USER MOD reduce.3.24.130724 H: found=0, std=0, add=1059, rem=0, adj=30 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 67 ASN :FLIP amide:sc= 0.92 F(o=0.33!,f=1.1) USER MOD Set 1.2: C 259 GLN :FLIP amide:sc= 0.213 X(o=0.71,f=1.1) USER MOD Set 2.1: C 216 SER OG : rot 140:sc= 0.175 USER MOD Set 2.2: C 217 HIS : no HD1:sc= -0.0181 X(o=0.16,f=0.19) USER MOD Set 3.1: A 27 LYS NZ :NH3+ -140:sc= -1.06 (180deg=-2.16!) USER MOD Set 3.2: A 48 GLN : amide:sc= 0 K(o=-1.1,f=-3.3) USER MOD Set 4.1: A 16 SER OG : rot 140:sc= 0.0203 USER MOD Set 4.2: A 17 HIS : no HD1:sc= -0.0476 X(o=-0.027,f=0.02) USER MOD Single : A 22 ASN :FLIP amide:sc= -0.148 F(o=-3.2!,f=-0.15) USER MOD Single : A 24 LYS NZ :NH3+ -177:sc= 1.29 (180deg=1.14) USER MOD Single : A 25 HIS : no HE2:sc= -3.3 X(o=-3.3,f=-3.7!) USER MOD Single : A 30 ASN : amide:sc= 0.331 K(o=0.33,f=-1.1) USER MOD Single : A 31 THR OG1 : rot -91:sc= -2.64! USER MOD Single : A 33 ASN :FLIP amide:sc= -0.229 F(o=-0.97,f=-0.23) USER MOD Single : A 37 GLN : amide:sc= -2.14! C(o=-2.1!,f=-5.7!) USER MOD Single : A 43 LYS NZ :NH3+ -169:sc= -0.023 (180deg=-0.149) USER MOD Single : A 54 LYS NZ :NH3+ 136:sc= 1.22 (180deg=-0.114) USER MOD Single : A 56 LYS NZ :NH3+ 163:sc= 1.29 (180deg=0.861) USER MOD Single : A 59 GLN : amide:sc= -0.109 K(o=-0.11,f=-1) USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 171:sc= -0.0338 (180deg=-0.184) USER MOD Single : B 123 SER OG : rot -32:sc= 1.73 USER MOD Single : B 124 MET CE :methyl 176:sc= -3.26! (180deg=-3.34!) USER MOD Single : B 125 LYS NZ :NH3+ 161:sc= 0.0222 (180deg=0.000196) USER MOD Single : C 222 ASN : amide:sc= -1.29 X(o=-1.3,f=-1.3) USER MOD Single : C 224 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 225 HIS : no HE2:sc= -1.52 K(o=-1.5,f=-3.3) USER MOD Single : C 227 LYS NZ :NH3+ -175:sc= -4.71! (180deg=-5.4!) USER MOD Single : C 230 ASN : amide:sc= 0 K(o=0,f=-0.9) USER MOD Single : C 231 THR OG1 : rot -167:sc= -2.99! USER MOD Single : C 233 ASN :FLIP amide:sc= -0.184 F(o=-0.89,f=-0.18) USER MOD Single : C 237 GLN : amide:sc= -1.72! C(o=-1.7!,f=-4!) USER MOD Single : C 243 LYS NZ :NH3+ -169:sc= -0.027 (180deg=-0.175) USER MOD Single : C 248 GLN : amide:sc= 0.0792 K(o=0.079,f=-1.3) USER MOD Single : C 254 LYS NZ :NH3+ 180:sc= -1.53! (180deg=-1.53!) USER MOD Single : C 256 LYS NZ :NH3+ -111:sc= 0.0176 (180deg=0) USER MOD Single : C 261 TYR OH : rot -130:sc= -2.09! USER MOD Single : C 264 LYS NZ :NH3+ 176:sc= 0.454 (180deg=0.443) USER MOD Single : C 267 ASN :FLIP amide:sc= 0 F(o=-0.98,f=0) USER MOD Single : D 323 SER OG : rot -33:sc= 1.78 USER MOD Single : D 324 MET CE :methyl -143:sc= -0.068 (180deg=-2.15!) USER MOD Single : D 325 LYS NZ :NH3+ 172:sc= 1.26 (180deg=1.16) USER MOD ----------------------------------------------------------------- ATOM 115 N ARG A 8 1.891 10.179 -15.363 1.00 71.41 N ATOM 116 CA ARG A 8 0.527 9.674 -15.356 1.00 12.11 C ATOM 117 C ARG A 8 0.121 9.242 -13.993 1.00 2.51 C ATOM 118 O ARG A 8 0.964 9.020 -13.117 1.00 22.12 O ATOM 119 CB ARG A 8 0.350 8.501 -16.324 1.00 0.04 C ATOM 120 CG ARG A 8 0.531 8.859 -17.773 1.00 32.31 C ATOM 121 CD ARG A 8 0.398 7.649 -18.663 1.00 32.24 C ATOM 122 NE ARG A 8 0.546 8.016 -20.063 1.00 22.23 N ATOM 123 CZ ARG A 8 1.110 7.268 -21.006 1.00 64.43 C ATOM 124 NH1 ARG A 8 1.622 6.081 -20.705 1.00 25.11 N ATOM 125 NH2 ARG A 8 1.161 7.721 -22.250 1.00 72.41 N ATOM 0 HA ARG A 8 -0.110 10.497 -15.681 1.00 12.11 H new ATOM 0 HB2 ARG A 8 1.064 7.720 -16.063 1.00 0.04 H new ATOM 0 HB3 ARG A 8 -0.646 8.081 -16.188 1.00 0.04 H new ATOM 0 HG2 ARG A 8 -0.210 9.606 -18.059 1.00 32.31 H new ATOM 0 HG3 ARG A 8 1.512 9.312 -17.917 1.00 32.31 H new ATOM 0 HD2 ARG A 8 1.153 6.910 -18.395 1.00 32.24 H new ATOM 0 HD3 ARG A 8 -0.574 7.182 -18.506 1.00 32.24 H new ATOM 0 HE ARG A 8 0.185 8.927 -20.346 1.00 22.23 H new ATOM 0 HH11 ARG A 8 1.584 5.738 -19.745 1.00 25.11 H new ATOM 0 HH12 ARG A 8 2.053 5.512 -21.433 1.00 25.11 H new ATOM 0 HH21 ARG A 8 0.770 8.635 -22.476 1.00 72.41 H new ATOM 0 HH22 ARG A 8 1.592 7.155 -22.981 1.00 72.41 H new ATOM 139 N CYS A 9 -1.152 9.139 -13.814 1.00 53.12 N ATOM 140 CA CYS A 9 -1.719 8.669 -12.606 1.00 51.24 C ATOM 141 C CYS A 9 -2.567 7.464 -12.978 1.00 13.04 C ATOM 142 O CYS A 9 -3.303 7.527 -13.958 1.00 71.15 O ATOM 143 CB CYS A 9 -2.542 9.785 -11.966 1.00 64.24 C ATOM 144 SG CYS A 9 -1.567 11.318 -11.687 1.00 61.23 S ATOM 0 H CYS A 9 -1.841 9.387 -14.525 1.00 53.12 H new ATOM 0 HA CYS A 9 -0.967 8.377 -11.872 1.00 51.24 H new ATOM 0 HB2 CYS A 9 -3.395 10.014 -12.605 1.00 64.24 H new ATOM 0 HB3 CYS A 9 -2.942 9.436 -11.014 1.00 64.24 H new ATOM 149 N PRO A 10 -2.457 6.350 -12.229 1.00 22.23 N ATOM 150 CA PRO A 10 -3.097 5.081 -12.588 1.00 25.03 C ATOM 151 C PRO A 10 -4.601 5.177 -12.805 1.00 44.32 C ATOM 152 O PRO A 10 -5.112 4.778 -13.852 1.00 63.15 O ATOM 153 CB PRO A 10 -2.793 4.167 -11.392 1.00 52.20 C ATOM 154 CG PRO A 10 -1.610 4.768 -10.740 1.00 64.34 C ATOM 155 CD PRO A 10 -1.712 6.241 -10.966 1.00 63.15 C ATOM 0 HA PRO A 10 -2.714 4.720 -13.543 1.00 25.03 H new ATOM 0 HB2 PRO A 10 -3.639 4.120 -10.707 1.00 52.20 H new ATOM 0 HB3 PRO A 10 -2.588 3.147 -11.717 1.00 52.20 H new ATOM 0 HG2 PRO A 10 -1.594 4.538 -9.675 1.00 64.34 H new ATOM 0 HG3 PRO A 10 -0.688 4.372 -11.166 1.00 64.34 H new ATOM 0 HD2 PRO A 10 -2.236 6.736 -10.148 1.00 63.15 H new ATOM 0 HD3 PRO A 10 -0.728 6.704 -11.041 1.00 63.15 H new ATOM 163 N CYS A 11 -5.300 5.667 -11.832 1.00 24.32 N ATOM 164 CA CYS A 11 -6.723 5.703 -11.902 1.00 54.25 C ATOM 165 C CYS A 11 -7.269 7.058 -12.296 1.00 71.34 C ATOM 166 O CYS A 11 -6.795 8.105 -11.833 1.00 21.15 O ATOM 167 CB CYS A 11 -7.284 5.221 -10.606 1.00 72.34 C ATOM 168 SG CYS A 11 -6.584 3.614 -10.150 1.00 4.13 S ATOM 0 H CYS A 11 -4.904 6.050 -10.974 1.00 24.32 H new ATOM 0 HA CYS A 11 -7.042 5.036 -12.703 1.00 54.25 H new ATOM 0 HB2 CYS A 11 -7.074 5.948 -9.822 1.00 72.34 H new ATOM 0 HB3 CYS A 11 -8.368 5.140 -10.683 1.00 72.34 H new ATOM 173 N ARG A 12 -8.267 7.035 -13.156 1.00 22.20 N ATOM 174 CA ARG A 12 -8.927 8.243 -13.603 1.00 4.14 C ATOM 175 C ARG A 12 -9.993 8.624 -12.573 1.00 51.11 C ATOM 176 O ARG A 12 -10.240 9.796 -12.316 1.00 43.32 O ATOM 177 CB ARG A 12 -9.584 8.010 -14.982 1.00 74.13 C ATOM 178 CG ARG A 12 -10.142 9.266 -15.675 1.00 15.45 C ATOM 179 CD ARG A 12 -9.035 10.176 -16.218 1.00 64.01 C ATOM 180 NE ARG A 12 -8.148 10.712 -15.177 1.00 53.31 N ATOM 181 CZ ARG A 12 -6.796 10.722 -15.257 1.00 2.45 C ATOM 182 NH1 ARG A 12 -6.181 10.172 -16.312 1.00 22.45 N ATOM 183 NH2 ARG A 12 -6.070 11.272 -14.287 1.00 72.11 N ATOM 0 H ARG A 12 -8.642 6.179 -13.564 1.00 22.20 H new ATOM 0 HA ARG A 12 -8.199 9.048 -13.701 1.00 4.14 H new ATOM 0 HB2 ARG A 12 -8.848 7.550 -15.642 1.00 74.13 H new ATOM 0 HB3 ARG A 12 -10.396 7.293 -14.861 1.00 74.13 H new ATOM 0 HG2 ARG A 12 -10.795 8.965 -16.494 1.00 15.45 H new ATOM 0 HG3 ARG A 12 -10.754 9.826 -14.968 1.00 15.45 H new ATOM 0 HD2 ARG A 12 -8.438 9.617 -16.939 1.00 64.01 H new ATOM 0 HD3 ARG A 12 -9.491 11.006 -16.757 1.00 64.01 H new ATOM 0 HE ARG A 12 -8.579 11.102 -14.339 1.00 53.31 H new ATOM 0 HH11 ARG A 12 -6.731 9.745 -17.057 1.00 22.45 H new ATOM 0 HH12 ARG A 12 -5.163 10.181 -16.370 1.00 22.45 H new ATOM 0 HH21 ARG A 12 -6.531 11.689 -13.478 1.00 72.11 H new ATOM 0 HH22 ARG A 12 -5.052 11.277 -14.352 1.00 72.11 H new ATOM 197 N PHE A 13 -10.610 7.598 -11.983 1.00 62.21 N ATOM 198 CA PHE A 13 -11.637 7.760 -10.964 1.00 70.11 C ATOM 199 C PHE A 13 -11.394 6.782 -9.834 1.00 43.30 C ATOM 200 O PHE A 13 -10.898 5.668 -10.060 1.00 74.22 O ATOM 201 CB PHE A 13 -13.044 7.587 -11.537 1.00 4.45 C ATOM 202 CG PHE A 13 -13.448 8.647 -12.522 1.00 2.04 C ATOM 203 CD1 PHE A 13 -13.956 9.858 -12.078 1.00 3.23 C ATOM 204 CD2 PHE A 13 -13.335 8.435 -13.886 1.00 32.13 C ATOM 205 CE1 PHE A 13 -14.338 10.836 -12.971 1.00 71.02 C ATOM 206 CE2 PHE A 13 -13.713 9.410 -14.783 1.00 43.32 C ATOM 207 CZ PHE A 13 -14.216 10.614 -14.324 1.00 21.41 C ATOM 0 H PHE A 13 -10.405 6.624 -12.205 1.00 62.21 H new ATOM 0 HA PHE A 13 -11.574 8.778 -10.580 1.00 70.11 H new ATOM 0 HB2 PHE A 13 -13.108 6.613 -12.023 1.00 4.45 H new ATOM 0 HB3 PHE A 13 -13.760 7.581 -10.715 1.00 4.45 H new ATOM 0 HD1 PHE A 13 -14.054 10.038 -11.018 1.00 3.23 H new ATOM 0 HD2 PHE A 13 -12.946 7.495 -14.250 1.00 32.13 H new ATOM 0 HE1 PHE A 13 -14.732 11.774 -12.610 1.00 71.02 H new ATOM 0 HE2 PHE A 13 -13.617 9.234 -15.844 1.00 43.32 H new ATOM 0 HZ PHE A 13 -14.513 11.379 -15.026 1.00 21.41 H new ATOM 217 N PHE A 14 -11.724 7.197 -8.644 1.00 3.33 N ATOM 218 CA PHE A 14 -11.435 6.439 -7.425 1.00 52.44 C ATOM 219 C PHE A 14 -12.618 6.421 -6.434 1.00 31.15 C ATOM 220 O PHE A 14 -13.127 7.441 -6.108 1.00 75.15 O ATOM 221 CB PHE A 14 -10.126 6.959 -6.776 1.00 62.21 C ATOM 222 CG PHE A 14 -10.034 8.468 -6.637 1.00 33.12 C ATOM 223 CD1 PHE A 14 -10.575 9.123 -5.551 1.00 62.44 C ATOM 224 CD2 PHE A 14 -9.389 9.223 -7.612 1.00 25.52 C ATOM 225 CE1 PHE A 14 -10.486 10.495 -5.431 1.00 75.31 C ATOM 226 CE2 PHE A 14 -9.299 10.597 -7.495 1.00 25.22 C ATOM 227 CZ PHE A 14 -9.849 11.232 -6.404 1.00 34.42 C ATOM 0 H PHE A 14 -12.207 8.079 -8.474 1.00 3.33 H new ATOM 0 HA PHE A 14 -11.287 5.397 -7.708 1.00 52.44 H new ATOM 0 HB2 PHE A 14 -10.026 6.511 -5.787 1.00 62.21 H new ATOM 0 HB3 PHE A 14 -9.281 6.612 -7.370 1.00 62.21 H new ATOM 0 HD1 PHE A 14 -11.076 8.554 -4.782 1.00 62.44 H new ATOM 0 HD2 PHE A 14 -8.954 8.730 -8.469 1.00 25.52 H new ATOM 0 HE1 PHE A 14 -10.916 10.991 -4.573 1.00 75.31 H new ATOM 0 HE2 PHE A 14 -8.797 11.173 -8.259 1.00 25.22 H new ATOM 0 HZ PHE A 14 -9.781 12.306 -6.312 1.00 34.42 H new ATOM 237 N GLU A 15 -12.996 5.249 -5.936 1.00 22.00 N ATOM 238 CA GLU A 15 -14.132 5.115 -5.035 1.00 42.33 C ATOM 239 C GLU A 15 -13.962 5.822 -3.746 1.00 42.31 C ATOM 240 O GLU A 15 -12.943 5.707 -3.079 1.00 13.31 O ATOM 241 CB GLU A 15 -14.489 3.681 -4.714 1.00 22.24 C ATOM 242 CG GLU A 15 -15.144 2.958 -5.810 1.00 43.12 C ATOM 243 CD GLU A 15 -15.771 1.664 -5.342 1.00 2.20 C ATOM 244 OE1 GLU A 15 -16.368 1.657 -4.250 1.00 41.22 O ATOM 245 OE2 GLU A 15 -15.744 0.681 -6.069 1.00 62.32 O ATOM 0 H GLU A 15 -12.525 4.369 -6.145 1.00 22.00 H new ATOM 0 HA GLU A 15 -14.938 5.578 -5.603 1.00 42.33 H new ATOM 0 HB2 GLU A 15 -13.580 3.147 -4.435 1.00 22.24 H new ATOM 0 HB3 GLU A 15 -15.146 3.669 -3.844 1.00 22.24 H new ATOM 0 HG2 GLU A 15 -15.911 3.592 -6.255 1.00 43.12 H new ATOM 0 HG3 GLU A 15 -14.414 2.745 -6.591 1.00 43.12 H new ATOM 252 N SER A 16 -14.982 6.524 -3.383 1.00 54.35 N ATOM 253 CA SER A 16 -15.024 7.182 -2.141 1.00 4.34 C ATOM 254 C SER A 16 -16.146 6.580 -1.273 1.00 24.21 C ATOM 255 O SER A 16 -16.432 7.053 -0.184 1.00 54.05 O ATOM 256 CB SER A 16 -15.227 8.663 -2.380 1.00 4.54 C ATOM 257 OG SER A 16 -16.398 8.903 -3.147 1.00 53.04 O ATOM 0 H SER A 16 -15.816 6.653 -3.955 1.00 54.35 H new ATOM 0 HA SER A 16 -14.086 7.047 -1.602 1.00 4.34 H new ATOM 0 HB2 SER A 16 -15.302 9.181 -1.424 1.00 4.54 H new ATOM 0 HB3 SER A 16 -14.360 9.073 -2.897 1.00 4.54 H new ATOM 0 HG SER A 16 -16.864 9.690 -2.795 1.00 53.04 H new ATOM 263 N HIS A 17 -16.789 5.531 -1.790 1.00 10.44 N ATOM 264 CA HIS A 17 -17.855 4.827 -1.057 1.00 44.33 C ATOM 265 C HIS A 17 -17.603 3.329 -0.994 1.00 51.43 C ATOM 266 O HIS A 17 -18.488 2.553 -0.636 1.00 44.21 O ATOM 267 CB HIS A 17 -19.266 5.147 -1.606 1.00 45.34 C ATOM 268 CG HIS A 17 -19.803 6.495 -1.192 1.00 71.13 C ATOM 269 ND1 HIS A 17 -21.011 6.660 -0.556 1.00 13.13 N ATOM 270 CD2 HIS A 17 -19.290 7.739 -1.323 1.00 61.11 C ATOM 271 CE1 HIS A 17 -21.215 7.938 -0.317 1.00 32.24 C ATOM 272 NE2 HIS A 17 -20.185 8.618 -0.770 1.00 73.05 N ATOM 0 H HIS A 17 -16.593 5.146 -2.714 1.00 10.44 H new ATOM 0 HA HIS A 17 -17.827 5.206 -0.035 1.00 44.33 H new ATOM 0 HB2 HIS A 17 -19.239 5.099 -2.695 1.00 45.34 H new ATOM 0 HB3 HIS A 17 -19.958 4.375 -1.270 1.00 45.34 H new ATOM 0 HD2 HIS A 17 -18.346 7.994 -1.781 1.00 61.11 H new ATOM 0 HE1 HIS A 17 -22.083 8.358 0.170 1.00 32.24 H new ATOM 0 HE2 HIS A 17 -20.071 9.630 -0.719 1.00 73.05 H new ATOM 281 N VAL A 18 -16.381 2.944 -1.309 1.00 63.12 N ATOM 282 CA VAL A 18 -15.929 1.558 -1.208 1.00 40.31 C ATOM 283 C VAL A 18 -15.892 1.114 0.267 1.00 44.41 C ATOM 284 O VAL A 18 -15.677 1.944 1.172 1.00 3.13 O ATOM 