USER MOD reduce.3.24.130724 H: found=0, std=0, add=1059, rem=0, adj=27 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 30 ASN : amide:sc= 1.12 K(o=1.6,f=-2.9!) USER MOD Set 1.2: C 261 TYR OH : rot -30:sc= 0.491 USER MOD Set 2.1: C 216 SER OG : rot -166:sc= 1.09 USER MOD Set 2.2: C 217 HIS : no HD1:sc= -0.0152 X(o=1.1,f=1.1) USER MOD Set 3.1: A 61 TYR OH : rot 56:sc= 0.0333 USER MOD Set 3.2: C 230 ASN :FLIP amide:sc= 0.0348 F(o=-1.9!,f=0.068) USER MOD Single : A 16 SER OG : rot 80:sc= 0.569 USER MOD Single : A 17 HIS : no HE2:sc= 0.0831 K(o=0.083,f=-1.1) USER MOD Single : A 22 ASN :FLIP amide:sc= -0.412 F(o=-3.1!,f=-0.41) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 HIS :FLIP no HD1:sc= -0.788 F(o=-1.9,f=-0.79) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 THR OG1 : rot 168:sc= 0.264 USER MOD Single : A 33 ASN : amide:sc= -0.108 X(o=-0.11,f=-0.024) USER MOD Single : A 37 GLN : amide:sc= -3.93! C(o=-3.9!,f=-15!) USER MOD Single : A 43 LYS NZ :NH3+ 128:sc= -0.24 (180deg=-0.885) USER MOD Single : A 48 GLN :FLIP amide:sc= -0.678 F(o=-1.5,f=-0.68) USER MOD Single : A 54 LYS NZ :NH3+ 179:sc= 1.02 (180deg=0.996) USER MOD Single : A 56 LYS NZ :NH3+ 164:sc= 0.947 (180deg=0.737) USER MOD Single : A 59 GLN : amide:sc= -2.04! C(o=-2!,f=-3.7!) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 ASN :FLIP amide:sc=-8.65e-05 F(o=-0.91,f=-8.6e-05) USER MOD Single : B 123 SER OG : rot 32:sc= 0.82 USER MOD Single : B 124 MET CE :methyl -140:sc= -0.145 (180deg=-0.644) USER MOD Single : B 125 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 222 ASN : amide:sc= -0.649 X(o=-0.65,f=-0.76) USER MOD Single : C 224 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 225 HIS :FLIP no HD1:sc= -0.87 F(o=-2.2,f=-0.87) USER MOD Single : C 227 LYS NZ :NH3+ 173:sc= -0.021 (180deg=-0.07) USER MOD Single : C 231 THR OG1 : rot -164:sc= 1.82 USER MOD Single : C 233 ASN :FLIP amide:sc= -0.0222 F(o=-1.1,f=-0.022) USER MOD Single : C 237 GLN : amide:sc= -4.88! C(o=-4.9!,f=-11!) USER MOD Single : C 243 LYS NZ :NH3+ 153:sc= -0.285 (180deg=-1.01!) USER MOD Single : C 248 GLN : amide:sc= -0.585! C(o=-0.59!,f=-3.3!) USER MOD Single : C 254 LYS NZ :NH3+ 178:sc= 1.03 (180deg=0.969) USER MOD Single : C 256 LYS NZ :NH3+ 172:sc=-0.00196 (180deg=-0.0987) USER MOD Single : C 259 GLN : amide:sc= -0.212 X(o=-0.21,f=-0.65) USER MOD Single : C 264 LYS NZ :NH3+ 171:sc= 0.953 (180deg=0.887) USER MOD Single : C 267 ASN :FLIP amide:sc= -0.054 F(o=-1.2!,f=-0.054) USER MOD Single : D 323 SER OG : rot 28:sc= -0.228 USER MOD Single : D 324 MET CE :methyl -161:sc= -0.0857 (180deg=-0.549) USER MOD Single : D 325 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 115 N ARG A 8 2.135 8.691 -16.505 1.00 65.52 N ATOM 116 CA ARG A 8 0.805 9.179 -16.538 1.00 64.23 C ATOM 117 C ARG A 8 0.203 8.720 -15.243 1.00 51.32 C ATOM 118 O ARG A 8 0.676 7.723 -14.681 1.00 64.21 O ATOM 119 CB ARG A 8 0.012 8.617 -17.730 1.00 53.41 C ATOM 120 CG ARG A 8 0.673 8.860 -19.080 1.00 3.03 C ATOM 121 CD ARG A 8 -0.256 8.540 -20.229 1.00 73.33 C ATOM 122 NE ARG A 8 -1.378 9.491 -20.280 1.00 40.44 N ATOM 123 CZ ARG A 8 -2.278 9.578 -21.265 1.00 3.41 C ATOM 124 NH1 ARG A 8 -2.263 8.704 -22.274 1.00 3.40 N ATOM 125 NH2 ARG A 8 -3.200 10.531 -21.229 1.00 30.41 N ATOM 0 HA ARG A 8 0.782 10.262 -16.657 1.00 64.23 H new ATOM 0 HB2 ARG A 8 -0.123 7.544 -17.591 1.00 53.41 H new ATOM 0 HB3 ARG A 8 -0.981 9.065 -17.737 1.00 53.41 H new ATOM 0 HG2 ARG A 8 0.988 9.901 -19.147 1.00 3.03 H new ATOM 0 HG3 ARG A 8 1.572 8.249 -19.159 1.00 3.03 H new ATOM 0 HD2 ARG A 8 0.296 8.573 -21.168 1.00 73.33 H new ATOM 0 HD3 ARG A 8 -0.639 7.525 -20.120 1.00 73.33 H new ATOM 0 HE ARG A 8 -1.477 10.138 -19.498 1.00 40.44 H new ATOM 0 HH11 ARG A 8 -1.562 7.964 -22.297 1.00 3.40 H new ATOM 0 HH12 ARG A 8 -2.953 8.777 -23.022 1.00 3.40 H new ATOM 0 HH21 ARG A 8 -3.220 11.192 -20.453 1.00 30.41 H new ATOM 0 HH22 ARG A 8 -3.889 10.602 -21.978 1.00 30.41 H new ATOM 139 N CYS A 9 -0.767 9.402 -14.734 1.00 13.35 N ATOM 140 CA CYS A 9 -1.345 8.960 -13.504 1.00 74.44 C ATOM 141 C CYS A 9 -2.586 8.147 -13.835 1.00 1.43 C ATOM 142 O CYS A 9 -3.452 8.611 -14.566 1.00 65.53 O ATOM 143 CB CYS A 9 -1.671 10.185 -12.619 1.00 10.50 C ATOM 144 SG CYS A 9 -2.422 9.810 -11.025 1.00 21.34 S ATOM 0 H CYS A 9 -1.171 10.248 -15.136 1.00 13.35 H new ATOM 0 HA CYS A 9 -0.654 8.331 -12.943 1.00 74.44 H new ATOM 0 HB2 CYS A 9 -0.750 10.742 -12.445 1.00 10.50 H new ATOM 0 HB3 CYS A 9 -2.342 10.843 -13.172 1.00 10.50 H new ATOM 149 N PRO A 10 -2.692 6.940 -13.268 1.00 61.54 N ATOM 150 CA PRO A 10 -3.769 5.999 -13.582 1.00 42.44 C ATOM 151 C PRO A 10 -5.115 6.327 -12.937 1.00 43.41 C ATOM 152 O PRO A 10 -6.153 6.277 -13.584 1.00 31.31 O ATOM 153 CB PRO A 10 -3.225 4.671 -13.046 1.00 41.01 C ATOM 154 CG PRO A 10 -2.329 5.059 -11.929 1.00 72.11 C ATOM 155 CD PRO A 10 -1.723 6.366 -12.319 1.00 55.22 C ATOM 0 HA PRO A 10 -3.996 6.009 -14.648 1.00 42.44 H new ATOM 0 HB2 PRO A 10 -4.031 4.022 -12.701 1.00 41.01 H new ATOM 0 HB3 PRO A 10 -2.683 4.124 -13.818 1.00 41.01 H new ATOM 0 HG2 PRO A 10 -2.886 5.151 -10.997 1.00 72.11 H new ATOM 0 HG3 PRO A 10 -1.559 4.305 -11.767 1.00 72.11 H new ATOM 0 HD2 PRO A 10 -1.580 7.014 -11.454 1.00 55.22 H new ATOM 0 HD3 PRO A 10 -0.745 6.230 -12.781 1.00 55.22 H new ATOM 163 N CYS A 11 -5.109 6.636 -11.693 1.00 22.32 N ATOM 164 CA CYS A 11 -6.323 6.882 -10.996 1.00 24.44 C ATOM 165 C CYS A 11 -6.583 8.360 -10.892 1.00 55.22 C ATOM 166 O CYS A 11 -5.957 9.058 -10.098 1.00 4.13 O ATOM 167 CB CYS A 11 -6.301 6.207 -9.629 1.00 14.14 C ATOM 168 SG CYS A 11 -5.915 4.419 -9.718 1.00 61.33 S ATOM 0 H CYS A 11 -4.265 6.726 -11.127 1.00 22.32 H new ATOM 0 HA CYS A 11 -7.148 6.447 -11.560 1.00 24.44 H new ATOM 0 HB2 CYS A 11 -5.562 6.701 -8.998 1.00 14.14 H new ATOM 0 HB3 CYS A 11 -7.270 6.340 -9.149 1.00 14.14 H new ATOM 173 N ARG A 12 -7.480 8.838 -11.733 1.00 73.00 N ATOM 174 CA ARG A 12 -7.856 10.236 -11.740 1.00 31.21 C ATOM 175 C ARG A 12 -8.794 10.500 -10.583 1.00 42.21 C ATOM 176 O ARG A 12 -8.532 11.339 -9.735 1.00 23.54 O ATOM 177 CB ARG A 12 -8.516 10.579 -13.072 1.00 13.31 C ATOM 178 CG ARG A 12 -8.933 12.022 -13.218 1.00 0.40 C ATOM 179 CD ARG A 12 -9.563 12.255 -14.570 1.00 73.42 C ATOM 180 NE ARG A 12 -10.017 13.626 -14.738 1.00 53.23 N ATOM 181 CZ ARG A 12 -10.585 14.104 -15.847 1.00 1.41 C ATOM 182 NH1 ARG A 12 -10.777 13.307 -16.899 1.00 72.42 N ATOM 183 NH2 ARG A 12 -10.962 15.372 -15.899 1.00 31.24 N ATOM 0 H ARG A 12 -7.966 8.270 -12.427 1.00 73.00 H new ATOM 0 HA ARG A 12 -6.974 10.866 -11.625 1.00 31.21 H new ATOM 0 HB2 ARG A 12 -7.825 10.332 -13.878 1.00 13.31 H new ATOM 0 HB3 ARG A 12 -9.395 9.947 -13.200 1.00 13.31 H new ATOM 0 HG2 ARG A 12 -9.640 12.284 -12.431 1.00 0.40 H new ATOM 0 HG3 ARG A 12 -8.066 12.671 -13.097 1.00 0.40 H new ATOM 0 HD2 ARG A 12 -8.841 12.015 -15.351 1.00 73.42 H new ATOM 0 HD3 ARG A 12 -10.407 11.577 -14.697 1.00 73.42 H new ATOM 0 HE ARG A 12 -9.893 14.267 -13.954 1.00 53.23 H new ATOM 0 HH11 ARG A 12 -10.489 12.329 -16.857 1.00 72.42 H new ATOM 0 HH12 ARG A 12 -11.211 13.675 -17.745 1.00 72.42 H new ATOM 0 HH21 ARG A 12 -10.818 15.980 -15.093 1.00 31.24 H new ATOM 0 HH22 ARG A 12 -11.396 15.741 -16.745 1.00 31.24 H new ATOM 197 N PHE A 13 -9.878 9.773 -10.551 1.00 62.10 N ATOM 198 CA PHE A 13 -10.782 9.842 -9.444 1.00 34.11 C ATOM 199 C PHE A 13 -10.694 8.551 -8.675 1.00 4.54 C ATOM 200 O PHE A 13 -10.432 7.483 -9.261 1.00 34.13 O ATOM 201 CB PHE A 13 -12.219 10.132 -9.887 1.00 71.32 C ATOM 202 CG PHE A 13 -12.405 11.483 -10.522 1.00 74.41 C ATOM 203 CD1 PHE A 13 -12.552 12.614 -9.733 1.00 75.11 C ATOM 204 CD2 PHE A 13 -12.434 11.626 -11.897 1.00 35.25 C ATOM 205 CE1 PHE A 13 -12.725 13.859 -10.307 1.00 70.21 C ATOM 206 CE2 PHE A 13 -12.607 12.869 -12.476 1.00 61.14 C ATOM 207 CZ PHE A 13 -12.751 13.986 -11.678 1.00 2.00 C ATOM 0 H PHE A 13 -10.155 9.123 -11.287 1.00 62.10 H new ATOM 0 HA PHE A 13 -10.494 10.675 -8.802 1.00 34.11 H new ATOM 0 HB2 PHE A 13 -12.532 9.364 -10.594 1.00 71.32 H new ATOM 0 HB3 PHE A 13 -12.877 10.055 -9.021 1.00 71.32 H new ATOM 0 HD1 PHE A 13 -12.531 12.521 -8.657 1.00 75.11 H new ATOM 0 HD2 PHE A 13 -12.320 10.756 -12.526 1.00 35.25 H new ATOM 0 HE1 PHE A 13 -12.840 14.732 -9.681 1.00 70.21 H new ATOM 0 HE2 PHE A 13 -12.629 12.966 -13.551 1.00 61.14 H new ATOM 0 HZ PHE A 13 -12.884 14.959 -12.128 1.00 2.00 H new ATOM 217 N PHE A 14 -10.868 8.637 -7.391 1.00 70.40 N ATOM 218 CA PHE A 14 -10.752 7.499 -6.518 1.00 14.43 C ATOM 219 C PHE A 14 -11.959 7.319 -5.595 1.00 20.05 C ATOM 220 O PHE A 14 -12.567 8.289 -5.131 1.00 63.35 O ATOM 221 CB PHE A 14 -9.389 7.462 -5.809 1.00 44.23 C ATOM 222 CG PHE A 14 -8.766 8.813 -5.550 1.00 52.05 C ATOM 223 CD1 PHE A 14 -9.270 9.672 -4.602 1.00 15.40 C ATOM 224 CD2 PHE A 14 -7.663 9.214 -6.289 1.00 4.35 C ATOM 225 CE1 PHE A 14 -8.688 10.907 -4.387 1.00 23.33 C ATOM 226 CE2 PHE A 14 -7.079 10.443 -6.083 1.00 1.31 C ATOM 227 CZ PHE A 14 -7.591 11.292 -5.130 1.00 31.14 C ATOM 0 H PHE A 14 -11.097 9.507 -6.911 1.00 70.40 H new ATOM 0 HA PHE A 14 -10.776 6.609 -7.146 1.00 14.43 H new ATOM 0 HB2 PHE A 14 -9.506 6.944 -4.857 1.00 44.23 H new ATOM 0 HB3 PHE A 14 -8.699 6.870 -6.411 1.00 44.23 H new ATOM 0 HD1 PHE A 14 -10.130 9.378 -4.019 1.00 15.40 H new ATOM 0 HD2 PHE A 14 -7.256 8.551 -7.038 1.00 4.35 H new ATOM 0 HE1 PHE A 14 -9.092 11.571 -3.637 1.00 23.33 H new ATOM 0 HE2 PHE A 14 -6.221 10.740 -6.668 1.00 1.31 H new ATOM 0 HZ PHE A 14 -7.136 12.257 -4.964 1.00 31.14 H new ATOM 237 N GLU A 15 -12.281 6.065 -5.358 1.00 2.34 N ATOM 238 CA GLU A 15 -13.500 5.623 -4.711 1.00 32.00 C ATOM 239 C GLU A 15 -13.513 5.871 -3.200 1.00 23.04 C ATOM 240 O GLU A 15 -12.478 5.794 -2.533 1.00 2.04 O ATOM 241 CB GLU A 15 -13.707 4.129 -5.030 1.00 33.12 C ATOM 242 CG GLU A 15 -15.027 3.580 -4.582 1.00 4.11 C ATOM 243 CD GLU A 15 -16.149 4.427 -5.090 1.00 11.25 C ATOM 244 OE1 GLU A 15 -16.513 4.312 -6.291 1.00 61.12 O ATOM 245 OE2 GLU A 15 -16.667 5.238 -4.291 1.00 41.42 O ATOM 0 H GLU A 15 -11.673 5.290 -5.623 1.00 2.34 H new ATOM 0 HA GLU A 15 -14.325 6.216 -5.105 1.00 32.00 H new ATOM 0 HB2 GLU A 15 -13.612 3.983 -6.106 1.00 33.12 H new ATOM 0 HB3 GLU A 15 -12.909 3.555 -4.559 1.00 33.12 H new ATOM 0 HG2 GLU A 15 -15.143 2.558 -4.943 1.00 4.11 H new ATOM 0 HG3 GLU A 15 -15.059 3.539 -3.493 1.00 4.11 H new ATOM 252 N SER A 16 -14.700 6.138 -2.676 1.00 35.33 N ATOM 253 CA SER A 16 -14.884 6.419 -1.282 1.00 72.12 C ATOM 254 C SER A 16 -15.907 5.488 -0.634 1.00 1.32 C ATOM 255 O SER A 16 -15.849 5.244 0.559 1.00 10.43 O ATOM 256 CB SER A 16 -15.311 7.863 -1.096 1.00 55.14 C ATOM 257 OG SER A 16 -16.450 8.161 -1.888 1.00 1.22 O ATOM 0 H SER A 16 -15.562 6.163 -3.221 1.00 35.33 H new ATOM 0 HA SER A 16 -13.928 6.249 -0.788 1.00 72.12 H new ATOM 0 HB2 SER A 16 -15.535 8.047 -0.045 1.00 55.14 H new ATOM 0 HB3 SER A 16 -14.490 8.527 -1.368 1.00 55.14 H new ATOM 0 HG SER A 16 -17.256 7.829 -1.440 1.00 1.22 H new ATOM 263 N HIS A 17 -16.844 4.968 -1.406 1.00 13.21 N ATOM 264 CA HIS A 17 -17.885 4.115 -0.825 1.00 2.35 C ATOM 265 C HIS A 17 -17.645 2.659 -1.145 1.00 32.13 C ATOM 266 O HIS A 17 -18.569 1.844 -1.183 1.00 40.21 O ATOM 267 CB HIS A 17 -19.295 4.572 -1.224 1.00 24.04 C ATOM 268 CG HIS A 17 -19.678 5.930 -0.679 1.00 4.15 C ATOM 269 ND1 HIS A 17 -20.819 6.608 -1.059 1.00 61.44 N ATOM 270 CD2 HIS A 17 -19.075 6.722 0.248 1.00 25.14 C ATOM 271 CE1 HIS A 17 -20.896 7.742 -0.389 1.00 72.05 C ATOM 272 NE2 HIS A 17 -19.856 7.831 0.406 1.00 62.45 N ATOM 0 H HIS A 17 -16.913 5.111 -2.413 1.00 13.21 H new ATOM 0 HA HIS A 17 -17.823 4.221 0.258 1.00 2.35 H new ATOM 0 HB2 HIS A 17 -19.364 4.596 -2.312 1.00 24.04 H new ATOM 0 HB3 HIS A 17 -20.018 3.834 -0.874 1.00 24.04 H new ATOM 0 HD1 HIS A 17 -21.496 6.283 -1.749 1.00 61.44 H new ATOM 0 HD2 HIS A 17 -18.150 6.512 0.764 1.00 25.14 H new ATOM 0 HE1 HIS A 17 -21.684 8.475 -0.480 1.00 72.05 H new ATOM 281 N VAL A 18 -16.390 2.343 -1.329 1.00 32.14 N ATOM 282 CA VAL A 18 -15.933 0.990 -1.546 1.00 54.44 C ATOM 283 C VAL A 18 -16.080 0.202 -0.216 1.00 5.44 C ATOM 284 O VAL A 18 -16.191 0.805 0.862 1.00 31.23 O ATOM 285 CB VAL A 18 -14.437 1.013 -1.987 1.00 72.33 C ATOM 286 CG1 VAL A 18 -13.577 1.626 -0.903 1.00 23.35 C ATOM 287 CG2 VAL A 18 -13.931 -0.371 -2.387 1.00 14.53 C ATOM 0 H VAL A 18 -15.638 3.032 -1.333 1.00 32.14 H new ATOM 0 HA VAL A 18 -16.524 0.511 -2.327 1.00 54.44 H new ATOM 0 HB VAL A 18 -14.365 1.637 -2.878 1.00 72.33 H new ATOM 0 HG11 VAL A 18 -12.536 1.635 -1.226 1.00 23.35 H new ATOM 0 HG12 VAL A 18 -13.906 2.647 -0.711 1.00 23.35 H new ATOM 0 HG13 VAL A 18 -13.669 1.038 0.010 1.00 23.35 H new ATOM 0 HG21 VAL A 18 -12.885 -0.304 -2.686 1.00 14.53 H new ATOM 0 HG22 VAL A 18 -14.023 -1.051 -1.540 1.00 14.53 H new ATOM 0 HG23 VAL A 18 -14.523 -0.748 -3.221 1.00 14.53 H new ATOM 297 N ALA A 19 -16.071 -1.101 -0.281 1.00 13.55 N ATOM 298 CA ALA A 19 -16.221 -1.895 0.893 1.00 51.21 C ATOM 299 C ALA A 19 -14.862 -2.374 1.360 1.00 30.02 C ATOM 300 O ALA A 19 -14.177 -3.133 0.671 1.00 5.41 O ATOM 301 CB ALA A 19 -17.171 -3.050 0.640 1.00 64.23 C ATOM 0 H ALA A 19 -15.960 -1.633 -1.144 1.00 13.55 H new ATOM 0 HA ALA A 19 -16.659 -1.289 1.687 1.00 51.21 H new ATOM 0 HB1 ALA A 19 -17.272 -3.644 1.548 1.00 64.23 H new ATOM 0 HB2 ALA A 19 -18.147 -2.661 0.350 1.00 64.23 H new ATOM 0 HB3 ALA A 19 -16.778 -3.676 -0.161 1.00 64.23 H new ATOM 307 N ARG A 20 -14.494 -1.910 2.526 1.00 2.14 N ATOM 308 CA ARG A 20 -13.221 -2.187 3.200 1.00 43.42 C ATOM 309 C ARG A 20 -12.994 -3.689 3.341 1.00 44.12 C ATOM 310 O ARG A 20 -11.882 -4.176 3.198 1.00 70.53 O ATOM 311 CB ARG A 20 -13.316 -1.476 4.564 1.00 43.32 C ATOM 312 CG ARG A 20 -12.129 -1.470 5.540 1.00 45.20 C ATOM 313 CD ARG A 20 -11.786 -2.789 6.175 1.00 43.40 C ATOM 314 NE ARG A 20 -10.890 -2.550 7.316 1.00 34.02 N ATOM 315 CZ ARG A 20 -10.769 -3.331 8.385 1.00 22.11 C ATOM 316 NH1 ARG A 20 -11.372 -4.507 8.431 1.00 2.05 N ATOM 317 NH2 ARG A 20 -10.016 -2.932 9.403 1.00 53.02 N ATOM 0 H ARG A 20 -15.096 -1.294 3.072 1.00 2.14 H new ATOM 0 HA ARG A 20 -12.366 -1.821 2.632 1.00 43.42 H new ATOM 0 HB2 ARG A 20 -13.569 -0.435 4.364 1.00 43.32 H new ATOM 0 HB3 ARG A 20 -14.162 -1.914 5.094 1.00 43.32 H new ATOM 0 HG2 ARG A 20 -11.250 -1.107 5.008 1.00 45.20 H new ATOM 0 HG3 ARG A 20 -12.341 -0.753 6.333 1.00 45.20 H new ATOM 0 HD2 ARG A 20 -12.693 -3.294 6.507 1.00 43.40 H new ATOM 0 HD3 ARG A 20 -11.304 -3.443 5.448 1.00 43.40 H new ATOM 0 HE ARG A 20 -10.310 -1.711 7.285 1.00 34.02 H new ATOM 0 HH11 ARG A 20 -11.936 -4.822 7.642 1.00 2.05 H new ATOM 0 HH12 ARG A 20 -11.273 -5.099 9.256 1.00 2.05 H new ATOM 0 HH21 ARG A 20 -9.536 -2.033 9.361 1.00 53.02 H new ATOM 0 HH22 ARG A 20 -9.917 -3.525 10.227 1.00 53.02 H new ATOM 331 N ALA A 21 -14.052 -4.407 3.609 1.00 55.32 N ATOM 332 CA ALA A 21 -13.980 -5.842 3.779 1.00 43.43 C ATOM 333 C ALA A 21 -13.997 -6.596 2.438 1.00 75.33 C ATOM 334 O ALA A 21 -13.759 -7.800 2.406 1.00 13.53 O ATOM 335 CB ALA A 21 -15.091 -6.327 4.691 1.00 42.55 C ATOM 0 H ALA A 21 -14.989 -4.019 3.716 1.00 55.32 H new ATOM 0 HA ALA A 21 -13.021 -6.062 4.248 1.00 43.43 H new ATOM 0 HB1 ALA A 21 -15.021 -7.409 4.807 1.00 42.55 H