USER MOD reduce.3.24.130724 H: found=0, std=0, add=1059, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 1067 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 22 ASN : amide:sc= -0.779 K(o=-1.2,f=-10!) USER MOD Set 1.2: A 43 LYS NZ :NH3+ -151:sc= -0.456 (180deg=-2.73!) USER MOD Set 2.1: A 31 THR OG1 : rot -139:sc= -0.466! USER MOD Set 2.2: A 37 GLN : amide:sc= 1.09 K(o=0.63,f=-3.9) USER MOD Single : A 16 SER OG : rot -107:sc= 0.959 USER MOD Single : A 17 HIS : no HE2:sc= 0 X(o=0,f=-0.036) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 HIS : no HD1:sc= -1.78 X(o=-1.8,f=-1.3) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 ASN : amide:sc= -0.0801 K(o=-0.08,f=-1.4!) USER MOD Single : A 33 ASN : amide:sc= -0.272 K(o=-0.27,f=-0.82) USER MOD Single : A 48 GLN : amide:sc= -0.55 K(o=-0.55,f=-1.2) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 GLN : amide:sc= -2.27! C(o=-2.3!,f=-5!) USER MOD Single : A 61 TYR OH : rot -30:sc= -0.309 USER MOD Single : A 64 LYS NZ :NH3+ -169:sc= 0.983 (180deg=0.891) USER MOD Single : A 67 ASN : amide:sc= -1.15 K(o=-1.1,f=-4.3!) USER MOD Single : B 123 SER OG : rot 45:sc= 1.25 USER MOD Single : B 124 MET CE :methyl -165:sc= -0.0888 (180deg=-0.487) USER MOD Single : B 125 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 216 SER OG : rot -100:sc= -0.0344 USER MOD Single : C 217 HIS : no HD1:sc=-0.00421 X(o=-0.0042,f=0) USER MOD Single : C 222 ASN :FLIP amide:sc= -2.18! C(o=-4!,f=-2.2!) USER MOD Single : C 224 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 225 HIS :FLIP no HD1:sc= -1.28 F(o=-1.9,f=-1.3) USER MOD Single : C 227 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 230 ASN : amide:sc= -0.0492 X(o=-0.049,f=0) USER MOD Single : C 231 THR OG1 : rot -120:sc= -3.37! USER MOD Single : C 233 ASN : amide:sc= -0.044 X(o=-0.044,f=-0.39) USER MOD Single : C 237 GLN : amide:sc= -0.831! C(o=-0.83!,f=-6.1!) USER MOD Single : C 243 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 248 GLN : amide:sc= -0.789 K(o=-0.79,f=-1.8) USER MOD Single : C 254 LYS NZ :NH3+ 150:sc= 1.01 (180deg=0.327) USER MOD Single : C 256 LYS NZ :NH3+ -178:sc= 1.22 (180deg=1.12) USER MOD Single : C 259 GLN : amide:sc= -1.71 X(o=-1.7,f=-2.2) USER MOD Single : C 261 TYR OH : rot 50:sc= -0.273 USER MOD Single : C 264 LYS NZ :NH3+ 173:sc=-0.00993 (180deg=-0.0974) USER MOD Single : C 267 ASN : amide:sc= -0.807 K(o=-0.81,f=-1.8!) USER MOD Single : D 323 SER OG : rot 45:sc= 1.08 USER MOD Single : D 324 MET CE :methyl -155:sc= -0.246 (180deg=-1.04) USER MOD Single : D 325 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 115 N ARG A 8 3.160 10.079 -15.125 1.00 71.22 N ATOM 116 CA ARG A 8 1.728 10.189 -15.226 1.00 53.51 C ATOM 117 C ARG A 8 1.159 9.451 -14.030 1.00 44.22 C ATOM 118 O ARG A 8 1.870 8.642 -13.423 1.00 11.04 O ATOM 119 CB ARG A 8 1.220 9.562 -16.555 1.00 51.33 C ATOM 120 CG ARG A 8 -0.300 9.631 -16.740 1.00 5.43 C ATOM 121 CD ARG A 8 -0.765 9.032 -18.057 1.00 43.44 C ATOM 122 NE ARG A 8 -0.277 9.787 -19.219 1.00 41.14 N ATOM 123 CZ ARG A 8 -0.944 9.910 -20.375 1.00 5.33 C ATOM 124 NH1 ARG A 8 -2.139 9.340 -20.528 1.00 31.00 N ATOM 125 NH2 ARG A 8 -0.418 10.603 -21.375 1.00 35.04 N ATOM 0 HA ARG A 8 1.412 11.232 -15.231 1.00 53.51 H new ATOM 0 HB2 ARG A 8 1.700 10.071 -17.391 1.00 51.33 H new ATOM 0 HB3 ARG A 8 1.533 8.519 -16.595 1.00 51.33 H new ATOM 0 HG2 ARG A 8 -0.785 9.106 -15.917 1.00 5.43 H new ATOM 0 HG3 ARG A 8 -0.620 10.672 -16.687 1.00 5.43 H new ATOM 0 HD2 ARG A 8 -0.419 8.001 -18.126 1.00 43.44 H new ATOM 0 HD3 ARG A 8 -1.854 9.005 -18.076 1.00 43.44 H new ATOM 0 HE ARG A 8 0.629 10.248 -19.141 1.00 41.14 H new ATOM 0 HH11 ARG A 8 -2.551 8.806 -19.763 1.00 31.00 H new ATOM 0 HH12 ARG A 8 -2.641 9.438 -21.410 1.00 31.00 H new ATOM 0 HH21 ARG A 8 0.495 11.043 -21.265 1.00 35.04 H new ATOM 0 HH22 ARG A 8 -0.927 10.696 -22.254 1.00 35.04 H new ATOM 139 N CYS A 9 -0.071 9.697 -13.684 1.00 3.24 N ATOM 140 CA CYS A 9 -0.652 9.023 -12.562 1.00 2.45 C ATOM 141 C CYS A 9 -1.422 7.800 -13.069 1.00 24.34 C ATOM 142 O CYS A 9 -2.188 7.893 -14.043 1.00 61.45 O ATOM 143 CB CYS A 9 -1.560 9.996 -11.788 1.00 23.14 C ATOM 144 SG CYS A 9 -0.669 11.489 -11.192 1.00 22.13 S ATOM 0 H CYS A 9 -0.687 10.356 -14.160 1.00 3.24 H new ATOM 0 HA CYS A 9 0.121 8.681 -11.874 1.00 2.45 H new ATOM 0 HB2 CYS A 9 -2.385 10.304 -12.431 1.00 23.14 H new ATOM 0 HB3 CYS A 9 -1.997 9.476 -10.936 1.00 23.14 H new ATOM 149 N PRO A 10 -1.201 6.628 -12.415 1.00 52.21 N ATOM 150 CA PRO A 10 -1.763 5.332 -12.836 1.00 5.00 C ATOM 151 C PRO A 10 -3.281 5.324 -12.973 1.00 2.53 C ATOM 152 O PRO A 10 -3.806 5.112 -14.053 1.00 65.53 O ATOM 153 CB PRO A 10 -1.312 4.359 -11.727 1.00 64.23 C ATOM 154 CG PRO A 10 -0.878 5.232 -10.597 1.00 75.21 C ATOM 155 CD PRO A 10 -0.355 6.478 -11.224 1.00 24.41 C ATOM 0 HA PRO A 10 -1.412 5.067 -13.833 1.00 5.00 H new ATOM 0 HB2 PRO A 10 -2.126 3.700 -11.426 1.00 64.23 H new ATOM 0 HB3 PRO A 10 -0.496 3.722 -12.069 1.00 64.23 H new ATOM 0 HG2 PRO A 10 -1.711 5.450 -9.929 1.00 75.21 H new ATOM 0 HG3 PRO A 10 -0.109 4.743 -9.998 1.00 75.21 H new ATOM 0 HD2 PRO A 10 -0.444 7.334 -10.555 1.00 24.41 H new ATOM 0 HD3 PRO A 10 0.699 6.386 -11.486 1.00 24.41 H new ATOM 163 N CYS A 11 -3.969 5.548 -11.887 1.00 30.11 N ATOM 164 CA CYS A 11 -5.410 5.532 -11.903 1.00 40.53 C ATOM 165 C CYS A 11 -5.924 6.964 -11.991 1.00 4.52 C ATOM 166 O CYS A 11 -5.207 7.898 -11.622 1.00 74.12 O ATOM 167 CB CYS A 11 -5.946 4.824 -10.653 1.00 41.32 C ATOM 168 SG CYS A 11 -7.741 4.529 -10.664 1.00 61.21 S ATOM 0 H CYS A 11 -3.555 5.745 -10.976 1.00 30.11 H new ATOM 0 HA CYS A 11 -5.764 4.979 -12.773 1.00 40.53 H new ATOM 0 HB2 CYS A 11 -5.434 3.868 -10.545 1.00 41.32 H new ATOM 0 HB3 CYS A 11 -5.694 5.421 -9.777 1.00 41.32 H new ATOM 173 N ARG A 12 -7.141 7.134 -12.467 1.00 24.41 N ATOM 174 CA ARG A 12 -7.713 8.460 -12.633 1.00 2.22 C ATOM 175 C ARG A 12 -8.587 8.842 -11.450 1.00 11.45 C ATOM 176 O ARG A 12 -8.242 9.726 -10.674 1.00 10.04 O ATOM 177 CB ARG A 12 -8.524 8.549 -13.930 1.00 50.32 C ATOM 178 CG ARG A 12 -7.716 8.420 -15.207 1.00 25.45 C ATOM 179 CD ARG A 12 -6.747 9.577 -15.355 1.00 45.25 C ATOM 180 NE ARG A 12 -6.006 9.513 -16.613 1.00 20.23 N ATOM 181 CZ ARG A 12 -5.332 10.534 -17.150 1.00 35.42 C ATOM 182 NH1 ARG A 12 -5.286 11.705 -16.531 1.00 31.43 N ATOM 183 NH2 ARG A 12 -4.713 10.379 -18.301 1.00 72.44 N ATOM 0 H ARG A 12 -7.756 6.370 -12.747 1.00 24.41 H new ATOM 0 HA ARG A 12 -6.883 9.164 -12.687 1.00 2.22 H new ATOM 0 HB2 ARG A 12 -9.284 7.767 -13.919 1.00 50.32 H new ATOM 0 HB3 ARG A 12 -9.049 9.504 -13.946 1.00 50.32 H new ATOM 0 HG2 ARG A 12 -7.166 7.479 -15.200 1.00 25.45 H new ATOM 0 HG3 ARG A 12 -8.387 8.391 -16.065 1.00 25.45 H new ATOM 0 HD2 ARG A 12 -7.295 10.518 -15.305 1.00 45.25 H new ATOM 0 HD3 ARG A 12 -6.046 9.572 -14.521 1.00 45.25 H new ATOM 0 HE ARG A 12 -6.003 8.626 -17.117 1.00 20.23 H new ATOM 0 HH11 ARG A 12 -5.767 11.830 -15.640 1.00 31.43 H new ATOM 0 HH12 ARG A 12 -4.770 12.481 -16.946 1.00 31.43 H new ATOM 0 HH21 ARG A 12 -4.748 9.480 -18.782 1.00 72.44 H new ATOM 0 HH22 ARG A 12 -4.198 11.158 -18.712 1.00 72.44 H new ATOM 197 N PHE A 13 -9.700 8.166 -11.314 1.00 70.15 N ATOM 198 CA PHE A 13 -10.653 8.465 -10.275 1.00 73.53 C ATOM 199 C PHE A 13 -10.652 7.374 -9.231 1.00 52.31 C ATOM 200 O PHE A 13 -10.185 6.267 -9.486 1.00 73.44 O ATOM 201 CB PHE A 13 -12.052 8.672 -10.866 1.00 74.42 C ATOM 202 CG PHE A 13 -12.111 9.800 -11.859 1.00 72.21 C ATOM 203 CD1 PHE A 13 -12.359 11.095 -11.442 1.00 53.02 C ATOM 204 CD2 PHE A 13 -11.902 9.565 -13.208 1.00 11.30 C ATOM 205 CE1 PHE A 13 -12.398 12.134 -12.349 1.00 62.33 C ATOM 206 CE2 PHE A 13 -11.942 10.599 -14.121 1.00 43.13 C ATOM 207 CZ PHE A 13 -12.189 11.886 -13.689 1.00 54.34 C ATOM 0 H PHE A 13 -9.971 7.392 -11.921 1.00 70.15 H new ATOM 0 HA PHE A 13 -10.359 9.395 -9.789 1.00 73.53 H new ATOM 0 HB2 PHE A 13 -12.375 7.751 -11.351 1.00 74.42 H new ATOM 0 HB3 PHE A 13 -12.756 8.870 -10.058 1.00 74.42 H new ATOM 0 HD1 PHE A 13 -12.524 11.295 -10.394 1.00 53.02 H new ATOM 0 HD2 PHE A 13 -11.705 8.560 -13.550 1.00 11.30 H new ATOM 0 HE1 PHE A 13 -12.592 13.141 -12.010 1.00 62.33 H new ATOM 0 HE2 PHE A 13 -11.780 10.402 -15.170 1.00 43.13 H new ATOM 0 HZ PHE A 13 -12.219 12.698 -14.400 1.00 54.34 H new ATOM 217 N PHE A 14 -11.155 7.690 -8.078 1.00 64.15 N ATOM 218 CA PHE A 14 -11.133 6.786 -6.958 1.00 44.31 C ATOM 219 C PHE A 14 -12.503 6.620 -6.300 1.00 74.14 C ATOM 220 O PHE A 14 -13.331 7.513 -6.350 1.00 1.40 O ATOM 221 CB PHE A 14 -10.072 7.245 -5.933 1.00 55.55 C ATOM 222 CG PHE A 14 -10.153 8.713 -5.548 1.00 24.22 C ATOM 223 CD1 PHE A 14 -11.186 9.194 -4.762 1.00 64.04 C ATOM 224 CD2 PHE A 14 -9.188 9.605 -5.989 1.00 35.23 C ATOM 225 CE1 PHE A 14 -11.257 10.529 -4.422 1.00 1.34 C ATOM 226 CE2 PHE A 14 -9.255 10.944 -5.651 1.00 32.32 C ATOM 227 CZ PHE A 14 -10.292 11.403 -4.866 1.00 73.32 C ATOM 0 H PHE A 14 -11.597 8.588 -7.881 1.00 64.15 H new ATOM 0 HA PHE A 14 -10.862 5.801 -7.339 1.00 44.31 H new ATOM 0 HB2 PHE A 14 -10.173 6.641 -5.031 1.00 55.55 H new ATOM 0 HB3 PHE A 14 -9.082 7.045 -6.342 1.00 55.55 H new ATOM 0 HD1 PHE A 14 -11.948 8.514 -4.410 1.00 64.04 H new ATOM 0 HD2 PHE A 14 -8.374 9.250 -6.604 1.00 35.23 H new ATOM 0 HE1 PHE A 14 -12.070 10.888 -3.808 1.00 1.34 H new ATOM 0 HE2 PHE A 14 -8.497 11.629 -6.001 1.00 32.32 H new ATOM 0 HZ PHE A 14 -10.346 12.448 -4.600 1.00 73.32 H new ATOM 237 N GLU A 15 -12.715 5.456 -5.732 1.00 73.00 N ATOM 238 CA GLU A 15 -13.878 5.101 -4.968 1.00 74.04 C ATOM 239 C GLU A 15 -13.743 5.650 -3.548 1.00 44.43 C ATOM 240 O GLU A 15 -12.771 5.352 -2.849 1.00 10.01 O ATOM 241 CB GLU A 15 -13.982 3.568 -4.880 1.00 31.21 C ATOM 242 CG GLU A 15 -14.531 2.829 -6.105 1.00 73.21 C ATOM 243 CD GLU A 15 -13.826 3.072 -7.453 1.00 62.04 C ATOM 244 OE1 GLU A 15 -12.624 2.762 -7.597 1.00 31.52 O ATOM 245 OE2 GLU A 15 -14.511 3.482 -8.409 1.00 1.35 O ATOM 0 H GLU A 15 -12.041 4.693 -5.797 1.00 73.00 H new ATOM 0 HA GLU A 15 -14.762 5.516 -5.452 1.00 74.04 H new ATOM 0 HB2 GLU A 15 -12.988 3.174 -4.666 1.00 31.21 H new ATOM 0 HB3 GLU A 15 -14.613 3.321 -4.026 1.00 31.21 H new ATOM 0 HG2 GLU A 15 -14.499 1.760 -5.896 1.00 73.21 H new ATOM 0 HG3 GLU A 15 -15.580 3.100 -6.220 1.00 73.21 H new ATOM 252 N SER A 16 -14.703 6.421 -3.113 1.00 3.22 N ATOM 253 CA SER A 16 -14.642 6.992 -1.777 1.00 13.32 C ATOM 254 C SER A 16 -15.625 6.293 -0.821 1.00 65.33 C ATOM 255 O SER A 16 -15.781 6.684 0.344 1.00 13.32 O ATOM 256 CB SER A 16 -14.887 8.487 -1.828 1.00 11.13 C ATOM 257 OG SER A 16 -13.964 9.123 -2.692 1.00 3.23 O ATOM 0 H SER A 16 -15.533 6.672 -3.651 1.00 3.22 H new ATOM 0 HA SER A 16 -13.639 6.826 -1.383 1.00 13.32 H new ATOM 0 HB2 SER A 16 -15.904 8.681 -2.170 1.00 11.13 H new ATOM 0 HB3 SER A 16 -14.802 8.907 -0.826 1.00 11.13 H new ATOM 0 HG SER A 16 -13.307 9.620 -2.161 1.00 3.23 H new ATOM 263 N HIS A 17 -16.283 5.271 -1.322 1.00 55.25 N ATOM 264 CA HIS A 17 -17.192 4.436 -0.537 1.00 33.05 C ATOM 265 C HIS A 17 -17.132 3.004 -0.992 1.00 74.43 C ATOM 266 O HIS A 17 -17.881 2.602 -1.862 1.00 11.14 O ATOM 267 CB HIS A 17 -18.653 4.908 -0.587 1.00 3.31 C ATOM 268 CG HIS A 17 -19.044 5.966 0.393 1.00 2.23 C ATOM 269 ND1 HIS A 17 -19.795 5.687 1.505 1.00 41.22 N ATOM 270 CD2 HIS A 17 -18.843 7.298 0.411 1.00 33.41 C ATOM 271 CE1 HIS A 17 -20.045 6.789 2.161 1.00 33.01 C ATOM 272 NE2 HIS A 17 -19.479 7.786 1.520 1.00 4.22 N ATOM 0 H HIS A 17 -16.207 4.985 -2.298 1.00 55.25 H new ATOM 0 HA HIS A 17 -16.849 4.524 0.494 1.00 33.05 H new ATOM 0 HB2 HIS A 17 -18.858 5.280 -1.591 1.00 3.31 H new ATOM 0 HB3 HIS A 17 -19.297 4.043 -0.430 1.00 3.31 H new ATOM 0 HD1 HIS A 17 -20.112 4.757 1.780 1.00 41.22 H new ATOM 0 HD2 HIS A 17 -18.285 7.873 -0.313 1.00 33.41 H new ATOM 0 HE1 HIS A 17 -20.618 6.867 3.073 1.00 33.01 H new ATOM 281 N VAL A 18 -16.246 2.241 -0.436 1.00 20.03 N ATOM 282 CA VAL A 18 -16.134 0.863 -0.825 1.00 34.22 C ATOM 283 C VAL A 18 -16.032 0.017 0.446 1.00 33.41 C ATOM 284 O VAL A 18 -15.620 0.529 1.505 1.00 42.45 O ATOM 285 CB VAL A 18 -14.909 0.630 -1.772 1.00 53.43 C ATOM 286 CG1 VAL A 18 -13.587 0.644 -1.045 1.00 71.51 C ATOM 287 CG2 VAL A 18 -15.087 -0.602 -2.647 1.00 4.33 C ATOM 0 H VAL A 18 -15.591 2.542 0.285 1.00 20.03 H new ATOM 0 HA VAL A 18 -17.016 0.568 -1.393 1.00 34.22 H new ATOM 0 HB VAL A 18 -14.879 1.487 -2.445 1.00 53.43 H new ATOM 0 HG11 VAL A 18 -12.779 0.477 -1.757 1.00 71.51 H new ATOM 0 HG12 VAL A 18 -13.449 1.610 -0.559 1.00 71.51 H new ATOM 0 HG13 VAL A 18 -13.577 -0.145 -0.293 1.00 71.51 H new ATOM 0 HG21 VAL A 18 -14.213 -0.723 -3.287 1.00 4.33 H new ATOM 0 HG22 VAL A 18 -15.200 -1.483 -2.016 1.00 4.33 H new ATOM 0 HG23 VAL A 18 -15.976 -0.483 -3.266 1.00 4.33 H new ATOM 297 N ALA A 19 -16.419 -1.235 0.361 1.00 63.24 N ATOM 298 CA ALA A 19 -16.442 -2.110 1.509 1.00 11.42 C ATOM 299 C ALA A 19 -15.044 -2.525 1.938 1.00 13.13 C ATOM 300 O ALA A 19 -14.298 -3.148 1.178 1.00 2.41 O ATOM 301 CB ALA A 19 -17.307 -3.328 1.239 1.00 52.40 C ATOM 0 H ALA A 19 -16.727 -1.675 -0.506 1.00 63.24 H new ATOM 0 HA ALA A 19 -16.879 -1.549 2.335 1.00 11.42 H new ATOM 0 HB1 ALA A 19 -17.310 -3.974 2.117 1.00 52.40 H new ATOM 0 HB2 ALA A 19 -18.326 -3.009 1.019 1.00 52.40 H new ATOM 0 HB3 ALA A 19 -16.907 -3.877 0.386 1.00 52.40 H new ATOM 307 N ARG A 20 -14.724 -2.201 3.172 1.00 71.20 N ATOM 308 CA ARG A 20 -13.440 -2.503 3.800 1.00 11.51 C ATOM 309 C ARG A 20 -13.369 -4.024 3.991 1.00 1.13 C ATOM 310 O ARG A 20 -12.303 -4.615 4.039 1.00 63.21 O ATOM 311 CB ARG A 20 -13.404 -1.741 5.157 1.00 13.11 C ATOM 312 CG ARG A 20 -12.064 -1.594 5.914 1.00 11.25 C ATOM 313 CD ARG A 20 -11.448 -2.866 6.451 1.00 72.00 C ATOM 314 NE ARG A 20 -10.258 -2.544 7.257 1.00 52.54 N ATOM 315 CZ ARG A 20 -9.599 -3.386 8.057 1.00 51.52 C ATOM 316 NH1 ARG A 20 -10.022 -4.636 8.221 1.00 65.21 N ATOM 317 NH2 ARG A 20 -8.535 -2.951 8.719 1.00 55.33 N ATOM 0 H ARG A 20 -15.365 -1.705 3.791 1.00 71.20 H new ATOM 0 HA ARG A 20 -12.584 -2.191 3.201 1.00 11.51 H new ATOM 0 HB2 ARG A 20 -13.789 -0.737 4.978 1.00 13.11 H new ATOM 0 HB3 ARG A 20 -14.105 -2.237 5.828 1.00 13.11 H new ATOM 0 HG2 ARG A 20 -11.344 -1.123 5.245 1.00 11.25 H new ATOM 0 HG3 ARG A 20 -12.217 -0.911 6.749 1.00 11.25 H new ATOM 0 HD2 ARG A 20 -12.175 -3.404 7.059 1.00 72.00 H new ATOM 0 HD3 ARG A 20 -11.173 -3.524 5.626 1.00 72.00 H new ATOM 0 HE ARG A 20 -9.904 -1.589 7.199 1.00 52.54 H new ATOM 0 HH11 ARG A 20 -10.857 -4.960 7.733 1.00 65.21 H new ATOM 0 HH12 ARG A 20 -9.511 -5.271 8.834 1.00 65.21 H new ATOM 0 HH21 ARG A 20 -8.229 -1.984 8.614 1.00 55.33 H new ATOM 0 HH22 ARG A 20 -8.023 -3.584 9.333 1.00 55.33 H new ATOM 331 N ALA A 21 -14.539 -4.636 4.082 1.00 25.21 N ATOM 332 CA ALA A 21 -14.661 -6.073 4.217 1.00 2.54 C ATOM 333 C ALA A 21 -14.574 -6.789 2.867 1.00 73.21 C ATOM 334 O ALA A 21 -14.455 -8.016 2.824 1.00 44.24 O ATOM 335 CB ALA A 21 -15.975 -6.426 4.889 1.00 44.13 C ATOM 0 H ALA A 21 -15.433 -4.145 4.064 1.00 25.21 H new ATOM 0 HA ALA A 21 -13.825 -6.409 4.831 1.00 2.54 H new ATOM 0 HB1 ALA A 21 -16.055 -7.509 4.985 1.00 44.13 H new ATOM 0 HB2 ALA A 21 -16.012 -5.970 5.879 1.00 44.13 H new ATOM 0 HB3 