285 CB VAL A 18 -14.547 1.368 -1.923 1.00 14.23 C ATOM 286 CG1 VAL A 18 -13.593 2.446 -1.545 1.00 63.04 C ATOM 287 CG2 VAL A 18 -13.948 -0.030 -1.724 1.00 11.04 C ATOM 0 H VAL A 18 -15.663 3.586 -1.646 1.00 63.12 H new ATOM 0 HA VAL A 18 -16.641 0.914 -1.724 1.00 40.31 H new ATOM 0 HB VAL A 18 -14.738 1.452 -2.993 1.00 14.23 H new ATOM 0 HG11 VAL A 18 -12.644 2.287 -2.056 1.00 63.04 H new ATOM 0 HG12 VAL A 18 -14.004 3.413 -1.834 1.00 63.04 H new ATOM 0 HG13 VAL A 18 -13.432 2.428 -0.467 1.00 63.04 H new ATOM 0 HG21 VAL A 18 -12.992 -0.094 -2.245 1.00 11.04 H new ATOM 0 HG22 VAL A 18 -13.795 -0.212 -0.660 1.00 11.04 H new ATOM 0 HG23 VAL A 18 -14.631 -0.779 -2.126 1.00 11.04 H new ATOM 297 N ALA A 19 -16.099 -0.169 0.505 1.00 4.20 N ATOM 298 CA ALA A 19 -16.261 -0.689 1.840 1.00 43.11 C ATOM 299 C ALA A 19 -15.021 -1.393 2.368 1.00 44.32 C ATOM 300 O ALA A 19 -14.404 -2.211 1.674 1.00 35.31 O ATOM 301 CB ALA A 19 -17.445 -1.634 1.884 1.00 25.43 C ATOM 0 H ALA A 19 -16.159 -0.876 -0.227 1.00 4.20 H new ATOM 0 HA ALA A 19 -16.434 0.169 2.490 1.00 43.11 H new ATOM 0 HB1 ALA A 19 -17.562 -2.024 2.895 1.00 25.43 H new ATOM 0 HB2 ALA A 19 -18.349 -1.098 1.594 1.00 25.43 H new ATOM 0 HB3 ALA A 19 -17.276 -2.461 1.194 1.00 25.43 H new ATOM 307 N ARG A 20 -14.694 -1.084 3.614 1.00 2.25 N ATOM 308 CA ARG A 20 -13.587 -1.692 4.368 1.00 24.44 C ATOM 309 C ARG A 20 -13.742 -3.215 4.450 1.00 24.11 C ATOM 310 O ARG A 20 -12.761 -3.957 4.475 1.00 42.25 O ATOM 311 CB ARG A 20 -13.606 -1.087 5.786 1.00 44.54 C ATOM 312 CG ARG A 20 -12.729 -1.775 6.839 1.00 12.42 C ATOM 313 CD ARG A 20 -11.247 -1.674 6.553 1.00 61.14 C ATOM 314 NE ARG A 20 -10.475 -2.354 7.597 1.00 3.44 N ATOM 315 CZ ARG A 20 -9.607 -1.769 8.437 1.00 55.52 C ATOM 316 NH1 ARG A 20 -9.399 -0.450 8.393 1.00 32.10 N ATOM 317 NH2 ARG A 20 -8.970 -2.506 9.344 1.00 12.23 N ATOM 0 H ARG A 20 -15.202 -0.382 4.153 1.00 2.25 H new ATOM 0 HA ARG A 20 -12.642 -1.487 3.865 1.00 24.44 H new ATOM 0 HB2 ARG A 20 -13.298 -0.044 5.715 1.00 44.54 H new ATOM 0 HB3 ARG A 20 -14.635 -1.092 6.144 1.00 44.54 H new ATOM 0 HG2 ARG A 20 -12.933 -1.333 7.814 1.00 12.42 H new ATOM 0 HG3 ARG A 20 -13.008 -2.827 6.901 1.00 12.42 H new ATOM 0 HD2 ARG A 20 -11.027 -2.118 5.582 1.00 61.14 H new ATOM 0 HD3 ARG A 20 -10.952 -0.626 6.498 1.00 61.14 H new ATOM 0 HE ARG A 20 -10.609 -3.360 7.694 1.00 3.44 H new ATOM 0 HH11 ARG A 20 -9.902 0.123 7.716 1.00 32.10 H new ATOM 0 HH12 ARG A 20 -8.737 -0.016 9.036 1.00 32.10 H new ATOM 0 HH21 ARG A 20 -9.143 -3.510 9.398 1.00 12.23 H new ATOM 0 HH22 ARG A 20 -8.309 -2.067 9.985 1.00 12.23 H new ATOM 331 N ALA A 21 -14.967 -3.656 4.482 1.00 11.42 N ATOM 332 CA ALA A 21 -15.288 -5.049 4.630 1.00 41.13 C ATOM 333 C ALA A 21 -15.211 -5.837 3.325 1.00 2.13 C ATOM 334 O ALA A 21 -15.256 -7.061 3.351 1.00 42.41 O ATOM 335 CB ALA A 21 -16.671 -5.201 5.251 1.00 50.11 C ATOM 0 H ALA A 21 -15.784 -3.050 4.405 1.00 11.42 H new ATOM 0 HA ALA A 21 -14.529 -5.472 5.289 1.00 41.13 H new ATOM 0 HB1 ALA A 21 -16.907 -6.260 5.360 1.00 50.11 H new ATOM 0 HB2 ALA A 21 -16.684 -4.724 6.231 1.00 50.11 H new ATOM 0 HB3 ALA A 21 -17.413 -4.728 4.607 1.00 50.11 H new ATOM 341 N ASN A 22 -15.090 -5.176 2.188 1.00 75.20 N ATOM 342 CA ASN A 22 -15.178 -5.937 0.948 1.00 31.23 C ATOM 343 C ASN A 22 -13.904 -5.834 0.069 1.00 32.32 C ATOM 344 O ASN A 22 -13.873 -6.326 -1.050 1.00 23.21 O ATOM 345 CB ASN A 22 -16.486 -5.569 0.196 1.00 32.23 C ATOM 346 CG ASN A 22 -16.852 -6.530 -0.942 1.00 24.20 C ATOM 347 OD1 ASN A 22 -16.523 -6.183 -2.149 1.00 71.24 O flip ATOM 348 ND2 ASN A 22 -17.495 -7.561 -0.718 1.00 2.43 N flip ATOM 0 H ASN A 22 -14.939 -4.172 2.092 1.00 75.20 H new ATOM 0 HA ASN A 22 -15.229 -6.995 1.205 1.00 31.23 H new ATOM 0 HB2 ASN A 22 -17.308 -5.543 0.912 1.00 32.23 H new ATOM 0 HB3 ASN A 22 -16.386 -4.563 -0.212 1.00 32.23 H new ATOM 0 HD21 ASN A 22 -17.741 -7.811 0.240 1.00 2.43 H new ATOM 0 HD22 ASN A 22 -17.780 -8.162 -1.491 1.00 2.43 H new ATOM 355 N VAL A 23 -12.856 -5.211 0.574 1.00 21.32 N ATOM 356 CA VAL A 23 -11.575 -5.182 -0.159 1.00 24.10 C ATOM 357 C VAL A 23 -10.622 -6.296 0.328 1.00 63.52 C ATOM 358 O VAL A 23 -10.766 -6.783 1.436 1.00 42.44 O ATOM 359 CB VAL A 23 -10.854 -3.816 -0.034 1.00 23.42 C ATOM 360 CG1 VAL A 23 -11.708 -2.705 -0.620 1.00 11.00 C ATOM 361 CG2 VAL A 23 -10.498 -3.514 1.423 1.00 34.33 C ATOM 0 H VAL A 23 -12.850 -4.723 1.470 1.00 21.32 H new ATOM 0 HA VAL A 23 -11.827 -5.347 -1.207 1.00 24.10 H new ATOM 0 HB VAL A 23 -9.925 -3.871 -0.602 1.00 23.42 H new ATOM 0 HG11 VAL A 23 -11.185 -1.754 -0.523 1.00 11.00 H new ATOM 0 HG12 VAL A 23 -11.897 -2.909 -1.674 1.00 11.00 H new ATOM 0 HG13 VAL A 23 -12.656 -2.654 -0.084 1.00 11.00 H new ATOM 0 HG21 VAL A 23 -9.993 -2.550 1.482 1.00 34.33 H new ATOM 0 HG22 VAL A 23 -11.409 -3.484 2.021 1.00 34.33 H new ATOM 0 HG23 VAL A 23 -9.838 -4.293 1.805 1.00 34.33 H new ATOM 371 N LYS A 24 -9.691 -6.725 -0.539 1.00 50.35 N ATOM 372 CA LYS A 24 -8.656 -7.676 -0.167 1.00 15.42 C ATOM 373 C LYS A 24 -7.386 -6.958 0.301 1.00 31.34 C ATOM 374 O LYS A 24 -7.043 -6.985 1.467 1.00 50.51 O ATOM 375 CB LYS A 24 -8.275 -8.627 -1.325 1.00 73.42 C ATOM 376 CG LYS A 24 -9.375 -9.550 -1.771 1.00 62.13 C ATOM 377 CD LYS A 24 -8.835 -10.684 -2.638 1.00 20.23 C ATOM 378 CE LYS A 24 -8.442 -10.269 -4.056 1.00 72.13 C ATOM 379 NZ LYS A 24 -9.614 -10.142 -4.948 1.00 14.12 N ATOM 0 H LYS A 24 -9.643 -6.418 -1.511 1.00 50.35 H new ATOM 0 HA LYS A 24 -9.079 -8.266 0.646 1.00 15.42 H new ATOM 0 HB2 LYS A 24 -7.954 -8.028 -2.178 1.00 73.42 H new ATOM 0 HB3 LYS A 24 -7.419 -9.227 -1.017 1.00 73.42 H new ATOM 0 HG2 LYS A 24 -9.879 -9.966 -0.898 1.00 62.13 H new ATOM 0 HG3 LYS A 24 -10.121 -8.986 -2.331 1.00 62.13 H new ATOM 0 HD2 LYS A 24 -7.964 -11.117 -2.146 1.00 20.23 H new ATOM 0 HD3 LYS A 24 -9.590 -11.468 -2.699 1.00 20.23 H new ATOM 0 HE2 LYS A 24 -7.911 -9.318 -4.020 1.00 72.13 H new ATOM 0 HE3 LYS A 24 -7.752 -11.004 -4.469 1.00 72.13 H new ATOM 0 HZ1 LYS A 24 -9.295 -9.909 -5.910 1.00 14.12 H new ATOM 0 HZ2 LYS A 24 -10.136 -11.041 -4.965 1.00 14.12 H new ATOM 0 HZ3 LYS A 24 -10.237 -9.386 -4.597 1.00 14.12 H new ATOM 393 N HIS A 25 -6.688 -6.305 -0.633 1.00 24.11 N ATOM 394 CA HIS A 25 -5.429 -5.645 -0.294 1.00 2.00 C ATOM 395 C HIS A 25 -5.470 -4.214 -0.771 1.00 35.41 C ATOM 396 O HIS A 25 -6.317 -3.865 -1.603 1.00 0.23 O ATOM 397 CB HIS A 25 -4.181 -6.364 -0.944 1.00 64.32 C ATOM 398 CG HIS A 25 -3.909 -6.091 -2.447 1.00 55.25 C ATOM 399 ND1 HIS A 25 -3.839 -7.065 -3.419 1.00 41.34 N ATOM 400 CD2 HIS A 25 -3.593 -4.937 -3.094 1.00 71.42 C ATOM 401 CE1 HIS A 25 -3.484 -6.512 -4.564 1.00 25.31 C ATOM 402 NE2 HIS A 25 -3.340 -5.234 -4.392 1.00 42.02 N ATOM 0 H HIS A 25 -6.968 -6.221 -1.610 1.00 24.11 H new ATOM 0 HA HIS A 25 -5.317 -5.692 0.789 1.00 2.00 H new ATOM 0 HB2 HIS A 25 -3.293 -6.074 -0.382 1.00 64.32 H new ATOM 0 HB3 HIS A 25 -4.304 -7.439 -0.813 1.00 64.32 H new ATOM 0 HD1 HIS A 25 -4.031 -8.057 -3.276 1.00 41.34 H new ATOM 0 HD2 HIS A 25 -3.551 -3.953 -2.650 1.00 71.42 H new ATOM 0 HE1 HIS A 25 -3.337 -7.039 -5.495 1.00 25.31 H new ATOM 411 N LEU A 26 -4.519 -3.415 -0.326 1.00 55.23 N ATOM 412 CA LEU A 26 -4.405 -2.037 -0.779 1.00 24.33 C ATOM 413 C LEU A 26 -3.076 -1.853 -1.504 1.00 61.13 C ATOM 414 O LEU A 26 -2.051 -2.263 -1.022 1.00 42.55 O ATOM 415 CB LEU A 26 -4.540 -1.012 0.383 1.00 24.13 C ATOM 416 CG LEU A 26 -5.928 -0.860 1.066 1.00 32.11 C ATOM 417 CD1 LEU A 26 -6.351 -2.111 1.818 1.00 13.34 C ATOM 418 CD2 LEU A 26 -5.938 0.348 1.989 1.00 34.40 C ATOM 0 H LEU A 26 -3.810 -3.696 0.352 1.00 55.23 H new ATOM 0 HA LEU A 26 -5.232 -1.841 -1.462 1.00 24.33 H new ATOM 0 HB2 LEU A 26 -3.817 -1.283 1.153 1.00 24.13 H new ATOM 0 HB3 LEU A 26 -4.247 -0.034 0.001 1.00 24.13 H new ATOM 0 HG LEU A 26 -6.658 -0.708 0.271 1.00 32.11 H new ATOM 0 HD11 LEU A 26 -7.327 -1.948 2.275 1.00 13.34 H new ATOM 0 HD12 LEU A 26 -6.410 -2.950 1.124 1.00 13.34 H new ATOM 0 HD13 LEU A 26 -5.619 -2.333 2.595 1.00 13.34 H new ATOM 0 HD21 LEU A 26 -6.917 0.439 2.459 1.00 34.40 H new ATOM 0 HD22 LEU A 26 -5.177 0.224 2.759 1.00 34.40 H new ATOM 0 HD23 LEU A 26 -5.727 1.248 1.412 1.00 34.40 H new ATOM 430 N LYS A 27 -3.115 -1.291 -2.675 1.00 64.51 N ATOM 431 CA LYS A 27 -1.927 -1.078 -3.464 1.00 40.44 C ATOM 432 C LYS A 27 -1.678 0.408 -3.609 1.00 61.22 C ATOM 433 O LYS A 27 -2.493 1.103 -4.176 1.00 60.20 O ATOM 434 CB LYS A 27 -2.100 -1.747 -4.824 1.00 34.20 C ATOM 435 CG LYS A 27 -0.831 -1.742 -5.620 1.00 30.14 C ATOM 436 CD LYS A 27 -0.815 -2.759 -6.747 1.00 25.12 C ATOM 437 CE LYS A 27 -1.704 -2.469 -7.935 1.00 71.51 C ATOM 438 NZ LYS A 27 -3.149 -2.311 -7.663 1.00 52.13 N ATOM 0 H LYS A 27 -3.974 -0.964 -3.117 1.00 64.51 H new ATOM 0 HA LYS A 27 -1.062 -1.521 -2.971 1.00 40.44 H new ATOM 0 HB2 LYS A 27 -2.434 -2.775 -4.682 1.00 34.20 H new ATOM 0 HB3 LYS A 27 -2.881 -1.232 -5.384 1.00 34.20 H new ATOM 0 HG2 LYS A 27 -0.678 -0.747 -6.038 1.00 30.14 H new ATOM 0 HG3 LYS A 27 0.008 -1.939 -4.952 1.00 30.14 H new ATOM 0 HD2 LYS A 27 0.210 -2.855 -7.104 1.00 25.12 H new ATOM 0 HD3 LYS A 27 -1.101 -3.727 -6.336 1.00 25.12 H new ATOM 0 HE2 LYS A 27 -1.346 -1.557 -8.412 1.00 71.51 H new ATOM 0 HE3 LYS A 27 -1.580 -3.276 -8.657 1.00 71.51 H new ATOM 0 HZ1 LYS A 27 -3.697 -2.771 -8.418 1.00 52.13 H new ATOM 0 HZ2 LYS A 27 -3.380 -2.751 -6.750 1.00 52.13 H new ATOM 0 HZ3 LYS A 27 -3.387 -1.299 -7.630 1.00 52.13 H new ATOM 452 N ILE A 28 -0.556 0.888 -3.110 1.00 52.50 N ATOM 453 CA ILE A 28 -0.300 2.312 -3.077 1.00 5.34 C ATOM 454 C ILE A 28 0.721 2.719 -4.140 1.00 11.24 C ATOM 455 O ILE A 28 1.874 2.226 -4.156 1.00 10.02 O ATOM 456 CB ILE A 28 0.244 2.758 -1.693 1.00 60.54 C ATOM 457 CG1 ILE A 28 -0.643 2.229 -0.559 1.00 62.55 C ATOM 458 CG2 ILE A 28 0.313 4.281 -1.626 1.00 42.41 C ATOM 459 CD1 ILE A 28 -0.176 2.644 0.821 1.00 52.55 C ATOM 0 H ILE A 28 0.192 0.312 -2.722 1.00 52.50 H new ATOM 0 HA ILE A 28 -1.254 2.800 -3.274 1.00 5.34 H new ATOM 0 HB ILE A 28 1.245 2.344 -1.570 1.00 60.54 H new ATOM 0 HG12 ILE A 28 -1.662 2.584 -0.710 1.00 62.55 H new ATOM 0 HG13 ILE A 28 -0.674 1.141 -0.611 1.00 62.55 H new ATOM 0 HG21 ILE A 28 0.696 4.585 -0.652 1.00 42.41 H new ATOM 0 HG22 ILE A 28 0.977 4.650 -2.408 1.00 42.41 H new ATOM 0 HG23 ILE A 28 -0.684 4.697 -1.770 1.00 42.41 H new ATOM 0 HD11 ILE A 28 -0.851 2.234 1.572 1.00 52.55 H new ATOM 0 HD12 ILE A 28 0.832 2.266 0.993 1.00 52.55 H new ATOM 0 HD13 ILE A 28 -0.172 3.732 0.892 1.00 52.55 H new ATOM 471 N LEU A 29 0.312 3.590 -5.016 1.00 24.12 N ATOM 472 CA LEU A 29 1.192 4.146 -6.001 1.00 33.34 C ATOM 473 C LEU A 29 1.216 5.648 -5.814 1.00 55.23 C ATOM 474 O LEU A 29 0.230 6.347 -6.088 1.00 34.32 O ATOM 475 CB LEU A 29 0.835 3.749 -7.467 1.00 53.44 C ATOM 476 CG LEU A 29 0.890 2.237 -7.817 1.00 41.24 C ATOM 477 CD1 LEU A 29 -0.295 1.462 -7.269 1.00 65.24 C ATOM 478 CD2 LEU A 29 1.052 2.002 -9.307 1.00 71.14 C ATOM 0 H LEU A 29 -0.646 3.936 -5.067 1.00 24.12 H new ATOM 0 HA LEU A 29 2.186 3.726 -5.846 1.00 33.34 H new ATOM 0 HB2 LEU A 29 -0.171 4.111 -7.681 1.00 53.44 H new ATOM 0 HB3 LEU A 29 1.513 4.277 -8.137 1.00 53.44 H new ATOM 0 HG LEU A 29 1.780 1.850 -7.320 1.00 41.24 H new ATOM 0 HD11 LEU A 29 -0.202 0.412 -7.545 1.00 65.24 H new ATOM 0 HD12 LEU A 29 -0.317 1.551 -6.183 1.00 65.24 H new ATOM 0 HD13 LEU A 29 -1.218 1.866 -7.685 1.00 65.24 H new ATOM 0 HD21 LEU A 29 1.086 0.931 -9.505 1.00 71.14 H new ATOM 0 HD22 LEU A 29 0.209 2.443 -9.839 1.00 71.14 H new ATOM 0 HD23 LEU A 29 1.978 2.463 -9.650 1.00 71.14 H new ATOM 490 N ASN A 30 2.318 6.131 -5.309 1.00 51.32 N ATOM 491 CA ASN A 30 2.470 7.530 -4.987 1.00 5.23 C ATOM 492 C ASN A 30 2.863 8.266 -6.262 1.00 61.40 C ATOM 493 O ASN A 30 3.992 8.144 -6.746 1.00 2.44 O ATOM 494 CB ASN A 30 3.560 7.670 -3.910 1.00 1.50 C ATOM 495 CG ASN A 30 3.624 9.024 -3.215 1.00 33.05 C ATOM 496 OD1 ASN A 30 3.273 10.059 -3.761 1.00 21.14 O ATOM 497 ND2 ASN A 30 4.083 9.009 -1.976 1.00 53.32 N ATOM 0 H ASN A 30 3.142 5.565 -5.107 1.00 51.32 H new ATOM 0 HA ASN A 30 1.544 7.955 -4.600 1.00 5.23 H new ATOM 0 HB2 ASN A 30 3.401 6.900 -3.155 1.00 1.50 H new ATOM 0 HB3 ASN A 30 4.528 7.471 -4.369 1.00 1.50 H new ATOM 0 HD21 ASN A 30 4.152 9.878 -1.447 1.00 53.32 H new ATOM 0 HD22 ASN A 30 