new ATOM 0 HB2 ALA A 21 -14.995 -5.850 5.667 1.00 42.55 H new ATOM 0 HB3 ALA A 21 -16.057 -6.071 4.256 1.00 42.55 H new ATOM 341 N ASN A 22 -14.288 -5.893 1.338 1.00 74.23 N ATOM 342 CA ASN A 22 -14.412 -6.544 0.015 1.00 3.05 C ATOM 343 C ASN A 22 -13.244 -6.213 -0.912 1.00 4.20 C ATOM 344 O ASN A 22 -13.216 -6.597 -2.071 1.00 53.22 O ATOM 345 CB ASN A 22 -15.789 -6.243 -0.608 1.00 62.05 C ATOM 346 CG ASN A 22 -16.083 -6.897 -1.978 1.00 21.43 C ATOM 347 OD1 ASN A 22 -15.939 -6.146 -3.044 1.00 61.12 O flip ATOM 348 ND2 ASN A 22 -16.516 -8.052 -2.053 1.00 34.25 N flip ATOM 0 H ASN A 22 -14.442 -4.885 1.329 1.00 74.23 H new ATOM 0 HA ASN A 22 -14.355 -7.622 0.163 1.00 3.05 H new ATOM 0 HB2 ASN A 22 -16.559 -6.562 0.095 1.00 62.05 H new ATOM 0 HB3 ASN A 22 -15.885 -5.163 -0.718 1.00 62.05 H new ATOM 0 HD21 ASN A 22 -16.618 -8.614 -1.208 1.00 34.25 H new ATOM 0 HD22 ASN A 22 -16.771 -8.443 -2.960 1.00 34.25 H new ATOM 355 N VAL A 23 -12.263 -5.541 -0.402 1.00 12.35 N ATOM 356 CA VAL A 23 -11.076 -5.325 -1.192 1.00 55.33 C ATOM 357 C VAL A 23 -10.070 -6.417 -0.863 1.00 43.20 C ATOM 358 O VAL A 23 -9.915 -6.782 0.281 1.00 54.50 O ATOM 359 CB VAL A 23 -10.425 -3.933 -0.961 1.00 21.53 C ATOM 360 CG1 VAL A 23 -11.370 -2.818 -1.369 1.00 3.14 C ATOM 361 CG2 VAL A 23 -10.007 -3.758 0.484 1.00 42.10 C ATOM 0 H VAL A 23 -12.249 -5.137 0.535 1.00 12.35 H new ATOM 0 HA VAL A 23 -11.372 -5.357 -2.241 1.00 55.33 H new ATOM 0 HB VAL A 23 -9.533 -3.880 -1.586 1.00 21.53 H new ATOM 0 HG11 VAL A 23 -10.891 -1.854 -1.198 1.00 3.14 H new ATOM 0 HG12 VAL A 23 -11.616 -2.918 -2.426 1.00 3.14 H new ATOM 0 HG13 VAL A 23 -12.283 -2.880 -0.777 1.00 3.14 H new ATOM 0 HG21 VAL A 23 -9.555 -2.775 0.615 1.00 42.10 H new ATOM 0 HG22 VAL A 23 -10.882 -3.844 1.129 1.00 42.10 H new ATOM 0 HG23 VAL A 23 -9.283 -4.529 0.749 1.00 42.10 H new ATOM 371 N LYS A 24 -9.444 -6.973 -1.874 1.00 31.13 N ATOM 372 CA LYS A 24 -8.452 -8.005 -1.687 1.00 54.44 C ATOM 373 C LYS A 24 -7.209 -7.445 -0.965 1.00 21.45 C ATOM 374 O LYS A 24 -6.640 -8.092 -0.091 1.00 42.14 O ATOM 375 CB LYS A 24 -8.021 -8.549 -3.048 1.00 40.54 C ATOM 376 CG LYS A 24 -7.050 -9.700 -2.962 1.00 50.21 C ATOM 377 CD LYS A 24 -6.520 -10.110 -4.332 1.00 42.32 C ATOM 378 CE LYS A 24 -7.618 -10.598 -5.236 1.00 50.41 C ATOM 379 NZ LYS A 24 -7.130 -11.105 -6.533 1.00 3.13 N ATOM 0 H LYS A 24 -9.608 -6.722 -2.849 1.00 31.13 H new ATOM 0 HA LYS A 24 -8.892 -8.797 -1.081 1.00 54.44 H new ATOM 0 HB2 LYS A 24 -8.906 -8.872 -3.597 1.00 40.54 H new ATOM 0 HB3 LYS A 24 -7.565 -7.743 -3.624 1.00 40.54 H new ATOM 0 HG2 LYS A 24 -6.215 -9.421 -2.320 1.00 50.21 H new ATOM 0 HG3 LYS A 24 -7.541 -10.553 -2.494 1.00 50.21 H new ATOM 0 HD2 LYS A 24 -6.019 -9.261 -4.796 1.00 42.32 H new ATOM 0 HD3 LYS A 24 -5.773 -10.895 -4.212 1.00 42.32 H new ATOM 0 HE2 LYS A 24 -8.170 -11.390 -4.730 1.00 50.41 H new ATOM 0 HE3 LYS A 24 -8.320 -9.784 -5.414 1.00 50.41 H new ATOM 0 HZ1 LYS A 24 -7.937 -11.425 -7.106 1.00 3.13 H new ATOM 0 HZ2 LYS A 24 -6.627 -10.346 -7.036 1.00 3.13 H new ATOM 0 HZ3 LYS A 24 -6.482 -11.902 -6.372 1.00 3.13 H new ATOM 393 N HIS A 25 -6.792 -6.237 -1.360 1.00 42.31 N ATOM 394 CA HIS A 25 -5.604 -5.588 -0.801 1.00 24.00 C ATOM 395 C HIS A 25 -5.516 -4.174 -1.350 1.00 61.13 C ATOM 396 O HIS A 25 -6.329 -3.796 -2.194 1.00 11.21 O ATOM 397 CB HIS A 25 -4.287 -6.360 -1.180 1.00 45.52 C ATOM 398 CG HIS A 25 -3.874 -6.300 -2.654 1.00 64.11 C ATOM 399 ND1 HIS A 25 -3.395 -5.263 -3.399 1.00 50.24 N flip ATOM 400 CD2 HIS A 25 -3.896 -7.380 -3.516 1.00 64.13 C flip ATOM 401 CE1 HIS A 25 -3.158 -5.725 -4.649 1.00 43.02 C flip ATOM 402 NE2 HIS A 25 -3.459 -6.985 -4.706 1.00 73.41 N flip ATOM 0 H HIS A 25 -7.267 -5.685 -2.074 1.00 42.31 H new ATOM 0 HA HIS A 25 -5.697 -5.584 0.285 1.00 24.00 H new ATOM 0 HB2 HIS A 25 -3.470 -5.962 -0.578 1.00 45.52 H new ATOM 0 HB3 HIS A 25 -4.409 -7.406 -0.900 1.00 45.52 H new ATOM 0 HD2 HIS A 25 -4.216 -8.380 -3.263 1.00 64.13 H new ATOM 0 HE1 HIS A 25 -2.778 -5.136 -5.471 1.00 43.02 H new ATOM 0 HE2 HIS A 25 -3.374 -7.577 -5.532 1.00 73.41 H new ATOM 411 N LEU A 26 -4.494 -3.442 -0.935 1.00 20.32 N ATOM 412 CA LEU A 26 -4.235 -2.104 -1.435 1.00 40.23 C ATOM 413 C LEU A 26 -2.898 -2.089 -2.149 1.00 52.13 C ATOM 414 O LEU A 26 -2.014 -2.875 -1.832 1.00 62.44 O ATOM 415 CB LEU A 26 -4.191 -1.086 -0.294 1.00 71.23 C ATOM 416 CG LEU A 26 -5.462 -0.924 0.527 1.00 74.22 C ATOM 417 CD1 LEU A 26 -5.267 0.147 1.580 1.00 24.41 C ATOM 418 CD2 LEU A 26 -6.630 -0.583 -0.372 1.00 12.42 C ATOM 0 H LEU A 26 -3.820 -3.762 -0.240 1.00 20.32 H new ATOM 0 HA LEU A 26 -5.041 -1.833 -2.117 1.00 40.23 H new ATOM 0 HB2 LEU A 26 -3.383 -1.367 0.382 1.00 71.23 H new ATOM 0 HB3 LEU A 26 -3.932 -0.114 -0.715 1.00 71.23 H new ATOM 0 HG LEU A 26 -5.681 -1.867 1.028 1.00 74.22 H new ATOM 0 HD11 LEU A 26 -6.182 0.256 2.162 1.00 24.41 H new ATOM 0 HD12 LEU A 26 -4.448 -0.137 2.241 1.00 24.41 H new ATOM 0 HD13 LEU A 26 -5.031 1.095 1.096 1.00 24.41 H new ATOM 0 HD21 LEU A 26 -7.532 -0.470 0.230 1.00 12.42 H new ATOM 0 HD22 LEU A 26 -6.425 0.350 -0.897 1.00 12.42 H new ATOM 0 HD23 LEU A 26 -6.776 -1.383 -1.098 1.00 12.42 H new ATOM 430 N LYS A 27 -2.758 -1.254 -3.118 1.00 54.34 N ATOM 431 CA LYS A 27 -1.511 -1.106 -3.821 1.00 71.43 C ATOM 432 C LYS A 27 -1.264 0.367 -4.082 1.00 50.20 C ATOM 433 O LYS A 27 -2.053 1.016 -4.755 1.00 31.33 O ATOM 434 CB LYS A 27 -1.522 -1.945 -5.112 1.00 73.52 C ATOM 435 CG LYS A 27 -0.253 -1.843 -5.941 1.00 22.40 C ATOM 436 CD LYS A 27 -0.255 -2.802 -7.137 1.00 53.01 C ATOM 437 CE LYS A 27 -1.473 -2.622 -8.011 1.00 60.10 C ATOM 438 NZ LYS A 27 -1.399 -3.402 -9.265 1.00 0.11 N ATOM 0 H LYS A 27 -3.504 -0.646 -3.455 1.00 54.34 H new ATOM 0 HA LYS A 27 -0.686 -1.482 -3.215 1.00 71.43 H new ATOM 0 HB2 LYS A 27 -1.686 -2.990 -4.850 1.00 73.52 H new ATOM 0 HB3 LYS A 27 -2.368 -1.634 -5.725 1.00 73.52 H new ATOM 0 HG2 LYS A 27 -0.138 -0.820 -6.300 1.00 22.40 H new ATOM 0 HG3 LYS A 27 0.609 -2.058 -5.309 1.00 22.40 H new ATOM 0 HD2 LYS A 27 0.644 -2.640 -7.732 1.00 53.01 H new ATOM 0 HD3 LYS A 27 -0.218 -3.830 -6.776 1.00 53.01 H new ATOM 0 HE2 LYS A 27 -2.361 -2.921 -7.454 1.00 60.10 H new ATOM 0 HE3 LYS A 27 -1.589 -1.565 -8.252 1.00 60.10 H new ATOM 0 HZ1 LYS A 27 -2.260 -3.241 -9.825 1.00 0.11 H new ATOM 0 HZ2 LYS A 27 -0.568 -3.101 -9.813 1.00 0.11 H new ATOM 0 HZ3 LYS A 27 -1.317 -4.414 -9.040 1.00 0.11 H new ATOM 452 N ILE A 28 -0.177 0.887 -3.550 1.00 70.12 N ATOM 453 CA ILE A 28 0.086 2.301 -3.609 1.00 13.35 C ATOM 454 C ILE A 28 1.206 2.588 -4.601 1.00 74.24 C ATOM 455 O ILE A 28 2.300 2.011 -4.514 1.00 21.33 O ATOM 456 CB ILE A 28 0.482 2.861 -2.211 1.00 32.54 C ATOM 457 CG1 ILE A 28 -0.542 2.419 -1.151 1.00 22.40 C ATOM 458 CG2 ILE A 28 0.554 4.392 -2.256 1.00 31.21 C ATOM 459 CD1 ILE A 28 -0.247 2.928 0.247 1.00 60.32 C ATOM 0 H ILE A 28 0.540 0.343 -3.070 1.00 70.12 H new ATOM 0 HA ILE A 28 -0.830 2.794 -3.935 1.00 13.35 H new ATOM 0 HB ILE A 28 1.462 2.466 -1.943 1.00 32.54 H new ATOM 0 HG12 ILE A 28 -1.531 2.765 -1.451 1.00 22.40 H new ATOM 0 HG13 ILE A 28 -0.579 1.330 -1.129 1.00 22.40 H new ATOM 0 HG21 ILE A 28 0.832 4.772 -1.273 1.00 31.21 H new ATOM 0 HG22 ILE A 28 1.300 4.700 -2.988 1.00 31.21 H new ATOM 0 HG23 ILE A 28 -0.419 4.794 -2.539 1.00 31.21 H new ATOM 0 HD11 ILE A 28 -1.015 2.572 0.933 1.00 60.32 H new ATOM 0 HD12 ILE A 28 0.727 2.560 0.570 1.00 60.32 H new ATOM 0 HD13 ILE A 28 -0.240 4.018 0.244 1.00 60.32 H new ATOM 471 N LEU A 29 0.934 3.454 -5.541 1.00 40.23 N ATOM 472 CA LEU A 29 1.911 3.854 -6.531 1.00 33.01 C ATOM 473 C LEU A 29 2.265 5.314 -6.335 1.00 42.22 C ATOM 474 O LEU A 29 1.631 6.008 -5.527 1.00 14.23 O ATOM 475 CB LEU A 29 1.443 3.595 -7.991 1.00 13.42 C ATOM 476 CG LEU A 29 1.239 2.124 -8.437 1.00 60.13 C ATOM 477 CD1 LEU A 29 0.030 1.473 -7.779 1.00 32.24 C ATOM 478 CD2 LEU A 29 1.142 2.030 -9.944 1.00 34.32 C ATOM 0 H LEU A 29 0.026 3.906 -5.646 1.00 40.23 H new ATOM 0 HA LEU A 29 2.795 3.234 -6.382 1.00 33.01 H new ATOM 0 HB2 LEU A 29 0.501 4.123 -8.139 1.00 13.42 H new ATOM 0 HB3 LEU A 29 2.172 4.050 -8.662 1.00 13.42 H new ATOM 0 HG LEU A 29 2.116 1.570 -8.103 1.00 60.13 H new ATOM 0 HD11 LEU A 29 -0.064 0.445 -8.128 1.00 32.24 H new ATOM 0 HD12 LEU A 29 0.158 1.479 -6.697 1.00 32.24 H new ATOM 0 HD13 LEU A 29 -0.870 2.029 -8.041 1.00 32.24 H new ATOM 0 HD21 LEU A 29 0.999 0.989 -10.235 1.00 34.32 H new ATOM 0 HD22 LEU A 29 0.297 2.624 -10.292 1.00 34.32 H new ATOM 0 HD23 LEU A 29 2.060 2.409 -10.392 1.00 34.32 H new ATOM 490 N ASN A 30 3.262 5.790 -7.047 1.00 53.50 N ATOM 491 CA ASN A 30 3.693 7.164 -6.884 1.00 41.03 C ATOM 492 C ASN A 30 3.588 7.923 -8.177 1.00 24.20 C ATOM 493 O ASN A 30 4.379 7.725 -9.094 1.00 21.13 O ATOM 494 CB ASN A 30 5.139 7.247 -6.350 1.00 21.50 C ATOM 495 CG ASN A 30 5.338 6.586 -4.995 1.00 34.04 C ATOM 496 OD1 ASN A 30 6.419 6.093 -4.691 1.00 51.42 O ATOM 497 ND2 ASN A 30 4.318 6.571 -4.177 1.00 43.33 N ATOM 0 H ASN A 30 3.786 5.254 -7.738 1.00 53.50 H new ATOM 0 HA ASN A 30 3.027 7.619 -6.151 1.00 41.03 H new ATOM 0 HB2 ASN A 30 5.809 6.780 -7.072 1.00 21.50 H new ATOM 0 HB3 ASN A 30 5.429 8.295 -6.277 1.00 21.50 H new ATOM 0 HD21 ASN A 30 4.409 6.141 -3.257 1.00 43.33 H new ATOM 0 HD22 ASN A 30 3.432 6.990 -4.459 1.00 43.33 H new ATOM 504 N THR A 31 2.592 8.750 -8.270 1.00 23.22 N ATOM 505 CA THR A 31 2.428 9.598 -9.397 1.00 61.21 C ATOM 506 C THR A 31 2.557 11.064 -8.966 1.00 31.21 C ATOM 507 O THR A 31 1.895 11.496 -8.036 1.00 34.51 O ATOM 508 CB THR A 31 1.085 9.314 -10.093 1.00 21.32 C ATOM 509 OG1 THR A 31 0.024 9.303 -9.121 1.00 63.21 O ATOM 510 CG2 THR A 31 1.135 7.972 -10.804 1.00 72.12 C ATOM 0 H THR A 31 1.869 8.852 -7.558 1.00 23.22 H new ATOM 0 HA THR A 31 3.214 9.394 -10.124 1.00 61.21 H new ATOM 0 HB THR A 31 0.898 10.099 -10.826 1.00 21.32 H new ATOM 0 HG1 THR A 31 -0.841 9.310 -9.581 1.00 63.21 H new ATOM 0 HG21 THR A 31 0.179 7.783 -11.292 1.00 72.12 H new ATOM 0 HG22 THR A 31 1.928 7.986 -11.552 1.00 72.12 H new ATOM 0 HG23 THR A 31 1.334 7.183 -10.079 1.00 72.12 H new ATOM 518 N PRO A 32 3.405 11.851 -9.646 1.00 20.24 N ATOM 519 CA PRO A 32 3.679 13.236 -9.247 1.00 41.52 C ATOM 520 C PRO A 32 2.594 14.220 -9.674 1.00 0.13 C ATOM 521 O PRO A 32 2.570 15.359 -9.227 1.00 71.24 O ATOM 522 CB PRO A 32 4.994 13.549 -9.955 1.00 74.13 C ATOM 523 CG PRO A 32 4.991 12.691 -11.169 1.00 53.14 C ATOM 524 CD PRO A 32 4.176 11.457 -10.839 1.00 0.43 C ATOM 0 HA PRO A 32 3.718 13.336 -8.162 1.00 41.52 H new ATOM 0 HB2 PRO A 32 5.059 14.605 -10.218 1.00 74.13 H new ATOM 0 HB3 PRO A 32 5.849 13.326 -9.316 1.00 74.13 H new ATOM 0 HG2 PRO A 32 4.558 13.223 -12.016 1.00 53.14 H new ATOM 0 HG3 PRO A 32 6.008 12.417 -11.450 1.00 53.14 H new ATOM 0 HD2 PRO A 32 3.521 11.178 -11.664 1.00 0.43 H new ATOM 0 HD3 PRO A 32 4.816 10.598 -10.636 1.00 0.43 H new ATOM 532 N ASN A 33 1.697 13.774 -10.519 1.00 71.41 N ATOM 533 CA ASN A 33 0.643 14.647 -11.028 1.00 65.30 C ATOM 534 C ASN A 33 -0.648 14.372 -10.253 1.00 23.54 C ATOM 535 O ASN A 33 -1.708 14.910 -10.540 1.00 44.22 O ATOM 536 CB ASN A 33 0.468 14.410 -12.545 1.00 1.32 C ATOM 537 CG ASN A 33 -0.409 15.448 -13.246 1.00 32.34 C ATOM 538 OD1 ASN A 33 0.090 16.486 -13.686 1.00 42.33 O ATOM 539 ND2 ASN A 33 -1.682 15.173 -13.397 1.00 73.14 N ATOM 0 H ASN A 33 1.667 12.818 -10.873 1.00 71.41 H new ATOM 0 HA ASN A 33 0.907 15.695 -10.885 1.00 65.30 H new ATOM 0 HB2 ASN A 33 1.451 14.404 -13.016 1.00 1.32 H new ATOM 0 HB3 ASN A 33 0.035 13.422 -12.699 1.00 1.32 H new ATOM 0 HD21 ASN A 33 -2.290 15.827 -13.890 1.00 73.14 H new ATOM 0 HD22 ASN A 33 -2.064 14.305 -13.021 1.00 73.14 H new ATOM 546 N CYS A 34 -0.523 13.543 -9.248 1.00 64.25 N ATOM 547 CA CYS A 34 -1.625 13.168 -8.400 1.00 32.43 C ATOM 548 C CYS A 34 -1.209 13.286 -6.938 1.00 31.43 C ATOM 549 O CYS A 34 -0.015 13.361 -6.637 1.00 25.24 O ATOM 550 CB CYS A 34 -2.135 11.752 -8.748 1.00 52.12 C ATOM 551 SG CYS A 34 -2.954 11.632 -10.361 1.00 50.11 S ATOM 0 H CYS A 34 0.361 13.103 -8.992 1.00 64.25 H new ATOM 0 HA CYS A 34 -2.458 13.850 -8.571 1.00 32.43 H new ATOM 0 HB2 CYS A 34 -1.293 11.060 -8.728 1.00 52.12 H new ATOM 0 HB3 CYS A 34 -2.832 11.429 -7.975 1.00 52.12 H new ATOM 556 N ALA A 35 -2.184 13.359 -6.046 1.00 72.24 N ATOM 557 CA ALA A 35 -1.936 13.500 -4.614 1.00 63.30 C ATOM 558 C ALA A 35 -1.243 12.256 -4.058 1.00 23.31 C ATOM 559 O ALA A 35 -0.139 12.320 -3.532 1.00 33.32 O ATOM 560 CB ALA A 35 -3.253 13.744 -3.900 1.00 31.52 C ATOM 0 H ALA A 35 -3.173 13.322 -6.292 1.00 72.24 H new ATOM 0 HA ALA A 35 -1.274 14.350 -4.448 1.00 63.30 H new ATOM 0 HB1 ALA A 35 -3.073 13.850 -2.830 1.00 31.52 H new ATOM 0 HB2 ALA A 35 -3.711 14.656 -4.283 1.00 31.52 H new ATOM 0 HB3 ALA A 35 -3.922 12.901 -4.073 1.00 31.52 H new ATOM 566 N CYS A 36 -1.903 11.147 -4.176 1.00 32.12 N ATOM 567 CA CYS A 36 -1.376 9.871 -3.774 1.00 50.44 C ATOM 568 C CYS A 36 -2.114 8.859 -4.610 1.00 12.41 C ATOM 569 O CYS A 36 -3.108 9.226 -5.262 1.00 74.23 O ATOM 570 CB CYS A 36 -1.569 9.620 -2.261 1.00 62.43 C ATOM 571 SG CYS A 36 -0.759 8.096 -1.652 1.00 52.33 S ATOM 0 H CYS A 36 -2.845 11.097 -4.563 1.00 32.12 H new ATOM 0 HA CYS A 36 -0.299 9.813 -3.932 1.00 50.44 H new ATOM 0 HB2 CYS A 36 -1.177 10.474 -1.708 1.00 62.43 H new ATOM 0 HB3 CYS A 36 -2.636 9.564 -2.045 1.00 62.43 H new ATOM 576 N GLN A 37 -1.698 7.625 -4.632 1.00 74.32 N ATOM 577 CA GLN A 37 -2.316 6.723 -5.554 1.00 40.53 C ATOM 578 C GLN A 37 -2.493 5.345 -4.947 1.00 31.14 C ATOM 579 O GLN A 37 -1.523 4.646 -4.716 1.00 1.41 O ATOM 580 CB GLN A 37 -1.451 6.633 -6.798 1.00 1.33 C ATOM 581 CG GLN A 37 -2.171 6.126 -8.009 1.00 64.05 C ATOM 582 CD GLN A 37 -3.086 7.174 -8.652 1.00 54.32 C ATOM 583 OE1 GLN A 37 -3.297 7.126 -9.822 1.00 61.23 O ATOM 584 NE2 GLN A 37 -3.588 8.149 -7.910 1.00 4.41 N ATOM 0 H GLN A 37 -0.962 7.233 -4.045 1.00 74.32 H new ATOM 0 HA GLN A 37 -3.307 7.101 -5.806 1.00 40.53 H new ATOM 0 HB2 GLN A 37 -1.045 7.621 -7.017 1.00 1.33 H new ATOM 0 HB3 GLN A 37 -0.604 5.979 -6.592 1.00 1.33 H new ATOM 0 HG2 GLN A 37 -1.440 5.792 -8.745 1.00 64.05 H new ATOM 0 HG3 GLN A 37 -2.765 5.255 -7.732 1.00 64.05 H new ATOM 0 HE21 GLN A 37 -3.398 8.177 -6.908 1.00 4.41 H new ATOM 0 HE22 GLN A 37 -4.164 8.872 -8.340 1.00 4.41 H new ATOM 593 N ILE A 38 -3.730 4.964 -4.697 1.00 34.33 N ATOM 594 CA ILE A 38 -4.021 3.662 -4.129 1.00 22.22 C ATOM 595 C ILE A 38 -4.985 2.901 -5.047 1.00 55.21 C ATOM 596 O ILE A 38 -6.077 3.381 -5.342 1.00 24.03 O ATOM 597 CB ILE A 38 -4.656 3.780 -2.714 1.00 3.34 C ATOM 598 CG1 ILE A 38 -3.759 4.622 -1.785 1.00 12.12 C ATOM 599 CG2 ILE A 38 -4.894 2.389 -2.118 1.00 33.30 C ATOM 600 CD1 ILE A 38 -4.292 4.781 -0.378 1.00 64.32 C ATOM 0 H ILE A 38 -4.552 5.539 -4.879 1.00 34.33 H new ATOM 0 HA ILE A 38 -3.078 3.123 -4.038 1.00 22.22 H new ATOM 0 HB ILE A 38 -5.618 4.284 -2.808 1.00 3.34 H new ATOM 0 HG12 ILE A 38 -2.772 4.161 -1.737 1.00 12.12 H new ATOM 0 HG13 ILE A 38 -3.628 5.611 -2.225 1.00 12.12 H new ATOM 0 HG21 ILE A 38 -5.339 2.489 -1.128 1.00 33.30 H new ATOM 0 HG22 ILE A 38 -5.569 1.827 -2.764 1.00 33.30 H new ATOM 0 HG23 ILE A 38 -3.944 1.860 -2.038 1.00 33.30 H new ATOM 0 HD11 ILE A 38 -3.600 5.386 0.207 1.00 64.32 H new ATOM 0 HD12 ILE A 38 -5.265 