ALA A 21 -16.803 -6.053 4.287 1.00 44.13 H new ATOM 341 N ASN A 22 -14.645 -6.054 1.764 1.00 21.33 N ATOM 342 CA ASN A 22 -14.670 -6.718 0.458 1.00 64.33 C ATOM 343 C ASN A 22 -13.357 -6.491 -0.294 1.00 64.40 C ATOM 344 O ASN A 22 -13.094 -7.118 -1.327 1.00 42.25 O ATOM 345 CB ASN A 22 -15.870 -6.243 -0.374 1.00 51.33 C ATOM 346 CG ASN A 22 -16.152 -7.130 -1.582 1.00 23.41 C ATOM 347 OD1 ASN A 22 -15.910 -8.346 -1.552 1.00 11.41 O ATOM 348 ND2 ASN A 22 -16.670 -6.551 -2.632 1.00 22.43 N ATOM 0 H ASN A 22 -14.685 -5.035 1.739 1.00 21.33 H new ATOM 0 HA ASN A 22 -14.780 -7.789 0.625 1.00 64.33 H new ATOM 0 HB2 ASN A 22 -16.755 -6.213 0.261 1.00 51.33 H new ATOM 0 HB3 ASN A 22 -15.687 -5.224 -0.714 1.00 51.33 H new ATOM 0 HD21 ASN A 22 -16.889 -7.102 -3.462 1.00 22.43 H new ATOM 0 HD22 ASN A 22 -16.856 -5.548 -2.622 1.00 22.43 H new ATOM 355 N VAL A 23 -12.518 -5.622 0.241 1.00 52.51 N ATOM 356 CA VAL A 23 -11.219 -5.369 -0.349 1.00 32.24 C ATOM 357 C VAL A 23 -10.209 -6.279 0.309 1.00 32.51 C ATOM 358 O VAL A 23 -10.258 -6.514 1.511 1.00 62.44 O ATOM 359 CB VAL A 23 -10.755 -3.882 -0.197 1.00 5.53 C ATOM 360 CG1 VAL A 23 -11.670 -2.940 -0.955 1.00 12.44 C ATOM 361 CG2 VAL A 23 -10.688 -3.477 1.265 1.00 4.51 C ATOM 0 H VAL A 23 -12.714 -5.081 1.083 1.00 52.51 H new ATOM 0 HA VAL A 23 -11.297 -5.566 -1.418 1.00 32.24 H new ATOM 0 HB VAL A 23 -9.755 -3.809 -0.624 1.00 5.53 H new ATOM 0 HG11 VAL A 23 -11.321 -1.915 -0.830 1.00 12.44 H new ATOM 0 HG12 VAL A 23 -11.663 -3.199 -2.014 1.00 12.44 H new ATOM 0 HG13 VAL A 23 -12.685 -3.028 -0.567 1.00 12.44 H new ATOM 0 HG21 VAL A 23 -10.363 -2.439 1.341 1.00 4.51 H new ATOM 0 HG22 VAL A 23 -11.674 -3.582 1.717 1.00 4.51 H new ATOM 0 HG23 VAL A 23 -9.979 -4.118 1.788 1.00 4.51 H new ATOM 371 N LYS A 24 -9.329 -6.821 -0.479 1.00 44.53 N ATOM 372 CA LYS A 24 -8.394 -7.785 0.024 1.00 65.15 C ATOM 373 C LYS A 24 -7.070 -7.171 0.419 1.00 5.24 C ATOM 374 O LYS A 24 -6.444 -7.597 1.389 1.00 15.55 O ATOM 375 CB LYS A 24 -8.200 -8.876 -0.988 1.00 43.25 C ATOM 376 CG LYS A 24 -9.486 -9.588 -1.269 1.00 32.43 C ATOM 377 CD LYS A 24 -9.325 -10.738 -2.225 1.00 74.15 C ATOM 378 CE LYS A 24 -8.906 -10.299 -3.610 1.00 31.35 C ATOM 379 NZ LYS A 24 -8.793 -11.454 -4.510 1.00 2.25 N ATOM 0 H LYS A 24 -9.238 -6.613 -1.473 1.00 44.53 H new ATOM 0 HA LYS A 24 -8.816 -8.205 0.937 1.00 65.15 H new ATOM 0 HB2 LYS A 24 -7.806 -8.453 -1.912 1.00 43.25 H new ATOM 0 HB3 LYS A 24 -7.460 -9.587 -0.622 1.00 43.25 H new ATOM 0 HG2 LYS A 24 -9.902 -9.957 -0.332 1.00 32.43 H new ATOM 0 HG3 LYS A 24 -10.205 -8.879 -1.680 1.00 32.43 H new ATOM 0 HD2 LYS A 24 -8.583 -11.431 -1.829 1.00 74.15 H new ATOM 0 HD3 LYS A 24 -10.267 -11.283 -2.292 1.00 74.15 H new ATOM 0 HE2 LYS A 24 -9.634 -9.592 -4.008 1.00 31.35 H new ATOM 0 HE3 LYS A 24 -7.950 -9.778 -3.558 1.00 31.35 H new ATOM 0 HZ1 LYS A 24 -8.504 -11.131 -5.455 1.00 2.25 H new ATOM 0 HZ2 LYS A 24 -8.082 -12.115 -4.138 1.00 2.25 H new ATOM 0 HZ3 LYS A 24 -9.713 -11.935 -4.575 1.00 2.25 H new ATOM 393 N HIS A 25 -6.625 -6.192 -0.336 1.00 41.22 N ATOM 394 CA HIS A 25 -5.375 -5.515 -0.005 1.00 64.13 C ATOM 395 C HIS A 25 -5.380 -4.126 -0.565 1.00 33.34 C ATOM 396 O HIS A 25 -6.205 -3.813 -1.404 1.00 14.31 O ATOM 397 CB HIS A 25 -4.117 -6.275 -0.522 1.00 45.13 C ATOM 398 CG HIS A 25 -3.753 -6.143 -2.014 1.00 53.33 C ATOM 399 ND1 HIS A 25 -3.634 -7.211 -2.867 1.00 30.25 N ATOM 400 CD2 HIS A 25 -3.371 -5.059 -2.748 1.00 53.33 C ATOM 401 CE1 HIS A 25 -3.190 -6.783 -4.036 1.00 54.41 C ATOM 402 NE2 HIS A 25 -3.035 -5.493 -3.984 1.00 74.43 N ATOM 0 H HIS A 25 -7.095 -5.845 -1.172 1.00 41.22 H new ATOM 0 HA HIS A 25 -5.314 -5.487 1.083 1.00 64.13 H new ATOM 0 HB2 HIS A 25 -3.260 -5.938 0.062 1.00 45.13 H new ATOM 0 HB3 HIS A 25 -4.254 -7.334 -0.304 1.00 45.13 H new ATOM 0 HD2 HIS A 25 -3.342 -4.036 -2.403 1.00 53.33 H new ATOM 0 HE1 HIS A 25 -2.988 -7.405 -4.896 1.00 54.41 H new ATOM 0 HE2 HIS A 25 -2.712 -4.904 -4.751 1.00 74.43 H new ATOM 411 N LEU A 26 -4.410 -3.329 -0.159 1.00 35.35 N ATOM 412 CA LEU A 26 -4.265 -1.966 -0.657 1.00 64.14 C ATOM 413 C LEU A 26 -2.925 -1.835 -1.355 1.00 4.25 C ATOM 414 O LEU A 26 -1.967 -2.455 -0.950 1.00 34.21 O ATOM 415 CB LEU A 26 -4.359 -0.917 0.484 1.00 1.53 C ATOM 416 CG LEU A 26 -5.732 -0.687 1.176 1.00 74.21 C ATOM 417 CD1 LEU A 26 -6.247 -1.925 1.897 1.00 74.35 C ATOM 418 CD2 LEU A 26 -5.632 0.478 2.143 1.00 13.23 C ATOM 0 H LEU A 26 -3.701 -3.602 0.522 1.00 35.35 H new ATOM 0 HA LEU A 26 -5.082 -1.771 -1.352 1.00 64.14 H new ATOM 0 HB2 LEU A 26 -3.644 -1.203 1.255 1.00 1.53 H new ATOM 0 HB3 LEU A 26 -4.028 0.040 0.081 1.00 1.53 H new ATOM 0 HG LEU A 26 -6.453 -0.459 0.391 1.00 74.21 H new ATOM 0 HD11 LEU A 26 -7.208 -1.703 2.360 1.00 74.35 H new ATOM 0 HD12 LEU A 26 -6.368 -2.739 1.182 1.00 74.35 H new ATOM 0 HD13 LEU A 26 -5.534 -2.221 2.666 1.00 74.35 H new ATOM 0 HD21 LEU A 26 -6.597 0.635 2.625 1.00 13.23 H new ATOM 0 HD22 LEU A 26 -4.879 0.259 2.900 1.00 13.23 H new ATOM 0 HD23 LEU A 26 -5.348 1.379 1.599 1.00 13.23 H new ATOM 430 N LYS A 27 -2.862 -1.090 -2.417 1.00 3.01 N ATOM 431 CA LYS A 27 -1.607 -0.867 -3.108 1.00 31.04 C ATOM 432 C LYS A 27 -1.393 0.626 -3.329 1.00 42.24 C ATOM 433 O LYS A 27 -2.213 1.274 -3.954 1.00 31.55 O ATOM 434 CB LYS A 27 -1.575 -1.671 -4.415 1.00 54.31 C ATOM 435 CG LYS A 27 -0.352 -1.441 -5.280 1.00 2.23 C ATOM 436 CD LYS A 27 -0.318 -2.381 -6.486 1.00 75.25 C ATOM 437 CE LYS A 27 -1.605 -2.338 -7.274 1.00 51.24 C ATOM 438 NZ LYS A 27 -1.526 -3.107 -8.521 1.00 24.25 N ATOM 0 H LYS A 27 -3.665 -0.619 -2.834 1.00 3.01 H new ATOM 0 HA LYS A 27 -0.778 -1.222 -2.496 1.00 31.04 H new ATOM 0 HB2 LYS A 27 -1.635 -2.732 -4.173 1.00 54.31 H new ATOM 0 HB3 LYS A 27 -2.464 -1.426 -4.996 1.00 54.31 H new ATOM 0 HG2 LYS A 27 -0.342 -0.407 -5.626 1.00 2.23 H new ATOM 0 HG3 LYS A 27 0.548 -1.586 -4.682 1.00 2.23 H new ATOM 0 HD2 LYS A 27 0.514 -2.108 -7.135 1.00 75.25 H new ATOM 0 HD3 LYS A 27 -0.135 -3.400 -6.146 1.00 75.25 H new ATOM 0 HE2 LYS A 27 -2.416 -2.729 -6.660 1.00 51.24 H new ATOM 0 HE3 LYS A 27 -1.851 -1.302 -7.505 1.00 51.24 H new ATOM 0 HZ1 LYS A 27 -2.434 -3.046 -9.025 1.00 24.25 H new ATOM 0 HZ2 LYS A 27 -0.770 -2.719 -9.121 1.00 24.25 H new ATOM 0 HZ3 LYS A 27 -1.318 -4.102 -8.303 1.00 24.25 H new ATOM 452 N ILE A 28 -0.289 1.146 -2.820 1.00 34.40 N ATOM 453 CA ILE A 28 -0.028 2.577 -2.818 1.00 54.43 C ATOM 454 C ILE A 28 0.991 2.975 -3.884 1.00 44.24 C ATOM 455 O ILE A 28 2.140 2.459 -3.919 1.00 72.13 O ATOM 456 CB ILE A 28 0.535 3.054 -1.447 1.00 34.42 C ATOM 457 CG1 ILE A 28 -0.379 2.636 -0.291 1.00 11.32 C ATOM 458 CG2 ILE A 28 0.722 4.576 -1.446 1.00 31.22 C ATOM 459 CD1 ILE A 28 0.135 3.066 1.071 1.00 15.43 C ATOM 0 H ILE A 28 0.453 0.588 -2.396 1.00 34.40 H new ATOM 0 HA ILE A 28 -0.989 3.049 -3.023 1.00 54.43 H new ATOM 0 HB ILE A 28 1.504 2.575 -1.302 1.00 34.42 H new ATOM 0 HG12 ILE A 28 -1.370 3.063 -0.448 1.00 11.32 H new ATOM 0 HG13 ILE A 28 -0.494 1.552 -0.302 1.00 11.32 H new ATOM 0 HG21 ILE A 28 1.116 4.894 -0.481 1.00 31.22 H new ATOM 0 HG22 ILE A 28 1.421 4.857 -2.234 1.00 31.22 H new ATOM 0 HG23 ILE A 28 -0.238 5.061 -1.623 1.00 31.22 H new ATOM 0 HD11 ILE A 28 -0.561 2.737 1.843 1.00 15.43 H new ATOM 0 HD12 ILE A 28 1.113 2.618 1.249 1.00 15.43 H new ATOM 0 HD13 ILE A 28 0.223 4.152 1.100 1.00 15.43 H new ATOM 471 N LEU A 29 0.581 3.873 -4.737 1.00 71.35 N ATOM 472 CA LEU A 29 1.443 4.482 -5.702 1.00 60.44 C ATOM 473 C LEU A 29 1.468 5.991 -5.447 1.00 13.42 C ATOM 474 O LEU A 29 0.434 6.677 -5.539 1.00 1.50 O ATOM 475 CB LEU A 29 1.048 4.151 -7.175 1.00 13.41 C ATOM 476 CG LEU A 29 1.149 2.666 -7.617 1.00 74.20 C ATOM 477 CD1 LEU A 29 0.046 1.802 -7.024 1.00 33.54 C ATOM 478 CD2 LEU A 29 1.198 2.531 -9.129 1.00 3.31 C ATOM 0 H LEU A 29 -0.382 4.206 -4.778 1.00 71.35 H new ATOM 0 HA LEU A 29 2.444 4.067 -5.580 1.00 60.44 H new ATOM 0 HB2 LEU A 29 0.021 4.482 -7.333 1.00 13.41 H new ATOM 0 HB3 LEU A 29 1.679 4.745 -7.836 1.00 13.41 H new ATOM 0 HG LEU A 29 2.092 2.293 -7.217 1.00 74.20 H new ATOM 0 HD11 LEU A 29 0.165 0.774 -7.366 1.00 33.54 H new ATOM 0 HD12 LEU A 29 0.106 1.832 -5.936 1.00 33.54 H new ATOM 0 HD13 LEU A 29 -0.925 2.181 -7.344 1.00 33.54 H new ATOM 0 HD21 LEU A 29 1.269 1.477 -9.398 1.00 3.31 H new ATOM 0 HD22 LEU A 29 0.292 2.956 -9.562 1.00 3.31 H new ATOM 0 HD23 LEU A 29 2.068 3.063 -9.514 1.00 3.31 H new ATOM 490 N ASN A 30 2.637 6.499 -5.086 1.00 2.21 N ATOM 491 CA ASN A 30 2.788 7.913 -4.746 1.00 72.44 C ATOM 492 C ASN A 30 2.985 8.734 -5.982 1.00 30.11 C ATOM 493 O ASN A 30 4.040 8.662 -6.634 1.00 61.01 O ATOM 494 CB ASN A 30 3.966 8.148 -3.792 1.00 63.12 C ATOM 495 CG ASN A 30 4.127 9.612 -3.376 1.00 40.03 C ATOM 496 OD1 ASN A 30 3.556 10.049 -2.382 1.00 60.44 O ATOM 497 ND2 ASN A 30 4.900 10.369 -4.125 1.00 41.10 N ATOM 0 H ASN A 30 3.498 5.956 -5.020 1.00 2.21 H new ATOM 0 HA ASN A 30 1.871 8.219 -4.243 1.00 72.44 H new ATOM 0 HB2 ASN A 30 3.829 7.537 -2.900 1.00 63.12 H new ATOM 0 HB3 ASN A 30 4.885 7.811 -4.271 1.00 63.12 H new ATOM 0 HD21 ASN A 30 5.039 11.351 -3.885 1.00 41.10 H new ATOM 0 HD22 ASN A 30 5.360 9.974 -4.945 1.00 41.10 H new ATOM 504 N THR A 31 1.998 9.486 -6.306 1.00 1.43 N ATOM 505 CA THR A 31 2.022 10.333 -7.433 1.00 22.00 C ATOM 506 C THR A 31 2.423 11.761 -7.033 1.00 14.32 C ATOM 507 O THR A 31 1.947 12.289 -6.013 1.00 21.14 O ATOM 508 CB THR A 31 0.652 10.316 -8.084 1.00 74.23 C ATOM 509 OG1 THR A 31 -0.344 10.538 -7.067 1.00 31.33 O ATOM 510 CG2 THR A 31 0.407 8.977 -8.753 1.00 52.31 C ATOM 0 H THR A 31 1.127 9.528 -5.777 1.00 1.43 H new ATOM 0 HA THR A 31 2.766 9.975 -8.145 1.00 22.00 H new ATOM 0 HB THR A 31 0.597 11.098 -8.841 1.00 74.23 H new ATOM 0 HG1 THR A 31 -1.109 9.946 -7.223 1.00 31.33 H new ATOM 0 HG21 THR A 31 -0.579 8.977 -9.217 1.00 52.31 H new ATOM 0 HG22 THR A 31 1.167 8.807 -9.516 1.00 52.31 H new ATOM 0 HG23 THR A 31 0.458 8.183 -8.008 1.00 52.31 H new ATOM 518 N PRO A 32 3.328 12.385 -7.795 1.00 70.25 N ATOM 519 CA PRO A 32 3.793 13.745 -7.520 1.00 11.12 C ATOM 520 C PRO A 32 2.679 14.811 -7.554 1.00 63.53 C ATOM 521 O PRO A 32 2.471 15.526 -6.577 1.00 12.15 O ATOM 522 CB PRO A 32 4.810 14.018 -8.636 1.00 34.34 C ATOM 523 CG PRO A 32 5.220 12.675 -9.121 1.00 53.03 C ATOM 524 CD PRO A 32 4.016 11.800 -8.967 1.00 31.13 C ATOM 0 HA PRO A 32 4.199 13.810 -6.511 1.00 11.12 H new ATOM 0 HB2 PRO A 32 4.367 14.609 -9.438 1.00 34.34 H new ATOM 0 HB3 PRO A 32 5.665 14.580 -8.261 1.00 34.34 H new ATOM 0 HG2 PRO A 32 5.542 12.717 -10.161 1.00 53.03 H new ATOM 0 HG3 PRO A 32 6.060 12.290 -8.542 1.00 53.03 H new ATOM 0 HD2 PRO A 32 3.386 11.820 -9.856 1.00 31.13 H new ATOM 0 HD3 PRO A 32 4.292 10.760 -8.795 1.00 31.13 H new ATOM 532 N ASN A 33 1.956 14.892 -8.658 1.00 51.03 N ATOM 533 CA ASN A 33 0.958 15.961 -8.853 1.00 52.54 C ATOM 534 C ASN A 33 -0.484 15.432 -8.695 1.00 40.30 C ATOM 535 O ASN A 33 -1.464 16.071 -9.098 1.00 15.32 O ATOM 536 CB ASN A 33 1.155 16.615 -10.241 1.00 11.32 C ATOM 537 CG ASN A 33 0.322 17.884 -10.445 1.00 71.53 C ATOM 538 OD1 ASN A 33 0.045 18.631 -9.496 1.00 13.14 O ATOM 539 ND2 ASN A 33 -0.081 18.130 -11.663 1.00 63.32 N ATOM 0 H ASN A 33 2.032 14.239 -9.438 1.00 51.03 H new ATOM 0 HA ASN A 33 1.110 16.713 -8.079 1.00 52.54 H new ATOM 0 HB2 ASN A 33 2.209 16.858 -10.373 1.00 11.32 H new ATOM 0 HB3 ASN A 33 0.895 15.892 -11.014 1.00 11.32 H new ATOM 0 HD21 ASN A 33 -0.643 18.959 -11.857 1.00 63.32 H new ATOM 0 HD22 ASN A 33 0.166 17.493 -12.420 1.00 63.32 H new ATOM 546 N CYS A 34 -0.620 14.307 -8.074 1.00 35.43 N ATOM 547 CA CYS A 34 -1.927 13.733 -7.842 1.00 5.40 C ATOM 548 C CYS A 34 -2.100 13.473 -6.356 1.00 64.50 C ATOM 549 O CYS A 34 -1.098 13.468 -5.615 1.00 70.14 O ATOM 550 CB CYS A 34 -2.147 12.458 -8.689 1.00 22.01 C ATOM 551 SG CYS A 34 -2.118 12.737 -10.503 1.00 71.31 S ATOM 0 H CYS A 34 0.157 13.755 -7.711 1.00 35.43 H new ATOM 0 HA CYS A 34 -2.692 14.441 -8.162 1.00 5.40 H new ATOM 0 HB2 CYS A 34 -1.377 11.730 -8.434 1.00 22.01 H new ATOM 0 HB3 CYS A 34 -3.106 12.017 -8.417 1.00 22.01 H new ATOM 556 N ALA A 35 -3.360 13.322 -5.911 1.00 72.14 N ATOM 557 CA ALA A 35 -3.688 13.106 -4.495 1.00 42.44 C ATOM 558 C ALA A 35 -2.835 11.995 -3.905 1.00 10.11 C ATOM 559 O ALA A 35 -1.925 12.264 -3.157 1.00 10.10 O ATOM 560 CB ALA A 35 -5.175 12.803 -4.326 1.00 4.10 C ATOM 0 H ALA A 35 -4.176 13.347 -6.523 1.00 72.14 H new ATOM 0 HA ALA A 35 -3.466 14.023 -3.950 1.00 42.44 H new ATOM 0 HB1 ALA A 35 -5.397 12.646 -3.270 1.00 4.10 H new ATOM 0 HB2 ALA A 35 -5.762 13.642 -4.699 1.00 4.10 H new ATOM 0 HB3 ALA A 35 -5.429 11.904 -4.887 1.00 4.10 H new ATOM 566 N CYS A 36 -3.136 10.777 -4.270 1.00 33.34 N ATOM 567 CA CYS A 36 -2.378 9.587 -3.902 1.00 51.11 C ATOM 568 C CYS A 36 -3.162 8.434 -4.480 1.00 60.32 C ATOM 569 O CYS A 36 -4.391 8.480 -4.508 1.00 52.41 O ATOM 570 CB CYS A 36 -2.194 9.429 -2.345 1.00 4.34 C ATOM 571 SG CYS A 36 -1.044 8.105 -1.845 1.00 1.25 S ATOM 0 H CYS A 36 -3.945 10.567 -4.854 1.00 33.34 H new ATOM 0 HA CYS A 36 -1.361 9.640 -4.291 1.00 51.11 H new ATOM 0 HB2 CYS A 36 -1.837 10.375 -1.937 1.00 4.34 H new ATOM 0 HB3 CYS A 36 -3.168 9.235 -1.895 1.00 4.34 H new ATOM 576 N GLN A 37 -2.502 7.462 -4.999 1.00 11.03 N ATOM 577 CA GLN A 37 -3.187 6.372 -5.626 1.00 45.45 C ATOM 578 C GLN A 37 -3.102 5.097 -4.862 1.00 64.03 C ATOM 579 O GLN A 37 -2.103 4.394 -4.912 1.00 5.55 O ATOM 580 CB GLN A 37 -2.792 6.174 -7.110 1.00 30.13 C ATOM 581 CG GLN A 37 -3.605 7.009 -8.111 1.00 62.31 C ATOM 582 CD GLN A 37 -3.530 8.511 -7.916 1.00 45.14 C ATOM 583 OE1 GLN A 37 -2.528 9.059 -7.474 1.00 21.33 O ATOM 584 NE2 GLN A 37 -4.605 9.175 -8.229 1.00 2.11 N ATOM 0 H GLN A 37 -1.484 7.392 -5.006 1.00 11.03 H new ATOM 0 HA GLN A 37 -4.236 6.668 -5.616 1.00 45.45 H new ATOM 0 HB2 GLN A 37 -1.737 6.420 -7.226 1.00 30.13 H new ATOM 0 HB3 GLN A 37 -2.903 5.120 -7.363 1.00 30.13 H new ATOM 0 HG2 GLN A 37 -3.262 6.773 -9.118 1.00 62.31 H new ATOM 0 HG3 GLN A 37 -4.649 6.703 -8.050 1.00 62.31 H new ATOM 0 HE21 GLN A 37 -5.420 8.683 -8.595 1.00 2.11 H new ATOM 0 HE22 GLN A 37 -4.632 10.188 -8.109 1.00 2.11 H new ATOM 593 N ILE A 38 -4.141 4.815 -4.128 1.00 3.43 N ATOM 594 CA ILE A 38 -4.250 3.559 -3.468 1.00 44.34 C ATOM 595 C ILE A 38 -5.234 2.742 -4.251 1.00 52.32 C ATOM 596 O ILE A 38 -6.392 3.102 -4.374 1.00 53.15 O ATOM 597 CB ILE A 38 -4.727 3.685 -1.996 1.00 50.33 C ATOM 598 CG1 ILE A 38 -3.750 4.568 -1.197 1.00 60.11 C ATOM 599 CG2 ILE A 38 -4.855 2.300 -1.356 1.00 65.10 C ATOM 600 CD1 ILE A 38 -4.084 4.703 0.277 1.00 22.12 C ATOM 0 H ILE A 38 -4.926 5.448 -3.975 1.00 3.43 H new ATOM 0 HA ILE A 38 -3.265 3.094 -3.426 1.00 44.34 H new ATOM 0 HB ILE A 38 -5.709 4.157 -1.983 1.00 50.33 H new ATOM 0 HG12 ILE A 38 -2.746 4.155 -1.292 1.00 60.11 H new ATOM 0 HG13 ILE A 38 -3.730 5.562 -1.644 1.00 60.11 H new ATOM 0 HG21 ILE A 38 -5.190 2.406 -0.324 1.00 65.10 H new ATOM 0 HG22 ILE A 38 -5.579 1.707 -1.914 1.00 65.10 H new ATOM 0 HG23 ILE A 38 -3.886 1.800 -1.373 1.00 65.10 H new ATOM 0 HD11 ILE A 38 -3.344 5.341 0.761 1.00 22.12 H new ATOM 0 HD12 ILE A 38 -5.073 5.147 0.387 1.00 22.12 H new ATOM 0 HD13 ILE A 38 -4.074 3.718 0.744 1.00 22.12 H new ATOM 612 N VAL A 39 -4.772 1.679 -4.797 