4.368 8.128 -1.548 1.00 53.32 H new ATOM 504 N THR A 31 1.917 8.966 -6.823 1.00 2.02 N ATOM 505 CA THR A 31 2.092 9.655 -8.074 1.00 4.32 C ATOM 506 C THR A 31 2.589 11.082 -7.868 1.00 0.15 C ATOM 507 O THR A 31 2.311 11.686 -6.850 1.00 44.43 O ATOM 508 CB THR A 31 0.766 9.669 -8.823 1.00 40.32 C ATOM 509 OG1 THR A 31 -0.253 10.167 -7.953 1.00 34.11 O ATOM 510 CG2 THR A 31 0.398 8.271 -9.277 1.00 20.32 C ATOM 0 H THR A 31 0.987 9.077 -6.419 1.00 2.02 H new ATOM 0 HA THR A 31 2.848 9.127 -8.655 1.00 4.32 H new ATOM 0 HB THR A 31 0.859 10.308 -9.701 1.00 40.32 H new ATOM 0 HG1 THR A 31 -0.671 9.419 -7.477 1.00 34.11 H new ATOM 0 HG21 THR A 31 -0.552 8.300 -9.810 1.00 20.32 H new ATOM 0 HG22 THR A 31 1.174 7.887 -9.939 1.00 20.32 H new ATOM 0 HG23 THR A 31 0.307 7.619 -8.409 1.00 20.32 H new ATOM 518 N PRO A 32 3.324 11.639 -8.841 1.00 41.34 N ATOM 519 CA PRO A 32 3.882 12.976 -8.718 1.00 64.01 C ATOM 520 C PRO A 32 2.860 14.132 -8.921 1.00 71.44 C ATOM 521 O PRO A 32 2.917 15.135 -8.215 1.00 71.34 O ATOM 522 CB PRO A 32 4.967 13.004 -9.797 1.00 44.13 C ATOM 523 CG PRO A 32 4.493 12.048 -10.841 1.00 32.40 C ATOM 524 CD PRO A 32 3.705 10.988 -10.117 1.00 33.54 C ATOM 0 HA PRO A 32 4.247 13.150 -7.706 1.00 64.01 H new ATOM 0 HB2 PRO A 32 5.092 14.006 -10.206 1.00 44.13 H new ATOM 0 HB3 PRO A 32 5.934 12.702 -9.394 1.00 44.13 H new ATOM 0 HG2 PRO A 32 3.874 12.556 -11.581 1.00 32.40 H new ATOM 0 HG3 PRO A 32 5.334 11.609 -11.377 1.00 32.40 H new ATOM 0 HD2 PRO A 32 2.828 10.682 -10.687 1.00 33.54 H new ATOM 0 HD3 PRO A 32 4.302 10.092 -9.946 1.00 33.54 H new ATOM 532 N ASN A 33 1.928 13.986 -9.862 1.00 2.35 N ATOM 533 CA ASN A 33 0.984 15.087 -10.170 1.00 63.43 C ATOM 534 C ASN A 33 -0.409 14.772 -9.604 1.00 63.41 C ATOM 535 O ASN A 33 -1.404 15.419 -9.933 1.00 42.41 O ATOM 536 CB ASN A 33 0.912 15.319 -11.698 1.00 43.05 C ATOM 537 CG ASN A 33 0.154 16.596 -12.113 1.00 12.41 C ATOM 538 OD1 ASN A 33 0.277 17.658 -11.335 1.00 45.25 O flip ATOM 539 ND2 ASN A 33 -0.491 16.635 -13.163 1.00 65.32 N flip ATOM 0 H ASN A 33 1.798 13.141 -10.419 1.00 2.35 H new ATOM 0 HA ASN A 33 1.347 16.001 -9.699 1.00 63.43 H new ATOM 0 HB2 ASN A 33 1.926 15.368 -12.094 1.00 43.05 H new ATOM 0 HB3 ASN A 33 0.430 14.458 -12.162 1.00 43.05 H new ATOM 0 HD21 ASN A 33 -0.570 15.801 -13.744 1.00 65.32 H new ATOM 0 HD22 ASN A 33 -0.946 17.502 -13.450 1.00 65.32 H new ATOM 546 N CYS A 34 -0.456 13.798 -8.751 1.00 53.41 N ATOM 547 CA CYS A 34 -1.685 13.361 -8.121 1.00 61.53 C ATOM 548 C CYS A 34 -1.376 12.988 -6.699 1.00 2.23 C ATOM 549 O CYS A 34 -0.213 12.805 -6.355 1.00 75.23 O ATOM 550 CB CYS A 34 -2.307 12.166 -8.868 1.00 10.41 C ATOM 551 SG CYS A 34 -2.781 12.508 -10.592 1.00 14.50 S ATOM 0 H CYS A 34 0.366 13.268 -8.461 1.00 53.41 H new ATOM 0 HA CYS A 34 -2.414 14.171 -8.151 1.00 61.53 H new ATOM 0 HB2 CYS A 34 -1.596 11.339 -8.858 1.00 10.41 H new ATOM 0 HB3 CYS A 34 -3.190 11.834 -8.322 1.00 10.41 H new ATOM 556 N ALA A 35 -2.388 12.919 -5.870 1.00 2.31 N ATOM 557 CA ALA A 35 -2.227 12.543 -4.473 1.00 11.54 C ATOM 558 C ALA A 35 -1.690 11.103 -4.339 1.00 32.25 C ATOM 559 O ALA A 35 -1.602 10.365 -5.326 1.00 72.45 O ATOM 560 CB ALA A 35 -3.564 12.672 -3.755 1.00 64.15 C ATOM 0 H ALA A 35 -3.351 13.121 -6.138 1.00 2.31 H new ATOM 0 HA ALA A 35 -1.499 13.214 -4.017 1.00 11.54 H new ATOM 0 HB1 ALA A 35 -3.444 12.390 -2.709 1.00 64.15 H new ATOM 0 HB2 ALA A 35 -3.912 13.703 -3.816 1.00 64.15 H new ATOM 0 HB3 ALA A 35 -4.295 12.015 -4.226 1.00 64.15 H new ATOM 566 N CYS A 36 -1.346 10.717 -3.121 1.00 44.53 N ATOM 567 CA CYS A 36 -0.864 9.378 -2.829 1.00 32.33 C ATOM 568 C CYS A 36 -2.041 8.430 -3.008 1.00 23.24 C ATOM 569 O CYS A 36 -2.913 8.344 -2.172 1.00 52.51 O ATOM 570 CB CYS A 36 -0.315 9.333 -1.395 1.00 74.21 C ATOM 571 SG CYS A 36 0.478 7.769 -0.900 1.00 63.51 S ATOM 0 H CYS A 36 -1.394 11.326 -2.304 1.00 44.53 H new ATOM 0 HA CYS A 36 -0.053 9.086 -3.496 1.00 32.33 H new ATOM 0 HB2 CYS A 36 0.409 10.139 -1.278 1.00 74.21 H new ATOM 0 HB3 CYS A 36 -1.134 9.538 -0.706 1.00 74.21 H new ATOM 576 N GLN A 37 -2.066 7.777 -4.130 1.00 52.40 N ATOM 577 CA GLN A 37 -3.205 7.034 -4.576 1.00 44.11 C ATOM 578 C GLN A 37 -3.134 5.555 -4.221 1.00 13.52 C ATOM 579 O GLN A 37 -2.097 4.901 -4.383 1.00 64.41 O ATOM 580 CB GLN A 37 -3.339 7.294 -6.063 1.00 62.34 C ATOM 581 CG GLN A 37 -4.466 6.606 -6.789 1.00 2.50 C ATOM 582 CD GLN A 37 -4.624 7.169 -8.190 1.00 71.24 C ATOM 583 OE1 GLN A 37 -5.001 6.476 -9.108 1.00 31.11 O ATOM 584 NE2 GLN A 37 -4.371 8.454 -8.343 1.00 24.21 N ATOM 0 H GLN A 37 -1.277 7.745 -4.776 1.00 52.40 H new ATOM 0 HA GLN A 37 -4.103 7.368 -4.056 1.00 44.11 H new ATOM 0 HB2 GLN A 37 -3.451 8.368 -6.208 1.00 62.34 H new ATOM 0 HB3 GLN A 37 -2.404 7.004 -6.541 1.00 62.34 H new ATOM 0 HG2 GLN A 37 -4.271 5.535 -6.842 1.00 2.50 H new ATOM 0 HG3 GLN A 37 -5.395 6.734 -6.233 1.00 2.50 H new ATOM 0 HE21 GLN A 37 -4.055 9.010 -7.548 1.00 24.21 H new ATOM 0 HE22 GLN A 37 -4.492 8.892 -9.256 1.00 24.21 H new ATOM 593 N ILE A 38 -4.253 5.043 -3.731 1.00 55.31 N ATOM 594 CA ILE A 38 -4.352 3.679 -3.275 1.00 72.42 C ATOM 595 C ILE A 38 -5.404 2.923 -4.096 1.00 41.13 C ATOM 596 O ILE A 38 -6.521 3.397 -4.268 1.00 43.12 O ATOM 597 CB ILE A 38 -4.754 3.643 -1.775 1.00 5.23 C ATOM 598 CG1 ILE A 38 -3.763 4.472 -0.936 1.00 54.52 C ATOM 599 CG2 ILE A 38 -4.813 2.206 -1.276 1.00 65.21 C ATOM 600 CD1 ILE A 38 -4.060 4.498 0.549 1.00 74.41 C ATOM 0 H ILE A 38 -5.120 5.572 -3.641 1.00 55.31 H new ATOM 0 HA ILE A 38 -3.380 3.202 -3.402 1.00 72.42 H new ATOM 0 HB ILE A 38 -5.746 4.083 -1.668 1.00 5.23 H new ATOM 0 HG12 ILE A 38 -2.759 4.074 -1.085 1.00 54.52 H new ATOM 0 HG13 ILE A 38 -3.759 5.496 -1.310 1.00 54.52 H new ATOM 0 HG21 ILE A 38 -5.096 2.198 -0.223 1.00 65.21 H new ATOM 0 HG22 ILE A 38 -5.551 1.650 -1.854 1.00 65.21 H new ATOM 0 HG23 ILE A 38 -3.835 1.740 -1.392 1.00 65.21 H new ATOM 0 HD11 ILE A 38 -3.312 5.104 1.059 1.00 74.41 H new ATOM 0 HD12 ILE A 38 -5.049 4.926 0.715 1.00 74.41 H new ATOM 0 HD13 ILE A 38 -4.034 3.482 0.943 1.00 74.41 H new ATOM 612 N VAL A 39 -5.032 1.773 -4.604 1.00 35.03 N ATOM 613 CA VAL A 39 -5.922 0.938 -5.394 1.00 51.44 C ATOM 614 C VAL A 39 -6.139 -0.398 -4.677 1.00 60.24 C ATOM 615 O VAL A 39 -5.185 -1.067 -4.317 1.00 50.41 O ATOM 616 CB VAL A 39 -5.332 0.666 -6.801 1.00 43.04 C ATOM 617 CG1 VAL A 39 -6.301 -0.133 -7.654 1.00 44.12 C ATOM 618 CG2 VAL A 39 -4.936 1.964 -7.496 1.00 45.13 C ATOM 0 H VAL A 39 -4.098 1.382 -4.483 1.00 35.03 H new ATOM 0 HA VAL A 39 -6.869 1.465 -5.509 1.00 51.44 H new ATOM 0 HB VAL A 39 -4.429 0.070 -6.670 1.00 43.04 H new ATOM 0 HG11 VAL A 39 -5.861 -0.309 -8.636 1.00 44.12 H new ATOM 0 HG12 VAL A 39 -6.508 -1.089 -7.172 1.00 44.12 H new ATOM 0 HG13 VAL A 39 -7.231 0.425 -7.768 1.00 44.12 H new ATOM 0 HG21 VAL A 39 -4.526 1.739 -8.480 1.00 45.13 H new ATOM 0 HG22 VAL A 39 -5.814 2.601 -7.606 1.00 45.13 H new ATOM 0 HG23 VAL A 39 -4.185 2.482 -6.899 1.00 45.13 H new ATOM 628 N ALA A 40 -7.361 -0.801 -4.509 1.00 53.34 N ATOM 629 CA ALA A 40 -7.672 -2.006 -3.769 1.00 22.01 C ATOM 630 C ALA A 40 -8.407 -3.014 -4.620 1.00 32.43 C ATOM 631 O ALA A 40 -9.182 -2.659 -5.480 1.00 30.32 O ATOM 632 CB ALA A 40 -8.497 -1.675 -2.549 1.00 64.31 C ATOM 0 H ALA A 40 -8.177 -0.311 -4.877 1.00 53.34 H new ATOM 0 HA ALA A 40 -6.725 -2.450 -3.461 1.00 22.01 H new ATOM 0 HB1 ALA A 40 -8.723 -2.591 -2.003 1.00 64.31 H new ATOM 0 HB2 ALA A 40 -7.938 -0.997 -1.904 1.00 64.31 H new ATOM 0 HB3 ALA A 40 -9.427 -1.198 -2.857 1.00 64.31 H new ATOM 638 N ARG A 41 -8.157 -4.265 -4.368 1.00 1.45 N ATOM 639 CA ARG A 41 -8.857 -5.335 -5.053 1.00 74.50 C ATOM 640 C ARG A 41 -9.994 -5.778 -4.203 1.00 32.20 C ATOM 641 O ARG A 41 -9.803 -6.026 -3.039 1.00 62.42 O ATOM 642 CB ARG A 41 -7.952 -6.547 -5.297 1.00 63.10 C ATOM 643 CG ARG A 41 -7.039 -6.476 -6.488 1.00 13.30 C ATOM 644 CD ARG A 41 -6.252 -7.757 -6.584 1.00 32.04 C ATOM 645 NE ARG A 41 -5.523 -7.872 -7.825 1.00 73.04 N ATOM 646 CZ ARG A 41 -4.505 -8.701 -8.037 1.00 1.32 C ATOM 647 NH1 ARG A 41 -3.976 -9.393 -7.036 1.00 74.13 N ATOM 648 NH2 ARG A 41 -4.014 -8.826 -9.249 1.00 63.30 N ATOM 0 H ARG A 41 -7.467 -4.582 -3.687 1.00 1.45 H new ATOM 0 HA ARG A 41 -9.193 -4.952 -6.017 1.00 74.50 H new ATOM 0 HB2 ARG A 41 -7.341 -6.700 -4.408 1.00 63.10 H new ATOM 0 HB3 ARG A 41 -8.584 -7.428 -5.405 1.00 63.10 H new ATOM 0 HG2 ARG A 41 -7.619 -6.322 -7.398 1.00 13.30 H new ATOM 0 HG3 ARG A 41 -6.363 -5.626 -6.393 1.00 13.30 H new ATOM 0 HD2 ARG A 41 -5.552 -7.812 -5.750 1.00 32.04 H new ATOM 0 HD3 ARG A 41 -6.931 -8.604 -6.487 1.00 32.04 H new ATOM 0 HE ARG A 41 -5.811 -7.272 -8.598 1.00 73.04 H new ATOM 0 HH11 ARG A 41 -4.350 -9.292 -6.092 1.00 74.13 H new ATOM 0 HH12 ARG A 41 -3.195 -10.026 -7.210 1.00 74.13 H new ATOM 0 HH21 ARG A 41 -4.413 -8.289 -10.019 1.00 63.30 H new ATOM 0 HH22 ARG A 41 -3.233 -9.460 -9.420 1.00 63.30 H new ATOM 662 N LEU A 42 -11.166 -5.865 -4.774 1.00 53.24 N ATOM 663 CA LEU A 42 -12.333 -6.325 -4.048 1.00 1.34 C ATOM 664 C LEU A 42 -12.217 -7.795 -3.761 1.00 63.13 C ATOM 665 O LEU A 42 -11.679 -8.547 -4.566 1.00 41.43 O ATOM 666 CB LEU A 42 -13.662 -6.001 -4.778 1.00 21.34 C ATOM 667 CG LEU A 42 -14.092 -4.515 -4.839 1.00 30.05 C ATOM 668 CD1 LEU A 42 -14.172 -3.894 -3.456 1.00 52.10 C ATOM 669 CD2 LEU A 42 -13.180 -3.714 -5.710 1.00 3.33 C ATOM 0 H LEU A 42 -11.344 -5.622 -5.749 1.00 53.24 H new ATOM 0 HA LEU A 42 -12.364 -5.779 -3.105 1.00 1.34 H new ATOM 0 HB2 LEU A 42 -13.585 -6.373 -5.800 1.00 21.34 H new ATOM 0 HB3 LEU A 42 -14.460 -6.564 -4.293 1.00 21.34 H new ATOM 0 HG LEU A 42 -15.090 -4.498 -5.278 1.00 30.05 H new ATOM 0 HD11 LEU A 42 -14.477 -2.851 -3.543 1.00 52.10 H new ATOM 0 HD12 LEU A 42 -14.902 -4.437 -2.855 1.00 52.10 H new ATOM 0 HD13 LEU A 42 -13.195 -3.948 -2.976 1.00 52.10 H new ATOM 0 HD21 LEU A 42 -13.513 -2.676 -5.729 1.00 3.33 H new ATOM 0 HD22 LEU A 42 -12.165 -3.762 -5.316 1.00 3.33 H new ATOM 0 HD23 LEU A 42 -13.196 -4.118 -6.722 1.00 3.33 H new ATOM 681 N LYS A 43 -12.684 -8.182 -2.603 1.00 62.24 N ATOM 682 CA LYS A 43 -12.621 -9.508 -2.107 1.00 22.24 C ATOM 683 C LYS A 43 -13.415 -10.454 -2.999 1.00 14.20 C ATOM 684 O LYS A 43 -14.385 -10.030 -3.640 1.00 74.54 O ATOM 685 CB LYS A 43 -13.135 -9.414 -0.725 1.00 4.55 C ATOM 686 CG LYS A 43 -12.883 -10.549 0.168 1.00 32.01 C ATOM 687 CD LYS A 43 -13.294 -10.094 1.517 1.00 23.35 C ATOM 688 CE LYS A 43 -13.178 -11.169 2.562 1.00 42.52 C ATOM 689 NZ LYS A 43 -14.068 -12.311 2.291 1.00 54.32 N ATOM 0 H LYS A 43 -13.140 -7.538 -1.956 1.00 62.24 H new ATOM 0 HA LYS A 43 -11.614 -9.925 -2.107 1.00 22.24 H new ATOM 0 HB2 LYS A 43 -12.706 -8.523 -0.266 1.00 4.55 H new ATOM 0 HB3 LYS A 43 -14.213 -9.259 -0.776 1.00 4.55 H new ATOM 0 HG2 LYS A 43 -13.454 -11.425 -0.141 1.00 32.01 H new ATOM 0 HG3 LYS A 43 -11.831 -10.833 0.154 1.00 32.01 H new ATOM 0 HD2 LYS A 43 -12.679 -9.243 1.810 1.00 23.35 H new ATOM 0 HD3 LYS A 43 -14.325 -9.744 1.477 1.00 23.35 H new ATOM 0 HE2 LYS A 43 -12.146 -11.518 2.608 1.00 42.52 H new ATOM 0 HE3 LYS A 43 -13.416 -10.750 3.539 1.00 42.52 H new ATOM 0 HZ1 LYS A 43 -14.094 -12.935 3.122 1.00 54.32 H new ATOM 0 HZ2 LYS A 43 -15.027 -11.963 2.089 1.00 54.32 H new ATOM 0 HZ3 LYS A 43 -13.712 -12.842 1.471 1.00 54.32 H new ATOM 745 N ARG A 47 -13.586 -7.199 -9.226 1.00 21.43 N ATOM 746 CA ARG A 47 -12.706 -6.198 -9.805 1.00 11.33 C ATOM 747 C ARG A 47 -11.850 -5.541 -8.757 1.00 62.30 C ATOM 748 O ARG A 47 -11.897 -5.892 -7.574 1.00 2.13 O ATOM 749 CB ARG A 47 -13.489 -5.111 -10.545 1.00 3.21 C ATOM 750 CG ARG A 47 -14.493 -4.361 -9.707 1.00 31.10 C ATOM 751 CD ARG A 47 -15.001 -3.145 -10.452 1.00 0.14 C ATOM 752 NE ARG A 47 -13.964 -2.084 -10.587 1.00 41.30 N ATOM 753 CZ ARG A 47 -14.229 -0.758 -10.726 1.00 31.24 C ATOM 754 NH1 ARG A 47 -15.482 -0.332 -10.887 1.00 33.23 N ATOM 755 NH2 ARG A 47 -13.240 0.131 -10.718 1.00 62.44 N ATOM 0 HA ARG A 47 -12.071 -6.729 -10.514 1.00 11.33 H new ATOM 0 HB2 ARG A 47 -12.781 -4.395 -10.962 1.00 3.21 H new ATOM 0 HB3 ARG A 47 -14.011 -5.569 -11.385 1.00 3.21 H new ATOM 0 HG2 ARG A 47 -15.327 -5.016 -9.455 1.00 31.10 H new ATOM 0 HG3 ARG A 47 -14.034 -4.054 -8.767 1.00 31.10 H new ATOM 0 HD2 ARG A 47 -15.340 -3.446 -11.443 1.00 0.14 H new ATOM 0 HD3 