5.272 -0.411 1.00 64.32 H new ATOM 0 HD13 ILE A 38 -4.396 3.800 0.085 1.00 64.32 H new ATOM 612 N VAL A 39 -4.564 1.747 -5.495 1.00 3.12 N ATOM 613 CA VAL A 39 -5.362 0.893 -6.365 1.00 4.33 C ATOM 614 C VAL A 39 -5.735 -0.380 -5.595 1.00 35.31 C ATOM 615 O VAL A 39 -4.897 -0.926 -4.866 1.00 14.41 O ATOM 616 CB VAL A 39 -4.558 0.493 -7.639 1.00 41.01 C ATOM 617 CG1 VAL A 39 -5.408 -0.333 -8.596 1.00 30.10 C ATOM 618 CG2 VAL A 39 -3.999 1.723 -8.342 1.00 55.12 C ATOM 0 H VAL A 39 -3.648 1.360 -5.269 1.00 3.12 H new ATOM 0 HA VAL A 39 -6.255 1.438 -6.672 1.00 4.33 H new ATOM 0 HB VAL A 39 -3.721 -0.126 -7.316 1.00 41.01 H new ATOM 0 HG11 VAL A 39 -4.817 -0.595 -9.474 1.00 30.10 H new ATOM 0 HG12 VAL A 39 -5.739 -1.243 -8.096 1.00 30.10 H new ATOM 0 HG13 VAL A 39 -6.277 0.248 -8.904 1.00 30.10 H new ATOM 0 HG21 VAL A 39 -3.443 1.415 -9.227 1.00 55.12 H new ATOM 0 HG22 VAL A 39 -4.819 2.377 -8.638 1.00 55.12 H new ATOM 0 HG23 VAL A 39 -3.334 2.259 -7.664 1.00 55.12 H new ATOM 628 N ALA A 40 -6.960 -0.849 -5.739 1.00 44.21 N ATOM 629 CA ALA A 40 -7.391 -2.033 -5.035 1.00 70.10 C ATOM 630 C ALA A 40 -8.220 -2.954 -5.916 1.00 1.52 C ATOM 631 O ALA A 40 -9.059 -2.508 -6.700 1.00 62.23 O ATOM 632 CB ALA A 40 -8.195 -1.651 -3.808 1.00 31.00 C ATOM 0 H ALA A 40 -7.670 -0.426 -6.337 1.00 44.21 H new ATOM 0 HA ALA A 40 -6.492 -2.573 -4.737 1.00 70.10 H new ATOM 0 HB1 ALA A 40 -8.514 -2.553 -3.286 1.00 31.00 H new ATOM 0 HB2 ALA A 40 -7.579 -1.046 -3.143 1.00 31.00 H new ATOM 0 HB3 ALA A 40 -9.072 -1.078 -4.111 1.00 31.00 H new ATOM 638 N ARG A 41 -7.976 -4.237 -5.795 1.00 5.15 N ATOM 639 CA ARG A 41 -8.784 -5.213 -6.472 1.00 74.45 C ATOM 640 C ARG A 41 -9.807 -5.729 -5.498 1.00 51.02 C ATOM 641 O ARG A 41 -9.456 -6.115 -4.393 1.00 70.10 O ATOM 642 CB ARG A 41 -7.969 -6.400 -7.009 1.00 65.45 C ATOM 643 CG ARG A 41 -7.029 -6.108 -8.157 1.00 22.13 C ATOM 644 CD ARG A 41 -6.491 -7.422 -8.707 1.00 15.21 C ATOM 645 NE ARG A 41 -5.633 -7.253 -9.880 1.00 1.21 N ATOM 646 CZ ARG A 41 -5.340 -8.239 -10.752 1.00 63.42 C ATOM 647 NH1 ARG A 41 -5.907 -9.438 -10.628 1.00 75.10 N ATOM 648 NH2 ARG A 41 -4.509 -8.011 -11.765 1.00 3.00 N ATOM 0 H ARG A 41 -7.221 -4.627 -5.231 1.00 5.15 H new ATOM 0 HA ARG A 41 -9.245 -4.726 -7.331 1.00 74.45 H new ATOM 0 HB2 ARG A 41 -7.385 -6.813 -6.186 1.00 65.45 H new ATOM 0 HB3 ARG A 41 -8.665 -7.176 -7.327 1.00 65.45 H new ATOM 0 HG2 ARG A 41 -7.551 -5.558 -8.940 1.00 22.13 H new ATOM 0 HG3 ARG A 41 -6.207 -5.477 -7.819 1.00 22.13 H new ATOM 0 HD2 ARG A 41 -5.928 -7.931 -7.925 1.00 15.21 H new ATOM 0 HD3 ARG A 41 -7.329 -8.068 -8.969 1.00 15.21 H new ATOM 0 HE ARG A 41 -5.231 -6.331 -10.049 1.00 1.21 H new ATOM 0 HH11 ARG A 41 -6.567 -9.614 -9.870 1.00 75.10 H new ATOM 0 HH12 ARG A 41 -5.681 -10.180 -11.291 1.00 75.10 H new ATOM 0 HH21 ARG A 41 -4.091 -7.088 -11.884 1.00 3.00 H new ATOM 0 HH22 ARG A 41 -4.289 -8.759 -12.423 1.00 3.00 H new ATOM 662 N LEU A 42 -11.044 -5.709 -5.881 1.00 15.34 N ATOM 663 CA LEU A 42 -12.117 -6.212 -5.044 1.00 4.40 C ATOM 664 C LEU A 42 -12.103 -7.724 -5.018 1.00 11.52 C ATOM 665 O LEU A 42 -12.602 -8.363 -5.932 1.00 75.31 O ATOM 666 CB LEU A 42 -13.519 -5.713 -5.501 1.00 1.53 C ATOM 667 CG LEU A 42 -13.831 -4.205 -5.404 1.00 61.30 C ATOM 668 CD1 LEU A 42 -13.668 -3.707 -3.995 1.00 34.13 C ATOM 669 CD2 LEU A 42 -12.985 -3.398 -6.352 1.00 41.12 C ATOM 0 H LEU A 42 -11.352 -5.345 -6.783 1.00 15.34 H new ATOM 0 HA LEU A 42 -11.939 -5.821 -4.042 1.00 4.40 H new ATOM 0 HB2 LEU A 42 -13.656 -6.014 -6.540 1.00 1.53 H new ATOM 0 HB3 LEU A 42 -14.268 -6.245 -4.914 1.00 1.53 H new ATOM 0 HG LEU A 42 -14.873 -4.074 -5.696 1.00 61.30 H new ATOM 0 HD11 LEU A 42 -13.894 -2.641 -3.957 1.00 34.13 H new ATOM 0 HD12 LEU A 42 -14.350 -4.246 -3.337 1.00 34.13 H new ATOM 0 HD13 LEU A 42 -12.642 -3.872 -3.667 1.00 34.13 H new ATOM 0 HD21 LEU A 42 -13.235 -2.342 -6.253 1.00 41.12 H new ATOM 0 HD22 LEU A 42 -11.931 -3.545 -6.115 1.00 41.12 H new ATOM 0 HD23 LEU A 42 -13.175 -3.722 -7.375 1.00 41.12 H new ATOM 681 N LYS A 43 -11.475 -8.285 -3.994 1.00 24.30 N ATOM 682 CA LYS A 43 -11.409 -9.719 -3.778 1.00 3.12 C ATOM 683 C LYS A 43 -10.887 -10.502 -4.989 1.00 55.53 C ATOM 684 O LYS A 43 -10.354 -9.917 -5.943 1.00 65.11 O ATOM 685 CB LYS A 43 -12.746 -10.230 -3.309 1.00 72.45 C ATOM 686 CG LYS A 43 -13.170 -9.672 -1.972 1.00 41.42 C ATOM 687 CD LYS A 43 -12.189 -10.003 -0.885 1.00 4.23 C ATOM 688 CE LYS A 43 -12.824 -9.953 0.486 1.00 32.45 C ATOM 689 NZ LYS A 43 -13.947 -10.914 0.624 1.00 64.30 N ATOM 0 H LYS A 43 -10.989 -7.744 -3.279 1.00 24.30 H new ATOM 0 HA LYS A 43 -10.670 -9.891 -2.996 1.00 3.12 H new ATOM 0 HB2 LYS A 43 -13.502 -9.981 -4.054 1.00 72.45 H new ATOM 0 HB3 LYS A 43 -12.708 -11.317 -3.244 1.00 72.45 H new ATOM 0 HG2 LYS A 43 -13.275 -8.590 -2.048 1.00 41.42 H new ATOM 0 HG3 LYS A 43 -14.150 -10.069 -1.708 1.00 41.42 H new ATOM 0 HD2 LYS A 43 -11.778 -10.998 -1.058 1.00 4.23 H new ATOM 0 HD3 LYS A 43 -11.355 -9.302 -0.924 1.00 4.23 H new ATOM 0 HE2 LYS A 43 -12.069 -10.170 1.241 1.00 32.45 H new ATOM 0 HE3 LYS A 43 -13.187 -8.944 0.679 1.00 32.45 H new ATOM 0 HZ1 LYS A 43 -13.803 -11.497 1.473 1.00 64.30 H new ATOM 0 HZ2 LYS A 43 -14.842 -10.392 0.710 1.00 64.30 H new ATOM 0 HZ3 LYS A 43 -13.984 -11.528 -0.215 1.00 64.30 H new ATOM 745 N ARG A 47 -14.424 -6.678 -9.819 1.00 20.25 N ATOM 746 CA ARG A 47 -13.754 -5.600 -10.521 1.00 24.30 C ATOM 747 C ARG A 47 -12.606 -5.001 -9.682 1.00 75.44 C ATOM 748 O ARG A 47 -12.218 -5.546 -8.639 1.00 12.11 O ATOM 749 CB ARG A 47 -14.749 -4.511 -10.899 1.00 32.25 C ATOM 750 CG ARG A 47 -15.407 -3.825 -9.730 1.00 75.43 C ATOM 751 CD ARG A 47 -16.357 -2.773 -10.219 1.00 23.44 C ATOM 752 NE ARG A 47 -15.686 -1.695 -10.974 1.00 42.31 N ATOM 753 CZ ARG A 47 -16.273 -0.538 -11.324 1.00 13.20 C ATOM 754 NH1 ARG A 47 -17.508 -0.266 -10.913 1.00 32.40 N ATOM 755 NH2 ARG A 47 -15.607 0.354 -12.060 1.00 50.40 N ATOM 0 HA ARG A 47 -13.321 -6.020 -11.429 1.00 24.30 H new ATOM 0 HB2 ARG A 47 -14.235 -3.761 -11.500 1.00 32.25 H new ATOM 0 HB3 ARG A 47 -15.524 -4.948 -11.529 1.00 32.25 H new ATOM 0 HG2 ARG A 47 -15.942 -4.556 -9.123 1.00 75.43 H new ATOM 0 HG3 ARG A 47 -14.649 -3.373 -9.090 1.00 75.43 H new ATOM 0 HD2 ARG A 47 -17.111 -3.239 -10.854 1.00 23.44 H new ATOM 0 HD3 ARG A 47 -16.881 -2.340 -9.367 1.00 23.44 H new ATOM 0 HE ARG A 47 -14.714 -1.838 -11.247 1.00 42.31 H new ATOM 0 HH11 ARG A 47 -18.011 -0.936 -10.331 1.00 32.40 H new ATOM 0 HH12 ARG A 47 -17.952 0.613 -11.179 1.00 32.40 H new ATOM 0 HH21 ARG A 47 -14.651 0.158 -12.358 1.00 50.40 H new ATOM 0 HH22 ARG A 47 -16.054 1.232 -12.325 1.00 50.40 H new ATOM 769 N GLN A 48 -12.068 -3.896 -10.144 1.00 25.43 N ATOM 770 CA GLN A 48 -10.993 -3.216 -9.462 1.00 73.42 C ATOM 771 C GLN A 48 -11.307 -1.731 -9.425 1.00 31.12 C ATOM 772 O GLN A 48 -11.887 -1.196 -10.378 1.00 0.50 O ATOM 773 CB GLN A 48 -9.619 -3.462 -10.158 1.00 13.30 C ATOM 774 CG GLN A 48 -9.472 -2.881 -11.584 1.00 60.04 C ATOM 775 CD GLN A 48 -10.398 -3.508 -12.629 1.00 71.12 C ATOM 776 OE1 GLN A 48 -10.664 -4.780 -12.512 1.00 60.34 O flip ATOM 777 NE2 GLN A 48 -10.829 -2.845 -13.572 1.00 4.42 N flip ATOM 0 H GLN A 48 -12.366 -3.442 -11.008 1.00 25.43 H new ATOM 0 HA GLN A 48 -10.913 -3.611 -8.449 1.00 73.42 H new ATOM 0 HB2 GLN A 48 -8.835 -3.038 -9.531 1.00 13.30 H new ATOM 0 HB3 GLN A 48 -9.444 -4.537 -10.204 1.00 13.30 H new ATOM 0 HG2 GLN A 48 -9.663 -1.809 -11.546 1.00 60.04 H new ATOM 0 HG3 GLN A 48 -8.440 -3.010 -11.909 1.00 60.04 H new ATOM 0 HE21 GLN A 48 -10.607 -1.852 -13.641 1.00 4.42 H new ATOM 0 HE22 GLN A 48 -11.408 -3.289 -14.285 1.00 4.42 H new ATOM 786 N VAL A 49 -10.960 -1.078 -8.347 1.00 14.23 N ATOM 787 CA VAL A 49 -11.204 0.344 -8.192 1.00 51.24 C ATOM 788 C VAL A 49 -10.038 0.997 -7.475 1.00 10.44 C ATOM 789 O VAL A 49 -9.266 0.331 -6.794 1.00 1.32 O ATOM 790 CB VAL A 49 -12.589 0.740 -7.492 1.00 63.23 C ATOM 791 CG1 VAL A 49 -13.800 0.190 -8.229 1.00 0.14 C ATOM 792 CG2 VAL A 49 -12.649 0.401 -6.006 1.00 33.00 C ATOM 0 H VAL A 49 -10.499 -1.512 -7.547 1.00 14.23 H new ATOM 0 HA VAL A 49 -11.295 0.726 -9.209 1.00 51.24 H new ATOM 0 HB VAL A 49 -12.627 1.827 -7.561 1.00 63.23 H new ATOM 0 HG11 VAL A 49 -14.710 0.490 -7.709 1.00 0.14 H new ATOM 0 HG12 VAL A 49 -13.817 0.583 -9.246 1.00 0.14 H new ATOM 0 HG13 VAL A 49 -13.743 -0.898 -8.262 1.00 0.14 H new ATOM 0 HG21 VAL A 49 -13.617 0.699 -5.604 1.00 33.00 H new ATOM 0 HG22 VAL A 49 -12.515 -0.672 -5.872 1.00 33.00 H new ATOM 0 HG23 VAL A 49 -11.857 0.934 -5.479 1.00 33.00 H new ATOM 802 N CYS A 50 -9.906 2.264 -7.634 1.00 14.33 N ATOM 803 CA CYS A 50 -8.851 3.001 -7.002 1.00 33.24 C ATOM 804 C CYS A 50 -9.465 3.646 -5.807 1.00 54.20 C ATOM 805 O CYS A 50 -10.589 4.111 -5.880 1.00 73.21 O ATOM 806 CB CYS A 50 -8.333 4.090 -7.938 1.00 45.41 C ATOM 807 SG CYS A 50 -7.710 3.494 -9.541 1.00 34.44 S ATOM 0 H CYS A 50 -10.528 2.832 -8.210 1.00 14.33 H new ATOM 0 HA CYS A 50 -8.017 2.349 -6.742 1.00 33.24 H new ATOM 0 HB2 CYS A 50 -9.136 4.804 -8.120 1.00 45.41 H new ATOM 0 HB3 CYS A 50 -7.533 4.632 -7.433 1.00 45.41 H new ATOM 812 N ILE A 51 -8.757 3.673 -4.719 1.00 22.45 N ATOM 813 CA ILE A 51 -9.339 4.083 -3.465 1.00 34.43 C ATOM 814 C ILE A 51 -8.847 5.461 -3.089 1.00 74.14 C ATOM 815 O ILE A 51 -7.704 5.831 -3.399 1.00 52.12 O ATOM 816 CB ILE A 51 -8.961 3.091 -2.324 1.00 60.52 C ATOM 817 CG1 ILE A 51 -9.126 1.634 -2.780 1.00 74.02 C ATOM 818 CG2 ILE A 51 -9.836 3.337 -1.098 1.00 44.44 C ATOM 819 CD1 ILE A 51 -10.517 1.268 -3.242 1.00 23.01 C ATOM 0 H ILE A 51 -7.771 3.416 -4.668 1.00 22.45 H new ATOM 0 HA ILE A 51 -10.422 4.093 -3.589 1.00 34.43 H new ATOM 0 HB ILE A 51 -7.915 3.262 -2.068 1.00 60.52 H new ATOM 0 HG12 ILE A 51 -8.426 1.441 -3.593 1.00 74.02 H new ATOM 0 HG13 ILE A 51 -8.847 0.977 -1.956 1.00 74.02 H new ATOM 0 HG21 ILE A 51 -9.561 2.637 -0.309 1.00 44.44 H new ATOM 0 HG22 ILE A 51 -9.689 4.358 -0.745 1.00 44.44 H new ATOM 0 HG23 ILE A 51 -10.883 3.192 -1.363 1.00 44.44 H new ATOM 0 HD11 ILE A 51 -10.536 0.221 -3.544 1.00 23.01 H new ATOM 0 HD12 ILE A 51 -11.224 1.424 -2.427 1.00 23.01 H new ATOM 0 HD13 ILE A 51 -10.796 1.895 -4.089 1.00 23.01 H new ATOM 831 N ASP A 52 -9.717 6.226 -2.462 1.00 32.55 N ATOM 832 CA ASP A 52 -9.386 7.555 -1.988 1.00 23.13 C ATOM 833 C ASP A 52 -8.480 7.408 -0.767 1.00 54.52 C ATOM 834 O ASP A 52 -8.843 6.729 0.189 1.00 32.44 O ATOM 835 CB ASP A 52 -10.671 8.322 -1.596 1.00 4.44 C ATOM 836 CG ASP A 52 -10.433 9.802 -1.319 1.00 12.22 C ATOM 837 OD1 ASP A 52 -9.607 10.137 -0.468 1.00 3.22 O ATOM 838 OD2 ASP A 52 -11.047 10.652 -1.999 1.00 43.51 O ATOM 0 H ASP A 52 -10.677 5.943 -2.266 1.00 32.55 H new ATOM 0 HA ASP A 52 -8.881 8.116 -2.775 1.00 23.13 H new ATOM 0 HB2 ASP A 52 -11.403 8.223 -2.398 1.00 4.44 H new ATOM 0 HB3 ASP A 52 -11.105 7.859 -0.710 1.00 4.44 H new ATOM 843 N PRO A 53 -7.291 8.023 -0.780 1.00 62.43 N ATOM 844 CA PRO A 53 -6.349 7.911 0.331 1.00 43.12 C ATOM 845 C PRO A 53 -6.818 8.645 1.594 1.00 2.34 C ATOM 846 O PRO A 53 -6.298 8.430 2.688 1.00 42.23 O ATOM 847 CB PRO A 53 -5.050 8.526 -0.188 1.00 21.14 C ATOM 848 CG PRO A 53 -5.328 9.034 -1.569 1.00 43.10 C ATOM 849 CD PRO A 53 -6.785 8.849 -1.868 1.00 14.22 C ATOM 0 HA PRO A 53 -6.240 6.869 0.632 1.00 43.12 H new ATOM 0 HB2 PRO A 53 -4.720 9.336 0.462 1.00 21.14 H new ATOM 0 HB3 PRO A 53 -4.251 7.784 -0.203 1.00 21.14 H new ATOM 0 HG2 PRO A 53 -5.058 10.087 -1.645 1.00 43.10 H new ATOM 0 HG3 PRO A 53 -4.722 8.496 -2.298 1.00 43.10 H new ATOM 0 HD2 PRO A 53 -7.304 9.807 -1.911 1.00 14.22 H new ATOM 0 HD3 PRO A 53 -6.931 8.364 -2.833 1.00 14.22 H new ATOM 857 N LYS A 54 -7.812 9.479 1.437 1.00 44.22 N ATOM 858 CA LYS A 54 -8.331 10.278 2.528 1.00 54.13 C ATOM 859 C LYS A 54 -9.588 9.624 3.096 1.00 2.34 C ATOM 860 O LYS A 54 -10.224 10.156 4.001 1.00 54.53 O ATOM 861 CB LYS A 54 -8.670 11.667 2.006 1.00 14.43 C ATOM 862 CG LYS A 54 -7.533 12.310 1.230 1.00 42.44 C ATOM 863 CD LYS A 54 -7.897 13.678 0.667 1.00 25.32 C ATOM 864 CE LYS A 54 -9.173 13.643 -0.184 1.00 10.02 C ATOM 865 NZ LYS A 54 -9.115 12.638 -1.264 1.00 13.35 N ATOM 0 H LYS A 54 -8.290 9.628 0.548 1.00 44.22 H new ATOM 0 HA LYS A 54 -7.582 10.351 3.316 1.00 54.13 H new ATOM 0 HB2 LYS A 54 -9.548 11.602 1.364 1.00 14.43 H new ATOM 0 HB3 LYS A 54 -8.936 12.309 2.846 1.00 14.43 H new ATOM 0 HG2 LYS A 54 -6.666 12.411 1.883 1.00 42.44 H new ATOM 0 HG3 LYS A 54 -7.241 11.652 0.411 1.00 42.44 H new ATOM 0 HD2 LYS A 54 -8.032 14.381 1.489 1.00 25.32 H new ATOM 0 HD3 LYS A 54 -7.070 14.050 0.061 1.00 25.32 H new ATOM 0 HE2 LYS A 54 -10.027 13.429 0.459 1.00 10.02 H new ATOM 0 HE3 LYS A 54 -9.340 14.628 -0.620 1.00 10.02 H new ATOM 0 HZ1 LYS A 54 -10.009 12.647 -1.795 1.00 13.35 H new ATOM 0 HZ2 LYS A 54 -8.329 12.863 -1.906 1.00 13.35 H new ATOM 0 HZ3 LYS A 54 -8.966 11.694 -0.853 1.00 13.35 H new ATOM 879 N LEU A 55 -9.940 8.472 2.552 1.00 54.01 N ATOM 880 CA LEU A 55 -11.112 7.734 2.966 1.00 63.11 C ATOM 881 C LEU A 55 -10.941 7.293 4.430 1.00 71.10 C ATOM 882 O LEU A 55 -9.844 6.930 4.827 1.00 0.45 O ATOM 883 CB LEU A 55 -11.240 6.507 2.071 1.00 41.33 C ATOM 884 CG LEU A 55 -12.641 6.054 1.679 1.00 71.40 C ATOM 885 CD1 LEU A 55 -12.561 4.830 0.795 1.00 23.13 C ATOM 886 CD2 LEU A 55 -13.543 5.795 2.876 1.00 75.24 C ATOM 0 H LEU A 55 -9.413 8.022 1.804 1.00 54.01 H new ATOM 0 HA LEU A 55 -12.005 8.353 2.883 1.00 63.11 H new ATOM 0 HB2 LEU A 55 -10.683 6.702 1.155 1.00 41.33 H new ATOM 0 HB3 LEU A 55 -10.747 5.674 2.573 1.00 41.33 H new ATOM 0 HG LEU A 55 -13.097 6.875 1.126 1.00 71.40 H new ATOM 0 HD11 LEU A 55 -13.567 4.513 0.520 1.00 23.13 H new ATOM 0 HD12 LEU A 55 -11.996 5.068 -0.106 1.00 23.13 H new ATOM 0 HD13 LEU A 55 -12.062 4.024 1.333 1.00 23.13 H new ATOM 0 HD21 LEU A 55 -14.526 5.476 2.529 1.00 75.24 H new ATOM 0 HD22 LEU A 55 -13.106 5.014 3.498 1.00 75.24 H new ATOM 0 HD23 LEU A 55 -13.644 6.710 3.460 1.00 75.24 H new ATOM 898 N LYS A 56 -12.042 7.312 5.198 1.00 23.22 N ATOM 899 CA LYS A 56 -12.059 6.968 6.638 1.00 3.10 C ATOM 900 C LYS A 56 -11.236 5.722 6.963 1.00 42.34 C ATOM 901 O LYS A 56 -10.329 5.779 7.774 1.00 32.10 O ATOM 902 CB LYS A 56 -13.502 6.755 7.123 1.00 62.40 C ATOM 903 CG LYS A 56 -13.630 6.332 8.597 1.00 61.53 C ATOM 904 CD LYS A 56 -13.172 7.424 9.563 1.00 21.45 C ATOM 905 CE LYS A 56 -13.371 6.986 11.012 1.00 30.10 C ATOM 906 NZ LYS A 56 -12.573 5.790 11.347 1.00 72.55 N ATOM 0 H LYS A 56 -12.960 7.570 4.836 1.00 23.22 H new ATOM 0 HA LYS A 56 -11.605 7.812 7.158 1.00 3.10 H new ATOM 0 HB2 LYS A 56 -14.061 7.679 6.975 1.00 62.40 H new ATOM 0 HB3 LYS A 56 -13.972 5.995 6.499 1.00 62.40 H new ATOM 0 HG2 LYS A 56 -14.668 6.076 8.809 1.00 61.53 H new ATOM 0 HG3 LYS A 56 -13.039 5.432 8.766 1.00 61.53 H new ATOM 0 HD2 LYS A 56 -12.120 7.652 9.389 1.00 21.45 H new ATOM 0 HD3 LYS A 56 -13.732 8.340 9.375 1.00 21.45 H new ATOM 0 HE2 LYS A 56 -13.095 7.803 11.678 1.00 30.10 H new ATOM 0 HE3 LYS A 56 -14.427 6.777 11.185 1.00 30.10 H new ATOM 0 HZ1 LYS A 56 -12.520 5.686 12.380 1.00 72.55 H new ATOM 0 HZ2 LYS A 56 -13.023 4.947 10.937 1.00 72.55 H new ATOM 0 HZ3 LYS A 56 -11.613 5.893 10.960 1.00 72.55 H new ATOM 920 N TRP A 57 -11.546 4.607 6.325 1.00 54.23 N ATOM 921 CA TRP A 57 -10.837 