1.00 54.31 N ATOM 613 CA VAL A 39 -5.592 0.833 -5.608 1.00 45.30 C ATOM 614 C VAL A 39 -5.752 -0.498 -4.907 1.00 24.13 C ATOM 615 O VAL A 39 -4.769 -1.091 -4.453 1.00 4.01 O ATOM 616 CB VAL A 39 -4.979 0.644 -7.025 1.00 34.45 C ATOM 617 CG1 VAL A 39 -5.910 -0.161 -7.916 1.00 3.05 C ATOM 618 CG2 VAL A 39 -4.657 2.001 -7.666 1.00 70.41 C ATOM 0 H VAL A 39 -3.808 1.361 -4.698 1.00 54.31 H new ATOM 0 HA VAL A 39 -6.569 1.298 -5.743 1.00 45.30 H new ATOM 0 HB VAL A 39 -4.048 0.088 -6.916 1.00 34.45 H new ATOM 0 HG11 VAL A 39 -5.459 -0.279 -8.901 1.00 3.05 H new ATOM 0 HG12 VAL A 39 -6.078 -1.143 -7.474 1.00 3.05 H new ATOM 0 HG13 VAL A 39 -6.862 0.361 -8.013 1.00 3.05 H new ATOM 0 HG21 VAL A 39 -4.229 1.843 -8.656 1.00 70.41 H new ATOM 0 HG22 VAL A 39 -5.571 2.588 -7.755 1.00 70.41 H new ATOM 0 HG23 VAL A 39 -3.941 2.537 -7.043 1.00 70.41 H new ATOM 628 N ALA A 40 -6.956 -0.964 -4.805 1.00 24.51 N ATOM 629 CA ALA A 40 -7.233 -2.156 -4.063 1.00 72.32 C ATOM 630 C ALA A 40 -8.028 -3.144 -4.873 1.00 60.32 C ATOM 631 O ALA A 40 -8.881 -2.773 -5.681 1.00 22.51 O ATOM 632 CB ALA A 40 -7.987 -1.806 -2.802 1.00 53.10 C ATOM 0 H ALA A 40 -7.775 -0.531 -5.232 1.00 24.51 H new ATOM 0 HA ALA A 40 -6.281 -2.622 -3.810 1.00 72.32 H new ATOM 0 HB1 ALA A 40 -8.197 -2.716 -2.239 1.00 53.10 H new ATOM 0 HB2 ALA A 40 -7.384 -1.133 -2.193 1.00 53.10 H new ATOM 0 HB3 ALA A 40 -8.925 -1.317 -3.063 1.00 53.10 H new ATOM 638 N ARG A 41 -7.753 -4.398 -4.659 1.00 45.54 N ATOM 639 CA ARG A 41 -8.495 -5.431 -5.305 1.00 21.14 C ATOM 640 C ARG A 41 -9.567 -5.956 -4.401 1.00 54.03 C ATOM 641 O ARG A 41 -9.295 -6.319 -3.241 1.00 74.05 O ATOM 642 CB ARG A 41 -7.627 -6.607 -5.760 1.00 72.40 C ATOM 643 CG ARG A 41 -6.691 -6.343 -6.913 1.00 34.03 C ATOM 644 CD ARG A 41 -6.151 -7.665 -7.411 1.00 42.01 C ATOM 645 NE ARG A 41 -5.348 -7.552 -8.620 1.00 0.31 N ATOM 646 CZ ARG A 41 -5.567 -8.281 -9.735 1.00 73.55 C ATOM 647 NH1 ARG A 41 -6.622 -9.102 -9.812 1.00 45.44 N ATOM 648 NH2 ARG A 41 -4.747 -8.173 -10.771 1.00 5.31 N ATOM 0 H ARG A 41 -7.015 -4.727 -4.037 1.00 45.54 H new ATOM 0 HA ARG A 41 -8.929 -4.970 -6.192 1.00 21.14 H new ATOM 0 HB2 ARG A 41 -7.035 -6.944 -4.909 1.00 72.40 H new ATOM 0 HB3 ARG A 41 -8.285 -7.431 -6.036 1.00 72.40 H new ATOM 0 HG2 ARG A 41 -7.216 -5.823 -7.714 1.00 34.03 H new ATOM 0 HG3 ARG A 41 -5.873 -5.696 -6.595 1.00 34.03 H new ATOM 0 HD2 ARG A 41 -5.547 -8.119 -6.626 1.00 42.01 H new ATOM 0 HD3 ARG A 41 -6.986 -8.339 -7.602 1.00 42.01 H new ATOM 0 HE ARG A 41 -4.577 -6.885 -8.625 1.00 0.31 H new ATOM 0 HH11 ARG A 41 -7.266 -9.180 -9.025 1.00 45.44 H new ATOM 0 HH12 ARG A 41 -6.781 -9.650 -10.658 1.00 45.44 H new ATOM 0 HH21 ARG A 41 -3.950 -7.539 -10.726 1.00 5.31 H new ATOM 0 HH22 ARG A 41 -4.914 -8.724 -11.613 1.00 5.31 H new ATOM 662 N LEU A 42 -10.770 -5.965 -4.905 1.00 55.25 N ATOM 663 CA LEU A 42 -11.884 -6.586 -4.237 1.00 74.53 C ATOM 664 C LEU A 42 -11.775 -8.067 -4.440 1.00 64.34 C ATOM 665 O LEU A 42 -11.024 -8.534 -5.317 1.00 31.20 O ATOM 666 CB LEU A 42 -13.260 -6.115 -4.815 1.00 22.11 C ATOM 667 CG LEU A 42 -13.727 -4.664 -4.571 1.00 31.21 C ATOM 668 CD1 LEU A 42 -13.946 -4.392 -3.110 1.00 13.30 C ATOM 669 CD2 LEU A 42 -12.784 -3.656 -5.167 1.00 5.33 C ATOM 0 H LEU A 42 -11.009 -5.538 -5.800 1.00 55.25 H new ATOM 0 HA LEU A 42 -11.848 -6.308 -3.184 1.00 74.53 H new ATOM 0 HB2 LEU A 42 -13.233 -6.273 -5.893 1.00 22.11 H new ATOM 0 HB3 LEU A 42 -14.027 -6.777 -4.414 1.00 22.11 H new ATOM 0 HG LEU A 42 -14.684 -4.556 -5.081 1.00 31.21 H new ATOM 0 HD11 LEU A 42 -14.274 -3.361 -2.977 1.00 13.30 H new ATOM 0 HD12 LEU A 42 -14.709 -5.068 -2.724 1.00 13.30 H new ATOM 0 HD13 LEU A 42 -13.014 -4.549 -2.567 1.00 13.30 H new ATOM 0 HD21 LEU A 42 -13.154 -2.650 -4.970 1.00 5.33 H new ATOM 0 HD22 LEU A 42 -11.797 -3.773 -4.721 1.00 5.33 H new ATOM 0 HD23 LEU A 42 -12.716 -3.813 -6.244 1.00 5.33 H new ATOM 681 N LYS A 43 -12.478 -8.800 -3.638 1.00 21.45 N ATOM 682 CA LYS A 43 -12.603 -10.220 -3.788 1.00 0.12 C ATOM 683 C LYS A 43 -13.097 -10.577 -5.188 1.00 44.52 C ATOM 684 O LYS A 43 -13.849 -9.804 -5.811 1.00 22.12 O ATOM 685 CB LYS A 43 -13.532 -10.687 -2.724 1.00 4.43 C ATOM 686 CG LYS A 43 -12.906 -10.632 -1.360 1.00 34.40 C ATOM 687 CD LYS A 43 -13.900 -10.416 -0.236 1.00 24.44 C ATOM 688 CE LYS A 43 -15.075 -11.422 -0.190 1.00 25.53 C ATOM 689 NZ LYS A 43 -16.064 -11.264 -1.292 1.00 73.51 N ATOM 0 H LYS A 43 -12.993 -8.423 -2.843 1.00 21.45 H new ATOM 0 HA LYS A 43 -11.639 -10.716 -3.679 1.00 0.12 H new ATOM 0 HB2 LYS A 43 -14.432 -10.072 -2.734 1.00 4.43 H new ATOM 0 HB3 LYS A 43 -13.843 -11.710 -2.938 1.00 4.43 H new ATOM 0 HG2 LYS A 43 -12.366 -11.562 -1.181 1.00 34.40 H new ATOM 0 HG3 LYS A 43 -12.170 -9.828 -1.341 1.00 34.40 H new ATOM 0 HD2 LYS A 43 -13.366 -10.463 0.713 1.00 24.44 H new ATOM 0 HD3 LYS A 43 -14.308 -9.409 -0.323 1.00 24.44 H new ATOM 0 HE2 LYS A 43 -14.672 -12.434 -0.222 1.00 25.53 H new ATOM 0 HE3 LYS A 43 -15.592 -11.315 0.764 1.00 25.53 H new ATOM 0 HZ1 LYS A 43 -17.001 -11.577 -0.965 1.00 73.51 H new ATOM 0 HZ2 LYS A 43 -16.112 -10.264 -1.575 1.00 73.51 H new ATOM 0 HZ3 LYS A 43 -15.771 -11.840 -2.107 1.00 73.51 H new ATOM 745 N ARG A 47 -14.861 -6.081 -9.064 1.00 61.53 N ATOM 746 CA ARG A 47 -13.853 -5.344 -9.806 1.00 53.00 C ATOM 747 C ARG A 47 -12.657 -5.010 -8.932 1.00 71.35 C ATOM 748 O ARG A 47 -12.540 -5.475 -7.803 1.00 63.41 O ATOM 749 CB ARG A 47 -14.437 -4.038 -10.367 1.00 50.14 C ATOM 750 CG ARG A 47 -15.083 -3.147 -9.328 1.00 13.55 C ATOM 751 CD ARG A 47 -15.435 -1.793 -9.905 1.00 72.32 C ATOM 752 NE ARG A 47 -14.233 -0.965 -10.168 1.00 22.25 N ATOM 753 CZ ARG A 47 -14.127 0.360 -9.878 1.00 30.24 C ATOM 754 NH1 ARG A 47 -15.195 1.066 -9.516 1.00 51.25 N ATOM 755 NH2 ARG A 47 -12.964 0.969 -9.984 1.00 1.25 N ATOM 0 HA ARG A 47 -13.527 -5.984 -10.626 1.00 53.00 H new ATOM 0 HB2 ARG A 47 -13.641 -3.481 -10.862 1.00 50.14 H new ATOM 0 HB3 ARG A 47 -15.177 -4.283 -11.129 1.00 50.14 H new ATOM 0 HG2 ARG A 47 -15.984 -3.626 -8.945 1.00 13.55 H new ATOM 0 HG3 ARG A 47 -14.406 -3.020 -8.484 1.00 13.55 H new ATOM 0 HD2 ARG A 47 -15.990 -1.929 -10.833 1.00 72.32 H new ATOM 0 HD3 ARG A 47 -16.093 -1.266 -9.214 1.00 72.32 H new ATOM 0 HE ARG A 47 -13.428 -1.422 -10.597 1.00 22.25 H new ATOM 0 HH11 ARG A 47 -16.107 0.614 -9.453 1.00 51.25 H new ATOM 0 HH12 ARG A 47 -15.101 2.059 -9.301 1.00 51.25 H new ATOM 0 HH21 ARG A 47 -12.141 0.447 -10.284 1.00 1.25 H new ATOM 0 HH22 ARG A 47 -12.887 1.962 -9.766 1.00 1.25 H new ATOM 769 N GLN A 48 -11.764 -4.244 -9.476 1.00 43.02 N ATOM 770 CA GLN A 48 -10.663 -3.717 -8.741 1.00 34.25 C ATOM 771 C GLN A 48 -10.888 -2.216 -8.684 1.00 41.32 C ATOM 772 O GLN A 48 -11.211 -1.598 -9.709 1.00 60.03 O ATOM 773 CB GLN A 48 -9.293 -4.053 -9.402 1.00 3.21 C ATOM 774 CG GLN A 48 -8.968 -5.555 -9.563 1.00 21.33 C ATOM 775 CD GLN A 48 -9.842 -6.285 -10.579 1.00 53.34 C ATOM 776 OE1 GLN A 48 -10.310 -5.701 -11.552 1.00 10.33 O ATOM 777 NE2 GLN A 48 -10.055 -7.559 -10.359 1.00 41.24 N ATOM 0 H GLN A 48 -11.782 -3.965 -10.457 1.00 43.02 H new ATOM 0 HA GLN A 48 -10.617 -4.161 -7.746 1.00 34.25 H new ATOM 0 HB2 GLN A 48 -9.264 -3.588 -10.387 1.00 3.21 H new ATOM 0 HB3 GLN A 48 -8.503 -3.592 -8.809 1.00 3.21 H new ATOM 0 HG2 GLN A 48 -7.924 -5.658 -9.859 1.00 21.33 H new ATOM 0 HG3 GLN A 48 -9.074 -6.043 -8.594 1.00 21.33 H new ATOM 0 HE21 GLN A 48 -9.649 -8.010 -9.539 1.00 41.24 H new ATOM 0 HE22 GLN A 48 -10.627 -8.100 -11.008 1.00 41.24 H new ATOM 786 N VAL A 49 -10.763 -1.631 -7.527 1.00 11.12 N ATOM 787 CA VAL A 49 -11.087 -0.229 -7.376 1.00 4.43 C ATOM 788 C VAL A 49 -9.895 0.582 -6.942 1.00 15.31 C ATOM 789 O VAL A 49 -8.937 0.058 -6.370 1.00 64.14 O ATOM 790 CB VAL A 49 -12.274 0.042 -6.386 1.00 42.14 C ATOM 791 CG1 VAL A 49 -13.531 -0.706 -6.773 1.00 43.42 C ATOM 792 CG2 VAL A 49 -11.911 -0.207 -4.935 1.00 41.41 C ATOM 0 H VAL A 49 -10.442 -2.093 -6.676 1.00 11.12 H new ATOM 0 HA VAL A 49 -11.403 0.086 -8.371 1.00 4.43 H new ATOM 0 HB VAL A 49 -12.486 1.107 -6.476 1.00 42.14 H new ATOM 0 HG11 VAL A 49 -14.322 -0.484 -6.056 1.00 43.42 H new ATOM 0 HG12 VAL A 49 -13.847 -0.396 -7.769 1.00 43.42 H new ATOM 0 HG13 VAL A 49 -13.331 -1.778 -6.773 1.00 43.42 H new ATOM 0 HG21 VAL A 49 -12.775 -0.001 -4.303 1.00 41.41 H new ATOM 0 HG22 VAL A 49 -11.609 -1.247 -4.809 1.00 41.41 H new ATOM 0 HG23 VAL A 49 -11.088 0.448 -4.648 1.00 41.41 H new ATOM 802 N CYS A 50 -9.951 1.830 -7.215 1.00 23.23 N ATOM 803 CA CYS A 50 -8.959 2.737 -6.764 1.00 14.33 C ATOM 804 C CYS A 50 -9.624 3.439 -5.640 1.00 0.42 C ATOM 805 O CYS A 50 -10.687 3.905 -5.802 1.00 33.33 O ATOM 806 CB CYS A 50 -8.600 3.732 -7.869 1.00 30.42 C ATOM 807 SG CYS A 50 -7.982 2.959 -9.407 1.00 33.22 S ATOM 0 H CYS A 50 -10.695 2.259 -7.765 1.00 23.23 H new ATOM 0 HA CYS A 50 -8.030 2.245 -6.477 1.00 14.33 H new ATOM 0 HB2 CYS A 50 -9.481 4.329 -8.105 1.00 30.42 H new ATOM 0 HB3 CYS A 50 -7.842 4.418 -7.491 1.00 30.42 H new ATOM 812 N ILE A 51 -9.035 3.493 -4.513 1.00 34.54 N ATOM 813 CA ILE A 51 -9.737 4.017 -3.381 1.00 31.01 C ATOM 814 C ILE A 51 -9.232 5.382 -3.021 1.00 44.22 C ATOM 815 O ILE A 51 -8.053 5.690 -3.240 1.00 64.15 O ATOM 816 CB ILE A 51 -9.597 3.065 -2.169 1.00 71.20 C ATOM 817 CG1 ILE A 51 -10.054 1.679 -2.565 1.00 41.42 C ATOM 818 CG2 ILE A 51 -10.434 3.554 -0.996 1.00 21.01 C ATOM 819 CD1 ILE A 51 -9.931 0.675 -1.471 1.00 74.03 C ATOM 0 H ILE A 51 -8.078 3.188 -4.335 1.00 34.54 H new ATOM 0 HA ILE A 51 -10.791 4.098 -3.648 1.00 31.01 H new ATOM 0 HB ILE A 51 -8.551 3.043 -1.865 1.00 71.20 H new ATOM 0 HG12 ILE A 51 -11.094 1.727 -2.888 1.00 41.42 H new ATOM 0 HG13 ILE A 51 -9.470 1.344 -3.422 1.00 41.42 H new ATOM 0 HG21 ILE A 51 -10.319 2.869 -0.156 1.00 21.01 H new ATOM 0 HG22 ILE A 51 -10.100 4.549 -0.701 1.00 21.01 H new ATOM 0 HG23 ILE A 51 -11.483 3.595 -1.290 1.00 21.01 H new ATOM 0 HD11 ILE A 51 -10.277 -0.295 -1.827 1.00 74.03 H new ATOM 0 HD12 ILE A 51 -8.888 0.598 -1.163 1.00 74.03 H new ATOM 0 HD13 ILE A 51 -10.538 0.987 -0.621 1.00 74.03 H new ATOM 831 N ASP A 52 -10.154 6.210 -2.533 1.00 61.32 N ATOM 832 CA ASP A 52 -9.847 7.517 -2.003 1.00 12.04 C ATOM 833 C ASP A 52 -8.795 7.315 -0.932 1.00 62.22 C ATOM 834 O ASP A 52 -9.053 6.649 0.075 1.00 10.21 O ATOM 835 CB ASP A 52 -11.111 8.105 -1.358 1.00 23.13 C ATOM 836 CG ASP A 52 -10.991 9.564 -0.971 1.00 32.10 C ATOM 837 OD1 ASP A 52 -10.002 9.951 -0.305 1.00 60.24 O ATOM 838 OD2 ASP A 52 -11.883 10.353 -1.374 1.00 4.20 O ATOM 0 H ASP A 52 -11.147 5.979 -2.499 1.00 61.32 H new ATOM 0 HA ASP A 52 -9.496 8.192 -2.784 1.00 12.04 H new ATOM 0 HB2 ASP A 52 -11.945 7.992 -2.051 1.00 23.13 H new ATOM 0 HB3 ASP A 52 -11.355 7.524 -0.469 1.00 23.13 H new ATOM 843 N PRO A 53 -7.595 7.854 -1.128 1.00 45.13 N ATOM 844 CA PRO A 53 -6.484 7.627 -0.210 1.00 4.50 C ATOM 845 C PRO A 53 -6.650 8.355 1.106 1.00 70.21 C ATOM 846 O PRO A 53 -5.819 8.241 1.994 1.00 73.44 O ATOM 847 CB PRO A 53 -5.276 8.166 -0.970 1.00 50.44 C ATOM 848 CG PRO A 53 -5.827 9.181 -1.909 1.00 31.34 C ATOM 849 CD PRO A 53 -7.221 8.728 -2.255 1.00 20.31 C ATOM 0 HA PRO A 53 -6.400 6.575 0.064 1.00 4.50 H new ATOM 0 HB2 PRO A 53 -4.550 8.612 -0.290 1.00 50.44 H new ATOM 0 HB3 PRO A 53 -4.762 7.370 -1.508 1.00 50.44 H new ATOM 0 HG2 PRO A 53 -5.843 10.169 -1.448 1.00 31.34 H new ATOM 0 HG3 PRO A 53 -5.210 9.257 -2.804 1.00 31.34 H new ATOM 0 HD2 PRO A 53 -7.904 9.572 -2.351 1.00 20.31 H new ATOM 0 HD3 PRO A 53 -7.244 8.191 -3.203 1.00 20.31 H new ATOM 857 N LYS A 54 -7.714 9.111 1.218 1.00 62.35 N ATOM 858 CA LYS A 54 -7.975 9.864 2.383 1.00 73.24 C ATOM 859 C LYS A 54 -9.369 9.533 2.941 1.00 2.54 C ATOM 860 O LYS A 54 -9.944 10.290 3.741 1.00 71.11 O ATOM 861 CB LYS A 54 -7.799 11.333 2.053 1.00 63.42 C ATOM 862 CG LYS A 54 -6.383 11.640 1.551 1.00 41.41 C ATOM 863 CD LYS A 54 -6.150 13.101 1.238 1.00 42.24 C ATOM 864 CE LYS A 54 -7.034 13.605 0.121 1.00 13.13 C ATOM 865 NZ LYS A 54 -6.762 15.025 -0.190 1.00 74.23 N ATOM 0 H LYS A 54 -8.419 9.210 0.488 1.00 62.35 H new ATOM 0 HA LYS A 54 -7.270 9.608 3.174 1.00 73.24 H new ATOM 0 HB2 LYS A 54 -8.525 11.624 1.293 1.00 63.42 H new ATOM 0 HB3 LYS A 54 -8.008 11.932 2.939 1.00 63.42 H new ATOM 0 HG2 LYS A 54 -5.663 11.320 2.304 1.00 41.41 H new ATOM 0 HG3 LYS A 54 -6.190 11.051 0.655 1.00 41.41 H new ATOM 0 HD2 LYS A 54 -6.330 13.694 2.135 1.00 42.24 H new ATOM 0 HD3 LYS A 54 -5.105 13.248 0.964 1.00 42.24 H new ATOM 0 HE2 LYS A 54 -6.875 13.000 -0.771 1.00 13.13 H new ATOM 0 HE3 LYS A 54 -8.080 13.488 0.403 1.00 13.13 H new ATOM 0 HZ1 LYS A 54 -7.386 15.337 -0.961 1.00 74.23 H new ATOM 0 HZ2 LYS A 54 -6.938 15.605 0.655 1.00 74.23 H new ATOM 0 HZ3 LYS A 54 -5.770 15.132 -0.483 1.00 74.23 H new ATOM 879 N LEU A 55 -9.887 8.380 2.520 1.00 3.04 N ATOM 880 CA LEU A 55 -11.143 7.841 2.996 1.00 24.43 C ATOM 881 C LEU A 55 -10.932 7.445 4.474 1.00 65.15 C ATOM 882 O LEU A 55 -9.883 6.918 4.808 1.00 2.32 O ATOM 883 CB LEU A 55 -11.429 6.582 2.175 1.00 43.30 C ATOM 884 CG LEU A 55 -12.878 6.243 1.867 1.00 63.33 C ATOM 885 CD1 LEU A 55 -12.959 4.967 1.052 1.00 44.21 C ATOM 886 CD2 LEU A 55 -13.734 6.137 3.103 1.00 32.55 C ATOM 0 H LEU A 55 -9.430 7.789 1.825 1.00 3.04 H new ATOM 0 HA LEU A 55 -11.965 8.551 2.904 1.00 24.43 H new ATOM 0 HB2 LEU A 55 -10.899 6.675 1.227 1.00 43.30 H new ATOM 0 HB3 LEU A 55 -10.993 5.734 2.702 1.00 43.30 H new ATOM 0 HG LEU A 55 -13.278 7.072 1.283 1.00 63.33 H new ATOM 0 HD11 LEU A 55 -14.003 4.737 0.839 1.00 44.21 H new ATOM 0 HD12 LEU A 55 -12.418 5.099 0.115 1.00 44.21 H new ATOM 0 HD13 LEU A 55 -12.514 4.147 1.615 1.00 44.21 H new ATOM 0 HD21 LEU A 55 -14.757 5.893 2.817 1.00 32.55 H new ATOM 0 HD22 LEU A 55 -13.342 5.353 3.751 1.00 32.55 H new ATOM 0 HD23 LEU A 55 -13.723 7.088 3.636 1.00 32.55 H new ATOM 898 N LYS A 56 -11.932 7.672 5.337 1.00 33.12 N ATOM 899 CA LYS A 56 -11.781 7.434 6.783 1.00 10.51 C ATOM 900 C LYS A 56 -11.209 6.059 7.125 1.00 75.30 C ATOM 901 O LYS A 56 -10.237 5.980 7.856 1.00 5.33 O ATOM 902 CB LYS A 56 -13.074 7.630 7.547 1.00 32.44 C ATOM 903 CG LYS A 56 -12.845 7.607 9.047 1.00 22.02 C ATOM 904 CD LYS A 56 -14.120 7.633 9.836 1.00 52.54 C ATOM 905 CE LYS A 56 -14.899 6.348 9.660 1.00 43.15 C ATOM 906 NZ LYS A 56 -16.128 6.319 10.471 1.00 15.21 N ATOM 0 H LYS A 56 -12.851 8.019 5.062 1.00 33.12 H new ATOM 0 HA LYS A 56 -11.060 8.189 7.097 1.00 10.51 H new ATOM 0 HB2 LYS A 56 -13.525 8.580 7.262 1.00 32.44 H new ATOM 0 HB3 LYS A 56 -13.781 6.847 7.274 1.00 32.44 H new ATOM 0 HG2 LYS A 56 -12.281 6.712 9.309 1.00 22.02 H new ATOM 0 HG3 LYS A 56 -12.233 8.464 9.328 1.00 22.02 H new ATOM 0 HD2 LYS A 56 -13.894 7.783 10.892 1.00 52.54 H new ATOM 0 HD3 LYS A 56 -14.731 8.478 9.518 1.00 52.54 H new ATOM 0 HE2 LYS A 56 -15.158 6.225 8.608 1.00 43.15 H new ATOM 0 HE3 LYS A 56 -14.267 5.503 9.933 1.00 43.15 H new ATOM 0 HZ1 LYS A 56 -16.625 5.419 10.315 1.00 15.21 H new ATOM 0 HZ2 LYS A 56 -15.882 6.409 11.477 1.00 15.21 H new ATOM 0 HZ3 LYS A 56 -16.746 7.108 10.194 1.00 15.21 H new ATOM 920 N TRP A 57 -11.794 4.966 6.597 1.00 33.44 N ATOM 921 CA TRP A 57 -11.274 3.641 6.948 1.00 0.42 C ATOM 922 C TRP A 57 -9.853 3.430 6.457 1.00 21.25 C ATOM 923 O TRP A 57 -9.117 2.627 7.026 