ARG A 47 -15.867 -2.738 -9.929 1.00 0.14 H new ATOM 0 HE ARG A 47 -12.986 -2.373 -10.574 1.00 41.30 H new ATOM 0 HH11 ARG A 47 -16.250 -1.003 -10.907 1.00 33.23 H new ATOM 0 HH12 ARG A 47 -15.672 0.665 -10.991 1.00 33.23 H new ATOM 0 HH21 ARG A 47 -12.275 -0.181 -10.607 1.00 62.44 H new ATOM 0 HH22 ARG A 47 -13.446 1.124 -10.823 1.00 62.44 H new ATOM 769 N GLN A 48 -11.058 -4.610 -9.182 1.00 40.12 N ATOM 770 CA GLN A 48 -10.340 -3.800 -8.273 1.00 0.33 C ATOM 771 C GLN A 48 -10.774 -2.388 -8.497 1.00 74.31 C ATOM 772 O GLN A 48 -11.197 -2.030 -9.615 1.00 74.22 O ATOM 773 CB GLN A 48 -8.818 -3.939 -8.407 1.00 72.12 C ATOM 774 CG GLN A 48 -8.229 -3.460 -9.711 1.00 62.31 C ATOM 775 CD GLN A 48 -6.717 -3.536 -9.715 1.00 24.31 C ATOM 776 OE1 GLN A 48 -6.052 -3.418 -8.657 1.00 13.04 O ATOM 777 NE2 GLN A 48 -6.155 -3.709 -10.874 1.00 23.24 N ATOM 0 H GLN A 48 -10.896 -4.396 -10.166 1.00 40.12 H new ATOM 0 HA GLN A 48 -10.563 -4.125 -7.257 1.00 0.33 H new ATOM 0 HB2 GLN A 48 -8.348 -3.387 -7.593 1.00 72.12 H new ATOM 0 HB3 GLN A 48 -8.554 -4.988 -8.274 1.00 72.12 H new ATOM 0 HG2 GLN A 48 -8.624 -4.062 -10.529 1.00 62.31 H new ATOM 0 HG3 GLN A 48 -8.540 -2.431 -9.893 1.00 62.31 H new ATOM 0 HE21 GLN A 48 -6.730 -3.801 -11.711 1.00 23.24 H new ATOM 0 HE22 GLN A 48 -5.139 -3.753 -10.946 1.00 23.24 H new ATOM 786 N VAL A 49 -10.723 -1.611 -7.480 1.00 54.41 N ATOM 787 CA VAL A 49 -11.116 -0.246 -7.552 1.00 75.15 C ATOM 788 C VAL A 49 -10.050 0.600 -6.979 1.00 34.52 C ATOM 789 O VAL A 49 -9.233 0.141 -6.184 1.00 50.43 O ATOM 790 CB VAL A 49 -12.478 0.070 -6.862 1.00 12.04 C ATOM 791 CG1 VAL A 49 -13.585 -0.751 -7.466 1.00 61.43 C ATOM 792 CG2 VAL A 49 -12.436 -0.085 -5.340 1.00 42.42 C ATOM 0 H VAL A 49 -10.403 -1.906 -6.558 1.00 54.41 H new ATOM 0 HA VAL A 49 -11.266 -0.025 -8.609 1.00 75.15 H new ATOM 0 HB VAL A 49 -12.683 1.124 -7.049 1.00 12.04 H new ATOM 0 HG11 VAL A 49 -14.526 -0.514 -6.969 1.00 61.43 H new ATOM 0 HG12 VAL A 49 -13.668 -0.524 -8.529 1.00 61.43 H new ATOM 0 HG13 VAL A 49 -13.364 -1.811 -7.338 1.00 61.43 H new ATOM 0 HG21 VAL A 49 -13.415 0.150 -4.923 1.00 42.42 H new ATOM 0 HG22 VAL A 49 -12.170 -1.111 -5.086 1.00 42.42 H new ATOM 0 HG23 VAL A 49 -11.693 0.596 -4.925 1.00 42.42 H new ATOM 802 N CYS A 50 -10.041 1.794 -7.349 1.00 24.50 N ATOM 803 CA CYS A 50 -9.086 2.699 -6.866 1.00 22.34 C ATOM 804 C CYS A 50 -9.801 3.466 -5.839 1.00 70.15 C ATOM 805 O CYS A 50 -10.943 3.748 -6.022 1.00 62.43 O ATOM 806 CB CYS A 50 -8.658 3.577 -8.001 1.00 42.42 C ATOM 807 SG CYS A 50 -8.149 2.603 -9.447 1.00 23.33 S ATOM 0 H CYS A 50 -10.707 2.193 -8.011 1.00 24.50 H new ATOM 0 HA CYS A 50 -8.191 2.229 -6.458 1.00 22.34 H new ATOM 0 HB2 CYS A 50 -9.478 4.239 -8.278 1.00 42.42 H new ATOM 0 HB3 CYS A 50 -7.831 4.211 -7.680 1.00 42.42 H new ATOM 812 N ILE A 51 -9.183 3.742 -4.743 1.00 52.33 N ATOM 813 CA ILE A 51 -9.889 4.335 -3.652 1.00 12.44 C ATOM 814 C ILE A 51 -9.420 5.745 -3.389 1.00 70.24 C ATOM 815 O ILE A 51 -8.267 6.090 -3.678 1.00 73.11 O ATOM 816 CB ILE A 51 -9.678 3.482 -2.374 1.00 22.32 C ATOM 817 CG1 ILE A 51 -10.032 2.031 -2.655 1.00 43.31 C ATOM 818 CG2 ILE A 51 -10.527 3.994 -1.223 1.00 53.02 C ATOM 819 CD1 ILE A 51 -9.894 1.154 -1.455 1.00 1.41 C ATOM 0 H ILE A 51 -8.192 3.568 -4.575 1.00 52.33 H new ATOM 0 HA ILE A 51 -10.946 4.370 -3.915 1.00 12.44 H new ATOM 0 HB ILE A 51 -8.628 3.559 -2.090 1.00 22.32 H new ATOM 0 HG12 ILE A 51 -11.057 1.977 -3.021 1.00 43.31 H new ATOM 0 HG13 ILE A 51 -9.389 1.653 -3.450 1.00 43.31 H new ATOM 0 HG21 ILE A 51 -10.357 3.375 -0.342 1.00 53.02 H new ATOM 0 HG22 ILE A 51 -10.254 5.026 -1.000 1.00 53.02 H new ATOM 0 HG23 ILE A 51 -11.580 3.949 -1.500 1.00 53.02 H new ATOM 0 HD11 ILE A 51 -10.161 0.131 -1.720 1.00 1.41 H new ATOM 0 HD12 ILE A 51 -8.863 1.181 -1.102 1.00 1.41 H new ATOM 0 HD13 ILE A 51 -10.557 1.509 -0.666 1.00 1.41 H new ATOM 831 N ASP A 52 -10.338 6.554 -2.892 1.00 44.31 N ATOM 832 CA ASP A 52 -10.044 7.867 -2.401 1.00 30.23 C ATOM 833 C ASP A 52 -9.223 7.664 -1.128 1.00 31.23 C ATOM 834 O ASP A 52 -9.737 7.162 -0.121 1.00 10.50 O ATOM 835 CB ASP A 52 -11.364 8.614 -2.082 1.00 73.34 C ATOM 836 CG ASP A 52 -11.162 10.035 -1.594 1.00 23.52 C ATOM 837 OD1 ASP A 52 -10.750 10.208 -0.447 1.00 5.45 O ATOM 838 OD2 ASP A 52 -11.443 11.000 -2.362 1.00 52.14 O ATOM 0 H ASP A 52 -11.324 6.302 -2.822 1.00 44.31 H new ATOM 0 HA ASP A 52 -9.498 8.463 -3.132 1.00 30.23 H new ATOM 0 HB2 ASP A 52 -11.985 8.632 -2.977 1.00 73.34 H new ATOM 0 HB3 ASP A 52 -11.913 8.055 -1.325 1.00 73.34 H new ATOM 843 N PRO A 53 -7.933 8.013 -1.153 1.00 21.25 N ATOM 844 CA PRO A 53 -7.014 7.742 -0.031 1.00 24.35 C ATOM 845 C PRO A 53 -7.271 8.630 1.183 1.00 72.32 C ATOM 846 O PRO A 53 -6.540 8.590 2.177 1.00 44.50 O ATOM 847 CB PRO A 53 -5.638 8.034 -0.629 1.00 51.34 C ATOM 848 CG PRO A 53 -5.891 9.007 -1.740 1.00 74.35 C ATOM 849 CD PRO A 53 -7.260 8.699 -2.272 1.00 73.42 C ATOM 0 HA PRO A 53 -7.130 6.726 0.347 1.00 24.35 H new ATOM 0 HB2 PRO A 53 -4.965 8.455 0.118 1.00 51.34 H new ATOM 0 HB3 PRO A 53 -5.169 7.123 -1.002 1.00 51.34 H new ATOM 0 HG2 PRO A 53 -5.838 10.033 -1.377 1.00 74.35 H new ATOM 0 HG3 PRO A 53 -5.139 8.907 -2.523 1.00 74.35 H new ATOM 0 HD2 PRO A 53 -7.790 9.607 -2.560 1.00 73.42 H new ATOM 0 HD3 PRO A 53 -7.211 8.065 -3.157 1.00 73.42 H new ATOM 857 N LYS A 54 -8.313 9.398 1.107 1.00 1.53 N ATOM 858 CA LYS A 54 -8.646 10.338 2.113 1.00 72.23 C ATOM 859 C LYS A 54 -9.818 9.824 2.969 1.00 13.25 C ATOM 860 O LYS A 54 -10.186 10.445 3.971 1.00 42.52 O ATOM 861 CB LYS A 54 -8.978 11.645 1.422 1.00 23.35 C ATOM 862 CG LYS A 54 -7.814 12.204 0.586 1.00 14.14 C ATOM 863 CD LYS A 54 -8.246 13.353 -0.323 1.00 1.01 C ATOM 864 CE LYS A 54 -9.229 12.877 -1.376 1.00 15.43 C ATOM 865 NZ LYS A 54 -9.694 13.964 -2.247 1.00 31.30 N ATOM 0 H LYS A 54 -8.966 9.383 0.323 1.00 1.53 H new ATOM 0 HA LYS A 54 -7.811 10.489 2.797 1.00 72.23 H new ATOM 0 HB2 LYS A 54 -9.842 11.496 0.775 1.00 23.35 H new ATOM 0 HB3 LYS A 54 -9.264 12.382 2.172 1.00 23.35 H new ATOM 0 HG2 LYS A 54 -7.025 12.550 1.253 1.00 14.14 H new ATOM 0 HG3 LYS A 54 -7.390 11.404 -0.021 1.00 14.14 H new ATOM 0 HD2 LYS A 54 -8.703 14.142 0.275 1.00 1.01 H new ATOM 0 HD3 LYS A 54 -7.371 13.786 -0.807 1.00 1.01 H new ATOM 0 HE2 LYS A 54 -8.758 12.105 -1.985 1.00 15.43 H new ATOM 0 HE3 LYS A 54 -10.087 12.417 -0.885 1.00 15.43 H new ATOM 0 HZ1 LYS A 54 -9.690 13.642 -3.236 1.00 31.30 H new ATOM 0 HZ2 LYS A 54 -10.660 14.237 -1.976 1.00 31.30 H new ATOM 0 HZ3 LYS A 54 -9.062 14.784 -2.147 1.00 31.30 H new ATOM 879 N LEU A 55 -10.401 8.680 2.565 1.00 30.31 N ATOM 880 CA LEU A 55 -11.472 8.039 3.317 1.00 40.31 C ATOM 881 C LEU A 55 -11.053 7.729 4.742 1.00 43.34 C ATOM 882 O LEU A 55 -9.944 7.273 4.974 1.00 32.42 O ATOM 883 CB LEU A 55 -11.901 6.755 2.628 1.00 33.11 C ATOM 884 CG LEU A 55 -12.646 6.902 1.315 1.00 45.14 C ATOM 885 CD1 LEU A 55 -12.946 5.540 0.729 1.00 22.23 C ATOM 886 CD2 LEU A 55 -13.935 7.642 1.545 1.00 32.53 C ATOM 0 H LEU A 55 -10.138 8.185 1.713 1.00 30.31 H new ATOM 0 HA LEU A 55 -12.308 8.738 3.352 1.00 40.31 H new ATOM 0 HB2 LEU A 55 -11.011 6.152 2.448 1.00 33.11 H new ATOM 0 HB3 LEU A 55 -12.533 6.194 3.317 1.00 33.11 H new ATOM 0 HG LEU A 55 -12.022 7.461 0.617 1.00 45.14 H new ATOM 0 HD11 LEU A 55 -13.481 5.659 -0.213 1.00 22.23 H new ATOM 0 HD12 LEU A 55 -12.012 5.007 0.551 1.00 22.23 H new ATOM 0 HD13 LEU A 55 -13.561 4.971 1.426 1.00 22.23 H new ATOM 0 HD21 LEU A 55 -14.468 7.746 0.600 1.00 32.53 H new ATOM 0 HD22 LEU A 55 -14.553 7.086 2.251 1.00 32.53 H new ATOM 0 HD23 LEU A 55 -13.720 8.630 1.951 1.00 32.53 H new ATOM 898 N LYS A 56 -11.971 7.938 5.681 1.00 14.12 N ATOM 899 CA LYS A 56 -11.723 7.739 7.114 1.00 1.34 C ATOM 900 C LYS A 56 -11.232 6.326 7.429 1.00 74.55 C ATOM 901 O LYS A 56 -10.306 6.159 8.212 1.00 40.44 O ATOM 902 CB LYS A 56 -12.981 8.108 7.933 1.00 1.12 C ATOM 903 CG LYS A 56 -12.925 7.808 9.437 1.00 40.21 C ATOM 904 CD LYS A 56 -11.770 8.500 10.142 1.00 55.32 C ATOM 905 CE LYS A 56 -11.842 8.259 11.642 1.00 21.43 C ATOM 906 NZ LYS A 56 -10.682 8.819 12.359 1.00 44.23 N ATOM 0 H LYS A 56 -12.918 8.253 5.472 1.00 14.12 H new ATOM 0 HA LYS A 56 -10.916 8.410 7.407 1.00 1.34 H new ATOM 0 HB2 LYS A 56 -13.173 9.173 7.803 1.00 1.12 H new ATOM 0 HB3 LYS A 56 -13.833 7.576 7.510 1.00 1.12 H new ATOM 0 HG2 LYS A 56 -13.862 8.119 9.898 1.00 40.21 H new ATOM 0 HG3 LYS A 56 -12.839 6.731 9.583 1.00 40.21 H new ATOM 0 HD2 LYS A 56 -10.823 8.127 9.753 1.00 55.32 H new ATOM 0 HD3 LYS A 56 -11.800 9.570 9.938 1.00 55.32 H new ATOM 0 HE2 LYS A 56 -12.757 8.703 12.035 1.00 21.43 H new ATOM 0 HE3 LYS A 56 -11.900 7.187 11.832 1.00 21.43 H new ATOM 0 HZ1 LYS A 56 -10.902 8.891 13.373 1.00 44.23 H new ATOM 0 HZ2 LYS A 56 -9.859 8.197 12.226 1.00 44.23 H new ATOM 0 HZ3 LYS A 56 -10.466 9.765 11.984 1.00 44.23 H new ATOM 920 N TRP A 57 -11.817 5.319 6.803 1.00 12.54 N ATOM 921 CA TRP A 57 -11.376 3.956 7.055 1.00 60.31 C ATOM 922 C TRP A 57 -9.962 3.713 6.498 1.00 41.31 C ATOM 923 O TRP A 57 -9.221 2.867 7.008 1.00 34.03 O ATOM 924 CB TRP A 57 -12.391 2.893 6.594 1.00 54.31 C ATOM 925 CG TRP A 57 -12.658 2.820 5.119 1.00 41.44 C ATOM 926 CD1 TRP A 57 -13.568 3.541 4.405 1.00 61.23 C ATOM 927 CD2 TRP A 57 -12.030 1.935 4.188 1.00 33.22 C ATOM 928 NE1 TRP A 57 -13.531 3.160 3.087 1.00 65.31 N ATOM 929 CE2 TRP A 57 -12.595 2.177 2.933 1.00 44.12 C ATOM 930 CE3 TRP A 57 -11.036 0.965 4.304 1.00 73.55 C ATOM 931 CZ2 TRP A 57 -12.205 1.481 1.799 1.00 11.50 C ATOM 932 CZ3 TRP A 57 -10.651 0.273 3.180 1.00 24.52 C ATOM 933 CH2 TRP A 57 -11.234 0.531 1.945 1.00 20.54 C ATOM 0 H TRP A 57 -12.580 5.413 6.132 1.00 12.54 H new ATOM 0 HA TRP A 57 -11.320 3.840 8.137 1.00 60.31 H new ATOM 0 HB2 TRP A 57 -12.038 1.917 6.926 1.00 54.31 H new ATOM 0 HB3 TRP A 57 -13.336 3.080 7.103 1.00 54.31 H new ATOM 0 HD1 TRP A 57 -14.220 4.298 4.815 1.00 61.23 H new ATOM 0 HE1 TRP A 57 -14.109 3.548 2.342 1.00 65.31 H new ATOM 0 HE3 TRP A 57 -10.576 0.761 5.260 1.00 73.55 H new ATOM 0 HZ2 TRP A 57 -12.652 1.682 0.837 1.00 11.50 H new ATOM 0 HZ3 TRP A 57 -9.884 -0.483 3.258 1.00 24.52 H new ATOM 0 HH2 TRP A 57 -10.912 -0.032 1.081 1.00 20.54 H new ATOM 944 N ILE A 58 -9.601 4.470 5.459 1.00 21.11 N ATOM 945 CA ILE A 58 -8.251 4.434 4.902 1.00 22.44 C ATOM 946 C ILE A 58 -7.312 5.164 5.856 1.00 0.13 C ATOM 947 O ILE A 58 -6.221 4.675 6.159 1.00 13.23 O ATOM 948 CB ILE A 58 -8.176 5.093 3.484 1.00 25.04 C ATOM 949 CG1 ILE A 58 -8.997 4.302 2.450 1.00 50.11 C ATOM 950 CG2 ILE A 58 -6.730 5.243 3.016 1.00 53.24 C ATOM 951 CD1 ILE A 58 -8.506 2.890 2.220 1.00 24.15 C ATOM 0 H ILE A 58 -10.231 5.118 4.986 1.00 21.11 H new ATOM 0 HA ILE A 58 -7.957 3.391 4.788 1.00 22.44 H new ATOM 0 HB ILE A 58 -8.611 6.089 3.570 1.00 25.04 H new ATOM 0 HG12 ILE A 58 -10.036 4.265 2.778 1.00 50.11 H new ATOM 0 HG13 ILE A 58 -8.981 4.839 1.502 1.00 50.11 H new ATOM 0 HG21 ILE A 58 -6.713 5.704 2.028 1.00 53.24 H new ATOM 0 HG22 ILE A 58 -6.183 5.872 3.719 1.00 53.24 H new ATOM 0 HG23 ILE A 58 -6.260 4.261 2.966 1.00 53.24 H new ATOM 0 HD11 ILE A 58 -9.138 2.401 1.478 1.00 24.15 H new ATOM 0 HD12 ILE A 58 -7.478 2.917 1.860 1.00 24.15 H new ATOM 0 HD13 ILE A 58 -8.548 2.333 3.156 1.00 24.15 H new ATOM 963 N GLN A 59 -7.769 6.332 6.337 1.00 71.13 N ATOM 964 CA GLN A 59 -7.033 7.144 7.313 1.00 61.32 C ATOM 965 C GLN A 59 -6.647 6.264 8.510 1.00 42.10 C ATOM 966 O GLN A 59 -5.484 6.203 8.905 1.00 1.22 O ATOM 967 CB GLN A 59 -7.914 8.311 7.807 1.00 21.53 C ATOM 968 CG GLN A 59 -8.414 9.275 6.726 1.00 50.55 C ATOM 969 CD GLN A 59 -7.328 10.109 6.091 1.00 45.12 C ATOM 970 OE1 GLN A 59 -7.033 11.204 6.557 1.00 24.40 O ATOM 971 NE2 GLN A 59 -6.739 9.621 5.028 1.00 60.23 N ATOM 0 H GLN A 59 -8.662 6.738 6.058 1.00 71.13 H new ATOM 0 HA GLN A 59 -6.138 7.548 6.839 1.00 61.32 H new ATOM 0 HB2 GLN A 59 -8.779 7.895 8.324 1.00 21.53 H new ATOM 0 HB3 GLN A 59 -7.348 8.882 8.543 1.00 21.53 H new ATOM 0 HG2 GLN A 59 -8.918 8.701 5.948 1.00 50.55 H new ATOM 0 HG3 GLN A 59 -9.158 9.940 7.164 1.00 50.55 H new ATOM 0 HE21 GLN A 59 -7.011 8.706 4.669 1.00 60.23 H new ATOM 0 HE22 GLN A 59 -6.008 10.156 4.559 1.00 60.23 H new ATOM 980 N GLU A 60 -7.643 5.554 9.047 1.00 15.13 N ATOM 981 CA GLU A 60 -7.445 4.636 