306 O GLY A 85 -11.801 28.540 -3.836 1.00 2.11 O ATOM 0 H GLY A 85 -11.498 30.028 -5.942 1.00 1.35 H new ATOM 0 HA2 GLY A 85 -13.190 31.064 -4.456 1.00 31.15 H new ATOM 0 HA3 GLY A 85 -14.361 29.958 -5.147 1.00 31.15 H new ATOM 1310 N TYR A 86 -13.881 28.681 -2.992 1.00 22.05 N ATOM 1311 CA TYR A 86 -13.642 27.691 -1.948 1.00 10.32 C ATOM 1312 C TYR A 86 -13.654 26.278 -2.525 1.00 44.40 C ATOM 1313 O TYR A 86 -14.629 25.857 -3.147 1.00 63.02 O ATOM 1314 CB TYR A 86 -14.699 27.814 -0.848 1.00 64.22 C ATOM 1315 CG TYR A 86 -14.641 29.124 -0.097 1.00 33.41 C ATOM 1316 CD1 TYR A 86 -13.492 29.506 0.583 1.00 3.43 C ATOM 1317 CD2 TYR A 86 -15.735 29.979 -0.067 1.00 31.15 C ATOM 1318 CE1 TYR A 86 -13.434 30.703 1.272 1.00 11.43 C ATOM 1319 CE2 TYR A 86 -15.687 31.177 0.618 1.00 10.34 C ATOM 1320 CZ TYR A 86 -14.534 31.535 1.286 1.00 11.55 C ATOM 1321 OH TYR A 86 -14.483 32.728 1.971 1.00 23.23 O ATOM 0 H TYR A 86 -14.823 29.072 -2.995 1.00 22.05 H new ATOM 0 HA TYR A 86 -12.658 27.881 -1.520 1.00 10.32 H new ATOM 0 HB2 TYR A 86 -15.688 27.703 -1.292 1.00 64.22 H new ATOM 0 HB3 TYR A 86 -14.573 26.994 -0.141 1.00 64.22 H new ATOM 0 HD1 TYR A 86 -12.629 28.857 0.573 1.00 3.43 H new ATOM 0 HD2 TYR A 86 -16.639 29.702 -0.589 1.00 31.15 H new ATOM 0 HE1 TYR A 86 -12.533 30.985 1.796 1.00 11.43 H new ATOM 0 HE2 TYR A 86 -16.547 31.830 0.631 1.00 10.34 H new ATOM 0 HH TYR A 86 -15.340 33.195 1.880 1.00 23.23 H new ATOM 1331 N HIS A 87 -12.561 25.551 -2.312 1.00 31.02 N ATOM 1332 CA HIS A 87 -12.443 24.185 -2.808 1.00 34.02 C ATOM 1333 C HIS A 87 -12.715 23.177 -1.695 1.00 24.01 C ATOM 1334 O HIS A 87 -12.060 23.199 -0.653 1.00 24.03 O ATOM 1335 CB HIS A 87 -11.052 23.951 -3.396 1.00 71.40 C ATOM 1336 CG HIS A 87 -10.827 24.654 -4.700 1.00 21.05 C ATOM 1337 ND1 HIS A 87 -11.026 24.052 -5.924 1.00 13.24 N ATOM 1338 CD2 HIS A 87 -10.418 25.917 -4.965 1.00 33.21 C ATOM 1339 CE1 HIS A 87 -10.749 24.913 -6.886 1.00 45.43 C ATOM 1340 NE2 HIS A 87 -10.377 26.053 -6.331 1.00 21.01 N ATOM 0 H HIS A 87 -11.745 25.886 -1.799 1.00 31.02 H new ATOM 0 HA HIS A 87 -13.188 24.044 -3.591 1.00 34.02 H new ATOM 0 HB2 HIS A 87 -10.302 24.285 -2.679 1.00 71.40 H new ATOM 0 HB3 HIS