1.00 64.14 O ATOM 924 CB TRP A 57 -12.191 2.461 6.573 1.00 63.03 C ATOM 925 CG TRP A 57 -12.429 2.237 5.119 1.00 23.11 C ATOM 926 CD1 TRP A 57 -13.467 2.692 4.383 1.00 74.32 C ATOM 927 CD2 TRP A 57 -11.622 1.457 4.234 1.00 22.30 C ATOM 928 NE1 TRP A 57 -13.360 2.254 3.099 1.00 32.01 N ATOM 929 CE2 TRP A 57 -12.234 1.493 2.981 1.00 24.44 C ATOM 930 CE3 TRP A 57 -10.432 0.736 4.386 1.00 3.50 C ATOM 931 CZ2 TRP A 57 -11.714 0.833 1.885 1.00 1.22 C ATOM 932 CZ3 TRP A 57 -9.917 0.078 3.299 1.00 53.11 C ATOM 933 CH2 TRP A 57 -10.559 0.134 2.061 1.00 52.14 C ATOM 0 H TRP A 57 -12.588 4.974 5.957 1.00 33.44 H new ATOM 0 HA TRP A 57 -11.255 3.642 8.038 1.00 0.42 H new ATOM 0 HB2 TRP A 57 -11.763 1.550 6.992 1.00 63.03 H new ATOM 0 HB3 TRP A 57 -13.156 2.612 7.057 1.00 63.03 H new ATOM 0 HD1 TRP A 57 -14.266 3.313 4.759 1.00 74.32 H new ATOM 0 HE1 TRP A 57 -14.016 2.461 2.346 1.00 32.01 H new ATOM 0 HE3 TRP A 57 -9.929 0.699 5.341 1.00 3.50 H new ATOM 0 HZ2 TRP A 57 -12.205 0.870 0.924 1.00 1.22 H new ATOM 0 HZ3 TRP A 57 -9.004 -0.490 3.402 1.00 53.11 H new ATOM 0 HH2 TRP A 57 -10.128 -0.391 1.221 1.00 52.14 H new ATOM 944 N ILE A 58 -9.484 4.136 5.388 1.00 2.43 N ATOM 945 CA ILE A 58 -8.122 4.119 4.876 1.00 24.52 C ATOM 946 C ILE A 58 -7.204 4.747 5.919 1.00 12.03 C ATOM 947 O ILE A 58 -6.162 4.195 6.249 1.00 70.45 O ATOM 948 CB ILE A 58 -7.995 4.898 3.520 1.00 32.23 C ATOM 949 CG1 ILE A 58 -8.787 4.208 2.393 1.00 22.20 C ATOM 950 CG2 ILE A 58 -6.536 5.079 3.111 1.00 73.42 C ATOM 951 CD1 ILE A 58 -8.267 2.841 2.023 1.00 52.01 C ATOM 0 H ILE A 58 -10.120 4.731 4.858 1.00 2.43 H new ATOM 0 HA ILE A 58 -7.838 3.085 4.683 1.00 24.52 H new ATOM 0 HB ILE A 58 -8.427 5.886 3.682 1.00 32.23 H new ATOM 0 HG12 ILE A 58 -9.829 4.118 2.699 1.00 22.20 H new ATOM 0 HG13 ILE A 58 -8.768 4.844 1.508 1.00 22.20 H new ATOM 0 HG21 ILE A 58 -6.487 5.623 2.167 1.00 73.42 H new ATOM 0 HG22 ILE A 58 -6.009 5.642 3.882 1.00 73.42 H new ATOM 0 HG23 ILE A 58 -6.068 4.102 2.991 1.00 73.42 H new ATOM 0 HD11 ILE A 58 -8.878 2.423 1.223 1.00 52.01 H new ATOM 0 HD12 ILE A 58 -7.234 2.924 1.685 1.00 52.01 H new ATOM 0 HD13 ILE A 58 -8.312 2.187 2.894 1.00 52.01 H new ATOM 963 N GLN A 59 -7.621 5.895 6.444 1.00 5.12 N ATOM 964 CA GLN A 59 -6.882 6.597 7.493 1.00 11.41 C ATOM 965 C GLN A 59 -6.722 5.682 8.689 1.00 64.33 C ATOM 966 O GLN A 59 -5.618 5.471 9.178 1.00 70.30 O ATOM 967 CB GLN A 59 -7.632 7.859 7.940 1.00 22.51 C ATOM 968 CG GLN A 59 -8.202 8.681 6.804 1.00 12.31 C ATOM 969 CD GLN A 59 -7.215 8.924 5.709 1.00 62.34 C ATOM 970 OE1 GLN A 59 -7.121 8.161 4.777 1.00 63.34 O ATOM 971 NE2 GLN A 59 -6.478 9.945 5.816 1.00 12.13 N ATOM 0 H GLN A 59 -8.479 6.366 6.156 1.00 5.12 H new ATOM 0 HA GLN A 59 -5.909 6.884 7.094 1.00 11.41 H new ATOM 0 HB2 GLN A 59 -8.445 7.568 8.605 1.00 22.51 H new ATOM 0 HB3 GLN A 59 -6.953 8.484 8.520 1.00 22.51 H new ATOM 0 HG2 GLN A 59 -9.073 8.170 6.394 1.00 12.31 H new ATOM 0 HG3 GLN A 59 -8.548 9.639 7.193 1.00 12.31 H new ATOM 0 HE21 GLN A 59 -6.584 10.569 6.616 1.00 12.13 H new ATOM 0 HE22 GLN A 59 -5.777 10.145 5.102 1.00 12.13 H new ATOM 980 N GLU A 60 -7.847 5.105 9.118 1.00 12.41 N ATOM 981 CA GLU A 60 -7.903 4.172 10.233 1.00 44.24 C ATOM 982 C GLU A 60 -6.964 2.991 9.982 1.00 13.11 C ATOM 983 O GLU A 60 -6.381 2.438 10.909 1.00 42.55 O ATOM 984 CB GLU A 60 -9.330 3.625 10.356 1.00 41.41 C ATOM 985 CG GLU A 60 -10.424 4.666 10.565 1.00 5.04 C ATOM 986 CD GLU A 60 -10.376 5.340 11.903 1.00 14.53 C ATOM 987 OE1 GLU A 60 -9.607 6.299 12.086 1.00 33.33 O ATOM 988 OE2 GLU A 60 -11.125 4.916 12.797 1.00 14.01 O ATOM 0 H GLU A 60 -8.756 5.279 8.690 1.00 12.41 H new ATOM 0 HA GLU A 60 -7.605 4.694 11.143 1.00 44.24 H new ATOM 0 HB2 GLU A 60 -9.561 3.059 9.454 1.00 41.41 H new ATOM 0 HB3 GLU A 60 -9.359 2.923 11.189 1.00 41.41 H new ATOM 0 HG2 GLU A 60 -10.345 5.423 9.785 1.00 5.04 H new ATOM 0 HG3 GLU A 60 -11.395 4.186 10.446 1.00 5.04 H new ATOM 995 N TYR A 61 -6.844 2.614 8.728 1.00 73.44 N ATOM 996 CA TYR A 61 -6.028 1.496 8.303 1.00 53.03 C ATOM 997 C TYR A 61 -4.546 1.878 8.392 1.00 51.01 C ATOM 998 O TYR A 61 -3.764 1.196 9.052 1.00 12.00 O ATOM 999 CB TYR A 61 -6.414 1.135 6.855 1.00 20.13 C ATOM 1000 CG TYR A 61 -5.799 -0.117 6.274 1.00 74.43 C ATOM 1001 CD1 TYR A 61 -4.542 -0.096 5.690 1.00 34.32 C ATOM 1002 CD2 TYR A 61 -6.499 -1.319 6.284 1.00 11.13 C ATOM 1003 CE1 TYR A 61 -4.000 -1.229 5.133 1.00 35.44 C ATOM 1004 CE2 TYR A 61 -5.964 -2.463 5.735 1.00 0.40 C ATOM 1005 CZ TYR A 61 -4.707 -2.410 5.155 1.00 11.25 C ATOM 1006 OH TYR A 61 -4.157 -3.537 4.594 1.00 14.41 O ATOM 0 H TYR A 61 -7.320 3.085 7.959 1.00 73.44 H new ATOM 0 HA TYR A 61 -6.195 0.633 8.947 1.00 53.03 H new ATOM 0 HB2 TYR A 61 -7.498 1.033 6.809 1.00 20.13 H new ATOM 0 HB3 TYR A 61 -6.145 1.974 6.213 1.00 20.13 H new ATOM 0 HD1 TYR A 61 -3.980 0.826 5.673 1.00 34.32 H new ATOM 0 HD2 TYR A 61 -7.481 -1.356 6.731 1.00 11.13 H new ATOM 0 HE1 TYR A 61 -3.021 -1.193 4.679 1.00 35.44 H new ATOM 0 HE2 TYR A 61 -6.518 -3.390 5.756 1.00 0.40 H new ATOM 0 HH TYR A 61 -3.567 -3.280 3.855 1.00 14.41 H new ATOM 1016 N LEU A 62 -4.192 2.985 7.756 1.00 11.24 N ATOM 1017 CA LEU A 62 -2.812 3.470 7.702 1.00 34.21 C ATOM 1018 C LEU A 62 -2.300 3.811 9.089 1.00 52.32 C ATOM 1019 O LEU A 62 -1.207 3.386 9.472 1.00 75.51 O ATOM 1020 CB LEU A 62 -2.711 4.698 6.797 1.00 44.52 C ATOM 1021 CG LEU A 62 -3.177 4.514 5.353 1.00 0.35 C ATOM 1022 CD1 LEU A 62 -3.078 5.826 4.579 1.00 55.13 C ATOM 1023 CD2 LEU A 62 -2.389 3.414 4.651 1.00 5.21 C ATOM 0 H LEU A 62 -4.855 3.579 7.258 1.00 11.24 H new ATOM 0 HA LEU A 62 -2.194 2.672 7.291 1.00 34.21 H new ATOM 0 HB2 LEU A 62 -3.294 5.502 7.245 1.00 44.52 H new ATOM 0 HB3 LEU A 62 -1.672 5.028 6.782 1.00 44.52 H new ATOM 0 HG LEU A 62 -4.223 4.209 5.380 1.00 0.35 H new ATOM 0 HD11 LEU A 62 -3.415 5.670 3.554 1.00 55.13 H new ATOM 0 HD12 LEU A 62 -3.705 6.579 5.057 1.00 55.13 H new ATOM 0 HD13 LEU A 62 -2.043 6.167 4.573 1.00 55.13 H new ATOM 0 HD21 LEU A 62 -2.745 3.309 3.626 1.00 5.21 H new ATOM 0 HD22 LEU A 62 -1.330 3.674 4.642 1.00 5.21 H new ATOM 0 HD23 LEU A 62 -2.527 2.472 5.182 1.00 5.21 H new ATOM 1035 N GLU A 63 -3.100 4.570 9.840 1.00 71.25 N ATOM 1036 CA GLU A 63 -2.757 4.939 11.217 1.00 65.31 C ATOM 1037 C GLU A 63 -2.415 3.726 12.090 1.00 25.24 C ATOM 1038 O GLU A 63 -1.412 3.745 12.809 1.00 15.02 O ATOM 1039 CB GLU A 63 -3.871 5.750 11.878 1.00 31.24 C ATOM 1040 CG GLU A 63 -4.057 7.153 11.327 1.00 62.05 C ATOM 1041 CD GLU A 63 -5.144 7.894 12.058 1.00 5.25 C ATOM 1042 OE1 GLU A 63 -4.861 8.521 13.106 1.00 1.44 O ATOM 1043 OE2 GLU A 63 -6.291 7.839 11.635 1.00 72.32 O ATOM 0 H GLU A 63 -3.993 4.943 9.518 1.00 71.25 H new ATOM 0 HA GLU A 63 -1.863 5.558 11.141 1.00 65.31 H new ATOM 0 HB2 GLU A 63 -4.809 5.206 11.770 1.00 31.24 H new ATOM 0 HB3 GLU A 63 -3.664 5.820 12.946 1.00 31.24 H new ATOM 0 HG2 GLU A 63 -3.120 7.704 11.410 1.00 62.05 H new ATOM 0 HG3 GLU A 63 -4.302 7.099 10.266 1.00 62.05 H new ATOM 1050 N LYS A 64 -3.225 2.671 12.035 1.00 33.13 N ATOM 1051 CA LYS A 64 -2.931 1.510 12.840 1.00 73.00 C ATOM 1052 C LYS A 64 -1.800 0.677 12.269 1.00 21.32 C ATOM 1053 O LYS A 64 -0.995 0.162 13.019 1.00 74.12 O ATOM 1054 CB LYS A 64 -4.144 0.661 13.142 1.00 65.20 C ATOM 1055 CG LYS A 64 -4.854 0.077 11.965 1.00 51.11 C ATOM 1056 CD LYS A 64 -5.854 -0.919 12.444 1.00 63.31 C ATOM 1057 CE LYS A 64 -6.928 -0.305 13.344 1.00 1.34 C ATOM 1058 NZ LYS A 64 -7.749 0.736 12.672 1.00 63.33 N ATOM 0 H LYS A 64 -4.063 2.604 11.457 1.00 33.13 H new ATOM 0 HA LYS A 64 -2.592 1.909 13.796 1.00 73.00 H new ATOM 0 HB2 LYS A 64 -3.836 -0.156 13.795 1.00 65.20 H new ATOM 0 HB3 LYS A 64 -4.855 1.267 13.704 1.00 65.20 H new ATOM 0 HG2 LYS A 64 -5.350 0.864 11.396 1.00 51.11 H new ATOM 0 HG3 LYS A 64 -4.140 -0.400 11.294 1.00 51.11 H new ATOM 0 HD2 LYS A 64 -6.333 -1.387 11.584 1.00 63.31 H new ATOM 0 HD3 LYS A 64 -5.338 -1.709 12.990 1.00 63.31 H new ATOM 0 HE2 LYS A 64 -7.585 -1.097 13.703 1.00 1.34 H new ATOM 0 HE3 LYS A 64 -6.449 0.133 14.220 1.00 1.34 H new ATOM 0 HZ1 LYS A 64 -8.324 1.236 13.380 1.00 63.33 H new ATOM 0 HZ2 LYS A 64 -7.124 1.415 12.192 1.00 63.33 H new ATOM 0 HZ3 LYS A 64 -8.375 0.287 11.973 1.00 63.33 H new ATOM 1072 N CYS A 65 -1.751 0.563 10.941 1.00 5.41 N ATOM 1073 CA CYS A 65 -0.699 -0.176 10.221 1.00 23.24 C ATOM 1074 C CYS A 65 0.698 0.365 10.555 1.00 72.12 C ATOM 1075 O CYS A 65 1.622 -0.411 10.785 1.00 44.05 O ATOM 1076 CB CYS A 65 -0.947 -0.113 8.694 1.00 2.20 C ATOM 1077 SG CYS A 65 0.262 -1.025 7.663 1.00 44.02 S ATOM 0 H CYS A 65 -2.445 0.984 10.324 1.00 5.41 H new ATOM 0 HA CYS A 65 -0.741 -1.215 10.546 1.00 23.24 H new ATOM 0 HB2 CYS A 65 -1.943 -0.505 8.488 1.00 2.20 H new ATOM 0 HB3 CYS A 65 -0.946 0.933 8.386 1.00 2.20 H new ATOM 1082 N LEU A 66 0.811 1.704 10.623 1.00 71.14 N ATOM 1083 CA LEU A 66 2.061 2.426 10.899 1.00 31.02 C ATOM 1084 C LEU A 66 2.768 1.829 12.152 1.00 62.23 C ATOM 1085 O LEU A 66 3.965 1.579 12.144 1.00 64.04 O ATOM 1086 CB LEU A 66 1.698 3.929 11.130 1.00 60.44 C ATOM 1087 CG LEU A 66 2.788 5.008 10.894 1.00 74.13 C ATOM 1088 CD1 LEU A 66 4.003 4.811 11.750 1.00 72.25 C ATOM 1089 CD2 LEU A 66 3.171 5.052 9.437 1.00 42.52 C ATOM 0 H LEU A 66 0.015 2.326 10.484 1.00 71.14 H new ATOM 0 HA LEU A 66 2.751 2.331 10.060 1.00 31.02 H new ATOM 0 HB2 LEU A 66 0.853 4.167 10.484 1.00 60.44 H new ATOM 0 HB3 LEU A 66 1.351 4.030 12.158 1.00 60.44 H new ATOM 0 HG LEU A 66 2.354 5.964 11.186 1.00 74.13 H new ATOM 0 HD11 LEU A 66 4.728 5.597 11.539 1.00 72.25 H new ATOM 0 HD12 LEU A 66 3.718 4.853 12.801 1.00 72.25 H new ATOM 0 HD13 LEU A 66 4.447 3.839 11.533 1.00 72.25 H new ATOM 0 HD21 LEU A 66 3.936 5.813 9.285 1.00 42.52 H new ATOM 0 HD22 LEU A 66 3.560 4.080 9.134 1.00 42.52 H new ATOM 0 HD23 LEU A 66 2.294 5.295 8.837 1.00 42.52 H new ATOM 1101 N ASN A 67 2.007 1.596 13.201 1.00 61.02 N ATOM 1102 CA ASN A 67 2.556 1.024 14.433 1.00 31.31 C ATOM 1103 C ASN A 67 1.996 -0.341 14.716 1.00 42.12 C ATOM 1104 O ASN A 67 1.987 -0.791 15.870 1.00 74.33 O ATOM 1105 CB ASN A 67 2.276 1.909 15.639 1.00 23.33 C ATOM 1106 CG ASN A 67 3.138 3.131 15.685 1.00 24.40 C ATOM 1107 OD1 ASN A 67 3.484 3.727 14.681 1.00 63.54 O ATOM 1108 ND2 ASN A 67 3.538 3.485 16.845 1.00 54.22 N ATOM 0 H ASN A 67 1.006 1.790 13.235 1.00 61.02 H new ATOM 0 HA ASN A 67 3.631 0.951 14.271 1.00 31.31 H new ATOM 0 HB2 ASN A 67 1.229 2.211 15.625 1.00 23.33 H new ATOM 0 HB3 ASN A 67 2.428 1.330 16.550 1.00 23.33 H new ATOM 0 HD21 ASN A 67 4.163 4.285 16.947 1.00 54.22 H new ATOM 0 HD22 ASN A 67 3.233 2.968 17.670 1.00 54.22 H new ATOM 1404 N GLY B 119 -13.946 6.097 -11.763 1.00 23.32 N ATOM 1405 CA GLY B 119 -14.327 5.867 -10.397 1.00 3.13 C ATOM 1406 C GLY B 119 -15.803 5.982 -10.180 1.00 52.32 C ATOM 1407 O GLY B 119 -16.510 6.638 -10.959 1.00 43.14 O ATOM 0 HA2 GLY B 119 -13.996 4.873 -10.095 1.00 3.13 H new ATOM 0 HA3 GLY B 119 -13.813 6.583 -9.756 1.00 3.13 H new ATOM 1411 N ASP B 120 -16.273 5.339 -9.158 1.00 65.33 N ATOM 1412 CA ASP B 120 -17.661 5.375 -8.773 1.00 71.04 C ATOM 1413 C ASP B 120 -17.702 5.119 -7.259 1.00 30.31 C ATOM 1414 O ASP B 120 -16.669 5.258 -6.602 1.00 10.23 O ATOM 1415 CB ASP B 120 -18.423 4.294 -9.531 1.00 31.15 C ATOM 1416 CG ASP B 120 -19.929 4.459 -9.480 1.00 43.31 C ATOM 1417 OD1 ASP B 120 -20.484 5.178 -10.341 1.00 12.01 O ATOM 1418 OD2 ASP B 120 -20.579 3.876 -8.593 1.00 43.11 O ATOM 0 H ASP B 120 -15.695 4.759 -8.550 1.00 65.33 H new ATOM 0 HA ASP B 120 -18.125 6.333 -9.008 1.00 71.04 H new ATOM 0 HB2 ASP B 120 -18.101 4.298 -10.572 1.00 31.15 H new ATOM 0 HB3 ASP B 120 -18.159 3.320 -9.119 1.00 31.15 H new ATOM 1447 N ASP B 122 -19.535 6.889 -4.843 1.00 35.25 N ATOM 1448 CA ASP B 122 -19.373 8.301 -4.379 1.00 23.23 C ATOM 1449 C ASP B 122 -18.266 8.928 -5.136 1.00 53.03 C ATOM 1450 O ASP B 122 -18.464 9.887 -5.890 1.00 20.21 O ATOM 1451 CB ASP B 122 -19.084 8.393 -2.915 1.00 45.01 C ATOM 1452 CG ASP B 122 -19.051 9.821 -2.417 1.00 11.04 C ATOM 1453 OD1 ASP B 122 -18.011 10.478 -2.548 1.00 60.24 O ATOM 1454 OD2 ASP B 122 -20.082 10.296 -1.889 1.00 71.34 O ATOM 0 HA ASP B 122 -20.315 8.820 -4.557 1.00 23.23 H new ATOM 0 HB2 ASP B 122 -19.842 7.837 -2.363 1.00 45.01 H new ATOM 0 HB3 ASP B 122 -18.126 7.917 -2.707 1.00 45.01 H new ATOM 1459 N SER B 123 -17.096 8.384 -4.898 1.00 62.11 N ATOM 1460 CA SER B 123 -15.943 8.641 -5.654 1.00 11.34 C ATOM 1461 C SER B 123 -15.362 10.089 -5.483 1.00 72.12 C ATOM 1462 O SER B 123 -14.540 10.540 -6.302 1.00 34.51 O ATOM 1463 CB SER B 123 -16.295 8.262 -7.103 1.00 1.32 C ATOM 1464 OG SER B 123 -15.223 8.424 -8.016 1.00 43.32 O ATOM 0 H SER B 123 -16.939 7.726 -4.135 1.00 62.11 H new ATOM 0 HA SER B 123 -15.110 8.037 -5.294 1.00 11.34 H new ATOM 0 HB2 SER B 123 -16.625 7.224 -7.126 1.00 1.32 H new ATOM 0 HB3 SER B 123 -17.136 8.872 -7.433 1.00 1.32 H new ATOM 0 HG SER B 123 -14.401 8.064 -7.622 1.00 43.32 H new ATOM 1470 N MET B 124 -15.751 10.805 -4.413 1.00 23.33 N ATOM 1471 CA MET B 124 -15.171 12.133 -4.163 1.00 14.21 C ATOM 1472 C MET B 124 -15.291 12.570 -2.693 1.00 64.13 C ATOM 1473 O MET B 124 -16.327 13.095 -2.270 1.00 60.12 O ATOM 1474 CB MET B 124 -15.775 13.200 -5.090 1.00 51.53 C ATOM 1475 CG MET B 124 -15.204 14.595 -4.899 1.00 0.13 C ATOM 1476 SD MET B 124 -15.998 15.839 -5.950 1.00 42.33 S ATOM 1477 CE MET B 124 -15.643 15.203 -7.589 1.00 52.35 C ATOM 0 H MET B 124 -16.442 10.498 -3.728 1.00 23.33 H new ATOM 0 HA MET B 124 -14.108 12.041 -4.387 1.00 14.21 H new ATOM 0 HB2 MET B 124 -15.618 12.895 -6.125 1.00 51.53 H new ATOM 0 HB3 MET B 124 -16.852 13.236 -4.928 1.00 51.53 H new ATOM 0 HG2 MET B 124 -15.315 14.886 -3.855 1.00 0.13 H new ATOM 0 HG3 MET B 124 -14.135 14.576 -5.113 1.00 0.13 H new ATOM 0 HE1 MET B 124 -15.829 15.981 -8.329 1.00 52.35 H new ATOM 0 HE2 MET B 124 -14.599 14.894 -7.641 1.00 52.35 H new ATOM 0 HE3 MET B 124 -16.285 14.347 -7.794 1.00 52.35 H new ATOM 1487 N LYS B 125 -14.246 12.326 -1.918 1.00 4.15 N ATOM 1488 CA LYS B 125 -14.167 12.749 -0.525 1.00 64.31 C ATOM 1489 C LYS B 125 -12.745 13.248 -0.247 1.00 12.30 C ATOM 1490 O LYS B 125 -11.991 13.536 -1.191 1.00 42.21 O ATOM 1491 CB LYS B 125 -14.476 11.568 0.423 1.00 72.31 C ATOM 1492 CG LYS B 125 -15.871 11.004 0.358 1.00 10.42 C ATOM 1493 CD LYS B 125 -16.914 11.995 0.814 1.00 60.32 C ATOM 1494 CE LYS B 125 -18.256 11.334 0.780 1.00 60.51 C ATOM 1495 NZ LYS B 125 -19.359 12.215 1.223 1.00 22.44 N ATOM 0 H LYS B 125 -13.419 11.823 -2.240 1.00 4.15 H new ATOM 0 HA LYS B 125 -14.898 13.539 -0.351 1.00 64.31 H new ATOM 0 HB2 LYS B 125 -13.772 10.764 0.208 1.00 72.31 H new ATOM 0 HB3 LYS B 125 -14.286 11.893 1.446 1.00 72.31 H new ATOM 0 HG2 LYS B 125 -16.088 10.697 -0.665 1.00 10.42 H new ATOM 0 HG3 LYS B 125 -15.928 10.110 0.978 1.00 10.42 H new ATOM 0 HD2 LYS B 125 -16.690 12.341 1.823 1.00 60.32 H new ATOM 0 HD3 LYS B 125 -16.909 12.872 0.167 1.00 60.32 H new ATOM 0 HE2 LYS B 125 -18.459 10.994 -0.235 1.00 60.51 H new ATOM 0 HE3 LYS B 125 -18.232 10.448 1.414 1.00 60.51 H new ATOM 0 HZ1 LYS B 125 -20.259 11.696 1.175 1.00 22.44 H new ATOM 0 HZ2 LYS B 125 -19.187 12.521 2.202 1.00 22.44 H new ATOM 0 HZ3 LYS B 125 -19.407 13.049 0.604 1.00 