10.146 1.00 73.33 C ATOM 982 C GLU A 60 -6.442 3.563 9.775 1.00 61.01 C ATOM 983 O GLU A 60 -5.472 3.336 10.502 1.00 11.32 O ATOM 984 CB GLU A 60 -8.764 3.960 10.512 1.00 41.15 C ATOM 985 CG GLU A 60 -9.852 4.892 10.995 1.00 3.23 C ATOM 986 CD GLU A 60 -9.473 5.613 12.251 1.00 44.04 C ATOM 987 OE1 GLU A 60 -9.703 5.080 13.352 1.00 52.30 O ATOM 988 OE2 GLU A 60 -8.952 6.728 12.164 1.00 4.31 O ATOM 0 H GLU A 60 -8.609 5.608 8.723 1.00 15.13 H new ATOM 0 HA GLU A 60 -7.069 5.208 10.994 1.00 73.33 H new ATOM 0 HB2 GLU A 60 -9.131 3.420 9.640 1.00 41.15 H new ATOM 0 HB3 GLU A 60 -8.571 3.219 11.288 1.00 41.15 H new ATOM 0 HG2 GLU A 60 -10.075 5.620 10.215 1.00 3.23 H new ATOM 0 HG3 GLU A 60 -10.764 4.321 11.169 1.00 3.23 H new ATOM 995 N TYR A 61 -6.677 2.928 8.623 1.00 51.14 N ATOM 996 CA TYR A 61 -5.880 1.803 8.140 1.00 54.53 C ATOM 997 C TYR A 61 -4.401 2.171 8.072 1.00 53.31 C ATOM 998 O TYR A 61 -3.556 1.451 8.609 1.00 12.44 O ATOM 999 CB TYR A 61 -6.391 1.357 6.754 1.00 70.41 C ATOM 1000 CG TYR A 61 -5.827 0.039 6.243 1.00 33.35 C ATOM 1001 CD1 TYR A 61 -4.664 -0.013 5.480 1.00 61.42 C ATOM 1002 CD2 TYR A 61 -6.482 -1.157 6.512 1.00 42.40 C ATOM 1003 CE1 TYR A 61 -4.174 -1.220 5.009 1.00 41.34 C ATOM 1004 CE2 TYR A 61 -6.001 -2.364 6.043 1.00 61.51 C ATOM 1005 CZ TYR A 61 -4.849 -2.391 5.294 1.00 52.44 C ATOM 1006 OH TYR A 61 -4.370 -3.592 4.821 1.00 65.53 O ATOM 0 H TYR A 61 -7.437 3.186 7.993 1.00 51.14 H new ATOM 0 HA TYR A 61 -5.986 0.975 8.841 1.00 54.53 H new ATOM 0 HB2 TYR A 61 -7.477 1.276 6.795 1.00 70.41 H new ATOM 0 HB3 TYR A 61 -6.156 2.138 6.031 1.00 70.41 H new ATOM 0 HD1 TYR A 61 -4.136 0.901 5.252 1.00 61.42 H new ATOM 0 HD2 TYR A 61 -7.387 -1.142 7.101 1.00 42.40 H new ATOM 0 HE1 TYR A 61 -3.268 -1.245 4.421 1.00 41.34 H new ATOM 0 HE2 TYR A 61 -6.527 -3.281 6.264 1.00 61.51 H new ATOM 0 HH TYR A 61 -4.961 -4.317 5.112 1.00 65.53 H new ATOM 1016 N LEU A 62 -4.098 3.300 7.450 1.00 61.11 N ATOM 1017 CA LEU A 62 -2.717 3.742 7.299 1.00 3.15 C ATOM 1018 C LEU A 62 -2.110 4.055 8.651 1.00 0.51 C ATOM 1019 O LEU A 62 -1.040 3.545 8.988 1.00 43.45 O ATOM 1020 CB LEU A 62 -2.636 4.965 6.392 1.00 43.11 C ATOM 1021 CG LEU A 62 -3.195 4.799 4.980 1.00 21.55 C ATOM 1022 CD1 LEU A 62 -3.060 6.091 4.190 1.00 54.34 C ATOM 1023 CD2 LEU A 62 -2.520 3.645 4.250 1.00 74.11 C ATOM 0 H LEU A 62 -4.789 3.929 7.041 1.00 61.11 H new ATOM 0 HA LEU A 62 -2.151 2.932 6.838 1.00 3.15 H new ATOM 0 HB2 LEU A 62 -3.166 5.785 6.876 1.00 43.11 H new ATOM 0 HB3 LEU A 62 -1.591 5.264 6.313 1.00 43.11 H new ATOM 0 HG LEU A 62 -4.255 4.562 5.068 1.00 21.55 H new ATOM 0 HD11 LEU A 62 -3.465 5.949 3.188 1.00 54.34 H new ATOM 0 HD12 LEU A 62 -3.611 6.885 4.694 1.00 54.34 H new ATOM 0 HD13 LEU A 62 -2.008 6.367 4.121 1.00 54.34 H new ATOM 0 HD21 LEU A 62 -2.940 3.553 3.248 1.00 74.11 H new ATOM 0 HD22 LEU A 62 -1.449 3.836 4.179 1.00 74.11 H new ATOM 0 HD23 LEU A 62 -2.687 2.719 4.800 1.00 74.11 H new ATOM 1035 N GLU A 63 -2.813 4.873 9.440 1.00 11.11 N ATOM 1036 CA GLU A 63 -2.352 5.210 10.792 1.00 3.02 C ATOM 1037 C GLU A 63 -2.089 3.974 11.681 1.00 53.01 C ATOM 1038 O GLU A 63 -1.147 3.972 12.471 1.00 3.32 O ATOM 1039 CB GLU A 63 -3.305 6.171 11.512 1.00 51.54 C ATOM 1040 CG GLU A 63 -3.358 7.579 10.946 1.00 1.30 C ATOM 1041 CD GLU A 63 -4.214 8.491 11.795 1.00 24.52 C ATOM 1042 OE1 GLU A 63 -3.693 9.079 12.768 1.00 15.11 O ATOM 1043 OE2 GLU A 63 -5.415 8.615 11.537 1.00 74.15 O ATOM 0 H GLU A 63 -3.694 5.310 9.171 1.00 11.11 H new ATOM 0 HA GLU A 63 -1.397 5.712 10.638 1.00 3.02 H new ATOM 0 HB2 GLU A 63 -4.309 5.748 11.485 1.00 51.54 H new ATOM 0 HB3 GLU A 63 -3.012 6.229 12.560 1.00 51.54 H new ATOM 0 HG2 GLU A 63 -2.348 7.984 10.882 1.00 1.30 H new ATOM 0 HG3 GLU A 63 -3.754 7.549 9.931 1.00 1.30 H new ATOM 1050 N LYS A 64 -2.904 2.938 11.560 1.00 10.40 N ATOM 1051 CA LYS A 64 -2.736 1.772 12.416 1.00 3.52 C ATOM 1052 C LYS A 64 -1.705 0.781 11.895 1.00 74.13 C ATOM 1053 O LYS A 64 -1.043 0.095 12.674 1.00 74.03 O ATOM 1054 CB LYS A 64 -4.096 1.115 12.758 1.00 44.15 C ATOM 1055 CG LYS A 64 -4.945 0.547 11.594 1.00 24.22 C ATOM 1056 CD LYS A 64 -4.417 -0.754 10.995 1.00 4.32 C ATOM 1057 CE LYS A 64 -4.327 -1.846 12.041 1.00 73.24 C ATOM 1058 NZ LYS A 64 -5.631 -2.125 12.693 1.00 5.31 N ATOM 0 H LYS A 64 -3.673 2.878 10.893 1.00 10.40 H new ATOM 0 HA LYS A 64 -2.318 2.135 13.355 1.00 3.52 H new ATOM 0 HB2 LYS A 64 -3.907 0.303 13.460 1.00 44.15 H new ATOM 0 HB3 LYS A 64 -4.701 1.855 13.282 1.00 44.15 H new ATOM 0 HG2 LYS A 64 -5.961 0.380 11.951 1.00 24.22 H new ATOM 0 HG3 LYS A 64 -5.003 1.297 10.805 1.00 24.22 H new ATOM 0 HD2 LYS A 64 -5.072 -1.076 10.186 1.00 4.32 H new ATOM 0 HD3 LYS A 64 -3.433 -0.583 10.559 1.00 4.32 H new ATOM 0 HE2 LYS A 64 -3.956 -2.759 11.576 1.00 73.24 H new ATOM 0 HE3 LYS A 64 -3.600 -1.557 12.800 1.00 73.24 H new ATOM 0 HZ1 LYS A 64 -5.548 -2.976 13.285 1.00 5.31 H new ATOM 0 HZ2 LYS A 64 -5.903 -1.315 13.287 1.00 5.31 H new ATOM 0 HZ3 LYS A 64 -6.357 -2.279 11.965 1.00 5.31 H new ATOM 1072 N CYS A 65 -1.569 0.715 10.592 1.00 24.44 N ATOM 1073 CA CYS A 65 -0.608 -0.196 9.947 1.00 40.04 C ATOM 1074 C CYS A 65 0.820 0.337 10.115 1.00 74.34 C ATOM 1075 O CYS A 65 1.791 -0.409 10.005 1.00 33.31 O ATOM 1076 CB CYS A 65 -0.957 -0.362 8.452 1.00 50.34 C ATOM 1077 SG CYS A 65 0.048 -1.585 7.544 1.00 65.14 S ATOM 0 H CYS A 65 -2.110 1.281 9.938 1.00 24.44 H new ATOM 0 HA CYS A 65 -0.668 -1.173 10.426 1.00 40.04 H new ATOM 0 HB2 CYS A 65 -2.006 -0.647 8.371 1.00 50.34 H new ATOM 0 HB3 CYS A 65 -0.851 0.606 7.962 1.00 50.34 H new ATOM 1082 N LEU A 66 0.904 1.635 10.427 1.00 4.02 N ATOM 1083 CA LEU A 66 2.141 2.367 10.630 1.00 50.00 C ATOM 1084 C LEU A 66 3.042 1.613 11.636 1.00 64.11 C ATOM 1085 O LEU A 66 4.246 1.438 11.408 1.00 24.43 O ATOM 1086 CB LEU A 66 1.746 3.785 11.148 1.00 25.31 C ATOM 1087 CG LEU A 66 2.802 4.914 11.188 1.00 61.43 C ATOM 1088 CD1 LEU A 66 3.927 4.627 12.121 1.00 42.02 C ATOM 1089 CD2 LEU A 66 3.328 5.202 9.812 1.00 21.32 C ATOM 0 H LEU A 66 0.076 2.219 10.548 1.00 4.02 H new ATOM 0 HA LEU A 66 2.714 2.458 9.707 1.00 50.00 H new ATOM 0 HB2 LEU A 66 0.918 4.137 10.532 1.00 25.31 H new ATOM 0 HB3 LEU A 66 1.361 3.665 12.161 1.00 25.31 H new ATOM 0 HG LEU A 66 2.291 5.798 11.570 1.00 61.43 H new ATOM 0 HD11 LEU A 66 4.634 5.456 12.104 1.00 42.02 H new ATOM 0 HD12 LEU A 66 3.539 4.502 13.132 1.00 42.02 H new ATOM 0 HD13 LEU A 66 4.433 3.713 11.811 1.00 42.02 H new ATOM 0 HD21 LEU A 66 4.069 5.999 9.865 1.00 21.32 H new ATOM 0 HD22 LEU A 66 3.791 4.303 9.404 1.00 21.32 H new ATOM 0 HD23 LEU A 66 2.507 5.513 9.166 1.00 21.32 H new ATOM 1101 N ASN A 67 2.454 1.162 12.736 1.00 31.42 N ATOM 1102 CA ASN A 67 3.203 0.410 13.732 1.00 72.42 C ATOM 1103 C ASN A 67 2.537 -0.882 14.071 1.00 51.34 C ATOM 1104 O ASN A 67 1.619 -0.927 14.902 1.00 14.32 O ATOM 1105 CB ASN A 67 3.473 1.192 15.024 1.00 2.21 C ATOM 1106 CG ASN A 67 4.438 2.362 14.865 1.00 44.11 C ATOM 1107 OD1 ASN A 67 5.366 2.245 13.948 1.00 34.23 O flip ATOM 1108 ND2 ASN A 67 4.346 3.364 15.576 1.00 64.52 N flip ATOM 0 H ASN A 67 1.469 1.302 12.960 1.00 31.42 H new ATOM 0 HA ASN A 67 4.165 0.213 13.260 1.00 72.42 H new ATOM 0 HB2 ASN A 67 2.526 1.569 15.410 1.00 2.21 H new ATOM 0 HB3 ASN A 67 3.873 0.507 15.772 1.00 2.21 H new ATOM 0 HD21 ASN A 67 3.611 3.423 16.281 1.00 64.52 H new ATOM 0 HD22 ASN A 67 5.004 4.134 15.460 1.00 64.52 H new ATOM 1404 N GLY B 119 -15.656 5.953 -13.181 1.00 2.25 N ATOM 1405 CA GLY B 119 -16.451 6.984 -12.566 1.00 15.32 C ATOM 1406 C GLY B 119 -16.645 6.574 -11.184 1.00 21.24 C ATOM 1407 O GLY B 119 -16.556 7.379 -10.256 1.00 72.31 O ATOM 0 HA2 GLY B 119 -15.947 7.949 -12.619 1.00 15.32 H new ATOM 0 HA3 GLY B 119 -17.407 7.096 -13.077 1.00 15.32 H new ATOM 1411 N ASP B 120 -16.924 5.289 -11.062 1.00 22.22 N ATOM 1412 CA ASP B 120 -16.882 4.564 -9.820 1.00 11.42 C ATOM 1413 C ASP B 120 -17.868 5.104 -8.772 1.00 21.44 C ATOM 1414 O ASP B 120 -18.730 5.950 -9.081 1.00 60.12 O ATOM 1415 CB ASP B 120 -15.414 4.529 -9.337 1.00 35.15 C ATOM 1416 CG ASP B 120 -14.484 3.840 -10.376 1.00 3.31 C ATOM 1417 OD1 ASP B 120 -14.040 4.513 -11.360 1.00 40.34 O ATOM 1418 OD2 ASP B 120 -14.195 2.627 -10.236 1.00 34.25 O ATOM 0 H ASP B 120 -17.194 4.708 -11.856 1.00 22.22 H new ATOM 0 HA ASP B 120 -17.224 3.542 -9.981 1.00 11.42 H new ATOM 0 HB2 ASP B 120 -15.066 5.546 -9.155 1.00 35.15 H new ATOM 0 HB3 ASP B 120 -15.356 3.997 -8.387 1.00 35.15 H new ATOM 1447 N ASP B 122 -19.099 7.353 -6.509 1.00 33.35 N ATOM 1448 CA ASP B 122 -18.930 8.792 -6.200 1.00 50.05 C ATOM 1449 C ASP B 122 -17.621 9.345 -6.684 1.00 52.23 C ATOM 1450 O ASP B 122 -17.595 10.218 -7.547 1.00 73.40 O ATOM 1451 CB ASP B 122 -19.144 9.138 -4.742 1.00 64.24 C ATOM 1452 CG ASP B 122 -20.579 9.097 -4.320 1.00 70.54 C ATOM 1453 OD1 ASP B 122 -21.267 10.127 -4.439 1.00 73.44 O ATOM 1454 OD2 ASP B 122 -21.041 8.064 -3.843 1.00 2.03 O ATOM 0 HA ASP B 122 -19.729 9.277 -6.760 1.00 50.05 H new ATOM 0 HB2 ASP B 122 -18.573 8.444 -4.125 1.00 64.24 H new ATOM 0 HB3 ASP B 122 -18.747 10.135 -4.552 1.00 64.24 H new ATOM 1459 N SER B 123 -16.553 8.853 -6.100 1.00 55.10 N ATOM 1460 CA SER B 123 -15.197 9.176 -6.472 1.00 24.20 C ATOM 1461 C SER B 123 -14.730 10.557 -5.962 1.00 4.21 C ATOM 1462 O SER B 123 -13.747 11.099 -6.461 1.00 72.30 O ATOM 1463 CB SER B 123 -14.988 8.989 -8.014 1.00 34.53 C ATOM 1464 OG SER B 123 -13.656 9.294 -8.430 1.00 32.32 O ATOM 0 H SER B 123 -16.608 8.193 -5.324 1.00 55.10 H new ATOM 0 HA SER B 123 -14.547 8.465 -5.962 1.00 24.20 H new ATOM 0 HB2 SER B 123 -15.223 7.960 -8.286 1.00 34.53 H new ATOM 0 HB3 SER B 123 -15.688 9.629 -8.552 1.00 34.53 H new ATOM 0 HG SER B 123 -13.289 10.001 -7.859 1.00 32.32 H new ATOM 1470 N MET B 124 -15.386 11.092 -4.928 1.00 42.31 N ATOM 1471 CA MET B 124 -15.035 12.433 -4.411 1.00 43.53 C ATOM 1472 C MET B 124 -15.214 12.549 -2.880 1.00 22.23 C ATOM 1473 O MET B 124 -16.347 12.616 -2.390 1.00 21.04 O ATOM 1474 CB MET B 124 -15.897 13.517 -5.098 1.00 73.24 C ATOM 1475 CG MET B 124 -15.683 13.737 -6.605 1.00 34.41 C ATOM 1476 SD MET B 124 -14.302 14.851 -7.047 1.00 41.14 S ATOM 1477 CE MET B 124 -12.850 14.038 -6.373 1.00 22.44 C ATOM 0 H MET B 124 -16.151 10.632 -4.434 1.00 42.31 H new ATOM 0 HA MET B 124 -13.980 12.584 -4.639 1.00 43.53 H new ATOM 0 HB2 MET B 124 -16.946 13.265 -4.939 1.00 73.24 H new ATOM 0 HB3 MET B 124 -15.716 14.464 -4.590 1.00 73.24 H new ATOM 0 HG2 MET B 124 -15.511 12.769 -7.075 1.00 34.41 H new ATOM 0 HG3 MET B 124 -16.602 14.139 -7.030 1.00 34.41 H new ATOM 0 HE1 MET B 124 -11.957 14.599 -6.650 1.00 22.44 H new ATOM 0 HE2 MET B 124 -12.928 13.995 -5.287 1.00 22.44 H new ATOM 0 HE3 MET B 124 -12.781 13.026 -6.772 1.00 22.44 H new ATOM 1487 N LYS B 125 -14.106 12.537 -2.136 1.00 22.54 N ATOM 1488 CA LYS B 125 -14.109 12.761 -0.674 1.00 43.43 C ATOM 1489 C LYS B 125 -12.921 13.627 -0.233 1.00 61.20 C ATOM 1490 O LYS B 125 -12.198 14.176 -1.068 1.00 53.30 O ATOM 1491 CB LYS B 125 -14.120 11.432 0.107 1.00 30.14 C ATOM 1492 CG LYS B 125 -15.479 10.766 0.215 1.00 21.30 C ATOM 1493 CD LYS B 125 -16.363 11.482 1.212 1.00 43.44 C ATOM 1494 CE LYS B 125 -15.859 11.297 2.642 1.00 10.41 C ATOM 1495 NZ LYS B 125 -16.716 11.985 3.626 1.00 52.25 N ATOM 0 H LYS B 125 -13.177 12.372 -2.523 1.00 22.54 H new ATOM 0 HA LYS B 125 -15.028 13.298 -0.441 1.00 43.43 H new ATOM 0 HB2 LYS B 125 -13.429 10.739 -0.374 1.00 30.14 H new ATOM 0 HB3 LYS B 125 -13.740 11.615 1.112 1.00 30.14 H new ATOM 0 HG2 LYS B 125 -15.961 10.758 -0.762 1.00 21.30 H new ATOM 0 HG3 LYS B 125 -15.354 9.726 0.517 1.00 21.30 H new ATOM 0 HD2 LYS B 125 -16.397 12.545 0.972 1.00 43.44 H new ATOM 0 HD3 LYS B 125 -17.382 11.104 1.133 1.00 43.44 H new ATOM 0 HE2 LYS B 125 -15.820 10.233 2.877 1.00 10.41 H new ATOM 0 HE3 LYS B 125 -14.841 11.678 2.719 1.00 10.41 H new ATOM 0 HZ1 LYS B 125 -16.547 11.587 4.572 1.00 52.25 H new ATOM 0 HZ2 LYS B 125 -16.491 13.000 3.632 1.00 52.25 H new ATOM 0 HZ3 LYS B 125 -17.715 11.853 3.368 1.00 52.25 H new ATOM 1509 N GLU B 126 -12.766 13.772 1.071 1.00 2.41 N ATOM 1510 CA GLU B 126 -11.691 14.529 1.694 1.00 1.45 C ATOM 1511 C GLU B 126 -11.263 13.805 2.984 1.00 41.23 C ATOM 1512 O GLU B 126 -12.077 13.072 3.567 1.00 4.11 O ATOM 1513 CB