A 87 -10.902 22.881 -3.539 1.00 71.40 H new ATOM 0 HD1 HIS A 87 -11.338 23.091 -6.065 1.00 13.24 H new ATOM 0 HD2 HIS A 87 -10.170 26.676 -4.238 1.00 33.21 H new ATOM 0 HE1 HIS A 87 -10.815 24.719 -7.946 1.00 45.43 H new ATOM 1348 N ILE A 88 -13.682 22.296 -1.923 1.00 14.33 N ATOM 1349 CA ILE A 88 -14.039 21.281 -0.939 1.00 63.02 C ATOM 1350 C ILE A 88 -13.666 19.886 -1.430 1.00 31.45 C ATOM 1351 O ILE A 88 -14.497 19.174 -1.996 1.00 41.44 O ATOM 1352 CB ILE A 88 -15.544 21.314 -0.616 1.00 44.32 C ATOM 1353 CG1 ILE A 88 -15.949 22.701 -0.111 1.00 61.23 C ATOM 1354 CG2 ILE A 88 -15.888 20.249 0.414 1.00 33.12 C ATOM 1355 CD1 ILE A 88 -15.185 23.144 1.116 1.00 30.14 C ATOM 0 H ILE A 88 -14.233 22.264 -2.781 1.00 14.33 H new ATOM 0 HA ILE A 88 -13.477 21.508 -0.033 1.00 63.02 H new ATOM 0 HB ILE A 88 -16.101 21.103 -1.529 1.00 44.32 H new ATOM 0 HG12 ILE A 88 -15.794 23.428 -0.908 1.00 61.23 H new ATOM 0 HG13 ILE A 88 -17.015 22.699 0.116 1.00 61.23 H new ATOM 0 HG21 ILE A 88 -16.955 20.285 0.632 1.00 33.12 H new ATOM 0 HG22 ILE A 88 -15.631 19.266 0.020 1.00 33.12 H new ATOM 0 HG23 ILE A 88 -15.325 20.432 1.329 1.00 33.12 H new ATOM 0 HD11 ILE A 88 -15.524 24.135 1.418 1.00 30.14 H new ATOM 0 HD12 ILE A 88 -15.360 22.438 1.928 1.00 30.14 H new ATOM 0 HD13 ILE A 88 -14.120 23.179 0.888 1.00 30.14 H new ATOM 1367 N ILE A 89 -12.415 19.501 -1.207 1.00 63.21 N ATOM 1368 CA ILE A 89 -11.933 18.190 -1.623 1.00 60.34 C ATOM 1369 C ILE A 89 -12.333 17.113 -0.620 1.00 55.44 C ATOM 1370 O ILE A 89 -12.245 17.314 0.591 1.00 22.44 O ATOM 1371 CB ILE A 89 -10.402 18.178 -1.789 1.00 31.22 C ATOM 1372 CG1 ILE A 89 -9.943 19.407 -2.576 1.00 1.22 C ATOM 1373 CG2 ILE A 89 -9.954 16.900 -2.482 1.00 20.05 C ATOM 1374 CD1 ILE A 89 -9.254 20.448 -1.723 1.00 4.52 C ATOM 0 H ILE A 89 -11.716 20.079 -0.740 1.00 63.21 H new ATOM 0 HA ILE A 89 -12.396 17.976 -2.586 1.00 60.34 H new ATOM 0 HB ILE A 89 -9.944 18.211 -0.801 1.00 31.22 H new ATOM 0 HG12 ILE A 89 -9.263 19.089 -3.367 1.00 1.22 H new ATOM 0 HG13 ILE A 89 -10.807 19.861 -3.062 1.00 1.22 H new ATOM 0 HG21 ILE A 89 -8.870 16.907 -2.592 1.00 20.05 H new ATOM 0 HG22 ILE A 89 -10.253 16.038 -1.885 1.00 20.05 H new