22.44 H new ATOM 1509 N GLU B 126 -12.415 13.385 1.029 1.00 70.42 N ATOM 1510 CA GLU B 126 -11.090 13.724 1.510 1.00 15.41 C ATOM 1511 C GLU B 126 -11.104 13.513 3.040 1.00 31.21 C ATOM 1512 O GLU B 126 -12.179 13.240 3.573 1.00 23.22 O ATOM 1513 CB GLU B 126 -10.652 15.136 1.076 1.00 2.30 C ATOM 1514 CG GLU B 126 -11.468 16.284 1.595 1.00 73.12 C ATOM 1515 CD GLU B 126 -10.893 17.579 1.111 1.00 4.32 C ATOM 1516 OE1 GLU B 126 -9.987 18.123 1.779 1.00 52.21 O ATOM 1517 OE2 GLU B 126 -11.297 18.049 0.033 1.00 1.03 O ATOM 0 H GLU B 126 -13.090 13.258 1.783 1.00 70.42 H new ATOM 0 HA GLU B 126 -10.334 13.078 1.064 1.00 15.41 H new ATOM 0 HB2 GLU B 126 -9.619 15.283 1.390 1.00 2.30 H new ATOM 0 HB3 GLU B 126 -10.663 15.176 -0.013 1.00 2.30 H new ATOM 0 HG2 GLU B 126 -12.501 16.187 1.261 1.00 73.12 H new ATOM 0 HG3 GLU B 126 -11.483 16.268 2.685 1.00 73.12 H new ATOM 1524 N PRO B 127 -9.977 13.652 3.791 1.00 62.30 N ATOM 1525 CA PRO B 127 -9.954 13.233 5.157 1.00 34.33 C ATOM 1526 C PRO B 127 -10.516 14.245 6.119 1.00 44.35 C ATOM 1527 O PRO B 127 -10.359 15.460 5.961 1.00 23.42 O ATOM 1528 CB PRO B 127 -8.475 12.996 5.436 1.00 21.44 C ATOM 1529 CG PRO B 127 -7.769 13.975 4.570 1.00 70.03 C ATOM 1530 CD PRO B 127 -8.700 14.282 3.415 1.00 30.30 C ATOM 0 HA PRO B 127 -10.584 12.355 5.302 1.00 34.33 H new ATOM 0 HB2 PRO B 127 -8.240 13.155 6.488 1.00 21.44 H new ATOM 0 HB3 PRO B 127 -8.185 11.973 5.196 1.00 21.44 H new ATOM 0 HG2 PRO B 127 -7.529 14.881 5.126 1.00 70.03 H new ATOM 0 HG3 PRO B 127 -6.826 13.564 4.209 1.00 70.03 H new ATOM 0 HD2 PRO B 127 -8.815 15.357 3.273 1.00 30.30 H new ATOM 0 HD3 PRO B 127 -8.318 13.876 2.479 1.00 30.30 H new ATOM 1855 N CYS C 209 -0.500 -15.680 4.316 1.00 53.54 N ATOM 1856 CA CYS C 209 0.566 -14.757 4.553 1.00 71.42 C ATOM 1857 C CYS C 209 1.548 -14.971 3.400 1.00 54.21 C ATOM 1858 O CYS C 209 1.848 -16.127 3.070 1.00 13.33 O ATOM 1859 CB CYS C 209 1.235 -15.040 5.918 1.00 51.31 C ATOM 1860 SG CYS C 209 2.693 -14.017 6.295 1.00 13.44 S ATOM 0 HA CYS C 209 0.215 -13.726 4.592 1.00 71.42 H new ATOM 0 HB2 CYS C 209 0.495 -14.893 6.705 1.00 51.31 H new ATOM 0 HB3 CYS C 209 1.529 -16.089 5.950 1.00 51.31 H new ATOM 1865 N PRO C 210 2.022 -13.899 2.736 1.00 44.05 N ATOM 1866 CA PRO C 210 2.915 -14.032 1.603 1.00 1.24 C ATOM 1867 C PRO C 210 4.387 -14.140 2.001 1.00 31.10 C ATOM 1868 O PRO C 210 5.044 -15.163 1.759 1.00 54.21 O ATOM 1869 CB PRO C 210 2.660 -12.753 0.785 1.00 10.14 C ATOM 1870 CG PRO C 210 1.956 -11.789 1.703 1.00 3.14 C ATOM 1871 CD PRO C 210 1.700 -12.493 3.017 1.00 14.41 C ATOM 0 HA PRO C 210 2.720 -14.952 1.051 1.00 1.24 H new ATOM 0 HB2 PRO C 210 3.598 -12.330 0.424 1.00 10.14 H new ATOM 0 HB3 PRO C 210 2.050 -12.969 -0.092 1.00 10.14 H new ATOM 0 HG2 PRO C 210 2.566 -10.899 1.860 1.00 3.14 H new ATOM 0 HG3 PRO C 210 1.017 -11.458 1.259 1.00 3.14 H new ATOM 0 HD2 PRO C 210 2.327 -12.092 3.814 1.00 14.41 H new ATOM 0 HD3 PRO C 210 0.664 -12.377 3.337 1.00 14.41 H new ATOM 1879 N CYS C 211 4.899 -13.111 2.608 1.00 72.33 N ATOM 1880 CA CYS C 211 6.268 -13.081 2.968 1.00 4.43 C ATOM 1881 C CYS C 211 6.437 -13.463 4.409 1.00 43.14 C ATOM 1882 O CYS C 211 5.866 -12.845 5.303 1.00 54.31 O ATOM 1883 CB CYS C 211 6.839 -11.708 2.695 1.00 71.01 C ATOM 1884 SG CYS C 211 6.587 -11.163 0.979 1.00 42.24 S ATOM 0 H CYS C 211 4.373 -12.275 2.863 1.00 72.33 H new ATOM 0 HA CYS C 211 6.815 -13.806 2.365 1.00 4.43 H new ATOM 0 HB2 CYS C 211 6.378 -10.988 3.371 1.00 71.01 H new ATOM 0 HB3 CYS C 211 7.906 -11.714 2.916 1.00 71.01 H new ATOM 1889 N ARG C 212 7.221 -14.477 4.627 1.00 61.33 N ATOM 1890 CA ARG C 212 7.491 -14.963 5.956 1.00 2.24 C ATOM 1891 C ARG C 212 8.493 -14.055 6.616 1.00 20.22 C ATOM 1892 O ARG C 212 8.434 -13.802 7.821 1.00 63.13 O ATOM 1893 CB ARG C 212 8.029 -16.399 5.881 1.00 63.32 C ATOM 1894 CG ARG C 212 7.045 -17.386 5.298 1.00 64.24 C ATOM 1895 CD ARG C 212 5.838 -17.514 6.189 1.00 62.32 C ATOM 1896 NE ARG C 212 4.799 -18.364 5.601 1.00 13.41 N ATOM 1897 CZ ARG C 212 3.537 -18.429 6.043 1.00 12.31 C ATOM 1898 NH1 ARG C 212 3.173 -17.720 7.121 1.00 4.31 N ATOM 1899 NH2 ARG C 212 2.642 -19.193 5.413 1.00 61.11 N ATOM 0 H ARG C 212 7.695 -14.995 3.888 1.00 61.33 H new ATOM 0 HA ARG C 212 6.574 -14.969 6.545 1.00 2.24 H new ATOM 0 HB2 ARG C 212 8.938 -16.406 5.279 1.00 63.32 H new ATOM 0 HB3 ARG C 212 8.308 -16.726 6.883 1.00 63.32 H new ATOM 0 HG2 ARG C 212 6.738 -17.059 4.304 1.00 64.24 H new ATOM 0 HG3 ARG C 212 7.523 -18.359 5.180 1.00 64.24 H new ATOM 0 HD2 ARG C 212 6.142 -17.928 7.151 1.00 62.32 H new ATOM 0 HD3 ARG C 212 5.427 -16.524 6.384 1.00 62.32 H new ATOM 0 HE ARG C 212 5.054 -18.945 4.802 1.00 13.41 H new ATOM 0 HH11 ARG C 212 3.856 -17.134 7.601 1.00 4.31 H new ATOM 0 HH12 ARG C 212 2.213 -17.766 7.461 1.00 4.31 H new ATOM 0 HH21 ARG C 212 2.919 -19.730 4.591 1.00 61.11 H new ATOM 0 HH22 ARG C 212 1.682 -19.240 5.753 1.00 61.11 H new ATOM 1913 N PHE C 213 9.396 -13.554 5.810 1.00 41.03 N ATOM 1914 CA PHE C 213 10.435 -12.670 6.252 1.00 5.34 C ATOM 1915 C PHE C 213 10.475 -11.500 5.302 1.00 15.51 C ATOM 1916 O PHE C 213 10.000 -11.613 4.171 1.00 61.22 O ATOM 1917 CB PHE C 213 11.795 -13.406 6.320 1.00 22.34 C ATOM 1918 CG PHE C 213 11.809 -14.540 7.324 1.00 12.45 C ATOM 1919 CD1 PHE C 213 11.247 -15.767 7.011 1.00 41.41 C ATOM 1920 CD2 PHE C 213 12.355 -14.366 8.583 1.00 1.20 C ATOM 1921 CE1 PHE C 213 11.224 -16.796 7.919 1.00 11.14 C ATOM 1922 CE2 PHE C 213 12.339 -15.398 9.506 1.00 24.34 C ATOM 1923 CZ PHE C 213 11.771 -16.614 9.173 1.00 24.20 C ATOM 0 H PHE C 213 9.426 -13.756 4.811 1.00 41.03 H new ATOM 0 HA PHE C 213 10.231 -12.313 7.262 1.00 5.34 H new ATOM 0 HB2 PHE C 213 12.038 -13.800 5.333 1.00 22.34 H new ATOM 0 HB3 PHE C 213 12.576 -12.691 6.578 1.00 22.34 H new ATOM 0 HD1 PHE C 213 10.818 -15.917 6.031 1.00 41.41 H new ATOM 0 HD2 PHE C 213 12.798 -13.417 8.848 1.00 1.20 H new ATOM 0 HE1 PHE C 213 10.780 -17.744 7.653 1.00 11.14 H new ATOM 0 HE2 PHE C 213 12.770 -15.253 10.486 1.00 24.34 H new ATOM 0 HZ PHE C 213 11.755 -17.419 9.892 1.00 24.20 H new ATOM 1933 N PHE C 214 10.993 -10.396 5.750 1.00 10.10 N ATOM 1934 CA PHE C 214 10.984 -9.179 4.967 1.00 34.12 C ATOM 1935 C PHE C 214 12.320 -8.455 4.969 1.00 11.34 C ATOM 1936 O PHE C 214 13.087 -8.565 5.918 1.00 31.14 O ATOM 1937 CB PHE C 214 9.831 -8.257 5.423 1.00 41.34 C ATOM 1938 CG PHE C 214 9.693 -8.120 6.925 1.00 51.10 C ATOM 1939 CD1 PHE C 214 10.623 -7.424 7.672 1.00 34.03 C ATOM 1940 CD2 PHE C 214 8.624 -8.709 7.583 1.00 35.22 C ATOM 1941 CE1 PHE C 214 10.490 -7.314 9.042 1.00 25.11 C ATOM 1942 CE2 PHE C 214 8.489 -8.605 8.950 1.00 35.25 C ATOM 1943 CZ PHE C 214 9.423 -7.904 9.680 1.00 11.12 C ATOM 0 H PHE C 214 11.435 -10.305 6.665 1.00 10.10 H new ATOM 0 HA PHE C 214 10.812 -9.467 3.930 1.00 34.12 H new ATOM 0 HB2 PHE C 214 9.983 -7.267 4.993 1.00 41.34 H new ATOM 0 HB3 PHE C 214 8.894 -8.640 5.018 1.00 41.34 H new ATOM 0 HD1 PHE C 214 11.464 -6.960 7.179 1.00 34.03 H new ATOM 0 HD2 PHE C 214 7.887 -9.257 7.016 1.00 35.22 H new ATOM 0 HE1 PHE C 214 11.224 -6.765 9.613 1.00 25.11 H new ATOM 0 HE2 PHE C 214 7.652 -9.072 9.448 1.00 35.25 H new ATOM 0 HZ PHE C 214 9.318 -7.817 10.751 1.00 11.12 H new ATOM 1953 N GLU C 215 12.581 -7.749 3.886 1.00 4.44 N ATOM 1954 CA GLU C 215 13.749 -6.935 3.698 1.00 13.53 C ATOM 1955 C GLU C 215 13.594 -5.605 4.391 1.00 3.11 C ATOM 1956 O GLU C 215 12.490 -5.111 4.581 1.00 55.32 O ATOM 1957 CB GLU C 215 14.008 -6.654 2.209 1.00 21.52 C ATOM 1958 CG GLU C 215 14.614 -7.777 1.389 1.00 2.13 C ATOM 1959 CD GLU C 215 13.774 -9.018 1.197 1.00 13.22 C ATOM 1960 OE1 GLU C 215 12.557 -8.912 0.924 1.00 65.04 O ATOM 1961 OE2 GLU C 215 14.364 -10.125 1.237 1.00 50.01 O ATOM 0 H GLU C 215 11.953 -7.732 3.083 1.00 4.44 H new ATOM 0 HA GLU C 215 14.585 -7.492 4.121 1.00 13.53 H new ATOM 0 HB2 GLU C 215 13.061 -6.372 1.748 1.00 21.52 H new ATOM 0 HB3 GLU C 215 14.668 -5.789 2.138 1.00 21.52 H new ATOM 0 HG2 GLU C 215 14.863 -7.381 0.404 1.00 2.13 H new ATOM 0 HG3 GLU C 215 15.552 -8.072 1.860 1.00 2.13 H new ATOM 1968 N SER C 216 14.694 -5.028 4.756 1.00 33.25 N ATOM 1969 CA SER C 216 14.692 -3.738 5.388 1.00 52.35 C ATOM 1970 C SER C 216 15.534 -2.745 4.600 1.00 22.22 C ATOM 1971 O SER C 216 15.131 -1.614 4.347 1.00 61.44 O ATOM 1972 CB SER C 216 15.289 -3.853 6.768 1.00 11.14 C ATOM 1973 OG SER C 216 14.598 -4.793 7.562 1.00 35.42 O ATOM 0 H SER C 216 15.621 -5.433 4.627 1.00 33.25 H new ATOM 0 HA SER C 216 13.660 -3.389 5.434 1.00 52.35 H new ATOM 0 HB2 SER C 216 16.336 -4.145 6.688 1.00 11.14 H new ATOM 0 HB3 SER C 216 15.266 -2.879 7.256 1.00 11.14 H new ATOM 0 HG SER C 216 13.984 -4.324 8.164 1.00 35.42 H new ATOM 1979 N HIS C 217 16.703 -3.170 4.210 1.00 32.43 N ATOM 1980 CA HIS C 217 17.640 -2.275 3.604 1.00 52.10 C ATOM 1981 C HIS C 217 17.393 -2.173 2.116 1.00 61.12 C ATOM 1982 O HIS C 217 18.000 -2.887 1.332 1.00 13.43 O ATOM 1983 CB HIS C 217 19.055 -2.746 3.881 1.00 1.14 C ATOM 1984 CG HIS C 217 20.000 -1.640 4.096 1.00 22.40 C ATOM 1985 ND1 HIS C 217 21.035 -1.327 3.248 1.00 45.53 N ATOM 1986 CD2 HIS C 217 20.070 -0.783 5.121 1.00 14.35 C ATOM 1987 CE1 HIS C 217 21.709 -0.316 3.749 1.00 43.54 C ATOM 1988 NE2 HIS C 217 21.143 0.037 4.888 1.00 21.44 N ATOM 0 H HIS C 217 17.027 -4.133 4.302 1.00 32.43 H new ATOM 0 HA HIS C 217 17.509 -1.283 4.036 1.00 52.10 H new ATOM 0 HB2 HIS C 217 19.052 -3.389 4.761 1.00 1.14 H new ATOM 0 HB3 HIS C 217 19.400 -3.353 3.044 1.00 1.14 H new ATOM 0 HD2 HIS C 217 19.406 -0.745 5.972 1.00 14.35 H new ATOM 0 HE1 HIS C 217 22.578 0.147 3.305 1.00 43.54 H new ATOM 0 HE2 HIS C 217 21.453 0.796 5.495 1.00 21.44 H new ATOM 1997 N VAL C 218 16.446 -1.349 1.742 1.00 51.22 N ATOM 1998 CA VAL C 218 16.080 -1.168 0.351 1.00 65.12 C ATOM 1999 C VAL C 218 15.910 0.333 0.085 1.00 44.24 C ATOM 2000 O VAL C 218 15.458 1.071 0.965 1.00 1.01 O ATOM 2001 CB VAL C 218 14.744 -1.913 0.010 1.00 24.22 C ATOM 2002 CG1 VAL C 218 14.462 -1.866 -1.477 1.00 10.12 C ATOM 2003 CG2 VAL C 218 14.758 -3.361 0.501 1.00 13.52 C ATOM 0 H VAL C 218 15.903 -0.781 2.392 1.00 51.22 H new ATOM 0 HA VAL C 218 16.866 -1.586 -0.278 1.00 65.12 H new ATOM 0 HB VAL C 218 13.944 -1.391 0.535 1.00 24.22 H new ATOM 0 HG11 VAL C 218 13.530 -2.390 -1.687 1.00 10.12 H new ATOM 0 HG12 VAL C 218 14.375 -0.828 -1.798 1.00 10.12 H new ATOM 0 HG13 VAL C 218 15.278 -2.346 -2.017 1.00 10.12 H new ATOM 0 HG21 VAL C 218 13.814 -3.841 0.245 1.00 13.52 H new ATOM 0 HG22 VAL C 218 15.579 -3.898 0.026 1.00 13.52 H new ATOM 0 HG23 VAL C 218 14.891 -3.377 1.583 1.00 13.52 H new ATOM 2013 N ALA C 219 16.287 0.779 -1.096 1.00 0.11 N ATOM 2014 CA ALA C 219 16.207 2.189 -1.456 1.00 3.43 C ATOM 2015 C ALA C 219 14.846 2.530 -2.090 1.00 73.22 C ATOM 2016 O ALA C 219 14.356 1.795 -2.965 1.00 64.52 O ATOM 2017 CB ALA C 219 17.347 2.539 -2.401 1.00 35.32 C ATOM 0 H ALA C 219 16.657 0.180 -1.834 1.00 0.11 H new ATOM 0 HA ALA C 219 16.299 2.785 -0.548 1.00 3.43 H new ATOM 0 HB1 ALA C 219 17.286 3.594 -2.670 1.00 35.32 H new ATOM 0 HB2 ALA C 219 18.300 2.344 -1.909 1.00 35.32 H new ATOM 0 HB3 ALA C 219 17.273 1.930 -3.302 1.00 35.32 H new ATOM 2023 N ARG C 220 14.246 3.653 -1.662 1.00 5.34 N ATOM 2024 CA ARG C 220 12.932 4.100 -2.168 1.00 30.10 C ATOM 2025 C ARG C 220 12.952 4.384 -3.676 1.00 63.52 C ATOM 2026 O ARG C 220 11.947 4.193 -4.362 1.00 53.31 O ATOM 2027 CB ARG C 220 12.399 5.341 -1.390 1.00 32.13 C ATOM 2028 CG ARG C 220 11.058 5.896 -1.928 1.00 53.31 C ATOM 2029 CD ARG C 220 9.987 4.809 -1.940 1.00 44.34 C ATOM 2030 NE ARG C 220 8.709 5.222 -2.556 1.00 31.41 N ATOM 2031 CZ ARG C 220 8.253 4.734 -3.738 1.00 52.42 C ATOM 2032 NH1 ARG C 220 9.088 4.119 -4.573 1.00 35.12 N ATOM 2033 NH2 ARG C 220 6.975 4.916 -4.109 1.00 45.55 N ATOM 0 H ARG C 220 14.652 4.274 -0.962 1.00 5.34 H new ATOM 0 HA ARG C 220 12.247 3.270 -1.996 1.00 30.10 H new ATOM 0 HB2 ARG C 220 12.274 5.073 -0.341 1.00 32.13 H new ATOM 0 HB3 ARG C 220 13.149 6.131 -1.430 1.00 32.13 H new ATOM 0 HG2 ARG C 220 10.729 6.730 -1.308 1.00 53.31 H new ATOM 0 HG3 ARG C 220 11.199 6.285 -2.936 1.00 53.31 H new ATOM 0 HD2 ARG C 220 10.372 3.942 -2.476 1.00 44.34 H new ATOM 0 HD3 ARG C 220 9.797 4.491 -0.915 1.00 44.34 H new ATOM 0 HE ARG C 220 8.138 5.911 -2.067 1.00 31.41 H new ATOM 0 HH11 ARG C 220 10.072 4.014 -4.325 1.00 35.12 H new ATOM 0 HH12 ARG C 220 8.744 3.753 -5.461 1.00 35.12 H new ATOM 0 HH21 ARG C 220 6.335 5.426 -3.500 1.00 45.55 H new ATOM 0 HH22 ARG C 220 6.645 4.544 -5.000 1.00 45.55 H new ATOM 2047 N ALA C 221 14.074 4.815 -4.181 1.00 43.42 N ATOM 2048 CA ALA C 221 14.194 5.148 -5.590 1.00 15.22 C ATOM 2049 C ALA C 221 14.379 3.901 -6.447 1.00 75.02 C ATOM 2050 O ALA C 221 14.254 3.952 -7.671 1.00 43.34 O ATOM 2051 CB ALA C 221 15.348 6.110 -5.804 1.00 62.23 C ATOM 0 H ALA C 221 14.929 4.948 -3.641 1.00 43.42 H new ATOM 0 HA ALA C 221 13.266 5.628 -5.900 1.00 15.22 H new ATOM 0 HB1 ALA C 221 15.428 6.352 -6.864 1.00 62.23 H new ATOM 0 HB2 ALA C 221 15.171 7.023 -5.235 1.00 62.23 H new ATOM 0 HB3 ALA C 221 16.275 5.647 -5.467 1.00 62.23 H new ATOM 2057 N ASN C 222 14.669 2.792 -5.805 1.00 51.24 N ATOM 2058 CA ASN C 222 14.914 1.551 -6.511 1.00 63.41 C ATOM 2059 C ASN C 222 13.658 0.660 -6.491 1.00 2.45 C ATOM 2060 O ASN C 222 13.518 -0.275 -7.296 1.00 73.41 O ATOM 2061 CB ASN C 222 16.170 0.862 -5.934 1.00 62.23 C ATOM 2062 CG ASN C 222 16.567 -0.408 -6.656 1.00 13.10 C ATOM 2063 OD1 ASN C 222 16.210 -1.522 -6.109 1.00 51.15 O flip ATOM 2064 ND2 ASN C 222 17.261 -0.373 -7.667 1.00 42.11 N flip ATOM 0 H ASN C 222 14.742 2.722 -4.790 1.00 51.24 H new ATOM 0 HA ASN C 222 15.120 1.753 -7.562 1.00 63.41 H new ATOM 0 HB2 ASN C 222 17.004 1.563 -5.970 1.00 62.23 H new ATOM 0 HB3 ASN C 222 15.993 0.630 -4.884 1.00 62.23 H new ATOM 0 HD21 ASN C 222 17.525 0.524 -8.073 1.00 42.11 H new ATOM 0 HD22 ASN C 222 17.574 -1.241 -8.101 1.00 42.11 H new ATOM 2071 N VAL C 223 12.735 0.975 -5.589 1.00 62.24 N ATOM 2072 CA VAL C 223 11.442 0.308 -5.556 1.00 13.14 C ATOM 2073 C VAL C 223 10.471 1.156 -6.347 1.00 34.23 C ATOM 2074 O VAL C 223 10.622 2.379 -6.417 1.00 50.21 O ATOM 2075 CB VAL C 223 10.866 0.106 -4.112 1.00 74.12 C ATOM 2076 CG1 VAL C 223 11.753 -0.766 -3.274 1.00 61.15 C ATOM 2077 CG2 VAL C 223 10.620 1.424 -3.414 1.00 54.24 C ATOM 0 H VAL C 223 12.860 1.689 -4.871 1.00 62.24 H new ATOM 0 HA VAL C 223 11.577 -0.689 -5.976 1.00 13.14 H new ATOM 0 HB VAL C 223 9.907 -0.399 -4.232 1.00 74.12 H new ATOM 0 HG11 VAL C 223 11.318 -0.881 -2.281 1.00 61.15 H new ATOM 0 HG12 VAL C 223 11.849 -1.745 -3.743 1.00 61.15 H new ATOM 0 HG13 VAL C 223 12.738 -0.307 -3.188 1.00 61.15 H new ATOM 0 HG21 VAL C 223 10.221 1.239 -2.417 1.00 54.24 H new ATOM 0 HG22 VAL C 223 11.558 1.974 -3.333 1.00 54.24 H new ATOM 0 HG23 VAL C 223 9.903 2.011 -3.988 1.00 54.24 H new ATOM 2087 N LYS C 224 9.505 0.544 -6.946 1.00 31.41 N ATOM 2088 CA LYS C 224 8.578 1.295 -7.727 1.00 71.32 C ATOM 2089 C LYS C 224 7.392 1.770 -6.871 1.00 3.53 C ATOM 2090 O LYS C 224 7.268 2.966 -6.561 1.00 62.41 O ATOM 2091 CB LYS C 224 8.133 0.505 -8.964 1.00 1.40 C ATOM 2092 CG LYS C 224 9.323 0.099 -9.811 1.00 51.23 C ATOM 2093 CD LYS C 224 8.956 -0.505 -11.150 1.00 63.52 C