GLU B 126 -12.133 15.989 1.999 1.00 72.45 C ATOM 1514 CG GLU B 126 -13.354 16.160 2.924 1.00 43.10 C ATOM 1515 CD GLU B 126 -14.663 15.691 2.320 1.00 22.32 C ATOM 1516 OE1 GLU B 126 -15.275 16.464 1.543 1.00 35.54 O ATOM 1517 OE2 GLU B 126 -15.104 14.550 2.613 1.00 54.44 O ATOM 0 H GLU B 126 -13.404 13.354 1.748 1.00 2.41 H new ATOM 0 HA GLU B 126 -10.846 14.588 1.008 1.00 1.45 H new ATOM 0 HB2 GLU B 126 -11.289 16.514 2.447 1.00 72.45 H new ATOM 0 HB3 GLU B 126 -12.350 16.484 1.053 1.00 72.45 H new ATOM 0 HG2 GLU B 126 -13.175 15.610 3.848 1.00 43.10 H new ATOM 0 HG3 GLU B 126 -13.447 17.212 3.193 1.00 43.10 H new ATOM 1524 N PRO B 127 -9.990 13.971 3.447 1.00 35.44 N ATOM 1525 CA PRO B 127 -9.484 13.267 4.614 1.00 20.42 C ATOM 1526 C PRO B 127 -10.141 13.688 5.893 1.00 31.40 C ATOM 1527 O PRO B 127 -10.358 14.883 6.156 1.00 44.21 O ATOM 1528 CB PRO B 127 -8.004 13.646 4.654 1.00 23.40 C ATOM 1529 CG PRO B 127 -7.970 14.957 3.994 1.00 44.40 C ATOM 1530 CD PRO B 127 -8.939 14.832 2.877 1.00 32.40 C ATOM 0 HA PRO B 127 -9.676 12.197 4.533 1.00 20.42 H new ATOM 0 HB2 PRO B 127 -7.631 13.701 5.677 1.00 23.40 H new ATOM 0 HB3 PRO B 127 -7.388 12.916 4.129 1.00 23.40 H new ATOM 0 HG2 PRO B 127 -8.255 15.755 4.680 1.00 44.40 H new ATOM 0 HG3 PRO B 127 -6.970 15.192 3.629 1.00 44.40 H new ATOM 0 HD2 PRO B 127 -9.332 15.802 2.573 1.00 32.40 H new ATOM 0 HD3 PRO B 127 -8.483 14.382 1.995 1.00 32.40 H new ATOM 1855 N CYS C 209 1.967 -15.757 5.296 1.00 3.41 N ATOM 1856 CA CYS C 209 2.475 -14.432 5.141 1.00 74.44 C ATOM 1857 C CYS C 209 3.145 -14.427 3.776 1.00 15.14 C ATOM 1858 O CYS C 209 3.857 -15.375 3.470 1.00 12.43 O ATOM 1859 CB CYS C 209 3.485 -14.098 6.259 1.00 22.12 C ATOM 1860 SG CYS C 209 4.067 -12.360 6.255 1.00 62.41 S ATOM 0 HA CYS C 209 1.690 -13.679 5.210 1.00 74.44 H new ATOM 0 HB2 CYS C 209 3.025 -14.313 7.224 1.00 22.12 H new ATOM 0 HB3 CYS C 209 4.347 -14.758 6.163 1.00 22.12 H new ATOM 1865 N PRO C 210 2.898 -13.390 2.925 1.00 65.51 N ATOM 1866 CA PRO C 210 3.412 -13.344 1.535 1.00 75.11 C ATOM 1867 C PRO C 210 4.894 -13.728 1.427 1.00 42.35 C ATOM 1868 O PRO C 210 5.256 -14.712 0.765 1.00 41.23 O ATOM 1869 CB PRO C 210 3.196 -11.883 1.132 1.00 50.04 C ATOM 1870 CG PRO C 210 2.031 -11.436 1.949 1.00 4.14 C ATOM 1871 CD PRO C 210 2.106 -12.188 3.251 1.00 13.44 C ATOM 0 HA PRO C 210 2.903 -14.061 0.891 1.00 75.11 H new ATOM 0 HB2 PRO C 210 4.080 -11.280 1.339 1.00 50.04 H new ATOM 0 HB3 PRO C 210 2.990 -11.792 0.065 1.00 50.04 H new ATOM 0 HG2 PRO C 210 2.068 -10.360 2.120 1.00 4.14 H new ATOM 0 HG3 PRO C 210 1.093 -11.645 1.434 1.00 4.14 H new ATOM 0 HD2 PRO C 210 2.585 -11.593 4.028 1.00 13.44 H new ATOM 0 HD3 PRO C 210 1.114 -12.451 3.617 1.00 13.44 H new ATOM 1879 N CYS C 211 5.727 -12.969 2.064 1.00 25.35 N ATOM 1880 CA CYS C 211 7.121 -13.269 2.089 1.00 52.31 C ATOM 1881 C CYS C 211 7.475 -13.968 3.385 1.00 25.31 C ATOM 1882 O CYS C 211 6.813 -13.759 4.415 1.00 13.13 O ATOM 1883 CB CYS C 211 7.950 -12.010 1.912 1.00 41.05 C ATOM 1884 SG CYS C 211 7.601 -11.113 0.371 1.00 74.13 S ATOM 0 H CYS C 211 5.462 -12.129 2.578 1.00 25.35 H new ATOM 0 HA CYS C 211 7.349 -13.936 1.257 1.00 52.31 H new ATOM 0 HB2 CYS C 211 7.770 -11.346 2.757 1.00 41.05 H new ATOM 0 HB3 CYS C 211 9.007 -12.276 1.935 1.00 41.05 H new ATOM 1889 N ARG C 212 8.505 -14.792 3.354 1.00 51.03 N ATOM 1890 CA ARG C 212 8.942 -15.470 4.554 1.00 74.42 C ATOM 1891 C ARG C 212 9.715 -14.479 5.406 1.00 10.11 C ATOM 1892 O ARG C 212 9.677 -14.524 6.631 1.00 11.01 O ATOM 1893 CB ARG C 212 9.848 -16.674 4.226 1.00 35.01 C ATOM 1894 CG ARG C 212 10.242 -17.538 5.443 1.00 12.13 C ATOM 1895 CD ARG C 212 9.098 -18.423 5.933 1.00 21.22 C ATOM 1896 NE ARG C 212 7.890 -17.676 6.268 1.00 61.40 N ATOM 1897 CZ ARG C 212 6.662 -18.087 5.962 1.00 50.40 C ATOM 1898 NH1 ARG C 212 6.466 -19.315 5.478 1.00 34.55 N ATOM 1899 NH2 ARG C 212 5.641 -17.292 6.161 1.00 2.13 N ATOM 0 H ARG C 212 9.049 -15.005 2.518 1.00 51.03 H new ATOM 0 HA ARG C 212 8.067 -15.845 5.084 1.00 74.42 H new ATOM 0 HB2 ARG C 212 9.339 -17.306 3.499 1.00 35.01 H new ATOM 0 HB3 ARG C 212 10.757 -16.308 3.749 1.00 35.01 H new ATOM 0 HG2 ARG C 212 11.093 -18.165 5.178 1.00 12.13 H new ATOM 0 HG3 ARG C 212 10.566 -16.888 6.255 1.00 12.13 H new ATOM 0 HD2 ARG C 212 8.861 -19.157 5.163 1.00 21.22 H new ATOM 0 HD3 ARG C 212 9.428 -18.978 6.811 1.00 21.22 H new ATOM 0 HE ARG C 212 7.993 -16.791 6.764 1.00 61.40 H new ATOM 0 HH11 ARG C 212 7.259 -19.942 5.342 1.00 34.55 H new ATOM 0 HH12 ARG C 212 5.523 -19.627 5.245 1.00 34.55 H new ATOM 0 HH21 ARG C 212 5.788 -16.360 6.550 1.00 2.13 H new ATOM 0 HH22 ARG C 212 4.698 -17.604 5.927 1.00 2.13 H new ATOM 1913 N PHE C 213 10.412 -13.589 4.736 1.00 23.25 N ATOM 1914 CA PHE C 213 11.185 -12.556 5.370 1.00 65.25 C ATOM 1915 C PHE C 213 10.945 -11.255 4.638 1.00 24.30 C ATOM 1916 O PHE C 213 10.483 -11.266 3.504 1.00 65.40 O ATOM 1917 CB PHE C 213 12.675 -12.916 5.422 1.00 32.41 C ATOM 1918 CG PHE C 213 12.960 -14.143 6.251 1.00 30.45 C ATOM 1919 CD1 PHE C 213 13.101 -14.049 7.621 1.00 52.42 C ATOM 1920 CD2 PHE C 213 13.075 -15.388 5.660 1.00 32.43 C ATOM 1921 CE1 PHE C 213 13.349 -15.171 8.382 1.00 53.54 C ATOM 1922 CE2 PHE C 213 13.326 -16.512 6.417 1.00 35.12 C ATOM 1923 CZ PHE C 213 13.462 -16.402 7.780 1.00 53.21 C ATOM 0 H PHE C 213 10.455 -13.566 3.717 1.00 23.25 H new ATOM 0 HA PHE C 213 10.865 -12.448 6.406 1.00 65.25 H new ATOM 0 HB2 PHE C 213 13.039 -13.078 4.407 1.00 32.41 H new ATOM 0 HB3 PHE C 213 13.232 -12.072 5.829 1.00 32.41 H new ATOM 0 HD1 PHE C 213 13.016 -13.086 8.102 1.00 52.42 H new ATOM 0 HD2 PHE C 213 12.967 -15.481 4.589 1.00 32.43 H new ATOM 0 HE1 PHE C 213 13.455 -15.083 9.453 1.00 53.54 H new ATOM 0 HE2 PHE C 213 13.416 -17.477 5.940 1.00 35.12 H new ATOM 0 HZ PHE C 213 13.657 -17.281 8.377 1.00 53.21 H new ATOM 1933 N PHE C 214 11.241 -10.171 5.272 1.00 40.21 N ATOM 1934 CA PHE C 214 10.925 -8.858 4.739 1.00 1.34 C ATOM 1935 C PHE C 214 12.093 -7.891 4.865 1.00 13.13 C ATOM 1936 O PHE C 214 12.591 -7.660 5.942 1.00 44.31 O ATOM 1937 CB PHE C 214 9.631 -8.316 5.386 1.00 1.01 C ATOM 1938 CG PHE C 214 9.556 -8.467 6.892 1.00 34.21 C ATOM 1939 CD1 PHE C 214 10.091 -7.521 7.729 1.00 61.21 C ATOM 1940 CD2 PHE C 214 8.934 -9.572 7.455 1.00 22.33 C ATOM 1941 CE1 PHE C 214 10.018 -7.659 9.095 1.00 54.53 C ATOM 1942 CE2 PHE C 214 8.856 -9.717 8.825 1.00 74.14 C ATOM 1943 CZ PHE C 214 9.401 -8.754 9.644 1.00 54.32 C ATOM 0 H PHE C 214 11.710 -10.154 6.178 1.00 40.21 H new ATOM 0 HA PHE C 214 10.743 -8.959 3.669 1.00 1.34 H new ATOM 0 HB2 PHE C 214 9.533 -7.259 5.137 1.00 1.01 H new ATOM 0 HB3 PHE C 214 8.778 -8.829 4.942 1.00 1.01 H new ATOM 0 HD1 PHE C 214 10.578 -6.654 7.308 1.00 61.21 H new ATOM 0 HD2 PHE C 214 8.506 -10.328 6.813 1.00 22.33 H new ATOM 0 HE1 PHE C 214 10.447 -6.904 9.737 1.00 54.53 H new ATOM 0 HE2 PHE C 214 8.370 -10.581 9.253 1.00 74.14 H new ATOM 0 HZ PHE C 214 9.343 -8.861 10.717 1.00 54.32 H new ATOM 1953 N GLU C 215 12.462 -7.282 3.764 1.00 4.03 N ATOM 1954 CA GLU C 215 13.652 -6.478 3.680 1.00 70.12 C ATOM 1955 C GLU C 215 13.608 -5.236 4.560 1.00 43.24 C ATOM 1956 O GLU C 215 12.641 -4.461 4.538 1.00 62.24 O ATOM 1957 CB GLU C 215 13.966 -6.133 2.230 1.00 22.03 C ATOM 1958 CG GLU C 215 15.113 -5.168 2.084 1.00 52.42 C ATOM 1959 CD GLU C 215 15.550 -4.948 0.644 1.00 24.51 C ATOM 1960 OE1 GLU C 215 14.727 -5.076 -0.262 1.00 74.10 O ATOM 1961 OE2 GLU C 215 16.727 -4.599 0.417 1.00 31.30 O ATOM 0 H GLU C 215 11.936 -7.333 2.892 1.00 4.03 H new ATOM 0 HA GLU C 215 14.467 -7.084 4.076 1.00 70.12 H new ATOM 0 HB2 GLU C 215 14.199 -7.049 1.688 1.00 22.03 H new ATOM 0 HB3 GLU C 215 13.078 -5.705 1.765 1.00 22.03 H new ATOM 0 HG2 GLU C 215 14.827 -4.210 2.518 1.00 52.42 H new ATOM 0 HG3 GLU C 215 15.962 -5.537 2.659 1.00 52.42 H new ATOM 1968 N SER C 216 14.666 -5.057 5.336 1.00 13.33 N ATOM 1969 CA SER C 216 14.782 -3.930 6.214 1.00 75.44 C ATOM 1970 C SER C 216 15.931 -3.002 5.762 1.00 21.03 C ATOM 1971 O SER C 216 16.318 -2.063 6.467 1.00 23.21 O ATOM 1972 CB SER C 216 15.023 -4.431 7.632 1.00 34.14 C ATOM 1973 OG SER C 216 16.226 -5.204 7.717 1.00 65.35 O ATOM 0 H SER C 216 15.461 -5.695 5.366 1.00 13.33 H new ATOM 0 HA SER C 216 13.859 -3.352 6.185 1.00 75.44 H new ATOM 0 HB2 SER C 216 15.085 -3.583 8.313 1.00 34.14 H new ATOM 0 HB3 SER C 216 14.176 -5.037 7.954 1.00 34.14 H new ATOM 0 HG SER C 216 16.696 -4.987 8.549 1.00 65.35 H new ATOM 1979 N HIS C 217 16.483 -3.279 4.593 1.00 53.24 N ATOM 1980 CA HIS C 217 17.579 -2.468 4.039 1.00 43.42 C ATOM 1981 C HIS C 217 17.226 -1.932 2.678 1.00 52.31 C ATOM 1982 O HIS C 217 18.081 -1.421 1.957 1.00 30.31 O ATOM 1983 CB HIS C 217 18.910 -3.245 3.997 1.00 51.01 C ATOM 1984 CG HIS C 217 19.571 -3.412 5.333 1.00 55.32 C ATOM 1985 ND1 HIS C 217 20.844 -2.956 5.607 1.00 35.34 N ATOM 1986 CD2 HIS C 217 19.136 -3.989 6.473 1.00 63.31 C ATOM 1987 CE1 HIS C 217 21.155 -3.245 6.850 1.00 71.52 C ATOM 1988 NE2 HIS C 217 20.137 -3.872 7.399 1.00 2.11 N ATOM 0 H HIS C 217 16.197 -4.058 4.001 1.00 53.24 H new ATOM 0 HA HIS C 217 17.720 -1.622 4.711 1.00 43.42 H new ATOM 0 HB2 HIS C 217 18.728 -4.231 3.569 1.00 51.01 H new ATOM 0 HB3 HIS C 217 19.597 -2.729 3.327 1.00 51.01 H new ATOM 0 HD2 HIS C 217 18.175 -4.457 6.626 1.00 63.31 H new ATOM 0 HE1 HIS C 217 22.088 -3.008 7.339 1.00 71.52 H new ATOM 0 HE2 HIS C 217 20.100 -4.215 8.359 1.00 2.11 H new ATOM 1997 N VAL C 218 15.964 -2.011 2.361 1.00 42.30 N ATOM 1998 CA VAL C 218 15.444 -1.547 1.098 1.00 62.25 C ATOM 1999 C VAL C 218 15.494 -0.025 1.011 1.00 43.23 C ATOM 2000 O VAL C 218 15.232 0.686 1.998 1.00 13.31 O ATOM 2001 CB VAL C 218 14.003 -2.075 0.858 1.00 54.14 C ATOM 2002 CG1 VAL C 218 13.115 -1.739 2.017 1.00 52.52 C ATOM 2003 CG2 VAL C 218 13.420 -1.574 -0.456 1.00 74.53 C ATOM 0 H VAL C 218 15.255 -2.405 2.979 1.00 42.30 H new ATOM 0 HA VAL C 218 16.080 -1.947 0.308 1.00 62.25 H new ATOM 0 HB VAL C 218 14.061 -3.161 0.779 1.00 54.14 H new ATOM 0 HG11 VAL C 218 12.111 -2.118 1.828 1.00 52.52 H new ATOM 0 HG12 VAL C 218 13.511 -2.197 2.923 1.00 52.52 H new ATOM 0 HG13 VAL C 218 13.076 -0.657 2.144 1.00 52.52 H new ATOM 0 HG21 VAL C 218 12.412 -1.969 -0.581 1.00 74.53 H new ATOM 0 HG22 VAL C 218 13.384 -0.485 -0.446 1.00 74.53 H new ATOM 0 HG23 VAL C 218 14.046 -1.909 -1.283 1.00 74.53 H new ATOM 2013 N ALA C 219 15.844 0.457 -0.150 1.00 51.34 N ATOM 2014 CA ALA C 219 15.979 1.858 -0.393 1.00 61.24 C ATOM 2015 C ALA C 219 14.782 2.379 -1.161 1.00 41.22 C ATOM 2016 O ALA C 219 14.327 1.751 -2.123 1.00 61.51 O ATOM 2017 CB ALA C 219 17.262 2.130 -1.161 1.00 21.31 C ATOM 0 H ALA C 219 16.045 -0.125 -0.963 1.00 51.34 H new ATOM 0 HA ALA C 219 16.025 2.378 0.564 1.00 61.24 H new ATOM 0 HB1 ALA C 219 17.358 3.201 -1.342 1.00 21.31 H new ATOM 0 HB2 ALA C 219 18.115 1.783 -0.578 1.00 21.31 H new ATOM 0 HB3 ALA C 219 17.235 1.602 -2.114 1.00 21.31 H new ATOM 2023 N ARG C 220 14.283 3.519 -0.728 1.00 71.02 N ATOM 2024 CA ARG C 220 13.154 4.220 -1.349 1.00 34.13 C ATOM 2025 C ARG C 220 13.417 4.474 -2.845 1.00 44.42 C ATOM 2026 O ARG C 220 12.495 4.471 -3.659 1.00 20.50 O ATOM 2027 CB ARG C 220 12.968 5.560 -0.623 1.00 55.11 C ATOM 2028 CG ARG C 220 11.872 6.471 -1.157 1.00 13.23 C ATOM 2029 CD ARG C 220 10.493 5.872 -0.991 1.00 40.53 C ATOM 2030 NE ARG C 220 9.450 6.814 -1.396 1.00 64.14 N ATOM 2031 CZ ARG C 220 8.802 7.634 -0.551 1.00 15.35 C ATOM 2032 NH1 ARG C 220 9.113 7.645 0.754 1.00 34.04 N ATOM 2033 NH2 ARG C 220 7.855 8.444 -1.012 1.00 44.22 N ATOM 0 H ARG C 220 14.655 4.005 0.088 1.00 71.02 H new ATOM 0 HA ARG C 220 12.257 3.607 -1.267 1.00 34.13 H new ATOM 0 HB2 ARG C 220 12.760 5.354 0.427 1.00 55.11 H new ATOM 0 HB3 ARG C 220 13.912 6.103 -0.660 1.00 55.11 H new ATOM 0 HG2 ARG C 220 11.914 7.429 -0.638 1.00 13.23 H new ATOM 0 HG3 ARG C 220 12.053 6.673 -2.213 1.00 13.23 H new ATOM 0 HD2 ARG C 220 10.415 4.963 -1.587 1.00 40.53 H new ATOM 0 HD3 ARG C 220 10.342 5.585 0.050 1.00 40.53 H new ATOM 0 HE ARG C 220 9.198 6.851 -2.384 1.00 64.14 H new ATOM 0 HH11 ARG C 220 9.844 7.029 1.109 1.00 34.04 H new ATOM 0 HH12 ARG C 220 8.618 8.269 1.391 1.00 34.04 H new ATOM 0 HH21 ARG C 220 7.621 8.442 -2.005 1.00 44.22 H new ATOM 0 HH22 ARG C 220 7.362 9.067 -0.373 1.00 