ATOM 0 HG23 ILE A 89 -10.418 16.838 -3.466 1.00 20.05 H new ATOM 0 HD11 ILE A 89 -8.956 21.291 -2.347 1.00 4.52 H new ATOM 0 HD12 ILE A 89 -9.938 20.794 -0.948 1.00 4.52 H new ATOM 0 HD13 ILE A 89 -8.371 20.011 -1.258 1.00 4.52 H new ATOM 1386 N LYS A 90 -12.772 15.969 -1.133 1.00 21.25 N ATOM 1387 CA LYS A 90 -13.184 14.857 -0.283 1.00 42.34 C ATOM 1388 C LYS A 90 -12.713 13.526 -0.863 1.00 1.53 C ATOM 1389 O LYS A 90 -13.072 13.166 -1.983 1.00 61.44 O ATOM 1390 CB LYS A 90 -14.705 14.847 -0.124 1.00 35.32 C ATOM 1391 CG LYS A 90 -15.216 13.721 0.759 1.00 75.35 C ATOM 1392 CD LYS A 90 -16.724 13.569 0.653 1.00 54.15 C ATOM 1393 CE LYS A 90 -17.198 12.259 1.263 1.00 3.41 C ATOM 1394 NZ LYS A 90 -18.522 11.843 0.724 1.00 24.32 N ATOM 0 H LYS A 90 -12.852 15.787 -2.133 1.00 21.25 H new ATOM 0 HA LYS A 90 -12.724 14.990 0.696 1.00 42.34 H new ATOM 0 HB2 LYS A 90 -15.024 15.801 0.296 1.00 35.32 H new ATOM 0 HB3 LYS A 90 -15.165 14.763 -1.109 1.00 35.32 H new ATOM 0 HG2 LYS A 90 -14.734 12.786 0.473 1.00 75.35 H new ATOM 0 HG3 LYS A 90 -14.941 13.917 1.795 1.00 75.35 H new ATOM 0 HD2 LYS A 90 -17.211 14.403 1.158 1.00 54.15 H new ATOM 0 HD3 LYS A 90 -17.022 13.612 -0.395 1.00 54.15 H new ATOM 0 HE2 LYS A 90 -16.463 11.479 1.064 1.00 3.41 H new ATOM 0 HE3 LYS A 90 -17.264 12.365 2.346 1.00 3.41 H new ATOM 0 HZ1 LYS A 90 -18.717 10.860 1.003 1.00 24.32 H new ATOM 0 HZ2 LYS A 90 -19.263 12.465 1.105 1.00 24.32 H new ATOM 0 HZ3 LYS A 90 -18.512 11.913 -0.314 1.00 24.32 H new ATOM 1408 N ARG A 91 -11.909 12.802 -0.090 1.00 75.23 N ATOM 1409 CA ARG A 91 -11.391 11.511 -0.528 1.00 21.03 C ATOM 1410 C ARG A 91 -12.513 10.484 -0.641 1.00 14.41 C ATOM 1411 O ARG A 91 -13.473 10.510 0.130 1.00 4.34 O ATOM 1412 CB ARG A 91 -10.323 11.011 0.447 1.00 75.13 C ATOM 1413 CG ARG A 91 -9.516 9.836 -0.084 1.00 15.43 C ATOM 1414 CD ARG A 91 -8.392 9.458 0.868 1.00 4.10 C ATOM 1415 NE ARG A 91 -7.173 10.219 0.604 1.00 71.01 N ATOM 1416 CZ ARG A 91 -6.041 10.048 1.276 1.00 22.33 C ATOM 1417 NH1 ARG A 91 -5.971 9.146 2.246 1.00 34.15 N ATOM 1418 NH2 ARG A 91 -4.974 10.778 0.978 1.00 22.22 N ATOM 0 H ARG A 91 -11.603 13.087 0.840 1.00 75.23 H new ATOM 0 HA ARG A 91 -10.943 