ATOM 2094 CE LYS C 224 8.198 -1.799 -11.082 1.00 21.41 C ATOM 2095 NZ LYS C 224 7.999 -2.336 -12.457 1.00 32.52 N ATOM 0 H LYS C 224 9.337 -0.461 -6.912 1.00 31.41 H new ATOM 0 HA LYS C 224 9.081 2.191 -8.091 1.00 71.32 H new ATOM 0 HB2 LYS C 224 7.584 -0.384 -8.653 1.00 1.40 H new ATOM 0 HB3 LYS C 224 7.449 1.110 -9.559 1.00 1.40 H new ATOM 0 HG2 LYS C 224 9.950 0.975 -9.980 1.00 51.23 H new ATOM 0 HG3 LYS C 224 9.923 -0.620 -9.253 1.00 51.23 H new ATOM 0 HD2 LYS C 224 8.359 0.218 -11.705 1.00 63.52 H new ATOM 0 HD3 LYS C 224 9.871 -0.668 -11.720 1.00 63.52 H new ATOM 0 HE2 LYS C 224 8.745 -2.521 -10.475 1.00 21.41 H new ATOM 0 HE3 LYS C 224 7.233 -1.642 -10.599 1.00 21.41 H new ATOM 0 HZ1 LYS C 224 7.474 -3.232 -12.407 1.00 32.52 H new ATOM 0 HZ2 LYS C 224 7.460 -1.650 -13.023 1.00 32.52 H new ATOM 0 HZ3 LYS C 224 8.924 -2.501 -12.902 1.00 32.52 H new ATOM 2109 N HIS C 225 6.552 0.842 -6.449 1.00 51.13 N ATOM 2110 CA HIS C 225 5.398 1.195 -5.613 1.00 24.03 C ATOM 2111 C HIS C 225 5.401 0.344 -4.364 1.00 4.14 C ATOM 2112 O HIS C 225 6.192 -0.588 -4.256 1.00 41.32 O ATOM 2113 CB HIS C 225 4.039 0.997 -6.362 1.00 42.13 C ATOM 2114 CG HIS C 225 3.618 -0.452 -6.625 1.00 13.54 C ATOM 2115 ND1 HIS C 225 3.270 -1.446 -5.760 1.00 43.15 N flip ATOM 2116 CD2 HIS C 225 3.468 -0.997 -7.880 1.00 31.44 C flip ATOM 2117 CE1 HIS C 225 2.932 -2.531 -6.497 1.00 11.53 C flip ATOM 2118 NE2 HIS C 225 3.049 -2.247 -7.760 1.00 32.21 N flip ATOM 0 H HIS C 225 6.637 -0.152 -6.663 1.00 51.13 H new ATOM 0 HA HIS C 225 5.490 2.251 -5.361 1.00 24.03 H new ATOM 0 HB2 HIS C 225 3.254 1.482 -5.782 1.00 42.13 H new ATOM 0 HB3 HIS C 225 4.096 1.517 -7.319 1.00 42.13 H new ATOM 0 HD2 HIS C 225 3.661 -0.487 -8.812 1.00 31.44 H new ATOM 0 HE1 HIS C 225 2.615 -3.483 -6.098 1.00 11.53 H new ATOM 0 HE2 HIS C 225 2.850 -2.883 -8.532 1.00 32.21 H new ATOM 2127 N LEU C 226 4.473 0.615 -3.468 1.00 61.11 N ATOM 2128 CA LEU C 226 4.319 -0.163 -2.249 1.00 10.50 C ATOM 2129 C LEU C 226 2.960 -0.829 -2.264 1.00 34.33 C ATOM 2130 O LEU C 226 2.001 -0.258 -2.741 1.00 31.32 O ATOM 2131 CB LEU C 226 4.443 0.705 -0.974 1.00 52.13 C ATOM 2132 CG LEU C 226 5.833 1.266 -0.588 1.00 44.14 C ATOM 2133 CD1 LEU C 226 6.386 2.237 -1.618 1.00 73.45 C ATOM 2134 CD2 LEU C 226 5.752 1.924 0.774 1.00 23.11 C ATOM 0 H LEU C 226 3.804 1.379 -3.562 1.00 61.11 H new ATOM 0 HA LEU C 226 5.120 -0.901 -2.222 1.00 10.50 H new ATOM 0 HB2 LEU C 226 3.764 1.551 -1.083 1.00 52.13 H new ATOM 0 HB3 LEU C 226 4.081 0.112 -0.134 1.00 52.13 H new ATOM 0 HG LEU C 226 6.527 0.426 -0.555 1.00 44.14 H new ATOM 0 HD11 LEU C 226 7.362 2.596 -1.292 1.00 73.45 H new ATOM 0 HD12 LEU C 226 6.488 1.730 -2.578 1.00 73.45 H new ATOM 0 HD13 LEU C 226 5.705 3.082 -1.724 1.00 73.45 H new ATOM 0 HD21 LEU C 226 6.731 2.319 1.046 1.00 23.11 H new ATOM 0 HD22 LEU C 226 5.028 2.738 0.742 1.00 23.11 H new ATOM 0 HD23 LEU C 226 5.439 1.189 1.515 1.00 23.11 H new ATOM 2146 N LYS C 227 2.883 -2.029 -1.800 1.00 53.10 N ATOM 2147 CA LYS C 227 1.630 -2.735 -1.745 1.00 73.41 C ATOM 2148 C LYS C 227 1.439 -3.314 -0.359 1.00 10.43 C ATOM 2149 O LYS C 227 2.305 -4.005 0.143 1.00 51.43 O ATOM 2150 CB LYS C 227 1.580 -3.804 -2.849 1.00 64.22 C ATOM 2151 CG LYS C 227 0.331 -4.672 -2.850 1.00 2.30 C ATOM 2152 CD LYS C 227 0.281 -5.596 -4.070 1.00 14.30 C ATOM 2153 CE LYS C 227 1.535 -6.429 -4.205 1.00 61.34 C ATOM 2154 NZ LYS C 227 1.433 -7.430 -5.276 1.00 4.42 N ATOM 0 H LYS C 227 3.681 -2.556 -1.446 1.00 53.10 H new ATOM 0 HA LYS C 227 0.801 -2.052 -1.930 1.00 73.41 H new ATOM 0 HB2 LYS C 227 1.660 -3.309 -3.817 1.00 64.22 H new ATOM 0 HB3 LYS C 227 2.452 -4.450 -2.748 1.00 64.22 H new ATOM 0 HG2 LYS C 227 0.304 -5.271 -1.939 1.00 2.30 H new ATOM 0 HG3 LYS C 227 -0.554 -4.036 -2.840 1.00 2.30 H new ATOM 0 HD2 LYS C 227 -0.584 -6.254 -3.990 1.00 14.30 H new ATOM 0 HD3 LYS C 227 0.145 -4.998 -4.971 1.00 14.30 H new ATOM 0 HE2 LYS C 227 2.383 -5.774 -4.404 1.00 61.34 H new ATOM 0 HE3 LYS C 227 1.736 -6.932 -3.259 1.00 61.34 H new ATOM 0 HZ1 LYS C 227 2.318 -7.975 -5.328 1.00 4.42 H new ATOM 0 HZ2 LYS C 227 0.641 -8.074 -5.075 1.00 4.42 H new ATOM 0 HZ3 LYS C 227 1.268 -6.951 -6.184 1.00 4.42 H new ATOM 2168 N ILE C 228 0.312 -3.045 0.239 1.00 24.12 N ATOM 2169 CA ILE C 228 0.061 -3.433 1.598 1.00 52.42 C ATOM 2170 C ILE C 228 -0.839 -4.656 1.639 1.00 0.02 C ATOM 2171 O ILE C 228 -2.004 -4.631 1.163 1.00 62.50 O ATOM 2172 CB ILE C 228 -0.616 -2.299 2.413 1.00 4.44 C ATOM 2173 CG1 ILE C 228 0.196 -0.999 2.330 1.00 51.12 C ATOM 2174 CG2 ILE C 228 -0.771 -2.731 3.869 1.00 14.03 C ATOM 2175 CD1 ILE C 228 -0.405 0.154 3.116 1.00 72.54 C ATOM 0 H ILE C 228 -0.461 -2.549 -0.204 1.00 24.12 H new ATOM 0 HA ILE C 228 1.030 -3.655 2.046 1.00 52.42 H new ATOM 0 HB ILE C 228 -1.601 -2.109 1.986 1.00 4.44 H new ATOM 0 HG12 ILE C 228 1.205 -1.188 2.696 1.00 51.12 H new ATOM 0 HG13 ILE C 228 0.286 -0.705 1.284 1.00 51.12 H new ATOM 0 HG21 ILE C 228 -1.247 -1.932 4.437 1.00 14.03 H new ATOM 0 HG22 ILE C 228 -1.388 -3.628 3.919 1.00 14.03 H new ATOM 0 HG23 ILE C 228 0.211 -2.942 4.292 1.00 14.03 H new ATOM 0 HD11 ILE C 228 0.226 1.036 3.008 1.00 72.54 H new ATOM 0 HD12 ILE C 228 -1.403 0.373 2.736 1.00 72.54 H new ATOM 0 HD13 ILE C 228 -0.470 -0.118 4.169 1.00 72.54 H new ATOM 2187 N LEU C 229 -0.294 -5.697 2.192 1.00 3.51 N ATOM 2188 CA LEU C 229 -0.947 -6.951 2.378 1.00 60.12 C ATOM 2189 C LEU C 229 -1.082 -7.226 3.873 1.00 22.24 C ATOM 2190 O LEU C 229 -0.144 -7.694 4.531 1.00 53.02 O ATOM 2191 CB LEU C 229 -0.172 -8.071 1.629 1.00 2.42 C ATOM 2192 CG LEU C 229 -0.271 -8.009 0.087 1.00 61.10 C ATOM 2193 CD1 LEU C 229 0.750 -8.885 -0.590 1.00 63.34 C ATOM 2194 CD2 LEU C 229 -1.627 -8.481 -0.341 1.00 55.21 C ATOM 0 H LEU C 229 0.664 -5.691 2.541 1.00 3.51 H new ATOM 0 HA LEU C 229 -1.951 -6.926 1.953 1.00 60.12 H new ATOM 0 HB2 LEU C 229 0.879 -8.019 1.914 1.00 2.42 H new ATOM 0 HB3 LEU C 229 -0.546 -9.038 1.964 1.00 2.42 H new ATOM 0 HG LEU C 229 -0.091 -6.974 -0.202 1.00 61.10 H new ATOM 0 HD11 LEU C 229 0.638 -8.805 -1.671 1.00 63.34 H new ATOM 0 HD12 LEU C 229 1.752 -8.564 -0.304 1.00 63.34 H new ATOM 0 HD13 LEU C 229 0.600 -9.921 -0.285 1.00 63.34 H new ATOM 0 HD21 LEU C 229 -1.701 -8.439 -1.428 1.00 55.21 H new ATOM 0 HD22 LEU C 229 -1.777 -9.508 -0.007 1.00 55.21 H new ATOM 0 HD23 LEU C 229 -2.391 -7.841 0.100 1.00 55.21 H new ATOM 2206 N ASN C 230 -2.228 -6.863 4.415 1.00 73.15 N ATOM 2207 CA ASN C 230 -2.491 -7.035 5.834 1.00 20.23 C ATOM 2208 C ASN C 230 -2.963 -8.431 6.101 1.00 75.31 C ATOM 2209 O ASN C 230 -4.032 -8.845 5.643 1.00 64.43 O ATOM 2210 CB ASN C 230 -3.516 -6.016 6.343 1.00 62.52 C ATOM 2211 CG ASN C 230 -3.840 -6.177 7.822 1.00 73.35 C ATOM 2212 OD1 ASN C 230 -3.180 -5.597 8.684 1.00 23.41 O ATOM 2213 ND2 ASN C 230 -4.855 -6.952 8.126 1.00 60.12 N ATOM 0 H ASN C 230 -2.997 -6.444 3.892 1.00 73.15 H new ATOM 0 HA ASN C 230 -1.560 -6.863 6.374 1.00 20.23 H new ATOM 0 HB2 ASN C 230 -3.135 -5.010 6.169 1.00 62.52 H new ATOM 0 HB3 ASN C 230 -4.434 -6.114 5.764 1.00 62.52 H new ATOM 0 HD21 ASN C 230 -5.118 -7.088 9.102 1.00 60.12 H new ATOM 0 HD22 ASN C 230 -5.381 -7.418 7.386 1.00 60.12 H new ATOM 2220 N THR C 231 -2.180 -9.140 6.843 1.00 60.43 N ATOM 2221 CA THR C 231 -2.418 -10.514 7.123 1.00 1.41 C ATOM 2222 C THR C 231 -2.747 -10.712 8.621 1.00 61.31 C ATOM 2223 O THR C 231 -2.522 -9.803 9.425 1.00 55.13 O ATOM 2224 CB THR C 231 -1.183 -11.317 6.709 1.00 3.02 C ATOM 2225 OG1 THR C 231 -0.038 -10.729 7.304 1.00 71.42 O ATOM 2226 CG2 THR C 231 -1.011 -11.296 5.205 1.00 51.02 C ATOM 0 H THR C 231 -1.337 -8.770 7.282 1.00 60.43 H new ATOM 0 HA THR C 231 -3.279 -10.868 6.556 1.00 1.41 H new ATOM 0 HB THR C 231 -1.306 -12.349 7.037 1.00 3.02 H new ATOM 0 HG1 THR C 231 0.585 -10.445 6.603 1.00 71.42 H new ATOM 0 HG21 THR C 231 -0.127 -11.873 4.932 1.00 51.02 H new ATOM 0 HG22 THR C 231 -1.890 -11.733 4.732 1.00 51.02 H new ATOM 0 HG23 THR C 231 -0.891 -10.267 4.867 1.00 51.02 H new ATOM 2234 N PRO C 232 -3.340 -11.867 9.005 1.00 34.33 N ATOM 2235 CA PRO C 232 -3.694 -12.145 10.401 1.00 12.32 C ATOM 2236 C PRO C 232 -2.509 -12.680 11.240 1.00 70.22 C ATOM 2237 O PRO C 232 -2.239 -12.185 12.337 1.00 61.32 O ATOM 2238 CB PRO C 232 -4.792 -13.227 10.286 1.00 60.44 C ATOM 2239 CG PRO C 232 -4.990 -13.458 8.813 1.00 1.34 C ATOM 2240 CD PRO C 232 -3.755 -12.959 8.128 1.00 74.14 C ATOM 0 HA PRO C 232 -4.009 -11.237 10.914 1.00 12.32 H new ATOM 0 HB2 PRO C 232 -4.489 -14.146 10.788 1.00 60.44 H new ATOM 0 HB3 PRO C 232 -5.717 -12.896 10.757 1.00 60.44 H new ATOM 0 HG2 PRO C 232 -5.147 -14.516 8.605 1.00 1.34 H new ATOM 0 HG3 PRO C 232 -5.872 -12.929 8.454 1.00 1.34 H new ATOM 0 HD2 PRO C 232 -2.991 -13.733 8.050 1.00 74.14 H new ATOM 0 HD3 PRO C 232 -3.962 -12.613 7.115 1.00 74.14 H new ATOM 2248 N ASN C 233 -1.807 -13.683 10.713 1.00 35.01 N ATOM 2249 CA ASN C 233 -0.691 -14.328 11.441 1.00 33.41 C ATOM 2250 C ASN C 233 0.606 -13.539 11.240 1.00 55.42 C ATOM 2251 O ASN C 233 1.618 -13.773 11.903 1.00 50.44 O ATOM 2252 CB ASN C 233 -0.493 -15.773 10.936 1.00 63.43 C ATOM 2253 CG ASN C 233 0.553 -16.567 11.732 1.00 61.31 C ATOM 2254 OD1 ASN C 233 0.729 -16.374 12.937 1.00 22.31 O ATOM 2255 ND2 ASN C 233 1.254 -17.451 11.067 1.00 43.01 N ATOM 0 H ASN C 233 -1.983 -14.073 9.787 1.00 35.01 H new ATOM 0 HA ASN C 233 -0.938 -14.344 12.502 1.00 33.41 H new ATOM 0 HB2 ASN C 233 -1.447 -16.298 10.982 1.00 63.43 H new ATOM 0 HB3 ASN C 233 -0.194 -15.745 9.888 1.00 63.43 H new ATOM 0 HD21 ASN C 233 1.967 -18.001 11.546 1.00 43.01 H new ATOM 0 HD22 ASN C 233 1.087 -17.589 10.070 1.00 43.01 H new ATOM 2262 N CYS C 234 0.561 -12.610 10.352 1.00 10.42 N ATOM 2263 CA CYS C 234 1.699 -11.803 10.021 1.00 53.40 C ATOM 2264 C CYS C 234 1.298 -10.345 10.183 1.00 12.41 C ATOM 2265 O CYS C 234 0.108 -10.047 10.298 1.00 25.22 O ATOM 2266 CB CYS C 234 2.189 -12.117 8.591 1.00 61.44 C ATOM 2267 SG CYS C 234 2.666 -13.859 8.315 1.00 72.34 S ATOM 0 H CYS C 234 -0.279 -12.379 9.821 1.00 10.42 H new ATOM 0 HA CYS C 234 2.535 -12.020 10.686 1.00 53.40 H new ATOM 0 HB2 CYS C 234 1.401 -11.854 7.885 1.00 61.44 H new ATOM 0 HB3 CYS C 234 3.044 -11.480 8.366 1.00 61.44 H new ATOM 2272 N ALA C 235 2.256 -9.462 10.279 1.00 2.23 N ATOM 2273 CA ALA C 235 1.979 -8.040 10.480 1.00 64.10 C ATOM 2274 C ALA C 235 1.369 -7.374 9.230 1.00 54.11 C ATOM 2275 O ALA C 235 1.087 -8.041 8.218 1.00 45.54 O ATOM 2276 CB ALA C 235 3.263 -7.335 10.874 1.00 54.55 C ATOM 0 H ALA C 235 3.248 -9.692 10.222 1.00 2.23 H new ATOM 0 HA ALA C 235 1.239 -7.953 11.275 1.00 64.10 H new ATOM 0 HB1 ALA C 235 3.064 -6.274 11.025 1.00 54.55 H new ATOM 0 HB2 ALA C 235 3.647 -7.768 11.798 1.00 54.55 H new ATOM 0 HB3 ALA C 235 4.002 -7.456 10.082 1.00 54.55 H new ATOM 2282 N CYS C 236 1.145 -6.064 9.316 1.00 24.33 N ATOM 2283 CA CYS C 236 0.673 -5.287 8.179 1.00 74.44 C ATOM 2284 C CYS C 236 1.859 -5.143 7.245 1.00 75.21 C ATOM 2285 O CYS C 236 2.655 -4.242 7.372 1.00 33.21 O ATOM 2286 CB CYS C 236 0.152 -3.908 8.646 1.00 4.22 C ATOM 2287 SG CYS C 236 -0.589 -2.853 7.351 1.00 13.45 S ATOM 0 H CYS C 236 1.285 -5.519 10.167 1.00 24.33 H new ATOM 0 HA CYS C 236 -0.159 -5.777 7.674 1.00 74.44 H new ATOM 0 HB2 CYS C 236 -0.592 -4.068 9.427 1.00 4.22 H new ATOM 0 HB3 CYS C 236 0.980 -3.364 9.101 1.00 4.22 H new ATOM 2292 N GLN C 237 1.998 -6.099 6.378 1.00 32.10 N ATOM 2293 CA GLN C 237 3.165 -6.253 5.580 1.00 55.10 C ATOM 2294 C GLN C 237 3.064 -5.512 4.268 1.00 41.53 C ATOM 2295 O GLN C 237 2.024 -5.506 3.614 1.00 73.10 O ATOM 2296 CB GLN C 237 3.379 -7.735 5.367 1.00 11.11 C ATOM 2297 CG GLN C 237 4.634 -8.115 4.643 1.00 73.01 C ATOM 2298 CD GLN C 237 4.782 -9.601 4.614 1.00 11.24 C ATOM 2299 OE1 GLN C 237 4.320 -10.271 3.693 1.00 60.20 O ATOM 2300 NE2 GLN C 237 5.394 -10.136 5.641 1.00 65.44 N ATOM 0 H GLN C 237 1.284 -6.807 6.205 1.00 32.10 H new ATOM 0 HA GLN C 237 4.021 -5.816 6.094 1.00 55.10 H new ATOM 0 HB2 GLN C 237 3.380 -8.226 6.340 1.00 11.11 H new ATOM 0 HB3 GLN C 237 2.528 -8.130 4.812 1.00 11.11 H new ATOM 0 HG2 GLN C 237 4.608 -7.725 3.626 1.00 73.01 H new ATOM 0 HG3 GLN C 237 5.497 -7.666 5.135 1.00 73.01 H new ATOM 0 HE21 GLN C 237 5.762 -9.540 6.383 1.00 65.44 H new ATOM 0 HE22 GLN C 237 5.503 -11.149 5.699 1.00 65.44 H new ATOM 2309 N ILE C 238 4.148 -4.889 3.897 1.00 2.21 N ATOM 2310 CA ILE C 238 4.216 -4.134 2.689 1.00 41.44 C ATOM 2311 C ILE C 238 5.198 -4.788 1.733 1.00 10.04 C ATOM 2312 O ILE C 238 6.330 -5.053 2.093 1.00 44.51 O ATOM 2313 CB ILE C 238 4.650 -2.677 2.976 1.00 1.22 C ATOM 2314 CG1 ILE C 238 3.660 -2.026 3.952 1.00 12.42 C ATOM 2315 CG2 ILE C 238 4.753 -1.875 1.685 1.00 2.31 C ATOM 2316 CD1 ILE C 238 3.968 -0.588 4.287 1.00 35.10 C ATOM 0 H ILE C 238 5.015 -4.895 4.434 1.00 2.21 H new ATOM 0 HA ILE C 238 3.225 -4.113 2.235 1.00 41.44 H new ATOM 0 HB ILE C 238 5.639 -2.687 3.434 1.00 1.22 H new ATOM 0 HG12 ILE C 238 2.659 -2.080 3.525 1.00 12.42 H new ATOM 0 HG13 ILE C 238 3.644 -2.606 4.875 1.00 12.42 H new ATOM 0 HG21 ILE C 238 5.060 -0.854 1.914 1.00 2.31 H new ATOM 0 HG22 ILE C 238 5.490 -2.336 1.028 1.00 2.31 H new ATOM 0 HG23 ILE C 238 3.783 -1.859 1.188 1.00 2.31 H new ATOM 0 HD11 ILE C 238 3.219 -0.208 4.982 1.00 35.10 H new ATOM 0 HD12 ILE C 238 4.954 -0.525 4.746 1.00 35.10 H new ATOM 0 HD13 ILE C 238 3.953 0.009 3.375 1.00 35.10 H new ATOM 2328 N VAL C 239 4.752 -5.059 0.549 1.00 71.33 N ATOM 2329 CA VAL C 239 5.568 -5.661 -0.473 1.00 4.21 C ATOM 2330 C VAL C 239 5.781 -4.651 -1.587 1.00 2.22 C ATOM 2331 O VAL C 239 4.826 -4.016 -2.048 1.00 11.43 O ATOM 2332 CB VAL C 239 4.897 -6.937 -1.048 1.00 51.30 C ATOM 2333 CG1 VAL C 239 5.757 -7.574 -2.132 1.00 51.23 C ATOM 2334 CG2 VAL C 239 4.612 -7.936 0.068 1.00 70.10 C ATOM 0 H VAL C 239 3.795 -4.868 0.253 1.00 71.33 H new ATOM 0 HA VAL C 239 6.523 -5.951 -0.035 1.00 4.21 H new ATOM 0 HB VAL C 239 3.952 -6.644 -1.504 1.00 51.30 H new ATOM 0 HG11 VAL C 239 5.259 -8.465 -2.514 1.00 51.23 H new ATOM 0 HG12 VAL C 239 5.903 -6.863 -2.945 1.00 51.23 H new ATOM 0 HG13 VAL C 239 6.725 -7.850 -1.713 1.00 51.23 H new ATOM 0 HG21 VAL C 239 4.141 -8.825 -0.351 1.00 70.10 H new ATOM 0 HG22 VAL C 239 5.547 -8.215 0.554 1.00 70.10 H new ATOM 0 HG23 VAL C 239 3.944 -7.483 0.800 1.00 70.10 H new ATOM 2344 N ALA C 240 6.998 -4.494 -2.016 1.00 53.02 N ATOM 2345 CA ALA C 240 7.304 -3.534 -3.034 1.00 23.11 C ATOM 2346 C ALA C 240 8.013 -4.190 -4.188 1.00 51.30 C ATOM 2347 O ALA C 240 8.841 -5.083 -4.002 1.00 73.02 O ATOM 2348 CB ALA C 240 8.136 -2.398 -2.468 1.00 21.40 C ATOM 0 H ALA C 240 7.800 -5.023 -1.674 1.00 53.02 H new ATOM 0 HA ALA C 240 6.366 -3.118 -3.403 1.00 23.11 H new ATOM 0 HB1 ALA C 240 8.357 -1.680 -3.258 1.00 21.40 H new ATOM 0 HB2 ALA C 240 7.581 -1.902 -1.672 1.00 21.40 H new ATOM 0 HB3 ALA C 240 9.069 -2.795 -2.067 1.00 21.40 H new ATOM 2354 N ARG C 241 7.696 -3.758 -5.377 1.00 43.21 N ATOM 2355 CA ARG C 241 8.337 -4.292 -6.542 1.00 10.32 C ATOM 2356 C ARG C 241 9.456 -3.416 -6.971 1.00 63.23 C ATOM 2357 O ARG C 241 9.293 -2.193 -7.080 1.00 43.20 O ATOM 2358 CB ARG C 241 7.386 -4.537 -7.718 1.00 44.52 C ATOM 2359 CG ARG C 241 6.443 -5.695 -7.525 1.00 54.34 C ATOM 2360 CD ARG C 241 5.817 -6.101 -8.849 1.00 3.34 C