44.22 H new ATOM 2047 N ALA C 221 14.672 4.665 -3.185 1.00 33.44 N ATOM 2048 CA ALA C 221 15.075 4.943 -4.552 1.00 74.23 C ATOM 2049 C ALA C 221 15.096 3.690 -5.415 1.00 54.04 C ATOM 2050 O ALA C 221 15.223 3.775 -6.637 1.00 12.21 O ATOM 2051 CB ALA C 221 16.437 5.617 -4.574 1.00 73.34 C ATOM 0 H ALA C 221 15.447 4.633 -2.522 1.00 33.44 H new ATOM 0 HA ALA C 221 14.330 5.616 -4.976 1.00 74.23 H new ATOM 0 HB1 ALA C 221 16.726 5.819 -5.605 1.00 73.34 H new ATOM 0 HB2 ALA C 221 16.388 6.555 -4.020 1.00 73.34 H new ATOM 0 HB3 ALA C 221 17.175 4.961 -4.112 1.00 73.34 H new ATOM 2057 N ASN C 222 14.976 2.540 -4.801 1.00 33.35 N ATOM 2058 CA ASN C 222 15.079 1.298 -5.538 1.00 30.44 C ATOM 2059 C ASN C 222 13.707 0.620 -5.692 1.00 31.53 C ATOM 2060 O ASN C 222 13.593 -0.424 -6.294 1.00 30.03 O ATOM 2061 CB ASN C 222 16.113 0.368 -4.856 1.00 10.25 C ATOM 2062 CG ASN C 222 16.444 -0.898 -5.648 1.00 53.22 C ATOM 2063 OD1 ASN C 222 16.392 -0.912 -6.876 1.00 71.14 O ATOM 2064 ND2 ASN C 222 16.800 -1.956 -4.957 1.00 22.15 N ATOM 0 H ASN C 222 14.808 2.434 -3.801 1.00 33.35 H new ATOM 0 HA ASN C 222 15.430 1.516 -6.547 1.00 30.44 H new ATOM 0 HB2 ASN C 222 17.033 0.928 -4.689 1.00 10.25 H new ATOM 0 HB3 ASN C 222 15.733 0.080 -3.876 1.00 10.25 H new ATOM 0 HD21 ASN C 222 17.043 -2.822 -5.439 1.00 22.15 H new ATOM 0 HD22 ASN C 222 16.833 -1.912 -3.938 1.00 22.15 H new ATOM 2071 N VAL C 223 12.667 1.231 -5.164 1.00 10.31 N ATOM 2072 CA VAL C 223 11.324 0.661 -5.295 1.00 34.04 C ATOM 2073 C VAL C 223 10.467 1.474 -6.253 1.00 41.23 C ATOM 2074 O VAL C 223 10.727 2.661 -6.475 1.00 33.14 O ATOM 2075 CB VAL C 223 10.585 0.521 -3.938 1.00 33.33 C ATOM 2076 CG1 VAL C 223 11.354 -0.382 -2.999 1.00 71.41 C ATOM 2077 CG2 VAL C 223 10.322 1.883 -3.298 1.00 75.24 C ATOM 0 H VAL C 223 12.713 2.109 -4.646 1.00 10.31 H new ATOM 0 HA VAL C 223 11.472 -0.341 -5.697 1.00 34.04 H new ATOM 0 HB VAL C 223 9.616 0.062 -4.135 1.00 33.33 H new ATOM 0 HG11 VAL C 223 10.817 -0.466 -2.054 1.00 71.41 H new ATOM 0 HG12 VAL C 223 11.456 -1.370 -3.447 1.00 71.41 H new ATOM 0 HG13 VAL C 223 12.343 0.039 -2.819 1.00 71.41 H new ATOM 0 HG21 VAL C 223 9.803 1.745 -2.349 1.00 75.24 H new ATOM 0 HG22 VAL C 223 11.270 2.392 -3.122 1.00 75.24 H new ATOM 0 HG23 VAL C 223 9.705 2.485 -3.965 1.00 75.24 H new ATOM 2087 N LYS C 224 9.477 0.822 -6.839 1.00 60.05 N ATOM 2088 CA LYS C 224 8.556 1.484 -7.747 1.00 53.35 C ATOM 2089 C LYS C 224 7.304 1.947 -6.998 1.00 22.40 C ATOM 2090 O LYS C 224 6.932 3.110 -7.055 1.00 14.13 O ATOM 2091 CB LYS C 224 8.173 0.544 -8.897 1.00 33.20 C ATOM 2092 CG LYS C 224 9.383 0.119 -9.671 1.00 40.21 C ATOM 2093 CD LYS C 224 9.119 -0.857 -10.815 1.00 22.02 C ATOM 2094 CE LYS C 224 8.528 -2.171 -10.340 1.00 13.33 C ATOM 2095 NZ LYS C 224 8.467 -3.160 -11.432 1.00 3.41 N ATOM 0 H LYS C 224 9.290 -0.171 -6.701 1.00 60.05 H new ATOM 0 HA LYS C 224 9.052 2.360 -8.164 1.00 53.35 H new ATOM 0 HB2 LYS C 224 7.665 -0.334 -8.499 1.00 33.20 H new ATOM 0 HB3 LYS C 224 7.470 1.045 -9.562 1.00 33.20 H new ATOM 0 HG2 LYS C 224 9.864 1.008 -10.078 1.00 40.21 H new ATOM 0 HG3 LYS C 224 10.092 -0.339 -8.981 1.00 40.21 H new ATOM 0 HD2 LYS C 224 8.439 -0.395 -11.531 1.00 22.02 H new ATOM 0 HD3 LYS C 224 10.053 -1.053 -11.343 1.00 22.02 H new ATOM 0 HE2 LYS C 224 9.129 -2.567 -9.522 1.00 13.33 H new ATOM 0 HE3 LYS C 224 7.526 -2.000 -9.946 1.00 13.33 H new ATOM 0 HZ1 LYS C 224 8.058 -4.047 -11.075 1.00 3.41 H new ATOM 0 HZ2 LYS C 224 7.873 -2.791 -12.202 1.00 3.41 H new ATOM 0 HZ3 LYS C 224 9.426 -3.341 -11.791 1.00 3.41 H new ATOM 2109 N HIS C 225 6.656 1.026 -6.282 1.00 21.31 N ATOM 2110 CA HIS C 225 5.452 1.381 -5.539 1.00 4.22 C ATOM 2111 C HIS C 225 5.315 0.451 -4.320 1.00 34.23 C ATOM 2112 O HIS C 225 6.042 -0.549 -4.216 1.00 50.55 O ATOM 2113 CB HIS C 225 4.186 1.279 -6.447 1.00 13.20 C ATOM 2114 CG HIS C 225 3.533 -0.091 -6.528 1.00 63.01 C ATOM 2115 ND1 HIS C 225 3.911 -1.108 -7.374 1.00 53.40 N ATOM 2116 CD2 HIS C 225 2.506 -0.581 -5.824 1.00 4.43 C ATOM 2117 CE1 HIS C 225 3.128 -2.149 -7.171 1.00 43.43 C ATOM 2118 NE2 HIS C 225 2.286 -1.849 -6.238 1.00 54.03 N ATOM 0 H HIS C 225 6.939 0.049 -6.203 1.00 21.31 H new ATOM 0 HA HIS C 225 5.536 2.414 -5.201 1.00 4.22 H new ATOM 0 HB2 HIS C 225 3.445 1.992 -6.085 1.00 13.20 H new ATOM 0 HB3 HIS C 225 4.460 1.589 -7.455 1.00 13.20 H new ATOM 0 HD1 HIS C 225 4.674 -1.064 -8.049 1.00 53.40 H new ATOM 0 HD2 HIS C 225 1.951 -0.056 -5.060 1.00 4.43 H new ATOM 0 HE1 HIS C 225 3.181 -3.092 -7.695 1.00 43.43 H new ATOM 2127 N LEU C 226 4.341 0.733 -3.455 1.00 73.32 N ATOM 2128 CA LEU C 226 4.122 -0.050 -2.239 1.00 1.54 C ATOM 2129 C LEU C 226 2.755 -0.727 -2.283 1.00 74.44 C ATOM 2130 O LEU C 226 1.855 -0.260 -2.936 1.00 53.32 O ATOM 2131 CB LEU C 226 4.206 0.830 -0.968 1.00 62.12 C ATOM 2132 CG LEU C 226 5.584 1.395 -0.537 1.00 55.00 C ATOM 2133 CD1 LEU C 226 6.174 2.358 -1.555 1.00 11.01 C ATOM 2134 CD2 LEU C 226 5.451 2.069 0.811 1.00 12.34 C ATOM 0 H LEU C 226 3.686 1.505 -3.576 1.00 73.32 H new ATOM 0 HA LEU C 226 4.910 -0.802 -2.194 1.00 1.54 H new ATOM 0 HB2 LEU C 226 3.532 1.675 -1.108 1.00 62.12 H new ATOM 0 HB3 LEU C 226 3.815 0.245 -0.136 1.00 62.12 H new ATOM 0 HG LEU C 226 6.276 0.555 -0.471 1.00 55.00 H new ATOM 0 HD11 LEU C 226 7.138 2.720 -1.197 1.00 11.01 H new ATOM 0 HD12 LEU C 226 6.310 1.844 -2.506 1.00 11.01 H new ATOM 0 HD13 LEU C 226 5.498 3.202 -1.692 1.00 11.01 H new ATOM 0 HD21 LEU C 226 6.419 2.467 1.116 1.00 12.34 H new ATOM 0 HD22 LEU C 226 4.730 2.883 0.741 1.00 12.34 H new ATOM 0 HD23 LEU C 226 5.109 1.343 1.549 1.00 12.34 H new ATOM 2146 N LYS C 227 2.615 -1.836 -1.630 1.00 45.52 N ATOM 2147 CA LYS C 227 1.358 -2.526 -1.592 1.00 74.13 C ATOM 2148 C LYS C 227 1.172 -3.184 -0.251 1.00 71.02 C ATOM 2149 O LYS C 227 2.023 -3.924 0.177 1.00 54.14 O ATOM 2150 CB LYS C 227 1.337 -3.536 -2.689 1.00 43.44 C ATOM 2151 CG LYS C 227 0.020 -4.231 -2.854 1.00 13.11 C ATOM 2152 CD LYS C 227 0.005 -5.087 -4.081 1.00 45.13 C ATOM 2153 CE LYS C 227 0.839 -6.347 -3.994 1.00 43.01 C ATOM 2154 NZ LYS C 227 2.236 -6.201 -3.510 1.00 22.30 N ATOM 0 H LYS C 227 3.364 -2.291 -1.108 1.00 45.52 H new ATOM 0 HA LYS C 227 0.538 -1.823 -1.735 1.00 74.13 H new ATOM 0 HB2 LYS C 227 1.596 -3.044 -3.627 1.00 43.44 H new ATOM 0 HB3 LYS C 227 2.108 -4.282 -2.497 1.00 43.44 H new ATOM 0 HG2 LYS C 227 -0.181 -4.846 -1.977 1.00 13.11 H new ATOM 0 HG3 LYS C 227 -0.778 -3.491 -2.915 1.00 13.11 H new ATOM 0 HD2 LYS C 227 -1.026 -5.366 -4.298 1.00 45.13 H new ATOM 0 HD3 LYS C 227 0.358 -4.493 -4.924 1.00 45.13 H new ATOM 0 HE2 LYS C 227 0.325 -7.048 -3.337 1.00 43.01 H new ATOM 0 HE3 LYS C 227 0.870 -6.802 -4.984 1.00 43.01 H new ATOM 0 HZ1 LYS C 227 2.724 -7.117 -3.577 1.00 22.30 H new ATOM 0 HZ2 LYS C 227 2.734 -5.500 -4.094 1.00 22.30 H new ATOM 0 HZ3 LYS C 227 2.229 -5.884 -2.519 1.00 22.30 H new ATOM 2168 N ILE C 228 0.059 -2.945 0.381 1.00 52.54 N ATOM 2169 CA ILE C 228 -0.155 -3.407 1.732 1.00 61.13 C ATOM 2170 C ILE C 228 -1.047 -4.640 1.732 1.00 64.34 C ATOM 2171 O ILE C 228 -2.171 -4.631 1.157 1.00 14.23 O ATOM 2172 CB ILE C 228 -0.856 -2.321 2.599 1.00 53.15 C ATOM 2173 CG1 ILE C 228 -0.161 -0.959 2.453 1.00 65.30 C ATOM 2174 CG2 ILE C 228 -0.838 -2.749 4.061 1.00 54.13 C ATOM 2175 CD1 ILE C 228 -0.786 0.142 3.289 1.00 14.14 C ATOM 0 H ILE C 228 -0.724 -2.428 -0.018 1.00 52.54 H new ATOM 0 HA ILE C 228 0.825 -3.636 2.150 1.00 61.13 H new ATOM 0 HB ILE C 228 -1.884 -2.218 2.253 1.00 53.15 H new ATOM 0 HG12 ILE C 228 0.887 -1.065 2.734 1.00 65.30 H new ATOM 0 HG13 ILE C 228 -0.182 -0.662 1.404 1.00 65.30 H new ATOM 0 HG21 ILE C 228 -1.329 -1.989 4.669 1.00 54.13 H new ATOM 0 HG22 ILE C 228 -1.366 -3.697 4.169 1.00 54.13 H new ATOM 0 HG23 ILE C 228 0.193 -2.868 4.393 1.00 54.13 H new ATOM 0 HD11 ILE C 228 -0.240 1.072 3.132 1.00 14.14 H new ATOM 0 HD12 ILE C 228 -1.826 0.277 2.993 1.00 14.14 H new ATOM 0 HD13 ILE C 228 -0.741 -0.132 4.343 1.00 14.14 H new ATOM 2187 N LEU C 229 -0.534 -5.704 2.332 1.00 52.35 N ATOM 2188 CA LEU C 229 -1.256 -6.945 2.509 1.00 12.32 C ATOM 2189 C LEU C 229 -1.200 -7.369 3.960 1.00 35.13 C ATOM 2190 O LEU C 229 -0.169 -7.862 4.445 1.00 15.22 O ATOM 2191 CB LEU C 229 -0.796 -8.112 1.567 1.00 71.15 C ATOM 2192 CG LEU C 229 -1.064 -7.963 0.044 1.00 33.35 C ATOM 2193 CD1 LEU C 229 -0.205 -6.902 -0.589 1.00 51.30 C ATOM 2194 CD2 LEU C 229 -0.902 -9.285 -0.691 1.00 10.34 C ATOM 0 H LEU C 229 0.412 -5.725 2.714 1.00 52.35 H new ATOM 0 HA LEU C 229 -2.285 -6.739 2.216 1.00 12.32 H new ATOM 0 HB2 LEU C 229 0.276 -8.252 1.706 1.00 71.15 H new ATOM 0 HB3 LEU C 229 -1.283 -9.027 1.905 1.00 71.15 H new ATOM 0 HG LEU C 229 -2.103 -7.645 -0.049 1.00 33.35 H new ATOM 0 HD11 LEU C 229 -0.431 -6.838 -1.653 1.00 51.30 H new ATOM 0 HD12 LEU C 229 -0.407 -5.941 -0.117 1.00 51.30 H new ATOM 0 HD13 LEU C 229 0.846 -7.158 -0.456 1.00 51.30 H new ATOM 0 HD21 LEU C 229 -1.098 -9.137 -1.753 1.00 10.34 H new ATOM 0 HD22 LEU C 229 0.115 -9.653 -0.558 1.00 10.34 H new ATOM 0 HD23 LEU C 229 -1.607 -10.013 -0.290 1.00 10.34 H new ATOM 2206 N ASN C 230 -2.284 -7.137 4.653 1.00 75.41 N ATOM 2207 CA ASN C 230 -2.399 -7.518 6.040 1.00 70.12 C ATOM 2208 C ASN C 230 -2.934 -8.929 6.092 1.00 14.32 C ATOM 2209 O ASN C 230 -3.978 -9.225 5.510 1.00 12.40 O ATOM 2210 CB ASN C 230 -3.339 -6.557 6.791 1.00 54.41 C ATOM 2211 CG ASN C 230 -3.417 -6.842 8.287 1.00 12.14 C ATOM 2212 OD1 ASN C 230 -2.465 -7.314 8.894 1.00 50.13 O ATOM 2213 ND2 ASN C 230 -4.538 -6.530 8.892 1.00 52.24 N ATOM 0 H ASN C 230 -3.113 -6.679 4.274 1.00 75.41 H new ATOM 0 HA ASN C 230 -1.424 -7.467 6.524 1.00 70.12 H new ATOM 0 HB2 ASN C 230 -2.998 -5.533 6.640 1.00 54.41 H new ATOM 0 HB3 ASN C 230 -4.338 -6.627 6.362 1.00 54.41 H new ATOM 0 HD21 ASN C 230 -4.634 -6.679 9.896 1.00 52.24 H new ATOM 0 HD22 ASN C 230 -5.314 -6.138 8.358 1.00 52.24 H new ATOM 2220 N THR C 231 -2.213 -9.794 6.729 1.00 13.12 N ATOM 2221 CA THR C 231 -2.579 -11.180 6.790 1.00 43.41 C ATOM 2222 C THR C 231 -2.900 -11.617 8.227 1.00 65.54 C ATOM 2223 O THR C 231 -2.362 -11.069 9.167 1.00 12.54 O ATOM 2224 CB THR C 231 -1.497 -12.065 6.136 1.00 40.00 C ATOM 2225 OG1 THR C 231 -0.211 -11.658 6.595 1.00 43.40 O ATOM 2226 CG2 THR C 231 -1.548 -11.963 4.616 1.00 10.24 C ATOM 0 H THR C 231 -1.351 -9.563 7.224 1.00 13.12 H new ATOM 0 HA THR C 231 -3.495 -11.312 6.215 1.00 43.41 H new ATOM 0 HB THR C 231 -1.685 -13.101 6.417 1.00 40.00 H new ATOM 0 HG1 THR C 231 0.481 -12.070 6.037 1.00 43.40 H new ATOM 0 HG21 THR C 231 -0.774 -12.597 4.183 1.00 10.24 H new ATOM 0 HG22 THR C 231 -2.526 -12.290 4.262 1.00 10.24 H new ATOM 0 HG23 THR C 231 -1.380 -10.929 4.315 1.00 10.24 H new ATOM 2234 N PRO C 232 -3.787 -12.615 8.403 1.00 53.42 N ATOM 2235 CA PRO C 232 -4.232 -13.077 9.732 1.00 24.34 C ATOM 2236 C PRO C 232 -3.099 -13.491 10.701 1.00 44.34 C ATOM 2237 O PRO C 232 -3.209 -13.291 11.922 1.00 75.32 O ATOM 2238 CB PRO C 232 -5.123 -14.294 9.413 1.00 35.01 C ATOM 2239 CG PRO C 232 -4.828 -14.640 7.990 1.00 34.01 C ATOM 2240 CD PRO C 232 -4.460 -13.352 7.326 1.00 3.21 C ATOM 0 HA PRO C 232 -4.731 -12.263 10.258 1.00 24.34 H new ATOM 0 HB2 PRO C 232 -4.898 -15.130 10.075 1.00 35.01 H new ATOM 0 HB3 PRO C 232 -6.178 -14.055 9.549 1.00 35.01 H new ATOM 0 HG2 PRO C 232 -4.013 -15.361 7.924 1.00 34.01 H new ATOM 0 HG3 PRO C 232 -5.695 -15.094 7.510 1.00 34.01 H new ATOM 0 HD2 PRO C 232 -3.802 -13.510 6.471 1.00 3.21 H new ATOM 0 HD3 PRO C 232 -5.338 -12.820 6.959 1.00 3.21 H new ATOM 2248 N ASN C 233 -2.013 -14.027 10.172 1.00 65.14 N ATOM 2249 CA ASN C 233 -0.955 -14.571 11.032 1.00 43.01 C ATOM 2250 C ASN C 233 0.372 -13.820 10.827 1.00 15.45 C ATOM 2251 O ASN C 233 1.433 -14.268 11.245 1.00 51.45 O ATOM 2252 CB ASN C 233 -0.780 -16.082 10.745 1.00 52.22 C ATOM 2253 CG ASN C 233 0.126 -16.816 11.747 1.00 74.10 C ATOM 2254 OD1 ASN C 233 0.071 -16.437 13.011 1.00 22.03 O flip ATOM 2255 ND2 ASN C 233 0.831 -17.760 11.381 1.00 50.00 N flip ATOM 0 H ASN C 233 -1.834 -14.101 9.171 1.00 65.14 H new ATOM 0 HA ASN C 233 -1.248 -14.436 12.073 1.00 43.01 H new ATOM 0 HB2 ASN C 233 -1.762 -16.556 10.746 1.00 52.22 H new ATOM 0 HB3 ASN C 233 -0.368 -16.204 9.743 1.00 52.22 H new ATOM 0 HD21 ASN C 233 0.852 -18.029 10.397 1.00 50.00 H new ATOM 0 HD22 