3.382 6.628 1.00 20.11 C ATOM 922 C TRP A 57 -9.401 3.397 6.157 1.00 31.44 C ATOM 923 O TRP A 57 -8.585 2.700 6.709 1.00 55.12 O ATOM 924 CB TRP A 57 -11.573 2.128 6.189 1.00 52.45 C ATOM 925 CG TRP A 57 -11.796 1.984 4.727 1.00 61.43 C ATOM 926 CD1 TRP A 57 -12.783 2.546 4.006 1.00 23.14 C ATOM 927 CD2 TRP A 57 -11.036 1.184 3.817 1.00 45.12 C ATOM 928 NE1 TRP A 57 -12.700 2.150 2.702 1.00 54.32 N ATOM 929 CE2 TRP A 57 -11.633 1.314 2.558 1.00 20.12 C ATOM 930 CE3 TRP A 57 -9.908 0.367 3.947 1.00 61.25 C ATOM 931 CZ2 TRP A 57 -11.150 0.660 1.439 1.00 61.34 C ATOM 932 CZ3 TRP A 57 -9.433 -0.281 2.836 1.00 60.11 C ATOM 933 CH2 TRP A 57 -10.056 -0.128 1.596 1.00 13.10 C ATOM 0 H TRP A 57 -12.268 4.526 5.609 1.00 54.23 H new ATOM 0 HA TRP A 57 -10.804 3.341 7.717 1.00 20.11 H new ATOM 0 HB2 TRP A 57 -11.013 1.261 6.539 1.00 52.45 H new ATOM 0 HB3 TRP A 57 -12.542 2.105 6.689 1.00 52.45 H new ATOM 0 HD1 TRP A 57 -13.533 3.214 4.402 1.00 23.14 H new ATOM 0 HE1 TRP A 57 -13.334 2.434 1.956 1.00 54.32 H new ATOM 0 HE3 TRP A 57 -9.421 0.249 4.904 1.00 61.25 H new ATOM 0 HZ2 TRP A 57 -11.626 0.772 0.476 1.00 61.34 H new ATOM 0 HZ3 TRP A 57 -8.565 -0.918 2.921 1.00 60.11 H new ATOM 0 HH2 TRP A 57 -9.657 -0.650 0.739 1.00 13.10 H new ATOM 944 N ILE A 58 -9.100 4.179 5.127 1.00 44.24 N ATOM 945 CA ILE A 58 -7.720 4.315 4.666 1.00 2.12 C ATOM 946 C ILE A 58 -6.939 5.141 5.680 1.00 0.20 C ATOM 947 O ILE A 58 -5.773 4.840 5.979 1.00 61.22 O ATOM 948 CB ILE A 58 -7.621 4.958 3.260 1.00 54.21 C ATOM 949 CG1 ILE A 58 -8.356 4.108 2.220 1.00 24.42 C ATOM 950 CG2 ILE A 58 -6.156 5.121 2.860 1.00 41.24 C ATOM 951 CD1 ILE A 58 -7.784 2.719 2.041 1.00 72.40 C ATOM 0 H ILE A 58 -9.782 4.723 4.599 1.00 44.24 H new ATOM 0 HA ILE A 58 -7.295 3.315 4.581 1.00 2.12 H new ATOM 0 HB ILE A 58 -8.093 5.940 3.298 1.00 54.21 H new ATOM 0 HG12 ILE A 58 -9.403 4.023 2.510 1.00 24.42 H new ATOM 0 HG13 ILE A 58 -8.332 4.625 1.261 1.00 24.42 H new ATOM 0 HG21 ILE A 58 -6.097 5.574 1.870 1.00 41.24 H new ATOM 0 HG22 ILE A 58 -5.651 5.762 3.583 1.00 41.24 H new ATOM 0 HG23 ILE A 58 -5.673 4.144 2.841 1.00 41.24 H new ATOM 0 HD11 ILE A 58 -8.361 2.182 1.288 1.00 72.40 H new ATOM 0 HD12 ILE A 58 -6.745 2.792 1.719 1.00 72.40 H new ATOM 0 HD13 ILE A 58 -7.833 2.180 2.987 1.00 72.40 H new ATOM 963 N GLN A 59 -7.614 6.164 6.226 1.00 35.21 N ATOM 964 CA GLN A 59 -7.072 6.995 7.302 1.00 23.45 C ATOM 965 C GLN A 59 -6.664 6.099 8.449 1.00 12.45 C ATOM 966 O GLN A 59 -5.635 6.309 9.097 1.00 2.31 O ATOM 967 CB GLN A 59 -8.133 7.981 7.807 1.00 2.43 C ATOM 968 CG GLN A 59 -8.630 8.976 6.785 1.00 42.42 C ATOM 969 CD GLN A 59 -7.558 9.923 6.344 1.00 32.21 C ATOM 970 OE1 GLN A 59 -7.383 10.980 6.944 1.00 13.25 O ATOM 971 NE2 GLN A 59 -6.843 9.570 5.307 1.00 54.11 N ATOM 0 H GLN A 59 -8.552 6.435 5.931 1.00 35.21 H new ATOM 0 HA GLN A 59 -6.217 7.554 6.921 1.00 23.45 H new ATOM 0 HB2 GLN A 59 -8.985 7.412 8.180 1.00 2.43 H new ATOM 0 HB3 GLN A 59 -7.721 8.530 8.654 1.00 2.43 H new ATOM 0 HG2 GLN A 59 -9.017 8.440 5.918 1.00 42.42 H new ATOM 0 HG3 GLN A 59 -9.460 9.542 7.207 1.00 42.42 H new ATOM 0 HE21 GLN A 59 -7.025 8.681 4.841 1.00 54.11 H new ATOM 0 HE22 GLN A 59 -6.103 10.183 4.965 1.00 54.11 H new ATOM 980 N GLU A 60 -7.479 5.098 8.691 1.00 25.14 N ATOM 981 CA GLU A 60 -7.195 4.135 9.691 1.00 31.32 C ATOM 982 C GLU A 60 -6.078 3.217 9.213 1.00 21.04 C ATOM 983 O GLU A 60 -5.051 3.133 9.827 1.00 60.30 O ATOM 984 CB GLU A 60 -8.436 3.283 9.949 1.00 11.34 C ATOM 985 CG GLU A 60 -9.672 4.056 10.351 1.00 43.43 C ATOM 986 CD GLU A 60 -9.473 4.873 11.588 1.00 64.13 C ATOM 987 OE1 GLU A 60 -8.871 4.378 12.557 1.00 54.51 O ATOM 988 OE2 GLU A 60 -9.961 6.009 11.615 1.00 64.21 O ATOM 0 H GLU A 60 -8.354 4.942 8.191 1.00 25.14 H new ATOM 0 HA GLU A 60 -6.895 4.651 10.603 1.00 31.32 H new ATOM 0 HB2 GLU A 60 -8.660 2.713 9.048 1.00 11.34 H new ATOM 0 HB3 GLU A 60 -8.206 2.562 10.733 1.00 11.34 H new ATOM 0 HG2 GLU A 60 -9.966 4.712 9.532 1.00 43.43 H new ATOM 0 HG3 GLU A 60 -10.494 3.358 10.511 1.00 43.43 H new ATOM 995 N TYR A 61 -6.269 2.656 8.033 1.00 1.14 N ATOM 996 CA TYR A 61 -5.449 1.574 7.473 1.00 70.23 C ATOM 997 C TYR A 61 -3.963 1.926 7.499 1.00 45.34 C ATOM 998 O TYR A 61 -3.143 1.160 8.030 1.00 70.14 O ATOM 999 CB TYR A 61 -5.889 1.340 6.013 1.00 53.20 C ATOM 1000 CG TYR A 61 -5.489 0.013 5.410 1.00 12.12 C ATOM 1001 CD1 TYR A 61 -4.166 -0.311 5.156 1.00 72.14 C ATOM 1002 CD2 TYR A 61 -6.463 -0.919 5.089 1.00 60.22 C ATOM 1003 CE1 TYR A 61 -3.828 -1.529 4.608 1.00 53.01 C ATOM 1004 CE2 TYR A 61 -6.137 -2.131 4.537 1.00 3.22 C ATOM 1005 CZ TYR A 61 -4.814 -2.436 4.299 1.00 42.13 C ATOM 1006 OH TYR A 61 -4.472 -3.660 3.760 1.00 51.23 O ATOM 0 H TYR A 61 -7.023 2.944 7.409 1.00 1.14 H new ATOM 0 HA TYR A 61 -5.591 0.677 8.076 1.00 70.23 H new ATOM 0 HB2 TYR A 61 -6.974 1.429 5.962 1.00 53.20 H new ATOM 0 HB3 TYR A 61 -5.475 2.138 5.396 1.00 53.20 H new ATOM 0 HD1 TYR A 61 -3.389 0.401 5.391 1.00 72.14 H new ATOM 0 HD2 TYR A 61 -7.501 -0.686 5.278 1.00 60.22 H new ATOM 0 HE1 TYR A 61 -2.792 -1.771 4.422 1.00 53.01 H new ATOM 0 HE2 TYR A 61 -6.912 -2.842 4.290 1.00 3.22 H new ATOM 0 HH TYR A 61 -3.836 -4.112 4.353 1.00 51.23 H new ATOM 1016 N LEU A 62 -3.634 3.083 6.964 1.00 15.53 N ATOM 1017 CA LEU A 62 -2.253 3.520 6.880 1.00 70.32 C ATOM 1018 C LEU A 62 -1.691 3.741 8.280 1.00 53.30 C ATOM 1019 O LEU A 62 -0.636 3.221 8.629 1.00 14.34 O ATOM 1020 CB LEU A 62 -2.158 4.816 6.070 1.00 52.00 C ATOM 1021 CG LEU A 62 -2.744 4.779 4.652 1.00 4.55 C ATOM 1022 CD1 LEU A 62 -2.588 6.129 3.971 1.00 11.50 C ATOM 1023 CD2 LEU A 62 -2.105 3.680 3.815 1.00 5.11 C ATOM 0 H LEU A 62 -4.309 3.743 6.578 1.00 15.53 H new ATOM 0 HA LEU A 62 -1.670 2.747 6.379 1.00 70.32 H new ATOM 0 HB2 LEU A 62 -2.662 5.605 6.628 1.00 52.00 H new ATOM 0 HB3 LEU A 62 -1.108 5.098 5.998 1.00 52.00 H new ATOM 0 HG LEU A 62 -3.807 4.555 4.739 1.00 4.55 H new ATOM 0 HD11 LEU A 62 -3.010 6.081 2.967 1.00 11.50 H new ATOM 0 HD12 LEU A 62 -3.112 6.891 4.549 1.00 11.50 H new ATOM 0 HD13 LEU A 62 -1.530 6.385 3.908 1.00 11.50 H new ATOM 0 HD21 LEU A 62 -2.543 3.682 2.817 1.00 5.11 H new ATOM 0 HD22 LEU A 62 -1.032 3.857 3.741 1.00 5.11 H new ATOM 0 HD23 LEU A 62 -2.282 2.714 4.287 1.00 5.11 H new ATOM 1035 N GLU A 63 -2.426 4.498 9.072 1.00 2.22 N ATOM 1036 CA GLU A 63 -2.057 4.827 10.421 1.00 70.22 C ATOM 1037 C GLU A 63 -1.936 3.555 11.334 1.00 22.41 C ATOM 1038 O GLU A 63 -1.000 3.452 12.125 1.00 64.43 O ATOM 1039 CB GLU A 63 -3.095 5.845 10.911 1.00 35.21 C ATOM 1040 CG GLU A 63 -2.833 6.565 12.215 1.00 62.33 C ATOM 1041 CD GLU A 63 -3.043 5.736 13.461 1.00 32.14 C ATOM 1042 OE1 GLU A 63 -4.209 5.431 13.777 1.00 23.43 O ATOM 1043 OE2 GLU A 63 -2.064 5.400 14.153 1.00 44.10 O ATOM 0 H GLU A 63 -3.314 4.907 8.782 1.00 2.22 H new ATOM 0 HA GLU A 63 -1.060 5.264 10.465 1.00 70.22 H new ATOM 0 HB2 GLU A 63 -3.214 6.599 10.133 1.00 35.21 H new ATOM 0 HB3 GLU A 63 -4.050 5.328 11.003 1.00 35.21 H new ATOM 0 HG2 GLU A 63 -1.806 6.930 12.210 1.00 62.33 H new ATOM 0 HG3 GLU A 63 -3.482 7.439 12.266 1.00 62.33 H new ATOM 1050 N LYS A 64 -2.846 2.576 11.189 1.00 2.21 N ATOM 1051 CA LYS A 64 -2.811 1.373 12.049 1.00 3.52 C ATOM 1052 C LYS A 64 -1.582 0.529 11.718 1.00 44.23 C ATOM 1053 O LYS A 64 -0.868 0.080 12.603 1.00 24.33 O ATOM 1054 CB LYS A 64 -4.051 0.478 11.830 1.00 11.44 C ATOM 1055 CG LYS A 64 -5.402 1.176 11.887 1.00 2.13 C ATOM 1056 CD LYS A 64 -5.738 1.825 13.217 1.00 50.33 C ATOM 1057 CE LYS A 64 -6.019 0.806 14.285 1.00 20.42 C ATOM 1058 NZ LYS A 64 -6.327 1.447 15.577 1.00 41.10 N ATOM 0 H LYS A 64 -3.600 2.588 10.502 1.00 2.21 H new ATOM 0 HA LYS A 64 -2.787 1.723 13.081 1.00 3.52 H new ATOM 0 HB2 LYS A 64 -3.956 -0.006 10.858 1.00 11.44 H new ATOM 0 HB3 LYS A 64 -4.041 -0.311 12.582 1.00 11.44 H new ATOM 0 HG2 LYS A 64 -5.431 1.940 11.110 1.00 2.13 H new ATOM 0 HG3 LYS A 64 -6.179 0.449 11.649 1.00 2.13 H new ATOM 0 HD2 LYS A 64 -4.909 2.460 13.530 1.00 50.33 H new ATOM 0 HD3 LYS A 64 -6.607 2.472 13.096 1.00 50.33 H new ATOM 0 HE2 LYS A 64 -6.857 0.179 13.980 1.00 20.42 H new ATOM 0 HE3 LYS A 64 -5.156 0.150 14.400 1.00 20.42 H new ATOM 0 HZ1 LYS A 64 -6.516 0.715 16.291 1.00 41.10 H new ATOM 0 HZ2 LYS A 64 -5.517 2.025 15.879 1.00 41.10 H new ATOM 0 HZ3 LYS A 64 -7.166 2.053 15.473 1.00 41.10 H new ATOM 1072 N CYS A 65 -1.352 0.350 10.437 1.00 23.05 N ATOM 1073 CA CYS A 65 -0.215 -0.426 9.907 1.00 54.21 C ATOM 1074 C CYS A 65 1.128 0.244 10.213 1.00 53.42 C ATOM 1075 O CYS A 65 2.139 -0.432 10.364 1.00 50.52 O ATOM 1076 CB CYS A 65 -0.379 -0.655 8.379 1.00 62.33 C ATOM 1077 SG CYS A 65 1.025 -1.505 7.544 1.00 72.31 S ATOM 0 H CYS A 65 -1.950 0.739 9.708 1.00 23.05 H new ATOM 0 HA CYS A 65 -0.216 -1.393 10.410 1.00 54.21 H new ATOM 0 HB2 CYS A 65 -1.284 -1.239 8.213 1.00 62.33 H new ATOM 0 HB3 CYS A 65 -0.531 0.312 7.900 1.00 62.33 H new ATOM 1082 N LEU A 66 1.106 1.569 10.367 1.00 51.12 N ATOM 1083 CA LEU A 66 2.289 2.392 10.591 1.00 4.44 C ATOM 1084 C LEU A 66 3.092 1.886 11.821 1.00 13.45 C ATOM 1085 O LEU A 66 4.328 1.969 11.855 1.00 54.14 O ATOM 1086 CB LEU A 66 1.802 3.867 10.761 1.00 42.23 C ATOM 1087 CG LEU A 66 2.812 5.032 10.671 1.00 4.14 C ATOM 1088 CD1 LEU A 66 3.791 5.056 11.800 1.00 75.34 C ATOM 1089 CD2 LEU A 66 3.534 4.997 9.357 1.00 10.54 C ATOM 0 H LEU A 66 0.242 2.110 10.338 1.00 51.12 H new ATOM 0 HA LEU A 66 2.975 2.331 9.746 1.00 4.44 H new ATOM 0 HB2 LEU A 66 1.036 4.044 10.006 1.00 42.23 H new ATOM 0 HB3 LEU A 66 1.314 3.937 11.733 1.00 42.23 H new ATOM 0 HG LEU A 66 2.230 5.951 10.746 1.00 4.14 H new ATOM 0 HD11 LEU A 66 4.471 5.899 11.674 1.00 75.34 H new ATOM 0 HD12 LEU A 66 3.256 5.159 12.744 1.00 75.34 H new ATOM 0 HD13 LEU A 66 4.362 4.128 11.806 1.00 75.34 H new ATOM 0 HD21 LEU A 66 4.242 5.824 9.309 1.00 10.54 H new ATOM 0 HD22 LEU A 66 4.071 4.053 9.262 1.00 10.54 H new ATOM 0 HD23 LEU A 66 2.814 5.088 8.544 1.00 10.54 H new ATOM 1101 N ASN A 67 2.397 1.348 12.815 1.00 21.12 N ATOM 1102 CA ASN A 67 3.076 0.827 14.000 1.00 73.13 C ATOM 1103 C ASN A 67 2.966 -0.692 14.092 1.00 31.23 C ATOM 1104 O ASN A 67 3.383 -1.294 15.079 1.00 33.42 O ATOM 1105 CB ASN A 67 2.569 1.477 15.304 1.00 22.44 C ATOM 1106 CG ASN A 67 2.846 2.979 15.413 1.00 15.33 C ATOM 1107 OD1 ASN A 67 3.890 3.457 14.773 1.00 35.54 O flip ATOM 1108 ND2 ASN A 67 2.111 3.702 16.070 1.00 34.42 N flip ATOM 0 H ASN A 67 1.381 1.260 12.828 1.00 21.12 H new ATOM 0 HA ASN A 67 4.127 1.092 13.885 1.00 73.13 H new ATOM 0 HB2 ASN A 67 1.495 1.312 15.384 1.00 22.44 H new ATOM 0 HB3 ASN A 67 3.033 0.972 16.151 1.00 22.44 H new ATOM 0 HD21 ASN A 67 1.307 3.305 16.557 1.00 34.42 H new ATOM 0 HD22 ASN A 67 2.301 4.702 16.131 1.00 34.42 H new ATOM 1404 N GLY B 119 -14.761 5.801 -9.786 1.00 1.43 N ATOM 1405 CA GLY B 119 -15.760 6.784 -9.550 1.00 2.12 C ATOM 1406 C GLY B 119 -17.069 6.168 -9.828 1.00 1.42 C ATOM 1407 O GLY B 119 -17.686 6.433 -10.866 1.00 22.01 O ATOM 0 HA2 GLY B 119 -15.714 7.136 -8.519 1.00 2.12 H new ATOM 0 HA3 GLY B 119 -15.602 7.652 -10.191 1.00 2.12 H new ATOM 1411 N ASP B 120 -17.492 5.320 -8.930 1.00 32.13 N ATOM 1412 CA ASP B 120 -18.644 4.508 -9.187 1.00 23.20 C ATOM 1413 C ASP B 120 -19.618 4.570 -8.038 1.00 24.35 C ATOM 1414 O ASP B 120 -20.809 4.839 -8.225 1.00 14.52 O ATOM 1415 CB ASP B 120 -18.162 3.093 -9.374 1.00 1.44 C ATOM 1416 CG ASP B 120 -19.216 2.159 -9.924 1.00 35.35 C ATOM 1417 OD1 ASP B 120 -19.965 1.561 -9.146 1.00 33.00 O ATOM 1418 OD2 ASP B 120 -19.272 1.987 -11.168 1.00 54.22 O ATOM 0 H ASP B 120 -17.057 5.176 -8.019 1.00 32.13 H new ATOM 0 HA ASP B 120 -19.163 4.868 -10.075 1.00 23.20 H new ATOM 0 HB2 ASP B 120 -17.305 3.097 -10.048 1.00 1.44 H new ATOM 0 HB3 ASP B 120 -17.812 2.708 -8.416 1.00 1.44 H new ATOM 1447 N ASP B 122 -20.374 6.718 -5.782 1.00 54.20 N ATOM 1448 CA ASP B 122 -20.298 8.150 -5.439 1.00 21.33 C ATOM 1449 C ASP B 122 -18.903 8.681 -5.663 1.00 31.23 C ATOM 1450 O ASP B 122 -18.685 9.525 -6.545 1.00 22.42 O ATOM 1451 CB ASP B 122 -20.782 8.471 -4.027 1.00 14.13 C ATOM 1452 CG ASP B 122 -22.271 8.283 -3.828 1.00 53.23 C ATOM 1453 OD1 ASP B 122 -23.046 9.212 -4.158 1.00 32.01 O ATOM 1454 OD2 ASP B 122 -22.698 7.202 -3.324 1.00 30.34 O ATOM 0 HA ASP B 122 -20.987 8.658 -6.114 1.00 21.33 H new ATOM 0 HB2 ASP B 122 -20.248 7.837 -3.318 1.00 14.13 H new ATOM 0 HB3 ASP B 122 -20.522 9.503 -3.791 1.00 14.13 H new ATOM 1459 N SER B 123 -17.965 8.177 -4.875 1.00 53.22 N ATOM 1460 CA SER B 123 -16.561 8.459 -5.027 1.00 43.21 C ATOM 1461 C SER B 123 -16.156 9.949 -4.838 1.00 1.15 C ATOM 1462 O SER B 123 -16.027 10.682 -5.806 1.00 35.14 O ATOM 1463 CB SER B 123 -16.077 7.831 -6.348 1.00 31.51 C ATOM 1464 OG SER B 123 -14.743 8.169 -6.694 1.00 42.15 O ATOM 0 H SER B 123 -18.172 7.549 -4.099 1.00 53.22 H new ATOM 0 HA SER B 123 -16.033 7.992 -4.196 1.00 43.21 H new ATOM 0 HB2 SER B 123 -16.158 6.747 -6.274 1.00 31.51 H new ATOM 0 HB3 SER B 123 -16.741 8.146 -7.153 1.00 31.51 H new ATOM 0 HG SER B 123 -14.215 8.294 -5.878 1.00 42.15 H new ATOM 1470 N MET B 124 -15.997 10.348 -3.543 1.00 32.21 N ATOM 1471 CA MET B 124 -15.554 11.712 -3.047 1.00 15.25 C ATOM 1472 C MET B 124 -15.464 11.699 -1.515 1.00 30.14 C ATOM 1473 O MET B 124 -16.500 11.653 -0.838 1.00 1.11 O ATOM 1474 CB MET B 124 -16.519 12.879 -3.440 1.00 41.13 C ATOM 1475 CG MET B 124 -16.490 13.310 -4.889 1.00 14.41 C ATOM 1476 SD MET B 124 -17.627 14.665 -5.264 1.00 75.41 S ATOM 1477 CE MET B 124 -19.208 13.928 -4.834 1.00 33.31 C ATOM 0 H MET B 124 -16.179 9.708 -2.770 1.00 32.21 H new ATOM 0 HA MET B 124 -14.591 11.895 -3.523 1.00 15.25 H new ATOM 0 HB2 MET B 124 -17.537 12.580 -3.192 1.00 41.13 H new ATOM 0 HB3 MET B 124 -16.281 13.744 -2.821 1.00 41.13 H new ATOM 0 HG2 MET B 124 -15.476 13.615 -5.148 1.00 14.41 H new ATOM 0 HG3 MET B 124 -16.737 12.455 -5.519 1.00 14.41 H new ATOM 0 HE1 MET B 124 -19.958 14.221 -5.569 1.00 33.31 H new ATOM 0 HE2 MET B 124 -19.113 12.842 -4.825 1.00 33.31 H new ATOM 0 HE3 MET B 124 -19.514 14.274 -3.847 1.00 33.31 H new ATOM 1487 N LYS B 125 -14.265 11.721 -0.949 1.00 24.33 N ATOM 1488 CA LYS B 125 -14.137 11.734 0.493 1.00 45.53 C ATOM 1489 C LYS B 125 -13.016 12.705 0.941 1.00 35.25 C ATOM 1490 O LYS B 125 -12.219 13.161 0.126 1.00 34.34 O ATOM 1491 CB LYS B 125 -13.913 10.301 1.019 1.00 54.41 C ATOM 1492 CG LYS B 125 -13.900 10.168 2.504 1.00 3.44 C ATOM 1493 CD LYS B 125 -15.211 10.611 3.111 1.00 64.44 C ATOM 1494 CE LYS B 125 -15.157 10.485 4.597 1.00 12.43 C ATOM 1495 NZ LYS B 125 -16.429 10.890 5.241 1.00 71.25 N ATOM 0 H LYS B 125 -13.383 11.730 -1.461 1.00 24.33 H new ATOM 0 HA LYS B 125 -15.065 12.104 0.928 1.00 45.53 H new ATOM 0 HB2 LYS B 125 -14.696 9.657 0.619 1.00 54.41 H new ATOM 0 HB3 LYS B 125 -12.965 9.931 0.628 1.00 54.41 H new ATOM 0 HG2 LYS B 125 -13.704 9.131 2.776 1.00 3.44 H new ATOM 0 HG3 LYS B 125 -13.087 10.765 2.917 1.00 3.44 H new ATOM 0 HD2 LYS B 125 -15.418 11.644 2.833 1.00 64.44 H new ATOM 0 HD3 LYS B 125 -16.027 10.005 2.716 1.00 64.44 H new ATOM 0 HE2 LYS B 125 -14.929 9.453 4.864 1.00 12.43 H new ATOM 0 HE3 LYS B 125 -14.345 11.101 4.983 1.00 12.43 H new ATOM 0 HZ1 LYS B 125 -16.345 10.786 6.272 1.00 71.25 H new ATOM 0 HZ2 LYS B 125 -16.635 11.883 5.009 