11.642 -1.513 1.00 21.03 H new ATOM 0 HB2 ARG A 91 -9.644 11.831 0.681 1.00 75.13 H new ATOM 0 HB3 ARG A 91 -10.804 10.719 1.381 1.00 75.13 H new ATOM 0 HG2 ARG A 91 -10.173 8.979 -0.232 1.00 15.43 H new ATOM 0 HG3 ARG A 91 -9.099 10.090 -1.059 1.00 15.43 H new ATOM 0 HD2 ARG A 91 -8.713 9.632 1.895 1.00 4.10 H new ATOM 0 HD3 ARG A 91 -8.182 8.392 0.776 1.00 4.10 H new ATOM 0 HE ARG A 91 -7.193 10.920 -0.137 1.00 71.01 H new ATOM 0 HH11 ARG A 91 -6.788 8.581 2.477 1.00 34.15 H new ATOM 0 HH12 ARG A 91 -5.100 9.017 2.761 1.00 34.15 H new ATOM 0 HH21 ARG A 91 -5.023 11.472 0.232 1.00 22.22 H new ATOM 0 HH22 ARG A 91 -4.105 10.646 1.495 1.00 22.22 H new ATOM 1432 N PHE A 92 -12.387 9.581 -1.607 1.00 2.12 N ATOM 1433 CA PHE A 92 -13.391 8.545 -1.823 1.00 2.43 C ATOM 1434 C PHE A 92 -12.756 7.158 -1.799 1.00 11.14 C ATOM 1435 O PHE A 92 -13.372 6.188 -1.359 1.00 3.21 O ATOM 1436 CB PHE A 92 -14.106 8.769 -3.156 1.00 42.24 C ATOM 1437 CG PHE A 92 -15.321 9.645 -3.046 1.00 33.22 C ATOM 1438 CD1 PHE A 92 -15.223 10.928 -2.532 1.00 74.31 C ATOM 1439 CD2 PHE A 92 -16.563 9.185 -3.456 1.00 24.00 C ATOM 1440 CE1 PHE A 92 -16.340 11.735 -2.428 1.00 34.11 C ATOM 1441 CE2 PHE A 92 -17.683 9.988 -3.356 1.00 32.24 C ATOM 1442 CZ PHE A 92 -17.571 11.265 -2.842 1.00 20.22 C ATOM 0 H PHE A 92 -11.599 9.545 -2.254 1.00 2.12 H new ATOM 0 HA PHE A 92 -14.119 8.605 -1.014 1.00 2.43 H new ATOM 0 HB2 PHE A 92 -13.408 9.217 -3.863 1.00 42.24 H new ATOM 0 HB3 PHE A 92 -14.400 7.804 -3.568 1.00 42.24 H new ATOM 0 HD1 PHE A 92 -14.263 11.302 -2.209 1.00 74.31 H new ATOM 0 HD2 PHE A 92 -16.656 8.187 -3.858 1.00 24.00 H new ATOM 0 HE1 PHE A 92 -16.250 12.732 -2.023 1.00 34.11 H new ATOM 0 HE2 PHE A 92 -18.645 9.618 -3.679 1.00 32.24 H new ATOM 0 HZ PHE A 92 -18.445 11.895 -2.764 1.00 20.22 H new ATOM 1452 N GLY A 93 -11.518 7.073 -2.276 1.00 22.10 N ATOM 1453 CA GLY A 93 -10.819 5.801 -2.302 1.00 32.10 C ATOM 1454 C GLY A 93 -11.644 4.699 -2.936 1.00 15.13 C ATOM 1455 O GLY A 93 -11.689 3.578 -2.429 1.00 33.23 O ATOM 0 H GLY A 93 -10.987 7.862 -2.645 1.00 22.10 H new ATOM 0 HA2 GLY A 93 -9.885 5.914 -2.853 1.00 32.10 H new ATOM 0 HA3 GLY A 93 -10.556 5.514 -1.284 1.00 32.10 H new