ATOM 2361 NE ARG C 241 5.101 -7.368 -8.733 1.00 43.33 N ATOM 2362 CZ ARG C 241 5.012 -8.296 -9.707 1.00 0.51 C ATOM 2363 NH1 ARG C 241 5.548 -8.072 -10.906 1.00 51.35 N ATOM 2364 NH2 ARG C 241 4.394 -9.449 -9.470 1.00 33.33 N ATOM 0 H ARG C 241 6.998 -3.038 -5.563 1.00 43.21 H new ATOM 0 HA ARG C 241 8.719 -5.269 -6.246 1.00 10.32 H new ATOM 0 HB2 ARG C 241 6.802 -3.633 -7.891 1.00 44.52 H new ATOM 0 HB3 ARG C 241 7.977 -4.712 -8.617 1.00 44.52 H new ATOM 0 HG2 ARG C 241 6.980 -6.541 -7.096 1.00 54.34 H new ATOM 0 HG3 ARG C 241 5.662 -5.421 -6.816 1.00 54.34 H new ATOM 0 HD2 ARG C 241 5.131 -5.323 -9.183 1.00 3.34 H new ATOM 0 HD3 ARG C 241 6.594 -6.188 -9.609 1.00 3.34 H new ATOM 0 HE ARG C 241 4.633 -7.566 -7.849 1.00 43.33 H new ATOM 0 HH11 ARG C 241 6.030 -7.193 -11.093 1.00 51.35 H new ATOM 0 HH12 ARG C 241 5.476 -8.780 -11.637 1.00 51.35 H new ATOM 0 HH21 ARG C 241 3.988 -9.631 -8.552 1.00 33.33 H new ATOM 0 HH22 ARG C 241 4.326 -10.152 -10.206 1.00 33.33 H new ATOM 2378 N LEU C 242 10.585 -4.027 -7.192 1.00 52.11 N ATOM 2379 CA LEU C 242 11.763 -3.336 -7.631 1.00 4.33 C ATOM 2380 C LEU C 242 11.662 -3.074 -9.098 1.00 12.34 C ATOM 2381 O LEU C 242 10.863 -3.725 -9.800 1.00 65.44 O ATOM 2382 CB LEU C 242 13.069 -4.152 -7.334 1.00 32.34 C ATOM 2383 CG LEU C 242 13.474 -4.356 -5.861 1.00 64.42 C ATOM 2384 CD1 LEU C 242 13.655 -3.043 -5.171 1.00 43.40 C ATOM 2385 CD2 LEU C 242 12.488 -5.201 -5.116 1.00 40.32 C ATOM 0 H LEU C 242 10.714 -5.031 -7.071 1.00 52.11 H new ATOM 0 HA LEU C 242 11.827 -2.398 -7.079 1.00 4.33 H new ATOM 0 HB2 LEU C 242 12.959 -5.136 -7.790 1.00 32.34 H new ATOM 0 HB3 LEU C 242 13.896 -3.656 -7.842 1.00 32.34 H new ATOM 0 HG LEU C 242 14.426 -4.887 -5.865 1.00 64.42 H new ATOM 0 HD11 LEU C 242 13.941 -3.214 -4.133 1.00 43.40 H new ATOM 0 HD12 LEU C 242 14.436 -2.473 -5.673 1.00 43.40 H new ATOM 0 HD13 LEU C 242 12.720 -2.483 -5.203 1.00 43.40 H new ATOM 0 HD21 LEU C 242 12.816 -5.317 -4.083 1.00 40.32 H new ATOM 0 HD22 LEU C 242 11.510 -4.721 -5.135 1.00 40.32 H new ATOM 0 HD23 LEU C 242 12.420 -6.182 -5.587 1.00 40.32 H new ATOM 2397 N LYS C 243 12.412 -2.096 -9.559 1.00 1.11 N ATOM 2398 CA LYS C 243 12.547 -1.829 -10.966 1.00 71.13 C ATOM 2399 C LYS C 243 12.931 -3.118 -11.691 1.00 22.44 C ATOM 2400 O LYS C 243 13.953 -3.754 -11.364 1.00 0.01 O ATOM 2401 CB LYS C 243 13.543 -0.704 -11.120 1.00 52.23 C ATOM 2402 CG LYS C 243 12.960 0.583 -10.559 1.00 33.42 C ATOM 2403 CD LYS C 243 13.981 1.658 -10.326 1.00 51.12 C ATOM 2404 CE LYS C 243 14.804 1.983 -11.574 1.00 70.24 C ATOM 2405 NZ LYS C 243 15.744 3.107 -11.351 1.00 52.25 N ATOM 0 H LYS C 243 12.945 -1.464 -8.962 1.00 1.11 H new ATOM 0 HA LYS C 243 11.613 -1.504 -11.425 1.00 71.13 H new ATOM 0 HB2 LYS C 243 14.468 -0.952 -10.599 1.00 52.23 H new ATOM 0 HB3 LYS C 243 13.795 -0.571 -12.172 1.00 52.23 H new ATOM 0 HG2 LYS C 243 12.202 0.958 -11.247 1.00 33.42 H new ATOM 0 HG3 LYS C 243 12.456 0.363 -9.618 1.00 33.42 H new ATOM 0 HD2 LYS C 243 13.477 2.562 -9.985 1.00 51.12 H new ATOM 0 HD3 LYS C 243 14.652 1.346 -9.526 1.00 51.12 H new ATOM 0 HE2 LYS C 243 15.364 1.099 -11.878 1.00 70.24 H new ATOM 0 HE3 LYS C 243 14.132 2.232 -12.395 1.00 70.24 H new ATOM 0 HZ1 LYS C 243 16.279 3.290 -12.224 1.00 52.25 H new ATOM 0 HZ2 LYS C 243 15.210 3.959 -11.087 1.00 52.25 H new ATOM 0 HZ3 LYS C 243 16.404 2.861 -10.586 1.00 52.25 H new ATOM 2461 N ARG C 247 14.031 -8.587 -8.143 1.00 20.15 N ATOM 2462 CA ARG C 247 12.886 -9.334 -7.637 1.00 33.14 C ATOM 2463 C ARG C 247 11.834 -8.400 -7.083 1.00 2.12 C ATOM 2464 O ARG C 247 11.844 -7.201 -7.348 1.00 1.42 O ATOM 2465 CB ARG C 247 13.335 -10.280 -6.509 1.00 61.04 C ATOM 2466 CG ARG C 247 14.087 -9.589 -5.391 1.00 72.13 C ATOM 2467 CD ARG C 247 14.298 -10.498 -4.206 1.00 23.10 C ATOM 2468 NE ARG C 247 13.062 -10.710 -3.420 1.00 41.15 N ATOM 2469 CZ ARG C 247 13.019 -10.789 -2.068 1.00 30.54 C ATOM 2470 NH1 ARG C 247 14.131 -10.818 -1.370 1.00 54.54 N ATOM 2471 NH2 ARG C 247 11.855 -10.858 -1.433 1.00 4.30 N ATOM 0 HA ARG C 247 12.465 -9.903 -8.466 1.00 33.14 H new ATOM 0 HB2 ARG C 247 12.458 -10.774 -6.092 1.00 61.04 H new ATOM 0 HB3 ARG C 247 13.969 -11.059 -6.932 1.00 61.04 H new ATOM 0 HG2 ARG C 247 15.053 -9.246 -5.762 1.00 72.13 H new ATOM 0 HG3 ARG C 247 13.535 -8.704 -5.075 1.00 72.13 H new ATOM 0 HD2 ARG C 247 14.672 -11.461 -4.554 1.00 23.10 H new ATOM 0 HD3 ARG C 247 15.066 -10.073 -3.560 1.00 23.10 H new ATOM 0 HE ARG C 247 12.184 -10.803 -3.930 1.00 41.15 H new ATOM 0 HH11 ARG C 247 15.033 -10.781 -1.845 1.00 54.54 H new ATOM 0 HH12 ARG C 247 14.093 -10.877 -0.352 1.00 54.54 H new ATOM 0 HH21 ARG C 247 10.984 -10.852 -1.963 1.00 4.30 H new ATOM 0 HH22 ARG C 247 11.832 -10.917 -0.415 1.00 4.30 H new ATOM 2485 N GLN C 248 10.907 -8.967 -6.355 1.00 20.44 N ATOM 2486 CA GLN C 248 9.953 -8.211 -5.612 1.00 13.14 C ATOM 2487 C GLN C 248 10.349 -8.434 -4.179 1.00 52.30 C ATOM 2488 O GLN C 248 10.557 -9.584 -3.792 1.00 12.54 O ATOM 2489 CB GLN C 248 8.513 -8.755 -5.812 1.00 71.45 C ATOM 2490 CG GLN C 248 8.018 -8.863 -7.263 1.00 42.04 C ATOM 2491 CD GLN C 248 8.701 -9.956 -8.076 1.00 74.01 C ATOM 2492 OE1 GLN C 248 9.129 -10.993 -7.536 1.00 24.52 O ATOM 2493 NE2 GLN C 248 8.817 -9.740 -9.357 1.00 15.55 N ATOM 0 H GLN C 248 10.799 -9.977 -6.266 1.00 20.44 H new ATOM 0 HA GLN C 248 9.948 -7.166 -5.920 1.00 13.14 H new ATOM 0 HB2 GLN C 248 8.455 -9.744 -5.357 1.00 71.45 H new ATOM 0 HB3 GLN C 248 7.825 -8.111 -5.264 1.00 71.45 H new ATOM 0 HG2 GLN C 248 6.944 -9.048 -7.256 1.00 42.04 H new ATOM 0 HG3 GLN C 248 8.173 -7.905 -7.760 1.00 42.04 H new ATOM 0 HE21 GLN C 248 8.454 -8.878 -9.764 1.00 15.55 H new ATOM 0 HE22 GLN C 248 9.271 -10.433 -9.952 1.00 15.55 H new ATOM 2502 N VAL C 249 10.469 -7.406 -3.392 1.00 53.32 N ATOM 2503 CA VAL C 249 10.895 -7.621 -2.027 1.00 73.24 C ATOM 2504 C VAL C 249 9.796 -7.330 -1.071 1.00 33.33 C ATOM 2505 O VAL C 249 8.866 -6.562 -1.369 1.00 65.01 O ATOM 2506 CB VAL C 249 12.216 -6.885 -1.589 1.00 21.51 C ATOM 2507 CG1 VAL C 249 13.410 -7.284 -2.437 1.00 60.13 C ATOM 2508 CG2 VAL C 249 12.069 -5.373 -1.511 1.00 54.21 C ATOM 0 H VAL C 249 10.286 -6.437 -3.653 1.00 53.32 H new ATOM 0 HA VAL C 249 11.150 -8.680 -1.998 1.00 73.24 H new ATOM 0 HB VAL C 249 12.409 -7.226 -0.572 1.00 21.51 H new ATOM 0 HG11 VAL C 249 14.295 -6.748 -2.094 1.00 60.13 H new ATOM 0 HG12 VAL C 249 13.578 -8.357 -2.347 1.00 60.13 H new ATOM 0 HG13 VAL C 249 13.216 -7.033 -3.480 1.00 60.13 H new ATOM 0 HG21 VAL C 249 13.017 -4.931 -1.204 1.00 54.21 H new ATOM 0 HG22 VAL C 249 11.787 -4.984 -2.489 1.00 54.21 H new ATOM 0 HG23 VAL C 249 11.297 -5.119 -0.784 1.00 54.21 H new ATOM 2518 N CYS C 250 9.892 -7.911 0.051 1.00 40.45 N ATOM 2519 CA CYS C 250 8.916 -7.760 1.056 1.00 72.05 C ATOM 2520 C CYS C 250 9.539 -6.825 2.022 1.00 15.31 C ATOM 2521 O CYS C 250 10.627 -7.041 2.417 1.00 70.30 O ATOM 2522 CB CYS C 250 8.697 -9.118 1.691 1.00 74.51 C ATOM 2523 SG CYS C 250 8.386 -10.436 0.458 1.00 14.41 S ATOM 0 H CYS C 250 10.668 -8.521 0.309 1.00 40.45 H new ATOM 0 HA CYS C 250 7.954 -7.390 0.701 1.00 72.05 H new ATOM 0 HB2 CYS C 250 9.572 -9.382 2.285 1.00 74.51 H new ATOM 0 HB3 CYS C 250 7.852 -9.061 2.377 1.00 74.51 H new ATOM 2528 N ILE C 251 8.890 -5.782 2.369 1.00 42.02 N ATOM 2529 CA ILE C 251 9.536 -4.772 3.146 1.00 13.52 C ATOM 2530 C ILE C 251 9.048 -4.680 4.572 1.00 73.52 C ATOM 2531 O ILE C 251 7.870 -4.927 4.866 1.00 54.35 O ATOM 2532 CB ILE C 251 9.445 -3.423 2.404 1.00 62.14 C ATOM 2533 CG1 ILE C 251 10.204 -3.551 1.102 1.00 73.21 C ATOM 2534 CG2 ILE C 251 9.995 -2.276 3.225 1.00 34.13 C ATOM 2535 CD1 ILE C 251 10.178 -2.338 0.265 1.00 24.23 C ATOM 0 H ILE C 251 7.915 -5.595 2.134 1.00 42.02 H new ATOM 0 HA ILE C 251 10.583 -5.059 3.247 1.00 13.52 H new ATOM 0 HB ILE C 251 8.395 -3.194 2.219 1.00 62.14 H new ATOM 0 HG12 ILE C 251 11.241 -3.804 1.322 1.00 73.21 H new ATOM 0 HG13 ILE C 251 9.787 -4.381 0.532 1.00 73.21 H new ATOM 0 HG21 ILE C 251 9.908 -1.349 2.659 1.00 34.13 H new ATOM 0 HG22 ILE C 251 9.430 -2.189 4.153 1.00 34.13 H new ATOM 0 HG23 ILE C 251 11.044 -2.464 3.455 1.00 34.13 H new ATOM 0 HD11 ILE C 251 10.745 -2.514 -0.649 1.00 24.23 H new ATOM 0 HD12 ILE C 251 9.147 -2.094 0.011 1.00 24.23 H new ATOM 0 HD13 ILE C 251 10.623 -1.508 0.814 1.00 24.23 H new ATOM 2547 N ASP C 252 10.004 -4.379 5.452 1.00 50.12 N ATOM 2548 CA ASP C 252 9.791 -4.131 6.843 1.00 12.01 C ATOM 2549 C ASP C 252 8.902 -2.891 6.963 1.00 3.41 C ATOM 2550 O ASP C 252 9.322 -1.779 6.629 1.00 60.50 O ATOM 2551 CB ASP C 252 11.179 -3.887 7.491 1.00 43.02 C ATOM 2552 CG ASP C 252 11.156 -3.605 8.975 1.00 5.12 C ATOM 2553 OD1 ASP C 252 10.773 -2.511 9.356 1.00 3.24 O ATOM 2554 OD2 ASP C 252 11.550 -4.499 9.773 1.00 34.23 O ATOM 0 H ASP C 252 10.985 -4.303 5.183 1.00 50.12 H new ATOM 0 HA ASP C 252 9.304 -4.967 7.345 1.00 12.01 H new ATOM 0 HB2 ASP C 252 11.804 -4.762 7.313 1.00 43.02 H new ATOM 0 HB3 ASP C 252 11.656 -3.047 6.985 1.00 43.02 H new ATOM 2559 N PRO C 253 7.653 -3.064 7.408 1.00 0.14 N ATOM 2560 CA PRO C 253 6.672 -1.963 7.505 1.00 74.23 C ATOM 2561 C PRO C 253 6.913 -1.084 8.727 1.00 54.21 C ATOM 2562 O PRO C 253 6.004 -0.420 9.233 1.00 51.34 O ATOM 2563 CB PRO C 253 5.352 -2.710 7.641 1.00 60.44 C ATOM 2564 CG PRO C 253 5.708 -3.985 8.331 1.00 2.43 C ATOM 2565 CD PRO C 253 7.080 -4.350 7.853 1.00 72.02 C ATOM 0 HA PRO C 253 6.718 -1.283 6.654 1.00 74.23 H new ATOM 0 HB2 PRO C 253 4.629 -2.135 8.220 1.00 60.44 H new ATOM 0 HB3 PRO C 253 4.902 -2.899 6.667 1.00 60.44 H new ATOM 0 HG2 PRO C 253 5.694 -3.859 9.414 1.00 2.43 H new ATOM 0 HG3 PRO C 253 4.991 -4.770 8.092 1.00 2.43 H new ATOM 0 HD2 PRO C 253 7.675 -4.799 8.649 1.00 72.02 H new ATOM 0 HD3 PRO C 253 7.040 -5.073 7.038 1.00 72.02 H new ATOM 2573 N LYS C 254 8.136 -1.098 9.187 1.00 2.34 N ATOM 2574 CA LYS C 254 8.558 -0.354 10.319 1.00 21.32 C ATOM 2575 C LYS C 254 9.749 0.562 9.942 1.00 13.23 C ATOM 2576 O LYS C 254 10.277 1.299 10.789 1.00 23.20 O ATOM 2577 CB LYS C 254 8.969 -1.350 11.373 1.00 33.40 C ATOM 2578 CG LYS C 254 7.848 -2.323 11.761 1.00 4.53 C ATOM 2579 CD LYS C 254 8.364 -3.472 12.613 1.00 75.34 C ATOM 2580 CE LYS C 254 9.282 -4.369 11.792 1.00 11.32 C ATOM 2581 NZ LYS C 254 9.901 -5.431 12.593 1.00 32.43 N ATOM 0 H LYS C 254 8.882 -1.649 8.762 1.00 2.34 H new ATOM 0 HA LYS C 254 7.756 0.286 10.687 1.00 21.32 H new ATOM 0 HB2 LYS C 254 9.825 -1.919 11.011 1.00 33.40 H new ATOM 0 HB3 LYS C 254 9.297 -0.812 12.262 1.00 33.40 H new ATOM 0 HG2 LYS C 254 7.073 -1.785 12.308 1.00 4.53 H new ATOM 0 HG3 LYS C 254 7.384 -2.720 10.858 1.00 4.53 H new ATOM 0 HD2 LYS C 254 8.903 -3.080 13.475 1.00 75.34 H new ATOM 0 HD3 LYS C 254 7.526 -4.053 12.998 1.00 75.34 H new ATOM 0 HE2 LYS C 254 8.712 -4.818 10.979 1.00 11.32 H new ATOM 0 HE3 LYS C 254 10.064 -3.762 11.336 1.00 11.32 H new ATOM 0 HZ1 LYS C 254 10.074 -6.262 11.993 1.00 32.43 H new ATOM 0 HZ2 LYS C 254 10.804 -5.091 12.982 1.00 32.43 H new ATOM 0 HZ3 LYS C 254 9.265 -5.693 13.373 1.00 32.43 H new ATOM 2595 N LEU C 255 10.178 0.495 8.674 1.00 45.24 N ATOM 2596 CA LEU C 255 11.260 1.328 8.156 1.00 61.34 C ATOM 2597 C LEU C 255 10.925 2.805 8.136 1.00 73.12 C ATOM 2598 O LEU C 255 9.829 3.192 7.780 1.00 74.02 O ATOM 2599 CB LEU C 255 11.579 0.919 6.750 1.00 34.23 C ATOM 2600 CG LEU C 255 12.201 -0.427 6.566 1.00 15.41 C ATOM 2601 CD1 LEU C 255 12.304 -0.728 5.102 1.00 42.43 C ATOM 2602 CD2 LEU C 255 13.569 -0.448 7.189 1.00 53.33 C ATOM 0 H LEU C 255 9.781 -0.140 7.982 1.00 45.24 H new ATOM 0 HA LEU C 255 12.105 1.179 8.829 1.00 61.34 H new ATOM 0 HB2 LEU C 255 10.657 0.950 6.170 1.00 34.23 H new ATOM 0 HB3 LEU C 255 12.250 1.665 6.323 1.00 34.23 H new ATOM 0 HG LEU C 255 11.582 -1.182 7.050 1.00 15.41 H new ATOM 0 HD11 LEU C 255 12.757 -1.709 4.963 1.00 42.43 H new ATOM 0 HD12 LEU C 255 11.308 -0.722 4.658 1.00 42.43 H new ATOM 0 HD13 LEU C 255 12.921 0.029 4.618 1.00 42.43 H new ATOM 0 HD21 LEU C 255 14.017 -1.432 7.051 1.00 53.33 H new ATOM 0 HD22 LEU C 255 14.197 0.306 6.714 1.00 53.33 H new ATOM 0 HD23 LEU C 255 13.487 -0.233 8.254 1.00 53.33 H new ATOM 2614 N LYS C 256 11.916 3.623 8.463 1.00 4.21 N ATOM 2615 CA LYS C 256 11.796 5.081 8.444 1.00 31.35 C ATOM 2616 C LYS C 256 11.220 5.614 7.124 1.00 23.23 C ATOM 2617 O LYS C 256 10.263 6.381 7.143 1.00 23.40 O ATOM 2618 CB LYS C 256 13.158 5.736 8.801 1.00 64.22 C ATOM 2619 CG LYS C 256 13.273 7.259 8.570 1.00 2.04 C ATOM 2620 CD LYS C 256 12.165 8.078 9.232 1.00 41.23 C ATOM 2621 CE LYS C 256 12.089 7.909 10.736 1.00 54.00 C ATOM 2622 NZ LYS C 256 11.000 8.740 11.299 1.00 43.30 N ATOM 0 H LYS C 256 12.837 3.293 8.752 1.00 4.21 H new ATOM 0 HA LYS C 256 11.072 5.363 9.208 1.00 31.35 H new ATOM 0 HB2 LYS C 256 13.369 5.534 9.851 1.00 64.22 H new ATOM 0 HB3 LYS C 256 13.936 5.243 8.219 1.00 64.22 H new ATOM 0 HG2 LYS C 256 14.237 7.601 8.947 1.00 2.04 H new ATOM 0 HG3 LYS C 256 13.263 7.454 7.498 1.00 2.04 H new ATOM 0 HD2 LYS C 256 12.320 9.132 9.002 1.00 41.23 H new ATOM 0 HD3 LYS C 256 11.207 7.794 8.796 1.00 41.23 H new ATOM 0 HE2 LYS C 256 11.918 6.861 10.982 1.00 54.00 H new ATOM 0 HE3 LYS C 256 13.040 8.191 11.188 1.00 54.00 H new ATOM 0 HZ1 LYS C 256 10.985 8.638 12.334 1.00 43.30 H new ATOM 0 HZ2 LYS C 256 11.161 9.737 11.052 1.00 43.30 H new ATOM 0 HZ3 LYS C 256 10.088 8.429 10.907 1.00 43.30 H new ATOM 2636 N TRP C 257 11.768 5.190 5.989 1.00 34.22 N ATOM 2637 CA TRP C 257 11.257 5.671 4.706 1.00 25.33 C ATOM 2638 C TRP C 257 9.829 5.202 4.443 1.00 63.22 C ATOM 2639 O TRP C 257 9.079 5.866 3.739 1.00 21.32 O ATOM 2640 CB TRP C 257 12.197 5.374 3.514 1.00 60.45 C ATOM 2641 CG TRP C 257 12.486 3.926 3.240 1.00 34.22 C ATOM 2642 CD1 TRP C 257 13.387 3.126 3.875 1.00 12.04 C ATOM 2643 CD2 TRP C 257 11.888 3.119 2.216 1.00 32.44 C ATOM 2644 NE1 TRP C 257 13.377 1.872 3.321 1.00 22.31 N ATOM 2645 CE2 TRP C 257 12.463 1.842 2.299 1.00 30.12 C ATOM 2646 CE3 TRP C 257 10.917 3.357 1.247 1.00 24.21 C ATOM 2647 CZ2 TRP C 257 12.097 0.805 1.438 1.00 31.34 C ATOM 2648 CZ3 TRP C 257 10.560 2.331 0.398 1.00 14.02 C ATOM 2649 CH2 TRP C 257 11.146 1.073 0.500 1.00 71.44 C ATOM 0 H TRP C 257 12.545 4.532 5.928 1.00 34.22 H new ATOM 0 HA TRP C 257 11.229 6.757 4.792 1.00 25.33 H new ATOM 0 HB2 TRP C 257 11.760 5.812 2.616 1.00 60.45 H new ATOM 0 HB3 TRP C 257 13.144 5.885 3.689 1.00 60.45 H new ATOM 0 HD1 TRP C 257 14.018 3.435 4.696 1.00 12.04 H new ATOM 0 HE1 TRP C 257 13.956 1.088 3.621 1.00 22.31 H new ATOM 0 HE3 TRP C 257 10.452 4.328 1.162 1.00 24.21 H new ATOM 0 HZ2 TRP C 257 12.551 -0.172 1.513 1.00 31.34 H new ATOM 0 HZ3 TRP C 257 9.812 2.507 -0.360 1.00 14.02 H new ATOM 0 HH2 TRP C 257 10.840 0.291 -0.180 1.00 71.44 H new ATOM 2660 N ILE C 258 9.466 4.068 5.023 1.00 50.05 N ATOM 2661 CA ILE C 258 8.127 3.520 4.896 1.00 14.11 C ATOM 2662 C ILE C 258 7.133 4.310 5.762 1.00 73.51 C ATOM 2663 O ILE C 258 6.087 4.746 5.273 1.00 22.41 O ATOM 2664 CB ILE C 258 8.087 2.007 5.296 1.00 64.53 C ATOM 2665 CG1 ILE C 258 8.935 1.149 4.342 1.00 32.42 C ATOM 2666 CG2 ILE C 258 6.658 1.483 5.352 1.00 3.12 C ATOM 2667 CD1 ILE C 258 8.447 1.149 2.916 1.00 21.14 C ATOM 0 H ILE C 258 10.093 3.502 5.595 1.00 50.05 H new ATOM 0 HA ILE C 258 7.838 