1.00 71.25 H new ATOM 0 HZ3 LYS B 125 -17.201 10.286 4.894 1.00 71.25 H new ATOM 1509 N GLU B 126 -12.992 13.014 2.226 1.00 74.45 N ATOM 1510 CA GLU B 126 -12.054 13.929 2.839 1.00 43.25 C ATOM 1511 C GLU B 126 -11.484 13.249 4.098 1.00 30.10 C ATOM 1512 O GLU B 126 -12.138 12.341 4.641 1.00 73.33 O ATOM 1513 CB GLU B 126 -12.828 15.201 3.216 1.00 42.14 C ATOM 1514 CG GLU B 126 -13.960 14.950 4.207 1.00 2.31 C ATOM 1515 CD GLU B 126 -14.891 16.115 4.360 1.00 64.35 C ATOM 1516 OE1 GLU B 126 -14.568 17.082 5.097 1.00 31.13 O ATOM 1517 OE2 GLU B 126 -15.982 16.079 3.760 1.00 40.10 O ATOM 0 H GLU B 126 -13.653 12.617 2.894 1.00 74.45 H new ATOM 0 HA GLU B 126 -11.234 14.187 2.169 1.00 43.25 H new ATOM 0 HB2 GLU B 126 -12.135 15.926 3.643 1.00 42.14 H new ATOM 0 HB3 GLU B 126 -13.240 15.648 2.311 1.00 42.14 H new ATOM 0 HG2 GLU B 126 -14.530 14.080 3.882 1.00 2.31 H new ATOM 0 HG3 GLU B 126 -13.533 14.706 5.180 1.00 2.31 H new ATOM 1524 N PRO B 127 -10.268 13.644 4.578 1.00 13.41 N ATOM 1525 CA PRO B 127 -9.653 13.039 5.753 1.00 31.33 C ATOM 1526 C PRO B 127 -10.433 13.306 7.028 1.00 43.14 C ATOM 1527 O PRO B 127 -11.254 14.225 7.102 1.00 73.25 O ATOM 1528 CB PRO B 127 -8.276 13.722 5.847 1.00 2.34 C ATOM 1529 CG PRO B 127 -8.053 14.321 4.520 1.00 70.15 C ATOM 1530 CD PRO B 127 -9.406 14.690 4.019 1.00 15.14 C ATOM 0 HA PRO B 127 -9.610 11.954 5.654 1.00 31.33 H new ATOM 0 HB2 PRO B 127 -8.265 14.481 6.629 1.00 2.34 H new ATOM 0 HB3 PRO B 127 -7.495 13.002 6.091 1.00 2.34 H new ATOM 0 HG2 PRO B 127 -7.407 15.196 4.588 1.00 70.15 H new ATOM 0 HG3 PRO B 127 -7.564 13.616 3.848 1.00 70.15 H new ATOM 0 HD2 PRO B 127 -9.704 15.682 4.359 1.00 15.14 H new ATOM 0 HD3 PRO B 127 -9.442 14.702 2.930 1.00 15.14 H new ATOM 1855 N CYS C 209 0.771 -15.946 5.870 1.00 71.11 N ATOM 1856 CA CYS C 209 1.574 -14.781 5.713 1.00 21.14 C ATOM 1857 C CYS C 209 2.516 -15.076 4.558 1.00 51.20 C ATOM 1858 O CYS C 209 3.138 -16.133 4.531 1.00 72.43 O ATOM 1859 CB CYS C 209 2.369 -14.483 7.004 1.00 53.14 C ATOM 1860 SG CYS C 209 3.331 -12.921 6.984 1.00 13.14 S ATOM 0 HA CYS C 209 0.962 -13.901 5.514 1.00 21.14 H new ATOM 0 HB2 CYS C 209 1.672 -14.452 7.842 1.00 53.14 H new ATOM 0 HB3 CYS C 209 3.054 -15.311 7.190 1.00 53.14 H new ATOM 1865 N PRO C 210 2.608 -14.174 3.581 1.00 10.15 N ATOM 1866 CA PRO C 210 3.472 -14.352 2.419 1.00 43.40 C ATOM 1867 C PRO C 210 4.945 -14.107 2.717 1.00 41.11 C ATOM 1868 O PRO C 210 5.816 -14.943 2.416 1.00 55.44 O ATOM 1869 CB PRO C 210 2.962 -13.291 1.425 1.00 61.45 C ATOM 1870 CG PRO C 210 1.713 -12.744 2.013 1.00 45.42 C ATOM 1871 CD PRO C 210 1.821 -12.949 3.479 1.00 33.11 C ATOM 0 HA PRO C 210 3.425 -15.378 2.053 1.00 43.40 H new ATOM 0 HB2 PRO C 210 3.702 -12.504 1.281 1.00 61.45 H new ATOM 0 HB3 PRO C 210 2.772 -13.733 0.447 1.00 61.45 H new ATOM 0 HG2 PRO C 210 1.602 -11.686 1.775 1.00 45.42 H new ATOM 0 HG3 PRO C 210 0.838 -13.255 1.612 1.00 45.42 H new ATOM 0 HD2 PRO C 210 2.315 -12.110 3.969 1.00 33.11 H new ATOM 0 HD3 PRO C 210 0.842 -13.058 3.945 1.00 33.11 H new ATOM 1879 N CYS C 211 5.223 -12.977 3.261 1.00 31.44 N ATOM 1880 CA CYS C 211 6.553 -12.578 3.554 1.00 63.23 C ATOM 1881 C CYS C 211 6.857 -12.819 5.010 1.00 12.45 C ATOM 1882 O CYS C 211 6.349 -12.122 5.890 1.00 25.02 O ATOM 1883 CB CYS C 211 6.729 -11.121 3.194 1.00 52.21 C ATOM 1884 SG CYS C 211 6.245 -10.756 1.472 1.00 65.12 S ATOM 0 H CYS C 211 4.517 -12.288 3.521 1.00 31.44 H new ATOM 0 HA CYS C 211 7.253 -13.170 2.964 1.00 63.23 H new ATOM 0 HB2 CYS C 211 6.133 -10.509 3.872 1.00 52.21 H new ATOM 0 HB3 CYS C 211 7.771 -10.838 3.342 1.00 52.21 H new ATOM 1889 N ARG C 212 7.664 -13.808 5.264 1.00 24.11 N ATOM 1890 CA ARG C 212 8.041 -14.142 6.599 1.00 34.31 C ATOM 1891 C ARG C 212 9.087 -13.146 7.067 1.00 70.31 C ATOM 1892 O ARG C 212 9.073 -12.679 8.209 1.00 74.12 O ATOM 1893 CB ARG C 212 8.552 -15.580 6.641 1.00 71.23 C ATOM 1894 CG ARG C 212 8.995 -16.049 7.997 1.00 25.21 C ATOM 1895 CD ARG C 212 9.381 -17.508 7.969 1.00 41.32 C ATOM 1896 NE ARG C 212 9.930 -17.952 9.250 1.00 4.52 N ATOM 1897 CZ ARG C 212 10.157 -19.226 9.574 1.00 44.02 C ATOM 1898 NH1 ARG C 212 9.656 -20.203 8.829 1.00 72.44 N ATOM 1899 NH2 ARG C 212 10.821 -19.524 10.684 1.00 22.33 N ATOM 0 H ARG C 212 8.078 -14.404 4.547 1.00 24.11 H new ATOM 0 HA ARG C 212 7.187 -14.084 7.274 1.00 34.31 H new ATOM 0 HB2 ARG C 212 7.764 -16.242 6.282 1.00 71.23 H new ATOM 0 HB3 ARG C 212 9.388 -15.675 5.948 1.00 71.23 H new ATOM 0 HG2 ARG C 212 9.843 -15.452 8.332 1.00 25.21 H new ATOM 0 HG3 ARG C 212 8.192 -15.896 8.718 1.00 25.21 H new ATOM 0 HD2 ARG C 212 8.507 -18.110 7.721 1.00 41.32 H new ATOM 0 HD3 ARG C 212 10.117 -17.674 7.182 1.00 41.32 H new ATOM 0 HE ARG C 212 10.155 -17.238 9.943 1.00 4.52 H new ATOM 0 HH11 ARG C 212 9.096 -19.981 8.006 1.00 72.44 H new ATOM 0 HH12 ARG C 212 9.831 -21.176 9.079 1.00 72.44 H new ATOM 0 HH21 ARG C 212 11.159 -18.778 11.292 1.00 22.33 H new ATOM 0 HH22 ARG C 212 10.993 -20.499 10.929 1.00 22.33 H new ATOM 1913 N PHE C 213 9.977 -12.806 6.172 1.00 63.33 N ATOM 1914 CA PHE C 213 10.953 -11.798 6.428 1.00 21.13 C ATOM 1915 C PHE C 213 10.840 -10.704 5.392 1.00 33.34 C ATOM 1916 O PHE C 213 10.785 -10.959 4.187 1.00 61.32 O ATOM 1917 CB PHE C 213 12.370 -12.366 6.505 1.00 33.23 C ATOM 1918 CG PHE C 213 12.582 -13.296 7.671 1.00 11.01 C ATOM 1919 CD1 PHE C 213 12.938 -12.794 8.908 1.00 41.43 C ATOM 1920 CD2 PHE C 213 12.420 -14.665 7.532 1.00 55.30 C ATOM 1921 CE1 PHE C 213 13.131 -13.634 9.982 1.00 21.23 C ATOM 1922 CE2 PHE C 213 12.610 -15.509 8.603 1.00 44.44 C ATOM 1923 CZ PHE C 213 12.965 -14.992 9.829 1.00 63.44 C ATOM 0 H PHE C 213 10.040 -13.226 5.245 1.00 63.33 H new ATOM 0 HA PHE C 213 10.751 -11.371 7.410 1.00 21.13 H new ATOM 0 HB2 PHE C 213 12.590 -12.900 5.580 1.00 33.23 H new ATOM 0 HB3 PHE C 213 13.080 -11.542 6.574 1.00 33.23 H new ATOM 0 HD1 PHE C 213 13.067 -11.729 9.034 1.00 41.43 H new ATOM 0 HD2 PHE C 213 12.141 -15.075 6.572 1.00 55.30 H new ATOM 0 HE1 PHE C 213 13.412 -13.228 10.943 1.00 21.23 H new ATOM 0 HE2 PHE C 213 12.481 -16.574 8.482 1.00 44.44 H new ATOM 0 HZ PHE C 213 13.113 -15.652 10.671 1.00 63.44 H new ATOM 1933 N PHE C 214 10.794 -9.508 5.868 1.00 41.51 N ATOM 1934 CA PHE C 214 10.619 -8.336 5.060 1.00 10.11 C ATOM 1935 C PHE C 214 11.762 -7.331 5.241 1.00 12.22 C ATOM 1936 O PHE C 214 12.120 -6.971 6.368 1.00 13.44 O ATOM 1937 CB PHE C 214 9.217 -7.730 5.276 1.00 63.54 C ATOM 1938 CG PHE C 214 8.694 -7.811 6.698 1.00 10.14 C ATOM 1939 CD1 PHE C 214 9.166 -6.977 7.688 1.00 72.14 C ATOM 1940 CD2 PHE C 214 7.719 -8.745 7.027 1.00 13.21 C ATOM 1941 CE1 PHE C 214 8.678 -7.065 8.979 1.00 52.03 C ATOM 1942 CE2 PHE C 214 7.228 -8.838 8.314 1.00 24.00 C ATOM 1943 CZ PHE C 214 7.709 -7.996 9.289 1.00 25.51 C ATOM 0 H PHE C 214 10.879 -9.305 6.864 1.00 41.51 H new ATOM 0 HA PHE C 214 10.671 -8.631 4.012 1.00 10.11 H new ATOM 0 HB2 PHE C 214 9.240 -6.683 4.973 1.00 63.54 H new ATOM 0 HB3 PHE C 214 8.513 -8.238 4.617 1.00 63.54 H new ATOM 0 HD1 PHE C 214 9.926 -6.246 7.453 1.00 72.14 H new ATOM 0 HD2 PHE C 214 7.339 -9.408 6.264 1.00 13.21 H new ATOM 0 HE1 PHE C 214 9.056 -6.404 9.745 1.00 52.03 H new ATOM 0 HE2 PHE C 214 6.470 -9.569 8.554 1.00 24.00 H new ATOM 0 HZ PHE C 214 7.328 -8.064 10.297 1.00 25.51 H new ATOM 1953 N GLU C 215 12.321 -6.917 4.123 1.00 75.13 N ATOM 1954 CA GLU C 215 13.473 -6.036 4.047 1.00 64.11 C ATOM 1955 C GLU C 215 13.194 -4.642 4.623 1.00 44.23 C ATOM 1956 O GLU C 215 12.101 -4.088 4.482 1.00 23.23 O ATOM 1957 CB GLU C 215 13.950 -5.943 2.576 1.00 22.22 C ATOM 1958 CG GLU C 215 14.978 -4.859 2.295 1.00 50.14 C ATOM 1959 CD GLU C 215 16.314 -4.999 2.997 1.00 62.22 C ATOM 1960 OE1 GLU C 215 16.339 -5.195 4.233 1.00 51.40 O ATOM 1961 OE2 GLU C 215 17.337 -4.835 2.330 1.00 23.53 O ATOM 0 H GLU C 215 11.973 -7.195 3.205 1.00 75.13 H new ATOM 0 HA GLU C 215 14.263 -6.465 4.664 1.00 64.11 H new ATOM 0 HB2 GLU C 215 14.372 -6.905 2.286 1.00 22.22 H new ATOM 0 HB3 GLU C 215 13.082 -5.771 1.940 1.00 22.22 H new ATOM 0 HG2 GLU C 215 15.158 -4.829 1.220 1.00 50.14 H new ATOM 0 HG3 GLU C 215 14.545 -3.898 2.572 1.00 50.14 H new ATOM 1968 N SER C 216 14.198 -4.105 5.251 1.00 52.21 N ATOM 1969 CA SER C 216 14.160 -2.829 5.864 1.00 4.23 C ATOM 1970 C SER C 216 15.285 -1.927 5.334 1.00 42.44 C ATOM 1971 O SER C 216 15.231 -0.716 5.456 1.00 71.12 O ATOM 1972 CB SER C 216 14.301 -3.003 7.350 1.00 60.25 C ATOM 1973 OG SER C 216 15.443 -3.796 7.660 1.00 71.53 O ATOM 0 H SER C 216 15.100 -4.572 5.349 1.00 52.21 H new ATOM 0 HA SER C 216 13.209 -2.350 5.629 1.00 4.23 H new ATOM 0 HB2 SER C 216 14.389 -2.027 7.828 1.00 60.25 H new ATOM 0 HB3 SER C 216 13.405 -3.475 7.752 1.00 60.25 H new ATOM 0 HG SER C 216 15.397 -4.085 8.595 1.00 71.53 H new ATOM 1979 N HIS C 217 16.292 -2.524 4.745 1.00 2.13 N ATOM 1980 CA HIS C 217 17.451 -1.776 4.247 1.00 23.10 C ATOM 1981 C HIS C 217 17.334 -1.585 2.741 1.00 72.41 C ATOM 1982 O HIS C 217 18.314 -1.256 2.071 1.00 43.13 O ATOM 1983 CB HIS C 217 18.756 -2.539 4.535 1.00 42.51 C ATOM 1984 CG HIS C 217 19.016 -2.877 5.975 1.00 2.54 C ATOM 1985 ND1 HIS C 217 19.972 -3.781 6.359 1.00 33.01 N ATOM 1986 CD2 HIS C 217 18.455 -2.425 7.121 1.00 61.53 C ATOM 1987 CE1 HIS C 217 19.990 -3.873 7.667 1.00 63.13 C ATOM 1988 NE2 HIS C 217 19.083 -3.062 8.157 1.00 52.42 N ATOM 0 H HIS C 217 16.345 -3.531 4.592 1.00 2.13 H new ATOM 0 HA HIS C 217 17.472 -0.811 4.754 1.00 23.10 H new ATOM 0 HB2 HIS C 217 18.746 -3.465 3.961 1.00 42.51 H new ATOM 0 HB3 HIS C 217 19.591 -1.944 4.165 1.00 42.51 H new ATOM 0 HD2 HIS C 217 17.661 -1.698 7.203 1.00 61.53 H new ATOM 0 HE1 HIS C 217 20.643 -4.510 8.245 1.00 63.13 H new ATOM 0 HE2 HIS C 217 18.879 -2.928 9.147 1.00 52.42 H new ATOM 1997 N VAL C 218 16.134 -1.778 2.223 1.00 50.12 N ATOM 1998 CA VAL C 218 15.873 -1.726 0.786 1.00 4.03 C ATOM 1999 C VAL C 218 16.148 -0.324 0.230 1.00 4.44 C ATOM 2000 O VAL C 218 16.116 0.679 0.975 1.00 74.32 O ATOM 2001 CB VAL C 218 14.400 -2.126 0.464 1.00 5.52 C ATOM 2002 CG1 VAL C 218 13.419 -1.081 0.933 1.00 44.13 C ATOM 2003 CG2 VAL C 218 14.204 -2.498 -1.003 1.00 30.24 C ATOM 0 H VAL C 218 15.306 -1.976 2.785 1.00 50.12 H new ATOM 0 HA VAL C 218 16.546 -2.440 0.311 1.00 4.03 H new ATOM 0 HB VAL C 218 14.188 -3.031 1.033 1.00 5.52 H new ATOM 0 HG11 VAL C 218 12.405 -1.398 0.689 1.00 44.13 H new ATOM 0 HG12 VAL C 218 13.510 -0.954 2.012 1.00 44.13 H new ATOM 0 HG13 VAL C 218 13.632 -0.134 0.437 1.00 44.13 H new ATOM 0 HG21 VAL C 218 13.162 -2.768 -1.174 1.00 30.24 H new ATOM 0 HG22 VAL C 218 14.466 -1.647 -1.632 1.00 30.24 H new ATOM 0 HG23 VAL C 218 14.844 -3.344 -1.252 1.00 30.24 H new ATOM 2013 N ALA C 219 16.398 -0.255 -1.048 1.00 15.03 N ATOM 2014 CA ALA C 219 16.657 0.983 -1.688 1.00 12.45 C ATOM 2015 C ALA C 219 15.357 1.569 -2.190 1.00 14.10 C ATOM 2016 O ALA C 219 14.740 1.042 -3.124 1.00 33.40 O ATOM 2017 CB ALA C 219 17.651 0.800 -2.828 1.00 10.34 C ATOM 0 H ALA C 219 16.426 -1.064 -1.668 1.00 15.03 H new ATOM 0 HA ALA C 219 17.102 1.673 -0.971 1.00 12.45 H new ATOM 0 HB1 ALA C 219 17.837 1.762 -3.307 1.00 10.34 H new ATOM 0 HB2 ALA C 219 18.587 0.404 -2.434 1.00 10.34 H new ATOM 0 HB3 ALA C 219 17.241 0.104 -3.560 1.00 10.34 H new ATOM 2023 N ARG C 220 14.939 2.646 -1.562 1.00 54.24 N ATOM 2024 CA ARG C 220 13.728 3.363 -1.929 1.00 54.11 C ATOM 2025 C ARG C 220 13.826 3.879 -3.365 1.00 63.33 C ATOM 2026 O ARG C 220 12.826 4.008 -4.061 1.00 30.44 O ATOM 2027 CB ARG C 220 13.488 4.505 -0.917 1.00 4.15 C ATOM 2028 CG ARG C 220 12.368 5.492 -1.258 1.00 41.12 C ATOM 2029 CD ARG C 220 11.023 4.839 -1.502 1.00 74.42 C ATOM 2030 NE ARG C 220 9.988 5.848 -1.726 1.00 22.15 N ATOM 2031 CZ ARG C 220 9.004 5.773 -2.632 1.00 4.01 C ATOM 2032 NH1 ARG C 220 8.924 4.740 -3.477 1.00 62.23 N ATOM 2033 NH2 ARG C 220 8.119 6.747 -2.706 1.00 63.04 N ATOM 0 H ARG C 220 15.434 3.057 -0.771 1.00 54.24 H new ATOM 0 HA ARG C 220 12.872 2.689 -1.892 1.00 54.11 H new ATOM 0 HB2 ARG C 220 13.268 4.061 0.054 1.00 4.15 H new ATOM 0 HB3 ARG C 220 14.416 5.066 -0.808 1.00 4.15 H new ATOM 0 HG2 ARG C 220 12.269 6.209 -0.443 1.00 41.12 H new ATOM 0 HG3 ARG C 220 12.653 6.056 -2.146 1.00 41.12 H new ATOM 0 HD2 ARG C 220 11.086 4.178 -2.367 1.00 74.42 H new ATOM 0 HD3 ARG C 220 10.754 4.220 -0.646 1.00 74.42 H new ATOM 0 HE ARG C 220 10.018 6.683 -1.141 1.00 22.15 H new ATOM 0 HH11 ARG C 220 9.618 3.994 -3.438 1.00 62.23 H new ATOM 0 HH12 ARG C 220 8.168 4.698 -4.161 1.00 62.23 H new ATOM 0 HH21 ARG C 220 8.188 7.547 -2.077 1.00 63.04 H new ATOM 0 HH22 ARG C 220 7.366 6.700 -3.392 1.00 63.04 H new ATOM 2047 N ALA C 221 15.038 4.119 -3.804 1.00 50.32 N ATOM 2048 CA ALA C 221 15.297 4.589 -5.146 1.00 4.42 C ATOM 2049 C ALA C 221 15.131 3.481 -6.193 1.00 13.23 C ATOM 2050 O ALA C 221 15.122 3.759 -7.389 1.00 3.53 O ATOM 2051 CB ALA C 221 16.691 5.183 -5.229 1.00 4.21 C ATOM 0 H ALA C 221 15.878 3.994 -3.238 1.00 50.32 H new ATOM 0 HA ALA C 221 14.558 5.358 -5.370 1.00 4.42 H new ATOM 0 HB1 ALA C 221 16.877 5.534 -6.244 1.00 4.21 H new ATOM 0 HB2 ALA C 221 16.772 6.019 -4.535 1.00 4.21 H new ATOM 0 HB3 ALA C 221 17.427 4.422 -4.968 1.00 4.21 H new ATOM 2057 N ASN C 222 15.008 2.231 -5.751 1.00 43.15 N ATOM 2058 CA ASN C 222 14.923 1.097 -6.682 1.00 22.03 C ATOM 2059 C ASN C 222 13.591 0.365 -6.561 1.00 60.33 C ATOM 2060 O ASN C 222 13.352 -0.612 -7.229 1.00 22.32 O ATOM 2061 CB ASN C 222 16.096 0.157 -6.434 1.00 11.43 C ATOM 2062 CG ASN C 222 16.256 -0.974 -7.445 1.00 41.00 C ATOM 2063 OD1 ASN C 222 15.934 -0.831 -8.618 1.00 4.43 O ATOM 2064 ND2 ASN C 222 16.760 -2.090 -6.996 1.00 22.21 N ATOM 0 H ASN C 222 14.965 1.974 -4.765 1.00 43.15 H new ATOM 0 HA ASN C 222 14.976 1.476 -7.702 1.00 22.03 H new ATOM 0 HB2 ASN C 222 17.014 0.745 -6.424 1.00 11.43 H new ATOM 0 HB3 ASN C 222 15.986 -0.279 -5.441 1.00 11.43 H new ATOM 0 HD21 ASN C 222 16.897 -2.879 -7.628 1.00 22.21 H new ATOM 0 HD22 ASN C 222 17.017 -2.174 -6.013 1.00 22.21 H new ATOM 2071 N VAL C 223 12.718 0.840 -5.725 1.00 52.44 N ATOM 2072 CA VAL C 223 11.417 0.221 -5.649 1.00 40.24 C ATOM 2073 C VAL C 223 10.409 0.960 -6.537 1.00 63.24 C ATOM 2074 O VAL C 223 10.372 2.189 -6.565 1.00 52.52 O ATOM 2075 CB VAL C 223 10.880 0.092 -4.201 1.00 71.13 C ATOM 2076 CG1 VAL C 223 11.802 -0.790 -3.369 1.00 41.24 C ATOM 2077 CG2 VAL C 223 10.713 1.454 -3.548 1.00 72.14 C ATOM 0 H VAL C 223 12.869 1.631 -5.099 1.00 52.44 H new ATOM 0 HA VAL C 223 11.543 -0.796 -6.021 1.00 40.24 H new ATOM 0 HB VAL C 223 9.897 -0.376 -4.250 1.00 71.13 H new ATOM 0 HG11 VAL C 223 11.411 -0.870 -2.355 1.00 41.24 H new ATOM 0 HG12 VAL C 223 11.857 -1.782 -3.816 1.00 41.24 H new ATOM 0 HG13 VAL C 223 12.798 -0.349 -3.340 1.00 41.24 H new ATOM 0 HG21 VAL C 223 10.335 1.327 -2.534 1.00 72.14 H new ATOM 0 HG22 VAL C 223 11.677 1.962 -3.515 1.00 72.14 H new ATOM 0 HG23 VAL C 223 10.008 2.051 -4.126 1.00 72.14 H new ATOM 2087 N LYS C 224 9.651 0.192 -7.298 1.00 1.25 N ATOM 2088 CA LYS C 224 8.625 0.697 -8.179 1.00 34.24 C ATOM 2089 C LYS C 224 7.453 1.330 -7.382 1.00 72.01 C ATOM 2090 O LYS C 224 7.113 2.486 -7.569 1.00 63.32 O ATOM 2091 CB LYS C 224 8.051 -0.459 -9.011 1.00 50.41 C ATOM 2092 CG LYS C 224 6.962 -0.029 -9.963 1.00 75.33 C ATOM 2093 CD LYS C 224 6.271 -1.206 -10.650 1.00 64.21 C ATOM 2094 CE LYS C 224 7.194 -1.941 -11.589 1.00 41.42 C ATOM 2095 NZ LYS C 224 6.540 -3.072 -12.304 1.00 4.34 N ATOM 0 H LYS C 224 9.737 -0.824 -7.318 1.00 1.25 H new ATOM 0 HA LYS C 224 9.082 1.456 -8.815 1.00 34.24 H new ATOM 0 HB2 LYS C 224 8.857 -0.924 -9.579 1.00 50.41 H new ATOM 0 HB3 LYS C 224 7.656 -1.220 -8.338 1.00 50.41 H new ATOM 0 HG2 LYS C 224 6.219 0.553 -9.418 1.00 75.33 H new ATOM 0 HG3 LYS C 224 7.388 0.628 -10.721 1.00 75.33 H new ATOM 0 HD2 LYS C 224 5.899 -1.898 -9.894 1.00 64.21 H new ATOM 0 HD3 LYS C 224 5.405 -0.843 -11.204 1.00 64.21 H new ATOM 0 HE2 LYS C 224 7.588 -1.238 -12.323 1.00 41.42 H new ATOM 0 HE3 LYS C 224 8.045 -2.322 -11.024 1.00 41.42 H new ATOM 0 HZ1 LYS C 224 7.230 -3.532 -12.931 1.00 4.34 H new ATOM 0 HZ2 LYS C 224 6.187 -3.763 -11.611 1.00 4.34 H new ATOM 0 HZ3 LYS C 224 5.745 -2.712 -12.869 1.00 4.34 H new ATOM 2109 N HIS C 225 6.834 0.525 -6.510 1.00 42.54 N ATOM 2110 CA HIS C 225 5.654 0.958 -5.749 1.00 50.11 C ATOM 2111 C HIS C 225 5.524 0.076 -4.514 1.00 34.43 C ATOM 2112 O HIS C 225 6.315 -0.846 -4.341 1.00 40.12 O ATOM 2113 CB HIS C 225 4.334 0.828 -6.616 1.00 24.30 C ATOM 2114 CG HIS C 225 3.858 -0.604 -6.914 1.00 2.00 C ATOM 2115 ND1 HIS C 225 3.388 -1.566 -6.081 1.00 55.12 N flip ATOM 2116 CD2 HIS C 225 3.801 -1.163 -8.176 1.00 51.11 C flip ATOM 2117 CE1 HIS C 225 3.072 -2.652 -6.824 1.00 1.40 C flip ATOM 2118 NE2 HIS C 225 3.321 -2.398 -8.075 1.00 40.03 N flip ATOM 0 H HIS C 225 7.131 -0.431 -6.313 1.00 42.54 H new ATOM 0 HA HIS C 225 5.780 2.004 -5.471 1.00 50.11 H new ATOM 0 HB2 HIS C 225 3.532 1.356 -6.101 1.00 24.30 H new ATOM 0 HB3 HIS C 225 4.495 1.340 -7.565 1.00 24.30 H new ATOM 0 HD2 HIS C 225 4.098 -0.677 -9.093 1.00 51.11 H new ATOM 0 HE1 HIS C 225 2.676 -3.581 -6.440 1.00 1.40 H new ATOM 0 HE2 HIS C 225 3.172 -3.042 -8.852 1.00 40.03 H new ATOM 2127 N LEU C 226 4.494 0.311 -3.714 1.00 31.34 N ATOM 2128 CA LEU C 226 4.215 -0.511 -2.541 1.00 62.25 C ATOM 2129 C LEU C 226 2.878 -1.202 -2.703 1.00 21.40 C ATOM 2130 O LEU C 226 1.973 -0.664 -3.301 1.00 61.44 O ATOM 2131 CB LEU C 226 4.175 0.332 -1.264 1.00 54.14 C ATOM 2132 CG LEU C 226 5.451 1.047 -0.877 1.00 44.13 C ATOM 2133 CD1 LEU C 226 5.269 1.758 0.447 1.00 70.45 C ATOM 2134 CD2 LEU C 226 6.592 0.067 -0.798 1.00 54.33 C ATOM 0 H LEU C 226 3.830 1.072 -3.857 1.00 31.34 H new ATOM 0 HA LEU C 226 5.016 -1.245 -2.456 1.00 62.25 H new ATOM 0 HB2 LEU C 226 3.388 1.078 -1.374 1.00 54.14 H new ATOM 0 HB3 LEU C 226 3.886 -0.317 -0.438 1.00 54.14 H new ATOM 0 HG LEU C 226 5.685 1.790 -1.640 1.00 44.13 H new ATOM 0 HD11 LEU C 226 6.194 2.269 0.716 1.00 70.45 H new ATOM 0 HD12 LEU C 226 4.463 2.487 0.361 1.00 70.45 H new ATOM 0 HD13 LEU C 226 5.019 1.031 1.219 1.00 70.45 H new ATOM 0 HD21 LEU C 226 7.505 0.593 -0.519 1.00 54.33 H new ATOM 0 HD22 LEU C 226 6.368 -0.693 -0.049 1.00 54.33 H new ATOM 0 HD23 LEU C 226 6.730 -0.409 -1.769 1.00 54.33 H new ATOM 2146 N LYS C 227 2.772 -2.396 -2.220 1.00 2.12 N ATOM 2147 CA LYS C 227 1.527 -3.099 -2.233 1.00 13.25 C ATOM 2148 C LYS C 227 1.249 -3.653 -0.861 1.00 14.14 C ATOM 2149 O LYS C 227 2.015 -4.477 -0.363 1.00 3.34 O ATOM 2150 CB LYS C 227 1.551 -4.176 -3.275 1.00 70.54 C ATOM 2151 CG LYS C 227 0.263 -4.957 -3.362 1.00 12.24 C ATOM 2152 CD LYS C 227 0.248 -5.808 -4.592 1.00 11.12 C ATOM 2153 CE LYS C 227 1.453 -6.692 -4.667 1.00 25.30 C ATOM 2154 NZ LYS C 227 1.511 -7.665 -3.546 1.00 30.05 N ATOM 0 H LYS C 227 3.546 -2.914 -1.804 1.00 2.12 H new ATOM 0 HA LYS C 227 0.719 -2.415 -2.492 1.00 13.25 H new ATOM 0 HB2 LYS C 227 1.761 -3.727 -4.246 1.00 70.54 H new ATOM 0 HB3 LYS C 227 2.369 -4.863 -3.058 1.00 70.54 H new ATOM 0 HG2 LYS C 227 0.151 -5.584 -2.478 1.00 12.24 H new ATOM 0 HG3 LYS C 227 -0.584 -4.272 -3.377 1.00 12.24 H new ATOM 0 HD2 LYS C 227 -0.654 -6.420 -4.600 1.00 11.12 H new ATOM 0 HD3 LYS C 227 0.209 -5.171 -5.475 1.00 11.12 H new ATOM 0 HE2 LYS C 227 1.446 -7.232 -5.614 1.00 25.30 H new ATOM 0 HE3 LYS C 227 2.353 -6.077 -4.658 1.00 25.30 H new ATOM 0 HZ1 LYS C 227 2.294 -8.330 -3.704 1.00 30.05 H new ATOM 0 HZ2 LYS C 227 1.664 -7.156 -2.652 1.00 30.05 H new ATOM 0 HZ3 LYS C 227 0.615 -8.191 -3.496 1.00 30.05 H new ATOM 2168 N ILE C 228 0.154 -3.223 -0.258 1.00 10.11 N ATOM 2169 CA ILE C 228 -0.125 -3.558 1.113 1.00 32.54 C ATOM 2170 C ILE C 228 -1.242 -4.592 1.214 1.00 24.21 C ATOM 2171 O ILE C 228 -2.324 -4.438 0.629 1.00 33.20 O ATOM 2172 CB ILE C 228 -0.516 -2.297 1.941 1.00 23.25 C ATOM 2173 CG1 ILE C 228 0.529 -1.182 1.748 1.00 32.24 C ATOM 2174 CG2 ILE C 228 -0.631 -2.657 3.425 1.00 62.02 C ATOM 2175 CD1 ILE C 228 0.242 0.082 2.536 1.00 74.24 C ATOM 0 H ILE C 228 -0.554 -2.640 -0.705 1.00 10.11 H new ATOM 0 HA ILE C 228 0.791 -3.981 1.526 1.00 32.54 H new ATOM 0 HB ILE C 228 -1.482 -1.935 1.588 1.00 23.25 H new ATOM 0 HG12 ILE C 228 1.508 -1.563 2.038 1.00 32.24 H new ATOM 0 HG13 ILE C 228 0.585 -0.932 0.689 1.00 32.24 H new ATOM 0 HG21 ILE C 228 -0.905 -1.769 3.995 1.00 62.02 H new ATOM 0 HG22 ILE C 228 -1.396 -3.422 3.556 1.00 62.02 H new ATOM 0 HG23 ILE C 228 0.326 -3.037 3.782 1.00 62.02 H new ATOM 0 HD11 ILE C 228 1.025 0.816 2.344 1.00 74.24 H new ATOM 0 HD12 ILE C 228 -0.721 0.490 2.230 1.00 74.24 H new ATOM 0 HD13 ILE C 228 0.216 -0.151 3.601 1.00 74.24 H new ATOM 2187 N LEU C 229 -0.962 -5.640 1.930 1.00 34.51 N ATOM 2188 CA LEU C 229 -1.907 -6.687 2.207 1.00 62.42 C ATOM 2189 C LEU C 229 -1.940 -6.878 3.708 1.00 10.42 C ATOM 2190 O LEU C 229 -0.960 -6.629 4.378 1.00 32.23 O ATOM 2191 CB LEU C 229 -1.527 -8.049 1.525 1.00 61.22 C ATOM 2192 CG LEU C 229 -1.520 -8.132 -0.029 1.00 74.14 C ATOM 2193 CD1 LEU C 229 -0.395 -7.339 -0.659 1.00 70.12 C ATOM 2194 CD2 LEU C 229 -1.477 -9.572 -0.504 1.00 20.11 C ATOM 0 H LEU C 229 -0.046 -5.797 2.350 1.00 34.51 H new ATOM 0 HA LEU C 229 -2.877 -6.394 1.804 1.00 62.42 H new ATOM 0 HB2 LEU C 229 -0.533 -8.328 1.875 1.00 61.22 H new ATOM 0 HB3 LEU C 229 -2.219 -8.807 1.893 1.00 61.22 H new ATOM 0 HG LEU C 229 -2.455 -7.678 -0.357 1.00 74.14 H new ATOM 0 HD11 LEU C 229 -0.444 -7.437 -1.744 1.00 70.12 H new ATOM 0 HD12 LEU C 229 -0.492 -6.289 -0.384 1.00 70.12 H new ATOM 0 HD13 LEU C 229 0.562 -7.720 -0.303 1.00 70.12 H new ATOM 0 HD21 LEU C 229 -1.473 -9.596 -1.594 1.00 20.11 H new ATOM 0 HD22 LEU C 229 -0.574 -10.053 -0.127 1.00 20.11 H new ATOM 0 HD23 LEU C 229 -2.353 -10.104 -0.133 1.00 20.11 H new ATOM 2206 N ASN C 230 -3.058 -7.242 4.243 1.00 73.40 N ATOM 2207 CA ASN C 230 -3.146 -7.567 5.669 1.00 0.21 C ATOM 2208 C ASN C 230 -3.620 -8.967 5.812 1.00 54.43 C ATOM 2209 O ASN C 230 -4.647 -9.337 5.255 1.00 72.13 O ATOM 2210 CB ASN C 230 -4.016 -6.581 6.483 1.00 3.24 C ATOM 2211 CG ASN C 230 -3.330 -5.238 6.811 1.00 34.04 C ATOM 2212 OD1 ASN C 230 -2.391 -4.807 6.002 1.00 53.43 O flip ATOM 2213 ND2 ASN C 230 -3.633 -4.620 7.805 1.00 25.22 N flip ATOM 0 H ASN C 230 -3.937 -7.329 3.732 1.00 73.40 H new ATOM 0 HA ASN C 230 -2.148 -7.466 6.095 1.00 0.21 H new ATOM 0 HB2 ASN C 230 -4.931 -6.380 5.926 1.00 3.24 H new ATOM 0 HB3 ASN C 230 -4.310 -7.061 7.416 1.00 3.24 H new ATOM 0 HD21 ASN C 230 -4.366 -4.972 8.421 1.00 25.22 H new ATOM 0 HD22 ASN C 230 -3.156 -3.746 8.028 1.00 25.22 H new ATOM 2220 N THR C 231 -2.870 -9.745 6.521 1.00 11.21 N ATOM 2221 CA THR C 231 -3.114 -11.148 6.627 1.00 65.32 C ATOM 2222 C THR C 231 -3.630 -11.481 8.018 1.00 32.43 C ATOM 2223 O THR C 231 -3.494 -10.677 8.934 1.00 4.12 O ATOM 2224 CB THR C 231 -1.797 -11.905 6.397 1.00 72.21 C ATOM 2225 OG1 THR C 231 -0.853 -11.529 7.412 1.00 21.52 O ATOM 2226 CG2 THR C 231 -1.215 -11.577 5.029 1.00 42.02 C ATOM 0 H THR C 231 -2.060 -9.421 7.050 1.00 11.21 H new ATOM 0 HA THR C 231 -3.856 -11.440 5.883 1.00 65.32 H new ATOM 0 HB THR C 231 -1.998 -12.975 6.444 1.00 72.21 H new ATOM 0 HG1 THR C 231 0.049 -11.792 7.133 1.00 21.52 H new ATOM 0 HG21 THR C 231 -0.283 -12.125 4.889 1.00 42.02 H new ATOM 0 HG22 THR C 231 -1.925 -11.864 4.253 1.00 42.02 H new ATOM 0 HG23 THR C 231 -1.020 -10.507 4.964 1.00 42.02 H new ATOM 2234 N PRO C 232 -4.240 -12.661 8.206 1.00 14.31 N ATOM 2235 CA PRO C 232 -4.677 -13.103 9.517 1.00 13.25 C ATOM 2236 C PRO C 232 -3.536 -13.796 10.294 1.00 25.31 C ATOM 2237 O PRO C 232 -3.772 -14.444 11.304 1.00 21.13 O ATOM 2238 CB PRO C 232 -5.799 -14.122 9.205 1.00 62.42 C ATOM 2239 CG PRO C 232 -5.823 -14.293 7.709 1.00 43.34 C ATOM 2240 CD PRO C 232 -4.586 -13.639 7.165 1.00 24.54 C ATOM 0 HA PRO C 232 -5.003 -12.271 10.141 1.00 13.25 H new ATOM 0 HB2 PRO C 232 -5.607 -15.074 9.700 1.00 62.42 H new ATOM 0 HB3 PRO C 232 -6.761 -13.762 9.569 1.00 62.42 H new ATOM 0 HG2 PRO C 232 -5.847 -15.350 7.443 1.00 43.34 H new ATOM 0 HG3 PRO C 232 -6.717 -13.837 7.284 1.00 43.34 H new ATOM 0 HD2 PRO C 232 -3.784 -14.361 7.008 1.00 24.54 H new ATOM 0 HD3 PRO C 232 -4.774 -13.157 6.206 1.00 24.54 H new ATOM 2248 N ASN C 233 -2.305 -13.661 9.810 1.00 10.31 N ATOM 2249 CA ASN C 233 -1.170 -14.334 10.452 1.00 32.31 C ATOM 2250 C ASN C 233 -0.120 -13.345 10.925 1.00 24.35 C ATOM 2251 O ASN C 233 0.460 -13.520 11.985 1.00 2.43 O ATOM 2252 CB ASN C 233 -0.515 -15.337 9.489 1.00 5.04 C ATOM 2253 CG ASN C 233 0.630 -16.144 10.115 1.00 2.12 C ATOM 2254 OD1 ASN C 233 1.837 -15.620 10.070 1.00 63.51 O flip ATOM 2255 ND2 ASN C 233 0.421 -17.238 10.637 1.00 34.44 N flip ATOM 0 H ASN C 233 -2.065 -13.103 8.990 1.00 10.31 H new ATOM 0 HA ASN C 233 -1.567 -14.861 11.319 1.00 32.31 H new ATOM 0 HB2 ASN C 233 -1.276 -16.027 9.126 1.00 5.04 H new ATOM 0 HB3 ASN C 233 -0.134 -14.797 8.622 1.00 5.04 H new ATOM 0 HD21 ASN C 233 -0.524 -17.621 10.658 1.00 34.44 H new ATOM 0 HD22 ASN C 233 1.193 -17.762 11.049 1.00 34.44 H new ATOM 2262 N CYS C 234 0.131 -12.313 10.155 1.00 24.30 N ATOM 2263 CA CYS C 234 1.185 -11.382 10.503 1.00 40.22 C ATOM 2264 C CYS C 234 0.686 -9.944 10.572 1.00 52.42 C ATOM 2265 O CYS C 234 -0.370 -9.625 10.021 1.00 55.23 O ATOM 2266 CB CYS C 234 2.419 -11.556 9.577 1.00 11.04 C ATOM 2267 SG CYS C 234 2.072 -11.514 7.777 1.00 74.41 S ATOM 0 H CYS C 234 -0.371 -12.096 9.294 1.00 24.30 H new ATOM 0 HA CYS C 234 1.517 -11.623 11.513 1.00 40.22 H new ATOM 0 HB2 CYS C 234 3.138 -10.770 9.809 1.00 11.04 H new ATOM 0 HB3 CYS C 234 2.898 -12.506 9.814 1.00 11.04 H new ATOM 2272 N ALA C 235 1.461 -9.099 11.273 1.00 4.22 N ATOM 2273 CA ALA C 235 1.136 -7.692 11.580 1.00 55.33 C ATOM 2274 C ALA C 235 0.533 -6.921 10.403 1.00 2.15 C ATOM 2275 O ALA C 235 -0.652 -6.592 10.408 1.00 44.04 O ATOM 2276 CB ALA C 235 2.383 -6.986 12.081 1.00 12.41 C ATOM 0 H ALA C 235 2.362 -9.385 11.655 1.00 4.22 H new ATOM 0 HA ALA C 235 0.365 -7.711 12.350 1.00 55.33 H new ATOM 0 HB1 ALA C 235 2.146 -5.947 12.309 1.00 12.41 H new ATOM 0 HB2 ALA C 235 2.744 -7.481 12.982 1.00 12.41 H new ATOM 0 HB3 ALA C 235 3.155 -7.022 11.313 1.00 12.41 H new ATOM 2282 N CYS C 236 1.340 -6.641 9.429 1.00 45.12 N ATOM 2283 CA CYS C 236 0.928 -5.934 8.254 1.00 4.43 C ATOM 2284 C CYS C 236 1.864 -6.403 7.171 1.00 51.41 C ATOM 2285 O CYS C 236 2.916 -6.988 7.492 1.00 43.01 O ATOM 2286 CB CYS C 236 1.019 -4.403 8.482 1.00 14.12 C ATOM 2287 SG CYS C 236 0.350 -3.377 7.119 1.00 31.52 S ATOM 0 H CYS C 236 2.326 -6.903 9.427 1.00 45.12 H new ATOM 0 HA CYS C 236 -0.111 -6.130 7.987 1.00 4.43 H new ATOM 0 HB2 CYS C 236 0.485 -4.155 9.399 1.00 14.12 H new ATOM 0 HB3 CYS C 236 2.064 -4.136 8.639 1.00 14.12 H new ATOM 2292 N GLN C 237 1.536 -6.205 5.923 1.00 12.13 N ATOM 2293 CA GLN C 237 2.354 -6.774 4.891 1.00 45.25 C ATOM 2294 C GLN C 237 2.489 -5.818 3.721 1.00 3.45 C ATOM 2295 O GLN C 237 1.497 -5.431 3.111 1.00 12.03 O ATOM 2296 CB GLN C 237 1.710 -8.071 4.418 1.00 61.44 C ATOM 2297 CG GLN C 237 2.622 -9.000 3.671 1.00 31.43 C ATOM 2298 CD GLN C 237 3.548 -9.799 4.588 1.00 70.52 C ATOM 2299 OE1 GLN C 237 3.910 -10.889 4.254 1.00 54.22 O ATOM 2300 NE2 GLN C 237 3.907 -9.286 5.748 1.00 22.44 N ATOM 0 H GLN C 237 0.730 -5.668 5.603 1.00 12.13 H new ATOM 0 HA GLN C 237 3.350 -6.967 5.290 1.00 45.25 H new ATOM 0 HB2 GLN C 237 1.311 -8.598 5.285 1.00 61.44 H new ATOM 0 HB3 GLN C 237 0.863 -7.825 3.777 1.00 61.44 H new ATOM 0 HG2 GLN C 237 2.021 -9.691 3.080 1.00 31.43 H new ATOM 0 HG3 GLN C 237 3.225 -8.422 2.970 1.00 31.43 H new ATOM 0 HE21 GLN C 237 3.588 -8.355 6.014 1.00 22.44 H new ATOM 0 HE22 GLN C 237 4.504 -9.820 6.379 1.00 22.44 H new ATOM 2309 N ILE C 238 3.702 -5.444 3.411 1.00 55.15 N ATOM 2310 CA ILE C 238 3.971 -4.562 2.301 1.00 31.42 C ATOM 2311 C ILE C 238 4.972 -5.225 1.363 1.00 3.22 C ATOM 2312 O ILE C 238 6.057 -5.614 1.782 1.00 50.33 O ATOM 2313 CB ILE C 238 4.541 -3.191 2.765 1.00 20.32 C ATOM 2314 CG1 ILE C 238 3.586 -2.519 3.766 1.00 32.13 C ATOM 2315 CG2 ILE C 238 4.794 -2.281 1.562 1.00 31.03 C ATOM 2316 CD1 ILE C 238 4.033 -1.147 4.226 1.00 42.42 C ATOM 0 H ILE C 238 4.534 -5.741 3.920 1.00 55.15 H new ATOM 0 HA ILE C 238 3.026 -4.376 1.791 1.00 31.42 H new ATOM 0 HB ILE C 238 5.492 -3.365 3.267 1.00 20.32 H new ATOM 0 HG12 ILE C 238 2.600 -2.433 3.309 1.00 32.13 H new ATOM 0 HG13 ILE C 238 3.478 -3.165 4.638 1.00 32.13 H new ATOM 0 HG21 ILE C 238 5.193 -1.326 1.905 1.00 31.03 H new ATOM 0 HG22 ILE C 238 5.512 -2.754 0.892 1.00 31.03 H new ATOM 0 HG23 ILE C 238 3.858 -2.113 1.030 1.00 31.03 H new ATOM 0 HD11 ILE C 238 3.304 -0.744 4.929 1.00 42.42 H new ATOM 0 HD12 ILE C 238 5.004 -1.226 4.715 1.00 42.42 H new ATOM 0 HD13 ILE C 238 4.113 -0.483 3.365 1.00 42.42 H new ATOM 2328 N VAL C 239 4.601 -5.371 0.120 1.00 1.02 N ATOM 2329 CA VAL C 239 5.469 -5.972 -0.874 1.00 44.20 C ATOM 2330 C VAL C 239 5.761 -4.950 -1.965 1.00 71.25 C ATOM 2331 O VAL C 239 4.839 -4.289 -2.470 1.00 40.31 O ATOM 2332 CB VAL C 239 4.827 -7.232 -1.515 1.00 34.42 C ATOM 2333 CG1 VAL C 239 5.788 -7.891 -2.495 1.00 12.44 C ATOM 2334 CG2 VAL C 239 4.383 -8.223 -0.446 1.00 51.31 C ATOM 0 H VAL C 239 3.692 -5.080 -0.239 1.00 1.02 H new ATOM 0 HA VAL C 239 6.389 -6.279 -0.377 1.00 44.20 H new ATOM 0 HB VAL C 239 3.943 -6.913 -2.067 1.00 34.42 H new ATOM 0 HG11 VAL C 239 5.316 -8.771 -2.931 1.00 12.44 H new ATOM 0 HG12 VAL C 239 6.041 -7.185 -3.286 1.00 12.44 H new ATOM 0 HG13 VAL C 239 6.696 -8.189 -1.970 1.00 12.44 H new ATOM 0 HG21 VAL C 239 3.937 -9.096 -0.922 1.00 51.31 H new ATOM 0 HG22 VAL C 239 5.246 -8.533 0.144 1.00 51.31 H new ATOM 0 HG23 VAL C 239 3.648 -7.750 0.206 1.00 51.31 H new ATOM 2344 N ALA C 240 7.007 -4.817 -2.335 1.00 64.23 N ATOM 2345 CA ALA C 240 7.401 -3.859 -3.331 1.00 32.25 C ATOM 2346 C ALA C 240 8.151 -4.533 -4.456 1.00 31.30 C ATOM 2347 O ALA C 240 8.929 -5.456 -4.230 1.00 34.35 O ATOM 2348 CB ALA C 240 8.270 -2.785 -2.704 1.00 44.42 C ATOM 0 H ALA C 240 7.776 -5.369 -1.955 1.00 64.23 H new ATOM 0 HA ALA C 240 6.501 -3.401 -3.741 1.00 32.25 H new ATOM 0 HB1 ALA C 240 8.564 -2.064 -3.466 1.00 44.42 H new ATOM 0 HB2 ALA C 240 7.710 -2.276 -1.919 1.00 44.42 H new ATOM 0 HB3 ALA C 240 9.161 -3.243 -2.275 1.00 44.42 H new ATOM 2354 N ARG C 241 7.912 -4.089 -5.661 1.00 2.52 N ATOM 2355 CA ARG C 241 8.646 -4.593 -6.782 1.00 71.41 C ATOM 2356 C ARG C 241 9.769 -3.643 -7.089 1.00 64.31 C ATOM 2357 O ARG C 241 9.546 -2.443 -7.151 1.00 2.11 O ATOM 2358 CB ARG C 241 7.761 -4.788 -8.036 1.00 31.22 C ATOM 2359 CG ARG C 241 6.725 -5.889 -7.937 