3.607 3.848 1.00 14.11 H new ATOM 0 HB ILE C 258 8.517 1.930 6.295 1.00 64.53 H new ATOM 0 HG12 ILE C 258 9.963 1.510 4.363 1.00 32.42 H new ATOM 0 HG13 ILE C 258 8.950 0.123 4.710 1.00 32.42 H new ATOM 0 HG21 ILE C 258 6.667 0.430 5.633 1.00 3.12 H new ATOM 0 HG22 ILE C 258 6.091 2.050 6.090 1.00 3.12 H new ATOM 0 HG23 ILE C 258 6.191 1.594 4.373 1.00 3.12 H new ATOM 0 HD11 ILE C 258 9.099 0.521 2.308 1.00 21.14 H new ATOM 0 HD12 ILE C 258 7.430 0.759 2.880 1.00 21.14 H new ATOM 0 HD13 ILE C 258 8.459 2.167 2.527 1.00 21.14 H new ATOM 2679 N GLN C 259 7.472 4.489 7.038 1.00 2.43 N ATOM 2680 CA GLN C 259 6.592 5.155 7.997 1.00 75.44 C ATOM 2681 C GLN C 259 6.202 6.549 7.545 1.00 60.01 C ATOM 2682 O GLN C 259 5.015 6.894 7.525 1.00 20.41 O ATOM 2683 CB GLN C 259 7.220 5.236 9.405 1.00 60.21 C ATOM 2684 CG GLN C 259 7.822 3.932 9.906 1.00 50.21 C ATOM 2685 CD GLN C 259 6.972 2.730 9.592 1.00 34.51 C ATOM 2686 OE1 GLN C 259 7.128 2.119 8.553 1.00 13.41 O ATOM 2687 NE2 GLN C 259 6.092 2.377 10.450 1.00 52.03 N ATOM 0 H GLN C 259 8.359 4.178 7.434 1.00 2.43 H new ATOM 0 HA GLN C 259 5.694 4.539 8.047 1.00 75.44 H new ATOM 0 HB2 GLN C 259 7.997 6.001 9.399 1.00 60.21 H new ATOM 0 HB3 GLN C 259 6.456 5.563 10.111 1.00 60.21 H new ATOM 0 HG2 GLN C 259 8.808 3.799 9.460 1.00 50.21 H new ATOM 0 HG3 GLN C 259 7.966 3.996 10.985 1.00 50.21 H new ATOM 0 HE21 GLN C 259 5.981 2.907 11.314 1.00 52.03 H new ATOM 0 HE22 GLN C 259 5.501 1.565 10.270 1.00 52.03 H new ATOM 2696 N GLU C 260 7.187 7.345 7.156 1.00 4.22 N ATOM 2697 CA GLU C 260 6.928 8.705 6.753 1.00 54.43 C ATOM 2698 C GLU C 260 6.091 8.714 5.468 1.00 42.04 C ATOM 2699 O GLU C 260 5.237 9.573 5.279 1.00 50.41 O ATOM 2700 CB GLU C 260 8.230 9.453 6.514 1.00 2.52 C ATOM 2701 CG GLU C 260 9.288 9.301 7.604 1.00 71.23 C ATOM 2702 CD GLU C 260 8.820 9.620 9.014 1.00 51.05 C ATOM 2703 OE1 GLU C 260 8.623 10.804 9.341 1.00 31.13 O ATOM 2704 OE2 GLU C 260 8.689 8.682 9.830 1.00 2.45 O ATOM 0 H GLU C 260 8.167 7.067 7.113 1.00 4.22 H new ATOM 0 HA GLU C 260 6.380 9.203 7.553 1.00 54.43 H new ATOM 0 HB2 GLU C 260 8.655 9.113 5.570 1.00 2.52 H new ATOM 0 HB3 GLU C 260 8.003 10.513 6.398 1.00 2.52 H new ATOM 0 HG2 GLU C 260 9.660 8.277 7.586 1.00 71.23 H new ATOM 0 HG3 GLU C 260 10.130 9.950 7.363 1.00 71.23 H new ATOM 2711 N TYR C 261 6.334 7.718 4.617 1.00 63.40 N ATOM 2712 CA TYR C 261 5.649 7.553 3.337 1.00 75.41 C ATOM 2713 C TYR C 261 4.156 7.281 3.565 1.00 12.45 C ATOM 2714 O TYR C 261 3.294 7.897 2.921 1.00 62.44 O ATOM 2715 CB TYR C 261 6.291 6.390 2.571 1.00 30.20 C ATOM 2716 CG TYR C 261 5.763 6.130 1.177 1.00 52.41 C ATOM 2717 CD1 TYR C 261 4.676 5.291 0.964 1.00 21.23 C ATOM 2718 CD2 TYR C 261 6.379 6.696 0.073 1.00 51.04 C ATOM 2719 CE1 TYR C 261 4.223 5.023 -0.308 1.00 41.11 C ATOM 2720 CE2 TYR C 261 5.925 6.438 -1.201 1.00 45.03 C ATOM 2721 CZ TYR C 261 4.852 5.597 -1.387 1.00 72.51 C ATOM 2722 OH TYR C 261 4.414 5.322 -2.666 1.00 3.13 O ATOM 0 H TYR C 261 7.025 6.991 4.802 1.00 63.40 H new ATOM 0 HA TYR C 261 5.744 8.468 2.753 1.00 75.41 H new ATOM 0 HB2 TYR C 261 7.363 6.577 2.501 1.00 30.20 H new ATOM 0 HB3 TYR C 261 6.164 5.481 3.160 1.00 30.20 H new ATOM 0 HD1 TYR C 261 4.178 4.842 1.811 1.00 21.23 H new ATOM 0 HD2 TYR C 261 7.228 7.349 0.214 1.00 51.04 H new ATOM 0 HE1 TYR C 261 3.379 4.366 -0.457 1.00 41.11 H new ATOM 0 HE2 TYR C 261 6.410 6.894 -2.052 1.00 45.03 H new ATOM 0 HH TYR C 261 3.444 5.452 -2.714 1.00 3.13 H new ATOM 2732 N LEU C 262 3.864 6.366 4.478 1.00 60.25 N ATOM 2733 CA LEU C 262 2.484 6.030 4.826 1.00 21.25 C ATOM 2734 C LEU C 262 1.801 7.249 5.405 1.00 74.33 C ATOM 2735 O LEU C 262 0.720 7.644 4.969 1.00 53.52 O ATOM 2736 CB LEU C 262 2.457 4.901 5.866 1.00 12.31 C ATOM 2737 CG LEU C 262 3.077 3.573 5.448 1.00 25.23 C ATOM 2738 CD1 LEU C 262 3.066 2.590 6.611 1.00 5.12 C ATOM 2739 CD2 LEU C 262 2.332 2.984 4.266 1.00 1.04 C ATOM 0 H LEU C 262 4.566 5.838 4.996 1.00 60.25 H new ATOM 0 HA LEU C 262 1.965 5.701 3.926 1.00 21.25 H new ATOM 0 HB2 LEU C 262 2.971 5.250 6.761 1.00 12.31 H new ATOM 0 HB3 LEU C 262 1.419 4.720 6.145 1.00 12.31 H new ATOM 0 HG LEU C 262 4.110 3.758 5.153 1.00 25.23 H new ATOM 0 HD11 LEU C 262 3.512 1.647 6.295 1.00 5.12 H new ATOM 0 HD12 LEU C 262 3.639 3.002 7.441 1.00 5.12 H new ATOM 0 HD13 LEU C 262 2.039 2.416 6.930 1.00 5.12 H new ATOM 0 HD21 LEU C 262 2.790 2.036 3.983 1.00 1.04 H new ATOM 0 HD22 LEU C 262 1.290 2.816 4.539 1.00 1.04 H new ATOM 0 HD23 LEU C 262 2.379 3.676 3.425 1.00 1.04 H new ATOM 2751 N GLU C 263 2.465 7.848 6.370 1.00 43.24 N ATOM 2752 CA GLU C 263 1.987 9.013 7.066 1.00 1.50 C ATOM 2753 C GLU C 263 1.767 10.202 6.075 1.00 72.11 C ATOM 2754 O GLU C 263 0.866 11.016 6.259 1.00 33.04 O ATOM 2755 CB GLU C 263 3.033 9.335 8.147 1.00 42.33 C ATOM 2756 CG GLU C 263 2.600 10.207 9.316 1.00 1.14 C ATOM 2757 CD GLU C 263 2.251 11.637 8.973 1.00 31.12 C ATOM 2758 OE1 GLU C 263 3.137 12.382 8.505 1.00 61.25 O ATOM 2759 OE2 GLU C 263 1.102 12.054 9.212 1.00 35.52 O ATOM 0 H GLU C 263 3.376 7.526 6.697 1.00 43.24 H new ATOM 0 HA GLU C 263 1.016 8.835 7.528 1.00 1.50 H new ATOM 0 HB2 GLU C 263 3.399 8.391 8.551 1.00 42.33 H new ATOM 0 HB3 GLU C 263 3.878 9.822 7.661 1.00 42.33 H new ATOM 0 HG2 GLU C 263 1.734 9.744 9.789 1.00 1.14 H new ATOM 0 HG3 GLU C 263 3.401 10.215 10.056 1.00 1.14 H new ATOM 2766 N LYS C 264 2.563 10.281 5.005 1.00 70.05 N ATOM 2767 CA LYS C 264 2.401 11.375 4.075 1.00 70.31 C ATOM 2768 C LYS C 264 1.201 11.209 3.140 1.00 64.52 C ATOM 2769 O LYS C 264 0.473 12.132 2.955 1.00 52.01 O ATOM 2770 CB LYS C 264 3.724 11.783 3.364 1.00 3.32 C ATOM 2771 CG LYS C 264 4.399 10.775 2.416 1.00 60.33 C ATOM 2772 CD LYS C 264 3.727 10.654 1.054 1.00 53.50 C ATOM 2773 CE LYS C 264 3.720 11.980 0.309 1.00 31.22 C ATOM 2774 NZ LYS C 264 5.078 12.531 0.079 1.00 61.54 N ATOM 0 H LYS C 264 3.302 9.617 4.775 1.00 70.05 H new ATOM 0 HA LYS C 264 2.145 12.242 4.684 1.00 70.31 H new ATOM 0 HB2 LYS C 264 3.526 12.690 2.794 1.00 3.32 H new ATOM 0 HB3 LYS C 264 4.447 12.044 4.137 1.00 3.32 H new ATOM 0 HG2 LYS C 264 5.439 11.069 2.271 1.00 60.33 H new ATOM 0 HG3 LYS C 264 4.408 9.795 2.893 1.00 60.33 H new ATOM 0 HD2 LYS C 264 4.247 9.904 0.457 1.00 53.50 H new ATOM 0 HD3 LYS C 264 2.703 10.304 1.184 1.00 53.50 H new ATOM 0 HE2 LYS C 264 3.222 11.847 -0.651 1.00 31.22 H new ATOM 0 HE3 LYS C 264 3.133 12.704 0.875 1.00 31.22 H new ATOM 0 HZ1 LYS C 264 5.013 13.370 -0.533 1.00 61.54 H new ATOM 0 HZ2 LYS C 264 5.503 12.799 0.990 1.00 61.54 H new ATOM 0 HZ3 LYS C 264 5.671 11.811 -0.381 1.00 61.54 H new ATOM 2788 N CYS C 265 0.992 10.015 2.590 1.00 42.15 N ATOM 2789 CA CYS C 265 -0.198 9.731 1.722 1.00 52.43 C ATOM 2790 C CYS C 265 -1.519 9.883 2.504 1.00 72.11 C ATOM 2791 O CYS C 265 -2.568 10.124 1.913 1.00 34.25 O ATOM 2792 CB CYS C 265 -0.093 8.318 1.068 1.00 13.20 C ATOM 2793 SG CYS C 265 -1.542 7.764 0.089 1.00 75.12 S ATOM 0 H CYS C 265 1.616 9.218 2.716 1.00 42.15 H new ATOM 0 HA CYS C 265 -0.203 10.472 0.922 1.00 52.43 H new ATOM 0 HB2 CYS C 265 0.783 8.306 0.419 1.00 13.20 H new ATOM 0 HB3 CYS C 265 0.085 7.588 1.858 1.00 13.20 H new ATOM 2798 N LEU C 266 -1.422 9.784 3.841 1.00 42.31 N ATOM 2799 CA LEU C 266 -2.548 9.881 4.761 1.00 41.52 C ATOM 2800 C LEU C 266 -3.307 11.224 4.518 1.00 11.35 C ATOM 2801 O LEU C 266 -4.531 11.259 4.488 1.00 11.14 O ATOM 2802 CB LEU C 266 -1.959 9.789 6.208 1.00 22.00 C ATOM 2803 CG LEU C 266 -2.884 9.484 7.413 1.00 65.12 C ATOM 2804 CD1 LEU C 266 -3.909 10.541 7.653 1.00 3.44 C ATOM 2805 CD2 LEU C 266 -3.544 8.144 7.257 1.00 33.24 C ATOM 0 H LEU C 266 -0.532 9.630 4.315 1.00 42.31 H new ATOM 0 HA LEU C 266 -3.271 9.080 4.611 1.00 41.52 H new ATOM 0 HB2 LEU C 266 -1.186 9.021 6.193 1.00 22.00 H new ATOM 0 HB3 LEU C 266 -1.463 10.737 6.415 1.00 22.00 H new ATOM 0 HG LEU C 266 -2.239 9.468 8.291 1.00 65.12 H new ATOM 0 HD11 LEU C 266 -4.523 10.265 8.510 1.00 3.44 H new ATOM 0 HD12 LEU C 266 -3.413 11.491 7.853 1.00 3.44 H new ATOM 0 HD13 LEU C 266 -4.542 10.641 6.771 1.00 3.44 H new ATOM 0 HD21 LEU C 266 -4.188 7.953 8.116 1.00 33.24 H new ATOM 0 HD22 LEU C 266 -4.142 8.137 6.346 1.00 33.24 H new ATOM 0 HD23 LEU C 266 -2.781 7.368 7.196 1.00 33.24 H new ATOM 2817 N ASN C 267 -2.569 12.303 4.341 1.00 1.13 N ATOM 2818 CA ASN C 267 -3.187 13.612 4.046 1.00 15.42 C ATOM 2819 C ASN C 267 -2.716 14.115 2.702 1.00 61.04 C ATOM 2820 O ASN C 267 -3.510 14.528 1.853 1.00 70.14 O ATOM 2821 CB ASN C 267 -2.897 14.658 5.143 1.00 14.54 C ATOM 2822 CG ASN C 267 -3.510 14.325 6.489 1.00 70.22 C ATOM 2823 OD1 ASN C 267 -2.912 13.633 7.311 1.00 14.04 O ATOM 2824 ND2 ASN C 267 -4.684 14.848 6.742 1.00 33.12 N ATOM 0 H ASN C 267 -1.550 12.316 4.393 1.00 1.13 H new ATOM 0 HA ASN C 267 -4.267 13.465 4.022 1.00 15.42 H new ATOM 0 HB2 ASN C 267 -1.818 14.756 5.261 1.00 14.54 H new ATOM 0 HB3 ASN C 267 -3.271 15.628 4.814 1.00 14.54 H new ATOM 0 HD21 ASN C 267 -5.131 14.686 7.645 1.00 33.12 H new ATOM 0 HD22 ASN C 267 -5.152 15.417 6.036 1.00 33.12 H new ATOM 3120 N GLY D 319 13.216 -13.168 3.334 1.00 73.20 N ATOM 3121 CA GLY D 319 13.716 -11.844 3.598 1.00 64.10 C ATOM 3122 C GLY D 319 15.178 -11.806 3.964 1.00 2.40 C ATOM 3123 O GLY D 319 15.709 -12.743 4.584 1.00 74.42 O ATOM 0 HA2 GLY D 319 13.556 -11.223 2.717 1.00 64.10 H new ATOM 0 HA3 GLY D 319 13.137 -11.402 4.409 1.00 64.10 H new ATOM 3127 N ASP D 320 15.824 -10.734 3.570 1.00 1.11 N ATOM 3128 CA ASP D 320 17.225 -10.461 3.866 1.00 15.50 C ATOM 3129 C ASP D 320 17.356 -8.920 3.880 1.00 61.33 C ATOM 3130 O ASP D 320 16.368 -8.250 4.140 1.00 73.54 O ATOM 3131 CB ASP D 320 18.094 -11.068 2.770 1.00 34.45 C ATOM 3132 CG ASP D 320 19.576 -11.125 3.105 1.00 20.23 C ATOM 3133 OD1 ASP D 320 20.307 -10.152 2.826 1.00 0.12 O ATOM 3134 OD2 ASP D 320 20.028 -12.137 3.647 1.00 52.10 O ATOM 0 H ASP D 320 15.382 -10.000 3.017 1.00 1.11 H new ATOM 0 HA ASP D 320 17.544 -10.889 4.816 1.00 15.50 H new ATOM 0 HB2 ASP D 320 17.742 -12.078 2.561 1.00 34.45 H new ATOM 0 HB3 ASP D 320 17.962 -10.489 1.856 1.00 34.45 H new ATOM 3163 N ASP D 322 19.252 -6.786 6.002 1.00 55.44 N ATOM 3164 CA ASP D 322 19.010 -6.581 7.446 1.00 42.42 C ATOM 3165 C ASP D 322 17.882 -7.466 7.897 1.00 42.11 C ATOM 3166 O ASP D 322 18.061 -8.335 8.759 1.00 54.12 O ATOM 3167 CB ASP D 322 18.744 -5.128 7.842 1.00 63.54 C ATOM 3168 CG ASP D 322 19.947 -4.230 7.748 1.00 60.13 C ATOM 3169 OD1 ASP D 322 20.714 -4.140 8.732 1.00 52.24 O ATOM 3170 OD2 ASP D 322 20.146 -3.604 6.708 1.00 64.33 O ATOM 0 HA ASP D 322 19.935 -6.852 7.954 1.00 42.42 H new ATOM 0 HB2 ASP D 322 17.956 -4.728 7.204 1.00 63.54 H new ATOM 0 HB3 ASP D 322 18.368 -5.106 8.865 1.00 63.54 H new ATOM 3175 N SER D 323 16.726 -7.245 7.294 1.00 44.22 N ATOM 3176 CA SER D 323 15.556 -8.051 7.460 1.00 40.33 C ATOM 3177 C SER D 323 14.958 -7.938 8.897 1.00 50.20 C ATOM 3178 O SER D 323 14.253 -8.837 9.371 1.00 51.21 O ATOM 3179 CB SER D 323 15.893 -9.511 7.021 1.00 5.21 C ATOM 3180 OG SER D 323 14.779 -10.382 7.086 1.00 34.24 O ATOM 0 H SER D 323 16.585 -6.465 6.652 1.00 44.22 H new ATOM 0 HA SER D 323 14.757 -7.683 6.817 1.00 40.33 H new ATOM 0 HB2 SER D 323 16.277 -9.498 6.001 1.00 5.21 H new ATOM 0 HB3 SER D 323 16.689 -9.900 7.656 1.00 5.21 H new ATOM 0 HG SER D 323 13.997 -9.943 6.692 1.00 34.24 H new ATOM 3186 N MET D 324 15.200 -6.788 9.551 1.00 1.05 N ATOM 3187 CA MET D 324 14.680 -6.527 10.898 1.00 63.51 C ATOM 3188 C MET D 324 14.920 -5.072 11.351 1.00 54.13 C ATOM 3189 O MET D 324 16.056 -4.667 11.621 1.00 73.20 O ATOM 3190 CB MET D 324 15.250 -7.508 11.950 1.00 74.43 C ATOM 3191 CG MET D 324 16.767 -7.513 12.072 1.00 44.43 C ATOM 3192 SD MET D 324 17.354 -8.552 13.422 1.00 3.20 S ATOM 3193 CE MET D 324 16.582 -7.742 14.827 1.00 23.43 C ATOM 0 H MET D 324 15.755 -6.025 9.164 1.00 1.05 H new ATOM 0 HA MET D 324 13.604 -6.688 10.830 1.00 63.51 H new ATOM 0 HB2 MET D 324 14.824 -7.262 12.922 1.00 74.43 H new ATOM 0 HB3 MET D 324 14.917 -8.516 11.702 1.00 74.43 H new ATOM 0 HG2 MET D 324 17.201 -7.862 11.135 1.00 44.43 H new ATOM 0 HG3 MET D 324 17.118 -6.493 12.225 1.00 44.43 H new ATOM 0 HE1 MET D 324 17.159 -7.949 15.728 1.00 23.43 H new ATOM 0 HE2 MET D 324 16.551 -6.666 14.655 1.00 23.43 H new ATOM 0 HE3 MET D 324 15.567 -8.119 14.952 1.00 23.43 H new ATOM 3203 N LYS D 325 13.866 -4.291 11.390 1.00 13.22 N ATOM 3204 CA LYS D 325 13.905 -2.925 11.913 1.00 65.24 C ATOM 3205 C LYS D 325 12.678 -2.718 12.816 1.00 22.22 C ATOM 3206 O LYS D 325 11.997 -3.692 13.156 1.00 0.23 O ATOM 3207 CB LYS D 325 13.896 -1.924 10.754 1.00 75.43 C ATOM 3208 CG LYS D 325 15.096 -1.994 9.843 1.00 42.25 C ATOM 3209 CD LYS D 325 16.356 -1.484 10.496 1.00 73.54 C ATOM 3210 CE LYS D 325 17.483 -1.552 9.502 1.00 31.02 C ATOM 3211 NZ LYS D 325 18.722 -0.907 9.992 1.00 64.22 N ATOM 0 H LYS D 325 12.945 -4.578 11.059 1.00 13.22 H new ATOM 0 HA LYS D 325 14.816 -2.766 12.491 1.00 65.24 H new ATOM 0 HB2 LYS D 325 12.997 -2.087 10.159 1.00 75.43 H new ATOM 0 HB3 LYS D 325 13.828 -0.916 11.164 1.00 75.43 H new ATOM 0 HG2 LYS D 325 15.248 -3.026 9.528 1.00 42.25 H new ATOM 0 HG3 LYS D 325 14.898 -1.412 8.943 1.00 42.25 H new ATOM 0 HD2 LYS D 325 16.215 -0.458 10.836 1.00 73.54 H new ATOM 0 HD3 LYS D 325 16.593 -2.082 11.376 1.00 73.54 H new ATOM 0 HE2 LYS D 325 17.691 -2.596 9.267 1.00 31.02 H new ATOM 0 HE3 LYS D 325 17.172 -1.072 8.574 1.00 31.02 H new ATOM 0 HZ1 LYS D 325 19.464 -0.984 9.267 1.00 64.22 H new ATOM 0 HZ2 LYS D 325 18.536 0.097 10.191 1.00 64.22 H new ATOM 0 HZ3 LYS D 325 19.039 -1.380 10.863 1.00 64.22 H new ATOM 3225 N GLU D 326 12.408 -1.480 13.228 1.00 61.01 N ATOM 3226 CA GLU D 326 11.238 -1.183 14.059 1.00 13.44 C ATOM 3227 C GLU D 326 10.859 0.300 13.948 1.00 43.34 C ATOM 3228 O GLU D 326 11.728 1.133 13.678 1.00 43.31 O ATOM 3229 CB GLU D 326 11.456 -1.605 15.519 1.00 10.54 C ATOM 3230 CG GLU D 326 12.588 -0.912 16.245 1.00 23.24 C ATOM 3231 CD GLU D 326 12.743 -1.442 17.643 1.00 45.11 C ATOM 3232 OE1 GLU D 326 11.999 -0.992 18.560 1.00 44.42 O ATOM 3233 OE2 GLU D 326 13.582 -2.333 17.854 1.00 20.33 O ATOM 0 H GLU D 326 12.981 -0.667 13.002 1.00 61.01 H new ATOM 0 HA GLU D 326 10.402 -1.773 13.683 1.00 13.44 H new ATOM 0 HB2 GLU D 326 10.533 -1.426 16.070 1.00 10.54 H new ATOM 0 HB3 GLU D 326 11.638 -2.679 15.543 1.00 10.54 H new ATOM 0 HG2 GLU D 326 13.518 -1.054 15.694 1.00 23.24 H new ATOM 0 HG3 GLU D 326 12.399 0.161 16.279 1.00 23.24 H new ATOM 3240 N PRO D 327 9.572 0.666 14.155 1.00 42.21 N ATOM 3241 CA PRO D 327 9.129 2.023 13.979 1.00 74.33 C ATOM 3242 C PRO D 327 9.259 2.850 15.252 1.00 24.35 C ATOM 3243 O PRO D 327 8.555 2.637 16.262 1.00 60.42 O ATOM 3244 CB PRO D 327 7.670 1.853 13.589 1.00 32.34 C ATOM 3245 CG PRO D 327 7.223 0.672 14.379 1.00 61.54 C ATOM 3246 CD PRO D 327 8.446 -0.203 14.585 1.00 63.42 C ATOM 0 HA PRO D 327 9.725 2.562 13.242 1.00 74.33 H new ATOM 0 HB2 PRO D 327 7.086 2.740 13.832 1.00 32.34 H new ATOM 0 HB3 PRO D 327 7.560 1.682 12.518 1.00 32.34 H new ATOM 0 HG2 PRO D 327 6.804 0.983 15.336 1.00 61.54 H new ATOM 0 HG3 PRO D 327 6.441 0.126 13.851 1.00 61.54 H new ATOM 0 HD2 PRO D 327 8.550 -0.508 15.626 1.00 63.42 H new ATOM 0 HD3 PRO D 327 8.392 -1.114 13.989 1.00 63.42 H new