1.00 63.20 C ATOM 2360 CD ARG C 241 6.085 -6.124 -9.292 1.00 23.32 C ATOM 2361 NE ARG C 241 5.105 -7.220 -9.294 1.00 63.21 N ATOM 2362 CZ ARG C 241 5.046 -8.189 -10.232 1.00 70.25 C ATOM 2363 NH1 ARG C 241 6.006 -8.304 -11.141 1.00 0.13 N ATOM 2364 NH2 ARG C 241 4.056 -9.064 -10.219 1.00 13.14 N ATOM 0 H ARG C 241 7.215 -3.380 -5.888 1.00 2.52 H new ATOM 0 HA ARG C 241 9.033 -5.577 -6.516 1.00 71.41 H new ATOM 0 HB2 ARG C 241 7.249 -3.849 -8.248 1.00 31.22 H new ATOM 0 HB3 ARG C 241 8.408 -4.997 -8.887 1.00 31.22 H new ATOM 0 HG2 ARG C 241 7.192 -6.808 -7.582 1.00 63.20 H new ATOM 0 HG3 ARG C 241 5.962 -5.617 -7.208 1.00 63.20 H new ATOM 0 HD2 ARG C 241 5.594 -5.207 -9.617 1.00 23.32 H new ATOM 0 HD3 ARG C 241 6.865 -6.343 -10.021 1.00 23.32 H new ATOM 0 HE ARG C 241 4.424 -7.250 -8.535 1.00 63.21 H new ATOM 0 HH11 ARG C 241 6.795 -7.658 -11.134 1.00 0.13 H new ATOM 0 HH12 ARG C 241 5.955 -9.039 -11.847 1.00 0.13 H new ATOM 0 HH21 ARG C 241 3.335 -9.008 -9.500 1.00 13.14 H new ATOM 0 HH22 ARG C 241 4.013 -9.796 -10.928 1.00 13.14 H new ATOM 2378 N LEU C 242 10.956 -4.167 -7.228 1.00 23.01 N ATOM 2379 CA LEU C 242 12.126 -3.387 -7.591 1.00 50.34 C ATOM 2380 C LEU C 242 12.024 -2.956 -9.029 1.00 53.01 C ATOM 2381 O LEU C 242 12.445 -3.673 -9.925 1.00 55.22 O ATOM 2382 CB LEU C 242 13.464 -4.160 -7.376 1.00 41.11 C ATOM 2383 CG LEU C 242 13.905 -4.496 -5.943 1.00 31.42 C ATOM 2384 CD1 LEU C 242 14.043 -3.247 -5.098 1.00 5.41 C ATOM 2385 CD2 LEU C 242 12.977 -5.488 -5.295 1.00 75.14 C ATOM 0 H LEU C 242 11.149 -5.159 -7.092 1.00 23.01 H new ATOM 0 HA LEU C 242 12.144 -2.520 -6.931 1.00 50.34 H new ATOM 0 HB2 LEU C 242 13.396 -5.097 -7.928 1.00 41.11 H new ATOM 0 HB3 LEU C 242 14.260 -3.576 -7.837 1.00 41.11 H new ATOM 0 HG LEU C 242 14.888 -4.961 -6.011 1.00 31.42 H new ATOM 0 HD11 LEU C 242 14.356 -3.522 -4.091 1.00 5.41 H new ATOM 0 HD12 LEU C 242 14.788 -2.588 -5.543 1.00 5.41 H new ATOM 0 HD13 LEU C 242 13.084 -2.731 -5.052 1.00 5.41 H new ATOM 0 HD21 LEU C 242 13.321 -5.701 -4.283 1.00 75.14 H new ATOM 0 HD22 LEU C 242 11.970 -5.073 -5.256 1.00 75.14 H new ATOM 0 HD23 LEU C 242 12.967 -6.410 -5.876 1.00 75.14 H new ATOM 2397 N LYS C 243 11.399 -1.809 -9.242 1.00 24.11 N ATOM 2398 CA LYS C 243 11.226 -1.247 -10.539 1.00 2.22 C ATOM 2399 C LYS C 243 10.474 -2.203 -11.471 1.00 60.35 C ATOM 2400 O LYS C 243 9.769 -3.110 -11.001 1.00 22.31 O ATOM 2401 CB LYS C 243 12.552 -0.795 -11.088 1.00 13.33 C ATOM 2402 CG LYS C 243 13.236 0.228 -10.207 1.00 52.03 C ATOM 2403 CD LYS C 243 12.383 1.446 -9.965 1.00 74.41 C ATOM 2404 CE LYS C 243 13.218 2.624 -9.505 1.00 44.41 C ATOM 2405 NZ LYS C 243 14.299 2.951 -10.468 1.00 32.53 N ATOM 0 H LYS C 243 10.996 -1.245 -8.494 1.00 24.11 H new ATOM 0 HA LYS C 243 10.595 -0.362 -10.462 1.00 2.22 H new ATOM 0 HB2 LYS C 243 13.205 -1.660 -11.206 1.00 13.33 H new ATOM 0 HB3 LYS C 243 12.403 -0.370 -12.081 1.00 13.33 H new ATOM 0 HG2 LYS C 243 13.487 -0.231 -9.251 1.00 52.03 H new ATOM 0 HG3 LYS C 243 14.174 0.532 -10.671 1.00 52.03 H new ATOM 0 HD2 LYS C 243 11.854 1.709 -10.881 1.00 74.41 H new ATOM 0 HD3 LYS C 243 11.627 1.219 -9.214 1.00 74.41 H new ATOM 0 HE2 LYS C 243 12.575 3.494 -9.373 1.00 44.41 H new ATOM 0 HE3 LYS C 243 13.655 2.400 -8.532 1.00 44.41 H new ATOM 0 HZ1 LYS C 243 14.539 3.960 -10.391 1.00 32.53 H new ATOM 0 HZ2 LYS C 243 15.140 2.378 -10.254 1.00 32.53 H new ATOM 0 HZ3 LYS C 243 13.977 2.745 -11.435 1.00 32.53 H new ATOM 2461 N ARG C 247 12.993 -8.073 -9.599 1.00 40.13 N ATOM 2462 CA ARG C 247 12.050 -8.881 -8.828 1.00 72.24 C ATOM 2463 C ARG C 247 11.337 -8.079 -7.744 1.00 52.31 C ATOM 2464 O ARG C 247 11.400 -6.857 -7.704 1.00 62.10 O ATOM 2465 CB ARG C 247 12.744 -10.077 -8.183 1.00 11.44 C ATOM 2466 CG ARG C 247 13.890 -9.727 -7.261 1.00 11.33 C ATOM 2467 CD ARG C 247 14.269 -10.923 -6.434 1.00 13.32 C ATOM 2468 NE ARG C 247 13.214 -11.254 -5.449 1.00 61.03 N ATOM 2469 CZ ARG C 247 13.168 -12.355 -4.675 1.00 51.15 C ATOM 2470 NH1 ARG C 247 14.072 -13.320 -4.806 1.00 14.13 N ATOM 2471 NH2 ARG C 247 12.199 -12.482 -3.775 1.00 3.24 N ATOM 0 HA ARG C 247 11.304 -9.229 -9.543 1.00 72.24 H new ATOM 0 HB2 ARG C 247 12.005 -10.647 -7.620 1.00 11.44 H new ATOM 0 HB3 ARG C 247 13.118 -10.730 -8.971 1.00 11.44 H new ATOM 0 HG2 ARG C 247 14.747 -9.392 -7.845 1.00 11.33 H new ATOM 0 HG3 ARG C 247 13.604 -8.900 -6.610 1.00 11.33 H new ATOM 0 HD2 ARG C 247 14.441 -11.779 -7.087 1.00 13.32 H new ATOM 0 HD3 ARG C 247 15.206 -10.725 -5.913 1.00 13.32 H new ATOM 0 HE ARG C 247 12.451 -10.585 -5.347 1.00 61.03 H new ATOM 0 HH11 ARG C 247 14.814 -13.233 -5.500 1.00 14.13 H new ATOM 0 HH12 ARG C 247 14.024 -14.148 -4.212 1.00 14.13 H new ATOM 0 HH21 ARG C 247 11.497 -11.749 -3.674 1.00 3.24 H new ATOM 0 HH22 ARG C 247 12.157 -13.313 -3.185 1.00 3.24 H new ATOM 2485 N GLN C 248 10.656 -8.785 -6.874 1.00 32.33 N ATOM 2486 CA GLN C 248 9.946 -8.183 -5.785 1.00 42.52 C ATOM 2487 C GLN C 248 10.557 -8.606 -4.464 1.00 21.31 C ATOM 2488 O GLN C 248 11.109 -9.709 -4.346 1.00 42.21 O ATOM 2489 CB GLN C 248 8.443 -8.552 -5.812 1.00 24.35 C ATOM 2490 CG GLN C 248 8.107 -10.038 -5.592 1.00 33.44 C ATOM 2491 CD GLN C 248 8.657 -10.960 -6.669 1.00 72.14 C ATOM 2492 OE1 GLN C 248 9.766 -11.476 -6.561 1.00 23.14 O ATOM 2493 NE2 GLN C 248 7.904 -11.153 -7.705 1.00 71.12 N ATOM 0 H GLN C 248 10.582 -9.802 -6.907 1.00 32.33 H new ATOM 0 HA GLN C 248 10.029 -7.102 -5.893 1.00 42.52 H new ATOM 0 HB2 GLN C 248 7.932 -7.968 -5.046 1.00 24.35 H new ATOM 0 HB3 GLN C 248 8.032 -8.246 -6.774 1.00 24.35 H new ATOM 0 HG2 GLN C 248 8.501 -10.350 -4.625 1.00 33.44 H new ATOM 0 HG3 GLN C 248 7.024 -10.153 -5.548 1.00 33.44 H new ATOM 0 HE21 GLN C 248 6.988 -10.707 -7.760 1.00 71.12 H new ATOM 0 HE22 GLN C 248 8.227 -11.751 -8.466 1.00 71.12 H new ATOM 2502 N VAL C 249 10.476 -7.735 -3.504 1.00 3.54 N ATOM 2503 CA VAL C 249 10.929 -7.978 -2.158 1.00 3.22 C ATOM 2504 C VAL C 249 9.880 -7.463 -1.211 1.00 61.22 C ATOM 2505 O VAL C 249 9.046 -6.632 -1.591 1.00 50.50 O ATOM 2506 CB VAL C 249 12.335 -7.378 -1.794 1.00 72.03 C ATOM 2507 CG1 VAL C 249 13.444 -7.950 -2.666 1.00 64.14 C ATOM 2508 CG2 VAL C 249 12.338 -5.859 -1.815 1.00 61.32 C ATOM 0 H VAL C 249 10.081 -6.804 -3.635 1.00 3.54 H new ATOM 0 HA VAL C 249 11.070 -9.055 -2.070 1.00 3.22 H new ATOM 0 HB VAL C 249 12.541 -7.682 -0.768 1.00 72.03 H new ATOM 0 HG11 VAL C 249 14.398 -7.507 -2.379 1.00 64.14 H new ATOM 0 HG12 VAL C 249 13.491 -9.031 -2.532 1.00 64.14 H new ATOM 0 HG13 VAL C 249 13.238 -7.722 -3.712 1.00 64.14 H new ATOM 0 HG21 VAL C 249 13.332 -5.494 -1.557 1.00 61.32 H new ATOM 0 HG22 VAL C 249 12.070 -5.508 -2.812 1.00 61.32 H new ATOM 0 HG23 VAL C 249 11.614 -5.484 -1.092 1.00 61.32 H new ATOM 2518 N CYS C 250 9.891 -7.930 -0.028 1.00 64.03 N ATOM 2519 CA CYS C 250 8.889 -7.544 0.909 1.00 15.13 C ATOM 2520 C CYS C 250 9.499 -6.514 1.808 1.00 53.30 C ATOM 2521 O CYS C 250 10.668 -6.597 2.108 1.00 32.31 O ATOM 2522 CB CYS C 250 8.474 -8.761 1.692 1.00 71.23 C ATOM 2523 SG CYS C 250 7.960 -10.145 0.625 1.00 35.23 S ATOM 0 H CYS C 250 10.585 -8.587 0.329 1.00 64.03 H new ATOM 0 HA CYS C 250 8.007 -7.131 0.420 1.00 15.13 H new ATOM 0 HB2 CYS C 250 9.303 -9.082 2.322 1.00 71.23 H new ATOM 0 HB3 CYS C 250 7.652 -8.497 2.357 1.00 71.23 H new ATOM 2528 N ILE C 251 8.725 -5.535 2.200 1.00 21.54 N ATOM 2529 CA ILE C 251 9.251 -4.398 2.927 1.00 12.42 C ATOM 2530 C ILE C 251 8.685 -4.366 4.340 1.00 55.40 C ATOM 2531 O ILE C 251 7.547 -4.788 4.568 1.00 2.43 O ATOM 2532 CB ILE C 251 8.871 -3.069 2.196 1.00 14.22 C ATOM 2533 CG1 ILE C 251 9.234 -3.140 0.708 1.00 42.52 C ATOM 2534 CG2 ILE C 251 9.564 -1.870 2.835 1.00 42.42 C ATOM 2535 CD1 ILE C 251 10.688 -3.452 0.435 1.00 43.20 C ATOM 0 H ILE C 251 7.720 -5.499 2.028 1.00 21.54 H new ATOM 0 HA ILE C 251 10.336 -4.493 2.973 1.00 12.42 H new ATOM 0 HB ILE C 251 7.793 -2.942 2.293 1.00 14.22 H new ATOM 0 HG12 ILE C 251 8.616 -3.901 0.231 1.00 42.52 H new ATOM 0 HG13 ILE C 251 8.985 -2.188 0.240 1.00 42.52 H new ATOM 0 HG21 ILE C 251 9.280 -0.961 2.305 1.00 42.42 H new ATOM 0 HG22 ILE C 251 9.263 -1.790 3.880 1.00 42.42 H new ATOM 0 HG23 ILE C 251 10.645 -2.001 2.778 1.00 42.42 H new ATOM 0 HD11 ILE C 251 10.858 -3.483 -0.641 1.00 43.20 H new ATOM 0 HD12 ILE C 251 11.316 -2.679 0.879 1.00 43.20 H new ATOM 0 HD13 ILE C 251 10.941 -4.419 0.870 1.00 43.20 H new ATOM 2547 N ASP C 252 9.487 -3.908 5.279 1.00 44.35 N ATOM 2548 CA ASP C 252 9.061 -3.763 6.661 1.00 41.32 C ATOM 2549 C ASP C 252 8.118 -2.560 6.751 1.00 32.00 C ATOM 2550 O ASP C 252 8.477 -1.461 6.337 1.00 31.52 O ATOM 2551 CB ASP C 252 10.275 -3.530 7.589 1.00 10.03 C ATOM 2552 CG ASP C 252 9.906 -3.606 9.069 1.00 10.24 C ATOM 2553 OD1 ASP C 252 9.149 -2.760 9.550 1.00 74.45 O ATOM 2554 OD2 ASP C 252 10.383 -4.522 9.767 1.00 73.54 O ATOM 0 H ASP C 252 10.452 -3.625 5.109 1.00 44.35 H new ATOM 0 HA ASP C 252 8.556 -4.675 6.979 1.00 41.32 H new ATOM 0 HB2 ASP C 252 11.042 -4.273 7.371 1.00 10.03 H new ATOM 0 HB3 ASP C 252 10.708 -2.553 7.376 1.00 10.03 H new ATOM 2559 N PRO C 253 6.908 -2.746 7.285 1.00 33.21 N ATOM 2560 CA PRO C 253 5.911 -1.667 7.384 1.00 62.12 C ATOM 2561 C PRO C 253 6.227 -0.627 8.474 1.00 72.53 C ATOM 2562 O PRO C 253 5.492 0.340 8.660 1.00 64.30 O ATOM 2563 CB PRO C 253 4.616 -2.412 7.710 1.00 22.52 C ATOM 2564 CG PRO C 253 5.052 -3.671 8.381 1.00 25.14 C ATOM 2565 CD PRO C 253 6.395 -4.025 7.810 1.00 4.54 C ATOM 0 HA PRO C 253 5.873 -1.081 6.465 1.00 62.12 H new ATOM 0 HB2 PRO C 253 3.974 -1.820 8.362 1.00 22.52 H new ATOM 0 HB3 PRO C 253 4.045 -2.624 6.806 1.00 22.52 H new ATOM 0 HG2 PRO C 253 5.115 -3.532 9.460 1.00 25.14 H new ATOM 0 HG3 PRO C 253 4.334 -4.472 8.205 1.00 25.14 H new ATOM 0 HD2 PRO C 253 7.056 -4.438 8.572 1.00 4.54 H new ATOM 0 HD3 PRO C 253 6.309 -4.774 7.023 1.00 4.54 H new ATOM 2573 N LYS C 254 7.312 -0.818 9.177 1.00 33.01 N ATOM 2574 CA LYS C 254 7.681 0.072 10.252 1.00 73.44 C ATOM 2575 C LYS C 254 9.003 0.755 9.908 1.00 10.23 C ATOM 2576 O LYS C 254 9.599 1.453 10.730 1.00 23.11 O ATOM 2577 CB LYS C 254 7.823 -0.744 11.527 1.00 42.41 C ATOM 2578 CG LYS C 254 6.621 -1.651 11.792 1.00 62.53 C ATOM 2579 CD LYS C 254 6.815 -2.550 13.005 1.00 74.35 C ATOM 2580 CE LYS C 254 8.122 -3.348 12.931 1.00 12.22 C ATOM 2581 NZ LYS C 254 8.241 -4.141 11.689 1.00 2.02 N ATOM 0 H LYS C 254 7.963 -1.589 9.024 1.00 33.01 H new ATOM 0 HA LYS C 254 6.918 0.838 10.394 1.00 73.44 H new ATOM 0 HB2 LYS C 254 8.724 -1.354 11.463 1.00 42.41 H new ATOM 0 HB3 LYS C 254 7.955 -0.068 12.372 1.00 42.41 H new ATOM 0 HG2 LYS C 254 5.733 -1.036 11.940 1.00 62.53 H new ATOM 0 HG3 LYS C 254 6.438 -2.269 10.913 1.00 62.53 H new ATOM 0 HD2 LYS C 254 6.813 -1.942 13.910 1.00 74.35 H new ATOM 0 HD3 LYS C 254 5.974 -3.239 13.082 1.00 74.35 H new ATOM 0 HE2 LYS C 254 8.966 -2.661 13.000 1.00 12.22 H new ATOM 0 HE3 LYS C 254 8.183 -4.016 13.790 1.00 12.22 H new ATOM 0 HZ1 LYS C 254 9.157 -4.633 11.678 1.00 2.02 H new ATOM 0 HZ2 LYS C 254 7.472 -4.840 11.649 1.00 2.02 H new ATOM 0 HZ3 LYS C 254 8.177 -3.509 10.866 1.00 2.02 H new ATOM 2595 N LEU C 255 9.447 0.537 8.680 1.00 4.45 N ATOM 2596 CA LEU C 255 10.674 1.086 8.153 1.00 22.24 C ATOM 2597 C LEU C 255 10.564 2.629 8.124 1.00 3.30 C ATOM 2598 O LEU C 255 9.494 3.155 7.848 1.00 3.41 O ATOM 2599 CB LEU C 255 10.817 0.551 6.730 1.00 74.51 C ATOM 2600 CG LEU C 255 12.211 0.333 6.168 1.00 35.41 C ATOM 2601 CD1 LEU C 255 12.119 -0.194 4.752 1.00 2.31 C ATOM 2602 CD2 LEU C 255 13.080 1.568 6.222 1.00 71.52 C ATOM 0 H LEU C 255 8.945 -0.044 8.008 1.00 4.45 H new ATOM 0 HA LEU C 255 11.534 0.809 8.762 1.00 22.24 H new ATOM 0 HB2 LEU C 255 10.288 -0.401 6.680 1.00 74.51 H new ATOM 0 HB3 LEU C 255 10.297 1.240 6.064 1.00 74.51 H new ATOM 0 HG LEU C 255 12.697 -0.405 6.806 1.00 35.41 H new ATOM 0 HD11 LEU C 255 13.122 -0.348 4.355 1.00 2.31 H new ATOM 0 HD12 LEU C 255 11.579 -1.141 4.751 1.00 2.31 H new ATOM 0 HD13 LEU C 255 11.589 0.527 4.129 1.00 2.31 H new ATOM 0 HD21 LEU C 255 14.061 1.341 5.805 1.00 71.52 H new ATOM 0 HD22 LEU C 255 12.615 2.366 5.643 1.00 71.52 H new ATOM 0 HD23 LEU C 255 13.192 1.889 7.258 1.00 71.52 H new ATOM 2614 N LYS C 256 11.677 3.325 8.395 1.00 3.43 N ATOM 2615 CA LYS C 256 11.739 4.802 8.444 1.00 50.24 C ATOM 2616 C LYS C 256 11.038 5.470 7.259 1.00 21.44 C ATOM 2617 O LYS C 256 10.173 6.318 7.455 1.00 22.51 O ATOM 2618 CB LYS C 256 13.196 5.295 8.501 1.00 32.34 C ATOM 2619 CG LYS C 256 13.338 6.819 8.628 1.00 43.54 C ATOM 2620 CD LYS C 256 12.821 7.325 9.971 1.00 62.20 C ATOM 2621 CE LYS C 256 12.999 8.837 10.123 1.00 3.44 C ATOM 2622 NZ LYS C 256 12.256 9.598 9.097 1.00 44.13 N ATOM 0 H LYS C 256 12.573 2.878 8.589 1.00 3.43 H new ATOM 0 HA LYS C 256 11.211 5.088 9.354 1.00 50.24 H new ATOM 0 HB2 LYS C 256 13.695 4.823 9.347 1.00 32.34 H new ATOM 0 HB3 LYS C 256 13.715 4.966 7.601 1.00 32.34 H new ATOM 0 HG2 LYS C 256 14.386 7.097 8.513 1.00 43.54 H new ATOM 0 HG3 LYS C 256 12.789 7.304 7.821 1.00 43.54 H new ATOM 0 HD2 LYS C 256 11.765 7.073 10.071 1.00 62.20 H new ATOM 0 HD3 LYS C 256 13.348 6.815 10.777 1.00 62.20 H new ATOM 0 HE2 LYS C 256 12.661 9.142 11.113 1.00 3.44 H new ATOM 0 HE3 LYS C 256 14.059 9.084 10.058 1.00 3.44 H new ATOM 0 HZ1 LYS C 256 12.296 10.613 9.321 1.00 44.13 H new ATOM 0 HZ2 LYS C 256 12.684 9.432 8.164 1.00 44.13 H new ATOM 0 HZ3 LYS C 256 11.264 9.286 9.084 1.00 44.13 H new ATOM 2636 N TRP C 257 11.399 5.099 6.040 1.00 74.23 N ATOM 2637 CA TRP C 257 10.785 5.733 4.893 1.00 31.54 C ATOM 2638 C TRP C 257 9.317 5.350 4.733 1.00 12.25 C ATOM 2639 O TRP C 257 8.547 6.102 4.177 1.00 4.05 O ATOM 2640 CB TRP C 257 11.605 5.635 3.586 1.00 3.01 C ATOM 2641 CG TRP C 257 11.838 4.264 3.037 1.00 41.14 C ATOM 2642 CD1 TRP C 257 12.917 3.463 3.261 1.00 30.53 C ATOM 2643 CD2 TRP C 257 10.985 3.553 2.134 1.00 13.34 C ATOM 2644 NE1 TRP C 257 12.786 2.294 2.558 1.00 61.01 N ATOM 2645 CE2 TRP C 257 11.605 2.325 1.859 1.00 2.42 C ATOM 2646 CE3 TRP C 257 9.754 3.836 1.535 1.00 45.42 C ATOM 2647 CZ2 TRP C 257 11.039 1.384 1.013 1.00 44.42 C ATOM 2648 CZ3 TRP C 257 9.195 2.896 0.692 1.00 25.01 C ATOM 2649 CH2 TRP C 257 9.840 1.683 0.441 1.00 3.22 C ATOM 0 H TRP C 257 12.094 4.383 5.826 1.00 74.23 H new ATOM 0 HA TRP C 257 10.796 6.800 5.117 1.00 31.54 H new ATOM 0 HB2 TRP C 257 11.098 6.225 2.822 1.00 3.01 H new ATOM 0 HB3 TRP C 257 12.575 6.101 3.758 1.00 3.01 H new ATOM 0 HD1 TRP C 257 13.752 3.712 3.899 1.00 30.53 H new ATOM 0 HE1 TRP C 257 13.457 1.526 2.555 1.00 61.01 H new ATOM 0 HE3 TRP C 257 9.250 4.772 1.728 1.00 45.42 H new ATOM 0 HZ2 TRP C 257 11.533 0.444 0.814 1.00 44.42 H new ATOM 0 HZ3 TRP C 257 8.246 3.102 0.220 1.00 25.01 H new ATOM 0 HH2 TRP C 257 9.378 0.966 -0.221 1.00 3.22 H new ATOM 2660 N ILE C 258 8.941 4.169 5.230 1.00 12.12 N ATOM 2661 CA ILE C 258 7.534 3.746 5.241 1.00 31.02 C ATOM 2662 C ILE C 258 6.763 4.620 6.238 1.00 53.15 C ATOM 2663 O ILE C 258 5.634 5.048 5.965 1.00 53.02 O ATOM 2664 CB ILE C 258 7.377 2.248 5.641 1.00 62.10 C ATOM 2665 CG1 ILE C 258 8.060 1.327 4.623 1.00 40.25 C ATOM 2666 CG2 ILE C 258 5.904 1.873 5.793 1.00 24.03 C ATOM 2667 CD1 ILE C 258 7.446 1.366 3.246 1.00 62.15 C ATOM 0 H ILE C 258 9.587 3.489 5.630 1.00 12.12 H new ATOM 0 HA ILE C 258 7.137 3.862 4.233 1.00 31.02 H new ATOM 0 HB ILE C 258 7.868 2.113 6.605 1.00 62.10 H new ATOM 0 HG12 ILE C 258 9.112 1.603 4.548 1.00 40.25 H new ATOM 0 HG13 ILE C 258 8.025 0.303 4.995 1.00 40.25 H new ATOM 0 HG21 ILE C 258 5.823 0.823 6.072 1.00 24.03 H new ATOM 0 HG22 ILE C 258 5.449 2.491 6.568 1.00 24.03 H new ATOM 0 HG23 ILE C 258 5.387 2.038 4.848 1.00 24.03 H new ATOM 0 HD11 ILE C 258 7.987 0.687 2.587 1.00 62.15 H new ATOM 0 HD12 ILE C 258 6.402 1.059 3.304 1.00 62.15 H new ATOM 0 HD13 ILE C 258 7.505 2.380 2.850 1.00 62.15 H new ATOM 2679 N GLN C 259 7.410 4.895 7.383 1.00 14.22 N ATOM 2680 CA GLN C 259 6.863 5.771 8.429 1.00 52.50 C ATOM 2681 C GLN C 259 6.540 7.121 7.828 1.00 40.31 C ATOM 2682 O GLN C 259 5.557 7.754 8.176 1.00 31.00 O ATOM 2683 CB GLN C 259 7.884 5.966 9.559 1.00 33.11 C ATOM 2684 CG GLN C 259 8.303 4.693 10.270 1.00 65.43 C ATOM 2685 CD GLN C 259 7.179 4.040 11.026 1.00 45.04 C ATOM 2686 OE1 GLN C 259 6.963 4.336 12.198 1.00 21.30 O ATOM 2687 NE2 GLN C 259 6.471 3.141 10.387 1.00 73.44 N ATOM 0 H GLN C 259 8.329 4.514 7.608 1.00 14.22 H new ATOM 0 HA GLN C 259 5.964 5.309 8.836 1.00 52.50 H new ATOM 0 HB2 GLN C 259 8.773 6.444 9.147 1.00 33.11 H new ATOM 0 HB3 GLN C 259 7.464 6.653 10.293 1.00 33.11 H new ATOM 0 HG2 GLN C 259 8.697 3.988 9.538 1.00 65.43 H new ATOM 0 HG3 GLN C 259 9.114 4.921 10.962 1.00 65.43 H new ATOM 0 HE21 GLN C 259 6.682 2.923 9.413 1.00 73.44 H new ATOM 0 HE22 GLN C 259 5.709 2.659 10.864 1.00 73.44 H new ATOM 2696 N GLU C 260 7.391 7.550 6.936 1.00 43.13 N ATOM 2697 CA GLU C 260 7.205 8.765 6.212 1.00 20.33 C ATOM 2698 C GLU C 260 6.116 8.605 5.158 1.00 34.12 C ATOM 2699 O GLU C 260 5.152 9.344 5.147 1.00 1.24 O ATOM 2700 CB GLU C 260 8.528 9.154 5.559 1.00 25.10 C ATOM 2701 CG GLU C 260 9.593 9.561 6.554 1.00 33.33 C ATOM 2702 CD GLU C 260 9.199 10.821 7.262 1.00 61.13 C ATOM 2703 OE1 GLU C 260 9.443 11.927 6.715 1.00 42.52 O ATOM 2704 OE2 GLU C 260 8.616 10.735 8.360 1.00 4.43 O ATOM 0 H GLU C 260 8.247 7.051 6.692 1.00 43.13 H new ATOM 0 HA GLU C 260 6.888 9.551 6.898 1.00 20.33 H new ATOM 0 HB2 GLU C 260 8.894 8.314 4.969 1.00 25.10 H new ATOM 0 HB3 GLU C 260 8.354 9.978 4.867 1.00 25.10 H new ATOM 0 HG2 GLU C 260 9.745 8.762 7.280 1.00 33.33 H new ATOM 0 HG3 GLU C 260 10.542 9.708 6.039 1.00 33.33 H new ATOM 2711 N TYR C 261 6.257 7.575 4.351 1.00 32.42 N ATOM 2712 CA TYR C 261 5.428 7.312 3.175 1.00 71.14 C ATOM 2713 C TYR C 261 3.934 7.326 3.518 1.00 14.42 C ATOM 2714 O TYR C 261 3.148 8.071 2.900 1.00 74.23 O ATOM 2715 CB TYR C 261 5.824 5.934 2.627 1.00 50.00 C ATOM 2716 CG TYR C 261 5.271 5.561 1.277 1.00 20.12 C ATOM 2717 CD1 TYR C 261 3.984 5.059 1.128 1.00 73.33 C ATOM 2718 CD2 TYR C 261 6.062 5.683 0.147 1.00 70.44 C ATOM 2719 CE1 TYR C 261 3.507 4.694 -0.109 1.00 63.51 C ATOM 2720 CE2 TYR C 261 5.593 5.323 -1.090 1.00 41.51 C ATOM 2721 CZ TYR C 261 4.316 4.828 -1.214 1.00 42.33 C ATOM 2722 OH TYR C 261 3.849 4.461 -2.445 1.00 2.22 O ATOM 0 H TYR C 261 6.977 6.866 4.494 1.00 32.42 H new ATOM 0 HA TYR C 261 5.593 8.095 2.434 1.00 71.14 H new ATOM 0 HB2 TYR C 261 6.912 5.888 2.574 1.00 50.00 H new ATOM 0 HB3 TYR C 261 5.508 5.178 3.346 1.00 50.00 H new ATOM 0 HD1 TYR C 261 3.350 4.954 1.996 1.00 73.33 H new ATOM 0 HD2 TYR C 261 7.066 6.069 0.242 1.00 70.44 H new ATOM 0 HE1 TYR C 261 2.505 4.305 -0.212 1.00 63.51 H new ATOM 0 HE2 TYR C 261 6.222 5.427 -1.961 1.00 41.51 H new ATOM 0 HH TYR C 261 3.201 3.732 -2.345 1.00 2.22 H new ATOM 2732 N LEU C 262 3.557 6.530 4.504 1.00 52.51 N ATOM 2733 CA LEU C 262 2.161 6.413 4.913 1.00 51.42 C ATOM 2734 C LEU C 262 1.646 7.744 5.452 1.00 52.52 C ATOM 2735 O LEU C 262 0.601 8.228 5.021 1.00 22.14 O ATOM 2736 CB LEU C 262 2.004 5.311 5.958 1.00 30.14 C ATOM 2737 CG LEU C 262 2.504 3.918 5.543 1.00 21.32 C ATOM 2738 CD1 LEU C 262 2.286 2.902 6.651 1.00 62.50 C ATOM 2739 CD2 LEU C 262 1.843 3.451 4.256 1.00 61.41 C ATOM 0 H LEU C 262 4.201 5.950 5.042 1.00 52.51 H new ATOM 0 HA LEU C 262 1.566 6.147 4.040 1.00 51.42 H new ATOM 0 HB2 LEU C 262 2.536 5.613 6.860 1.00 30.14 H new ATOM 0 HB3 LEU C 262 0.949 5.234 6.221 1.00 30.14 H new ATOM 0 HG LEU C 262 3.576 4.001 5.362 1.00 21.32 H new ATOM 0 HD11 LEU C 262 2.650 1.927 6.327 1.00 62.50 H new ATOM 0 HD12 LEU C 262 2.829 3.214 7.543 1.00 62.50 H new ATOM 0 HD13 LEU C 262 1.222 2.835 6.879 1.00 62.50 H new ATOM 0 HD21 LEU C 262 2.219 2.463 3.991 1.00 61.41 H new ATOM 0 HD22 LEU C 262 0.763 3.402 4.398 1.00 61.41 H new ATOM 0 HD23 LEU C 262 2.072 4.153 3.454 1.00 61.41 H new ATOM 2751 N GLU C 263 2.400 8.335 6.377 1.00 41.32 N ATOM 2752 CA GLU C 263 2.067 9.658 6.941 1.00 32.43 C ATOM 2753 C GLU C 263 1.851 10.744 5.866 1.00 3.12 C ATOM 2754 O GLU C 263 0.917 11.548 5.978 1.00 71.40 O ATOM 2755 CB GLU C 263 3.154 10.101 7.917 1.00 3.14 C ATOM 2756 CG GLU C 263 3.148 9.357 9.238 1.00 1.53 C ATOM 2757 CD GLU C 263 2.007 9.777 10.126 1.00 30.52 C ATOM 2758 OE1 GLU C 263 0.907 9.219 10.011 1.00 64.54 O ATOM 2759 OE2 GLU C 263 2.207 10.690 10.971 1.00 1.12 O ATOM 0 H GLU C 263 3.251 7.923 6.759 1.00 41.32 H new ATOM 0 HA GLU C 263 1.118 9.542 7.464 1.00 32.43 H new ATOM 0 HB2 GLU C 263 4.127 9.969 7.443 1.00 3.14 H new ATOM 0 HB3 GLU C 263 3.037 11.167 8.113 1.00 3.14 H new ATOM 0 HG2 GLU C 263 3.082 8.286 9.049 1.00 1.53 H new ATOM 0 HG3 GLU C 263 4.091 9.532 9.755 1.00 1.53 H new ATOM 2766 N LYS C 264 2.685 10.761 4.818 1.00 55.35 N ATOM 2767 CA LYS C 264 2.578 11.807 3.788 1.00 51.43 C ATOM 2768 C LYS C 264 1.306 11.623 2.985 1.00 51.11 C ATOM 2769 O LYS C 264 0.606 12.581 2.685 1.00 54.34 O ATOM 2770 CB LYS C 264 3.735 11.735 2.789 1.00 34.43 C ATOM 2771 CG LYS C 264 5.109 11.621 3.382 1.00 1.43 C ATOM 2772 CD LYS C 264 5.484 12.760 4.309 1.00 32.11 C ATOM 2773 CE LYS C 264 6.840 12.482 4.933 1.00 75.01 C ATOM 2774 NZ LYS C 264 7.250 13.504 5.908 1.00 15.55 N ATOM 0 H LYS C 264 3.427 10.079 4.660 1.00 55.35 H new ATOM 0 HA LYS C 264 2.590 12.762 4.313 1.00 51.43 H new ATOM 0 HB2 LYS C 264 3.571 10.879 2.134 1.00 34.43 H new ATOM 0 HB3 LYS C 264 3.704 12.626 2.162 1.00 34.43 H new ATOM 0 HG2 LYS C 264 5.178 10.682 3.932 1.00 1.43 H new ATOM 0 HG3 LYS C 264 5.838 11.571 2.573 1.00 1.43 H new ATOM 0 HD2 LYS C 264 5.512 13.699 3.756 1.00 32.11 H new ATOM 0 HD3 LYS C 264 4.730 12.872 5.088 1.00 32.11 H new ATOM 0 HE2 LYS C 264 6.814 11.510 5.425 1.00 75.01 H new ATOM 0 HE3 LYS C 264 7.590 12.420 4.144 1.00 75.01 H new ATOM 0 HZ1 LYS C 264 8.104 13.184 6.408 1.00 15.55 H new ATOM 0 HZ2 LYS C 264 7.453 14.395 5.412 1.00 15.55 H new ATOM 0 HZ3 LYS C 264 6.484 13.656 6.594 1.00 15.55 H new ATOM 2788 N CYS C 265 1.048 10.394 2.627 1.00 43.14 N ATOM 2789 CA CYS C 265 -0.113 10.021 1.811 1.00 73.03 C ATOM 2790 C CYS C 265 -1.440 10.152 2.561 1.00 32.14 C ATOM 2791 O CYS C 265 -2.465 10.416 1.942 1.00 0.12 O ATOM 2792 CB CYS C 265 0.059 8.586 1.257 1.00 33.34 C ATOM 2793 SG CYS C 265 -1.355 7.949 0.279 1.00 42.21 S ATOM 0 H CYS C 265 1.635 9.602 2.889 1.00 43.14 H new ATOM 0 HA CYS C 265 -0.155 10.728 0.982 1.00 73.03 H new ATOM 0 HB2 CYS C 265 0.952 8.560 0.633 1.00 33.34 H new ATOM 0 HB3 CYS C 265 0.235 7.910 2.094 1.00 33.34 H new ATOM 2798 N LEU C 266 -1.396 10.030 3.894 1.00 73.34 N ATOM 2799 CA LEU C 266 -2.585 10.015 4.749 1.00 1.32 C ATOM 2800 C LEU C 266 -3.501 11.246 4.471 1.00 13.31 C ATOM 2801 O LEU C 266 -4.727 11.139 4.495 1.00 70.14 O ATOM 2802 CB LEU C 266 -2.119 9.933 6.244 1.00 4.04 C ATOM 2803 CG LEU C 266 -3.144 9.501 7.329 1.00 74.00 C ATOM 2804 CD1 LEU C 266 -4.252 10.494 7.503 1.00 3.12 C ATOM 2805 CD2 LEU C 266 -3.717 8.152 6.981 1.00 20.35 C ATOM 0 H LEU C 266 -0.523 9.938 4.413 1.00 73.34 H new ATOM 0 HA LEU C 266 -3.196 9.140 4.525 1.00 1.32 H new ATOM 0 HB2 LEU C 266 -1.279 9.239 6.290 1.00 4.04 H new ATOM 0 HB3 LEU C 266 -1.737 10.915 6.524 1.00 4.04 H new ATOM 0 HG LEU C 266 -2.608 9.448 8.276 1.00 74.00 H new ATOM 0 HD11 LEU C 266 -4.939 10.142 8.273 1.00 3.12 H new ATOM 0 HD12 LEU C 266 -3.835 11.456 7.801 1.00 3.12 H new ATOM 0 HD13 LEU C 266 -4.790 10.608 6.562 1.00 3.12 H new ATOM 0 HD21 LEU C 266 -4.435 7.854 7.745 1.00 20.35 H new ATOM 0 HD22 LEU C 266 -4.218 8.208 6.014 1.00 20.35 H new ATOM 0 HD23 LEU C 266 -2.913 7.417 6.932 1.00 20.35 H new ATOM 2817 N ASN C 267 -2.912 12.392 4.185 1.00 72.55 N ATOM 2818 CA ASN C 267 -3.711 13.591 3.899 1.00 44.13 C ATOM 2819 C ASN C 267 -3.618 14.019 2.449 1.00 53.22 C ATOM 2820 O ASN C 267 -3.988 15.140 2.101 1.00 20.32 O ATOM 2821 CB ASN C 267 -3.356 14.762 4.817 1.00 61.41 C ATOM 2822 CG ASN C 267 -3.753 14.552 6.275 1.00 1.45 C ATOM 2823 OD1 ASN C 267 -4.794 13.777 6.522 1.00 30.31 O flip ATOM 2824 ND2 ASN C 267 -3.123 15.087 7.176 1.00 63.24 N flip ATOM 0 H ASN C 267 -1.902 12.528 4.142 1.00 72.55 H new ATOM 0 HA ASN C 267 -4.744 13.305 4.099 1.00 44.13 H new ATOM 0 HB2 ASN C 267 -2.281 14.937 4.766 1.00 61.41 H new ATOM 0 HB3 ASN C 267 -3.844 15.663 4.445 1.00 61.41 H new ATOM 0 HD21 ASN C 267 -2.323 15.681 6.956 1.00 63.24 H new ATOM 0 HD22 ASN C 267 -3.397 14.940 8.147 1.00 63.24 H new ATOM 3120 N GLY D 319 15.890 -14.688 6.058 1.00 55.44 N ATOM 3121 CA GLY D 319 15.922 -13.267 6.362 1.00 21.33 C ATOM 3122 C GLY D 319 16.585 -12.536 5.231 1.00 34.11 C ATOM 3123 O GLY D 319 17.777 -12.202 5.290 1.00 51.33 O ATOM 0 HA2 GLY D 319 14.909 -12.891 6.510 1.00 21.33 H new ATOM 0 HA3 GLY D 319 16.465 -13.094 7.291 1.00 21.33 H new ATOM 3127 N ASP D 320 15.814 -12.328 4.202 1.00 72.43 N ATOM 3128 CA ASP D 320 16.260 -11.767 2.949 1.00 10.12 C ATOM 3129 C ASP D 320 16.720 -10.335 3.107 1.00 75.01 C ATOM 3130 O ASP D 320 15.951 -9.488 3.572 1.00 63.42 O ATOM 3131 CB ASP D 320 15.126 -11.871 1.953 1.00 5.35 C ATOM 3132 CG ASP D 320 15.538 -11.545 0.535 1.00 60.34 C ATOM 3133 OD1 ASP D 320 16.518 -12.165 0.028 1.00 21.41 O ATOM 3134 OD2 ASP D 320 14.857 -10.731 -0.117 1.00 11.11 O ATOM 0 H ASP D 320 14.819 -12.552 4.208 1.00 72.43 H new ATOM 0 HA ASP D 320 17.123 -12.327 2.590 1.00 10.12 H new ATOM 0 HB2 ASP D 320 14.719 -12.882 1.982 1.00 5.35 H new ATOM 0 HB3 ASP D 320 14.325 -11.196 2.255 1.00 5.35 H new ATOM 3163 N ASP D 322 18.889 -9.249 5.238 1.00 41.02 N ATOM 3164 CA ASP D 322 18.832 -9.040 6.698 1.00 3.43 C ATOM 3165 C ASP D 322 17.426 -9.029 7.169 1.00 72.24 C ATOM 3166 O ASP D 322 17.024 -9.918 7.935 1.00 73.45 O ATOM 3167 CB ASP D 322 19.551 -7.790 7.206 1.00 23.43 C ATOM 3168 CG ASP D 322 21.046 -7.853 7.128 1.00 50.14 C ATOM 3169 OD1 ASP D 322 21.678 -8.370 8.071 1.00 23.32 O ATOM 3170 OD2 ASP D 322 21.633 -7.368 6.138 1.00 73.44 O ATOM 0 HA ASP D 322 19.376 -9.886 7.118 1.00 3.43 H new ATOM 0 HB2 ASP D 322 19.207 -6.930 6.631 1.00 23.43 H new ATOM 0 HB3 ASP D 322 19.262 -7.617 8.243 1.00 23.43 H new ATOM 3175 N SER D 323 16.671 -8.028 6.711 1.00 20.05 N ATOM 3176 CA SER D 323 15.263 -7.907 7.005 1.00 54.13 C ATOM 3177 C SER D 323 14.942 -7.403 8.445 1.00 53.02 C ATOM 3178 O SER D 323 15.730 -7.585 9.378 1.00 12.22 O ATOM 3179 CB SER D 323 14.549 -9.239 6.647 1.00 41.45 C ATOM 3180 OG SER D 323 13.227 -9.282 7.117 1.00 12.31 O ATOM 0 H SER D 323 17.034 -7.278 6.122 1.00 20.05 H new ATOM 0 HA SER D 323 14.864 -7.112 6.375 1.00 54.13 H new ATOM 0 HB2 SER D 323 14.551 -9.369 5.565 1.00 41.45 H new ATOM 0 HB3 SER D 323 15.109 -10.073 7.070 1.00 41.45 H new ATOM 0 HG SER D 323 12.867 -8.372 7.165 1.00 12.31 H new ATOM 3186 N MET D 324 13.771 -6.720 8.571 1.00 42.53 N ATOM 3187 CA MET D 324 13.191 -6.230 9.846 1.00 40.44 C ATOM 3188 C MET D 324 13.757 -4.898 10.358 1.00 4.23 C ATOM 3189 O MET D 324 14.965 -4.630 10.279 1.00 2.22 O ATOM 3190 CB MET D 324 13.150 -7.307 10.937 1.00 10.32 C ATOM 3191 CG MET D 324 12.230 -8.473 10.613 1.00 33.12 C ATOM 3192 SD MET D 324 12.231 -9.761 11.883 1.00 61.42 S ATOM 3193 CE MET D 324 13.927 -10.338 11.783 1.00 20.10 C ATOM 0 H MET D 324 13.191 -6.490 7.764 1.00 42.53 H new ATOM 0 HA MET D 324 12.159 -5.998 9.584 1.00 40.44 H new ATOM 0 HB2 MET D 324 14.159 -7.686 11.098 1.00 10.32 H new ATOM 0 HB3 MET D 324 12.828 -6.851 11.873 1.00 10.32 H new ATOM 0 HG2 MET D 324 11.214 -8.100 10.485 1.00 33.12 H new ATOM 0 HG3 MET D 324 12.531 -8.911 9.661 1.00 33.12 H new ATOM 0 HE1 MET D 324 14.003 -11.325 12.239 1.00 20.10 H new ATOM 0 HE2 MET D 324 14.230 -10.396 10.738 1.00 20.10 H new ATOM 0 HE3 MET D 324 14.579 -9.643 12.312 1.00 20.10 H new ATOM 3203 N LYS D 325 12.847 -4.046 10.822 1.00 53.50 N ATOM 3204 CA LYS D 325 13.136 -2.744 11.384 1.00 64.12 C ATOM 3205 C LYS D 325 12.074 -2.467 12.475 1.00 44.25 C ATOM 3206 O LYS D 325 11.166 -3.277 12.665 1.00 51.43 O ATOM 3207 CB LYS D 325 13.014 -1.706 10.249 1.00 62.31 C ATOM 3208 CG LYS D 325 13.351 -0.286 10.585 1.00 3.24 C ATOM 3209 CD LYS D 325 14.801 -0.114 10.940 1.00 22.20 C ATOM 3210 CE LYS D 325 15.092 1.339 11.158 1.00 75.21 C ATOM 3211 NZ LYS D 325 16.517 1.603 11.431 1.00 21.44 N ATOM 0 H LYS D 325 11.850 -4.259 10.813 1.00 53.50 H new ATOM 0 HA LYS D 325 14.135 -2.694 11.818 1.00 64.12 H new ATOM 0 HB2 LYS D 325 13.660 -2.022 9.430 1.00 62.31 H new ATOM 0 HB3 LYS D 325 11.990 -1.732 9.876 1.00 62.31 H new ATOM 0 HG2 LYS D 325 13.108 0.353 9.736 1.00 3.24 H new ATOM 0 HG3 LYS D 325 12.733 0.044 11.420 1.00 3.24 H new ATOM 0 HD2 LYS D 325 15.036 -0.682 11.840 1.00 22.20 H new ATOM 0 HD3 LYS D 325 15.431 -0.506 10.142 1.00 22.20 H new ATOM 0 HE2 LYS D 325 14.785 1.902 10.277 1.00 75.21 H new ATOM 0 HE3 LYS D 325 14.493 1.703 11.993 1.00 75.21 H new ATOM 0 HZ1 LYS D 325 16.660 2.623 11.574 1.00 21.44 H new ATOM 0 HZ2 LYS D 325 16.807 1.090 12.288 1.00 21.44 H new ATOM 0 HZ3 LYS D 325 17.090 1.283 10.625 1.00 21.44 H new ATOM 3225 N GLU D 326 12.201 -1.370 13.186 1.00 73.40 N ATOM 3226 CA GLU D 326 11.215 -0.960 14.166 1.00 35.34 C ATOM 3227 C GLU D 326 10.697 0.429 13.758 1.00 73.22 C ATOM 3228 O GLU D 326 11.418 1.160 13.060 1.00 4.22 O ATOM 3229 CB GLU D 326 11.836 -0.921 15.568 1.00 33.31 C ATOM 3230 CG GLU D 326 12.954 0.086 15.729 1.00 0.42 C ATOM 3231 CD GLU D 326 13.505 0.099 17.120 1.00 15.44 C ATOM 3232 OE1 GLU D 326 12.855 0.673 18.023 1.00 31.44 O ATOM 3233 OE2 GLU D 326 14.598 -0.454 17.336 1.00 51.15 O ATOM 0 H GLU D 326 12.993 -0.733 13.102 1.00 73.40 H new ATOM 0 HA GLU D 326 10.390 -1.672 14.196 1.00 35.34 H new ATOM 0 HB2 GLU D 326 11.053 -0.696 16.293 1.00 33.31 H new ATOM 0 HB3 GLU D 326 12.219 -1.912 15.810 1.00 33.31 H new ATOM 0 HG2 GLU D 326 13.754 -0.145 15.025 1.00 0.42 H new ATOM 0 HG3 GLU D 326 12.585 1.080 15.477 1.00 0.42 H new ATOM 3240 N PRO D 327 9.459 0.819 14.158 1.00 11.33 N ATOM 3241 CA PRO D 327 8.878 2.092 13.768 1.00 52.11 C ATOM 3242 C PRO D 327 9.643 3.271 14.312 1.00 0.04 C ATOM 3243 O PRO D 327 10.320 3.187 15.354 1.00 52.51 O ATOM 3244 CB PRO D 327 7.468 2.058 14.367 1.00 13.43 C ATOM 3245 CG PRO D 327 7.573 1.100 15.477 1.00 4.41 C ATOM 3246 CD PRO D 327 8.540 0.060 15.010 1.00 52.34 C ATOM 0 HA PRO D 327 8.891 2.215 12.685 1.00 52.11 H new ATOM 0 HB2 PRO D 327 7.160 3.043 14.718 1.00 13.43 H new ATOM 0 HB3 PRO D 327 6.730 1.737 13.632 1.00 13.43 H new ATOM 0 HG2 PRO D 327 7.928 1.587 16.385 1.00 4.41 H new ATOM 0 HG3 PRO D 327 6.603 0.660 15.710 1.00 4.41 H new ATOM 0 HD2 PRO D 327 9.060 -0.411 15.844 1.00 52.34 H new ATOM 0 HD3 PRO D 327 8.041 -0.735 14.456 1.00 52.34 H new