ASN C 233 1.392 -18.271 12.062 1.00 50.00 H new ATOM 2262 N CYS C 234 0.307 -12.673 10.228 1.00 2.15 N ATOM 2263 CA CYS C 234 1.504 -11.910 9.972 1.00 1.04 C ATOM 2264 C CYS C 234 1.149 -10.451 10.184 1.00 1.21 C ATOM 2265 O CYS C 234 -0.024 -10.111 10.201 1.00 54.30 O ATOM 2266 CB CYS C 234 1.991 -12.183 8.529 1.00 71.05 C ATOM 2267 SG CYS C 234 3.699 -11.634 8.138 1.00 75.35 S ATOM 0 H CYS C 234 -0.557 -12.238 9.905 1.00 2.15 H new ATOM 0 HA CYS C 234 2.318 -12.189 10.641 1.00 1.04 H new ATOM 0 HB2 CYS C 234 1.923 -13.254 8.340 1.00 71.05 H new ATOM 0 HB3 CYS C 234 1.306 -11.693 7.837 1.00 71.05 H new ATOM 2272 N ALA C 235 2.123 -9.604 10.397 1.00 24.52 N ATOM 2273 CA ALA C 235 1.842 -8.203 10.615 1.00 24.42 C ATOM 2274 C ALA C 235 1.346 -7.538 9.335 1.00 50.23 C ATOM 2275 O ALA C 235 1.491 -8.101 8.232 1.00 62.05 O ATOM 2276 CB ALA C 235 3.077 -7.488 11.144 1.00 64.10 C ATOM 0 H ALA C 235 3.111 -9.854 10.425 1.00 24.52 H new ATOM 0 HA ALA C 235 1.051 -8.129 11.361 1.00 24.42 H new ATOM 0 HB1 ALA C 235 2.847 -6.434 11.302 1.00 64.10 H new ATOM 0 HB2 ALA C 235 3.382 -7.939 12.088 1.00 64.10 H new ATOM 0 HB3 ALA C 235 3.887 -7.578 10.421 1.00 64.10 H new ATOM 2282 N CYS C 236 0.731 -6.363 9.488 1.00 34.10 N ATOM 2283 CA CYS C 236 0.309 -5.562 8.351 1.00 4.40 C ATOM 2284 C CYS C 236 1.567 -5.205 7.599 1.00 41.43 C ATOM 2285 O CYS C 236 2.412 -4.476 8.105 1.00 3.34 O ATOM 2286 CB CYS C 236 -0.420 -4.299 8.832 1.00 43.50 C ATOM 2287 SG CYS C 236 -1.112 -3.253 7.511 1.00 24.44 S ATOM 0 H CYS C 236 0.516 -5.949 10.395 1.00 34.10 H new ATOM 0 HA CYS C 236 -0.386 -6.106 7.712 1.00 4.40 H new ATOM 0 HB2 CYS C 236 -1.229 -4.597 9.499 1.00 43.50 H new ATOM 0 HB3 CYS C 236 0.274 -3.700 9.422 1.00 43.50 H new ATOM 2292 N GLN C 237 1.714 -5.754 6.430 1.00 50.03 N ATOM 2293 CA GLN C 237 2.956 -5.693 5.747 1.00 61.25 C ATOM 2294 C GLN C 237 2.855 -5.081 4.384 1.00 52.51 C ATOM 2295 O GLN C 237 1.863 -5.250 3.666 1.00 44.14 O ATOM 2296 CB GLN C 237 3.497 -7.092 5.668 1.00 42.22 C ATOM 2297 CG GLN C 237 4.828 -7.256 4.954 1.00 4.34 C ATOM 2298 CD GLN C 237 5.350 -8.657 5.099 1.00 42.54 C ATOM 2299 OE1 GLN C 237 6.536 -8.895 5.069 1.00 2.43 O ATOM 2300 NE2 GLN C 237 4.469 -9.568 5.343 1.00 63.22 N ATOM 0 H GLN C 237 0.977 -6.252 5.932 1.00 50.03 H new ATOM 0 HA GLN C 237 3.629 -5.040 6.303 1.00 61.25 H new ATOM 0 HB2 GLN C 237 3.603 -7.477 6.682 1.00 42.22 H new ATOM 0 HB3 GLN C 237 2.759 -7.717 5.165 1.00 42.22 H new ATOM 0 HG2 GLN C 237 4.709 -7.016 3.897 1.00 4.34 H new ATOM 0 HG3 GLN C 237 5.552 -6.551 5.362 1.00 4.34 H new ATOM 0 HE21 GLN C 237 3.478 -9.328 5.360 1.00 63.22 H new ATOM 0 HE22 GLN C 237 4.764 -10.528 5.519 1.00 63.22 H new ATOM 2309 N ILE C 238 3.892 -4.391 4.033 1.00 74.02 N ATOM 2310 CA ILE C 238 3.988 -3.734 2.790 1.00 21.43 C ATOM 2311 C ILE C 238 4.922 -4.500 1.865 1.00 10.13 C ATOM 2312 O ILE C 238 6.040 -4.825 2.225 1.00 45.44 O ATOM 2313 CB ILE C 238 4.476 -2.291 2.991 1.00 73.24 C ATOM 2314 CG1 ILE C 238 3.460 -1.539 3.866 1.00 50.51 C ATOM 2315 CG2 ILE C 238 4.686 -1.599 1.659 1.00 64.15 C ATOM 2316 CD1 ILE C 238 3.775 -0.087 4.114 1.00 33.33 C ATOM 0 H ILE C 238 4.713 -4.272 4.627 1.00 74.02 H new ATOM 0 HA ILE C 238 3.002 -3.699 2.327 1.00 21.43 H new ATOM 0 HB ILE C 238 5.441 -2.299 3.497 1.00 73.24 H new ATOM 0 HG12 ILE C 238 2.480 -1.606 3.395 1.00 50.51 H new ATOM 0 HG13 ILE C 238 3.387 -2.047 4.827 1.00 50.51 H new ATOM 0 HG21 ILE C 238 5.031 -0.579 1.829 1.00 64.15 H new ATOM 0 HG22 ILE C 238 5.432 -2.143 1.080 1.00 64.15 H new ATOM 0 HG23 ILE C 238 3.746 -1.576 1.108 1.00 64.15 H new ATOM 0 HD11 ILE C 238 2.999 0.352 4.741 1.00 33.33 H new ATOM 0 HD12 ILE C 238 4.738 -0.005 4.618 1.00 33.33 H new ATOM 0 HD13 ILE C 238 3.817 0.444 3.163 1.00 33.33 H new ATOM 2328 N VAL C 239 4.440 -4.790 0.700 1.00 33.54 N ATOM 2329 CA VAL C 239 5.180 -5.495 -0.308 1.00 51.01 C ATOM 2330 C VAL C 239 5.492 -4.513 -1.422 1.00 24.44 C ATOM 2331 O VAL C 239 4.611 -3.740 -1.840 1.00 41.04 O ATOM 2332 CB VAL C 239 4.345 -6.674 -0.887 1.00 61.43 C ATOM 2333 CG1 VAL C 239 5.154 -7.503 -1.880 1.00 43.41 C ATOM 2334 CG2 VAL C 239 3.772 -7.548 0.223 1.00 35.31 C ATOM 0 H VAL C 239 3.495 -4.538 0.411 1.00 33.54 H new ATOM 0 HA VAL C 239 6.091 -5.905 0.127 1.00 51.01 H new ATOM 0 HB VAL C 239 3.507 -6.239 -1.432 1.00 61.43 H new ATOM 0 HG11 VAL C 239 4.537 -8.316 -2.262 1.00 43.41 H new ATOM 0 HG12 VAL C 239 5.473 -6.870 -2.708 1.00 43.41 H new ATOM 0 HG13 VAL C 239 6.030 -7.916 -1.380 1.00 43.41 H new ATOM 0 HG21 VAL C 239 3.195 -8.362 -0.216 1.00 35.31 H new ATOM 0 HG22 VAL C 239 4.587 -7.961 0.818 1.00 35.31 H new ATOM 0 HG23 VAL C 239 3.125 -6.947 0.862 1.00 35.31 H new ATOM 2344 N ALA C 240 6.698 -4.529 -1.908 1.00 53.41 N ATOM 2345 CA ALA C 240 7.122 -3.590 -2.912 1.00 30.14 C ATOM 2346 C ALA C 240 7.881 -4.273 -4.017 1.00 1.00 C ATOM 2347 O ALA C 240 8.576 -5.264 -3.797 1.00 70.33 O ATOM 2348 CB ALA C 240 7.983 -2.521 -2.294 1.00 13.52 C ATOM 0 H ALA C 240 7.418 -5.192 -1.622 1.00 53.41 H new ATOM 0 HA ALA C 240 6.228 -3.136 -3.340 1.00 30.14 H new ATOM 0 HB1 ALA C 240 8.297 -1.817 -3.064 1.00 13.52 H new ATOM 0 HB2 ALA C 240 7.414 -1.992 -1.529 1.00 13.52 H new ATOM 0 HB3 ALA C 240 8.862 -2.979 -1.840 1.00 13.52 H new ATOM 2354 N ARG C 241 7.724 -3.768 -5.207 1.00 44.30 N ATOM 2355 CA ARG C 241 8.479 -4.262 -6.316 1.00 31.34 C ATOM 2356 C ARG C 241 9.578 -3.296 -6.642 1.00 71.25 C ATOM 2357 O ARG C 241 9.340 -2.081 -6.745 1.00 42.44 O ATOM 2358 CB ARG C 241 7.616 -4.582 -7.549 1.00 31.43 C ATOM 2359 CG ARG C 241 6.732 -5.797 -7.367 1.00 41.53 C ATOM 2360 CD ARG C 241 6.010 -6.177 -8.651 1.00 21.35 C ATOM 2361 NE ARG C 241 5.383 -7.515 -8.552 1.00 43.41 N ATOM 2362 CZ ARG C 241 4.827 -8.176 -9.588 1.00 13.24 C ATOM 2363 NH1 ARG C 241 4.651 -7.564 -10.759 1.00 11.24 N ATOM 2364 NH2 ARG C 241 4.427 -9.442 -9.436 1.00 40.31 N ATOM 0 H ARG C 241 7.077 -3.012 -5.432 1.00 44.30 H new ATOM 0 HA ARG C 241 8.913 -5.217 -6.019 1.00 31.34 H new ATOM 0 HB2 ARG C 241 6.991 -3.719 -7.780 1.00 31.43 H new ATOM 0 HB3 ARG C 241 8.268 -4.742 -8.408 1.00 31.43 H new ATOM 0 HG2 ARG C 241 7.338 -6.638 -7.030 1.00 41.53 H new ATOM 0 HG3 ARG C 241 5.999 -5.598 -6.585 1.00 41.53 H new ATOM 0 HD2 ARG C 241 5.245 -5.432 -8.872 1.00 21.35 H new ATOM 0 HD3 ARG C 241 6.715 -6.166 -9.482 1.00 21.35 H new ATOM 0 HE ARG C 241 5.371 -7.968 -7.638 1.00 43.41 H new ATOM 0 HH11 ARG C 241 4.937 -6.592 -10.874 1.00 11.24 H new ATOM 0 HH12 ARG C 241 4.230 -8.068 -11.540 1.00 11.24 H new ATOM 0 HH21 ARG C 241 4.542 -9.909 -8.536 1.00 40.31 H new ATOM 0 HH22 ARG C 241 4.007 -9.942 -10.220 1.00 40.31 H new ATOM 2378 N LEU C 242 10.769 -3.824 -6.750 1.00 63.21 N ATOM 2379 CA LEU C 242 11.960 -3.053 -7.034 1.00 71.01 C ATOM 2380 C LEU C 242 11.903 -2.476 -8.428 1.00 42.32 C ATOM 2381 O LEU C 242 11.308 -3.073 -9.332 1.00 14.15 O ATOM 2382 CB LEU C 242 13.253 -3.884 -6.825 1.00 12.44 C ATOM 2383 CG LEU C 242 13.601 -4.330 -5.381 1.00 51.54 C ATOM 2384 CD1 LEU C 242 13.691 -3.145 -4.438 1.00 70.11 C ATOM 2385 CD2 LEU C 242 12.622 -5.355 -4.860 1.00 11.32 C ATOM 0 H LEU C 242 10.946 -4.823 -6.641 1.00 63.21 H new ATOM 0 HA LEU C 242 11.993 -2.228 -6.322 1.00 71.01 H new ATOM 0 HB2 LEU C 242 13.180 -4.779 -7.443 1.00 12.44 H new ATOM 0 HB3 LEU C 242 14.091 -3.301 -7.206 1.00 12.44 H new ATOM 0 HG LEU C 242 14.583 -4.801 -5.424 1.00 51.54 H new ATOM 0 HD11 LEU C 242 13.936 -3.496 -3.436 1.00 70.11 H new ATOM 0 HD12 LEU C 242 14.467 -2.463 -4.784 1.00 70.11 H new ATOM 0 HD13 LEU C 242 12.734 -2.624 -4.416 1.00 70.11 H new ATOM 0 HD21 LEU C 242 12.900 -5.642 -3.846 1.00 11.32 H new ATOM 0 HD22 LEU C 242 11.618 -4.930 -4.854 1.00 11.32 H new ATOM 0 HD23 LEU C 242 12.639 -6.235 -5.503 1.00 11.32 H new ATOM 2397 N LYS C 243 12.504 -1.316 -8.577 1.00 41.23 N ATOM 2398 CA LYS C 243 12.491 -0.550 -9.757 1.00 40.31 C ATOM 2399 C LYS C 243 13.068 -1.296 -10.939 1.00 62.31 C ATOM 2400 O LYS C 243 13.977 -2.125 -10.774 1.00 33.32 O ATOM 2401 CB LYS C 243 13.199 0.703 -9.431 1.00 73.51 C ATOM 2402 CG LYS C 243 12.983 1.828 -10.349 1.00 1.12 C ATOM 2403 CD LYS C 243 13.537 3.023 -9.680 1.00 22.10 C ATOM 2404 CE LYS C 243 13.457 4.269 -10.540 1.00 74.52 C ATOM 2405 NZ LYS C 243 14.209 4.141 -11.810 1.00 1.34 N ATOM 0 H LYS C 243 13.037 -0.878 -7.826 1.00 41.23 H new ATOM 0 HA LYS C 243 11.474 -0.330 -10.082 1.00 40.31 H new ATOM 0 HB2 LYS C 243 12.900 1.015 -8.430 1.00 73.51 H new ATOM 0 HB3 LYS C 243 14.268 0.492 -9.393 1.00 73.51 H new ATOM 0 HG2 LYS C 243 13.479 1.652 -11.303 1.00 1.12 H new ATOM 0 HG3 LYS C 243 11.922 1.958 -10.561 1.00 1.12 H new ATOM 0 HD2 LYS C 243 12.998 3.195 -8.749 1.00 22.10 H new ATOM 0 HD3 LYS C 243 14.578 2.836 -9.416 1.00 22.10 H new ATOM 0 HE2 LYS C 243 12.412 4.485 -10.762 1.00 74.52 H new ATOM 0 HE3 LYS C 243 13.845 5.118 -9.978 1.00 74.52 H new ATOM 0 HZ1 LYS C 243 14.277 5.072 -12.268 1.00 1.34 H new ATOM 0 HZ2 LYS C 243 15.165 3.781 -11.613 1.00 1.34 H new ATOM 0 HZ3 LYS C 243 13.714 3.480 -12.442 1.00 1.34 H new ATOM 2461 N ARG C 247 12.903 -8.042 -8.960 1.00 43.43 N ATOM 2462 CA ARG C 247 12.109 -8.923 -8.135 1.00 53.32 C ATOM 2463 C ARG C 247 11.186 -8.132 -7.225 1.00 54.51 C ATOM 2464 O ARG C 247 11.131 -6.891 -7.277 1.00 1.33 O ATOM 2465 CB ARG C 247 12.977 -9.850 -7.282 1.00 75.52 C ATOM 2466 CG ARG C 247 13.893 -9.156 -6.304 1.00 53.23 C ATOM 2467 CD ARG C 247 14.499 -10.161 -5.348 1.00 21.25 C ATOM 2468 NE ARG C 247 13.483 -10.746 -4.430 1.00 12.24 N ATOM 2469 CZ ARG C 247 13.700 -11.095 -3.140 1.00 45.11 C ATOM 2470 NH1 ARG C 247 14.920 -11.012 -2.614 1.00 33.41 N ATOM 2471 NH2 ARG C 247 12.700 -11.538 -2.390 1.00 74.40 N ATOM 0 HA ARG C 247 11.517 -9.534 -8.817 1.00 53.32 H new ATOM 0 HB2 ARG C 247 12.324 -10.524 -6.728 1.00 75.52 H new ATOM 0 HB3 ARG C 247 13.582 -10.467 -7.946 1.00 75.52 H new ATOM 0 HG2 ARG C 247 14.684 -8.634 -6.843 1.00 53.23 H new ATOM 0 HG3 ARG C 247 13.337 -8.403 -5.746 1.00 53.23 H new ATOM 0 HD2 ARG C 247 14.975 -10.960 -5.917 1.00 21.25 H new ATOM 0 HD3 ARG C 247 15.280 -9.677 -4.762 1.00 21.25 H new ATOM 0 HE ARG C 247 12.546 -10.896 -4.804 1.00 12.24 H new ATOM 0 HH11 ARG C 247 15.700 -10.684 -3.184 1.00 33.41 H new ATOM 0 HH12 ARG C 247 15.075 -11.277 -1.641 1.00 33.41 H new ATOM 0 HH21 ARG C 247 11.763 -11.617 -2.785 1.00 74.40 H new ATOM 0 HH22 ARG C 247 12.868 -11.800 -1.419 1.00 74.40 H new ATOM 2485 N GLN C 248 10.472 -8.835 -6.394 1.00 31.34 N ATOM 2486 CA GLN C 248 9.597 -8.216 -5.464 1.00 61.41 C ATOM 2487 C GLN C 248 9.989 -8.647 -4.068 1.00 44.43 C ATOM 2488 O GLN C 248 10.421 -9.788 -3.865 1.00 24.32 O ATOM 2489 CB GLN C 248 8.145 -8.577 -5.775 1.00 73.30 C ATOM 2490 CG GLN C 248 7.792 -10.038 -5.593 1.00 41.22 C ATOM 2491 CD GLN C 248 6.380 -10.344 -6.037 1.00 4.32 C ATOM 2492 OE1 GLN C 248 5.494 -9.488 -5.989 1.00 54.11 O ATOM 2493 NE2 GLN C 248 6.155 -11.555 -6.465 1.00 12.12 N ATOM 0 H GLN C 248 10.486 -9.854 -6.349 1.00 31.34 H new ATOM 0 HA GLN C 248 9.681 -7.132 -5.536 1.00 61.41 H new ATOM 0 HB2 GLN C 248 7.494 -7.980 -5.136 1.00 73.30 H new ATOM 0 HB3 GLN C 248 7.929 -8.293 -6.805 1.00 73.30 H new ATOM 0 HG2 GLN C 248 8.491 -10.652 -6.161 1.00 41.22 H new ATOM 0 HG3 GLN C 248 7.908 -10.310 -4.544 1.00 41.22 H new ATOM 0 HE21 GLN C 248 6.914 -12.236 -6.490 1.00 12.12 H new ATOM 0 HE22 GLN C 248 5.220 -11.821 -6.775 1.00 12.12 H new ATOM 2502 N VAL C 249 9.891 -7.748 -3.138 1.00 33.11 N ATOM 2503 CA VAL C 249 10.231 -8.028 -1.767 1.00 54.14 C ATOM 2504 C VAL C 249 9.170 -7.486 -0.868 1.00 0.51 C ATOM 2505 O VAL C 249 8.406 -6.588 -1.252 1.00 61.23 O ATOM 2506 CB VAL C 249 11.629 -7.448 -1.302 1.00 61.33 C ATOM 2507 CG1 VAL C 249 12.780 -7.975 -2.129 1.00 63.12 C ATOM 2508 CG2 VAL C 249 11.654 -5.923 -1.251 1.00 13.43 C ATOM 0 H VAL C 249 9.572 -6.793 -3.304 1.00 33.11 H new ATOM 0 HA VAL C 249 10.306 -9.113 -1.701 1.00 54.14 H new ATOM 0 HB VAL C 249 11.762 -7.808 -0.282 1.00 61.33 H new ATOM 0 HG11 VAL C 249 13.714 -7.545 -1.768 1.00 63.12 H new ATOM 0 HG12 VAL C 249 12.823 -9.061 -2.043 1.00 63.12 H new ATOM 0 HG13 VAL C 249 12.634 -7.699 -3.173 1.00 63.12 H new ATOM 0 HG21 VAL C 249 12.638 -5.586 -0.926 1.00 13.43 H new ATOM 0 HG22 VAL C 249 11.443 -5.522 -2.242 1.00 13.43 H new ATOM 0 HG23 VAL C 249 10.899 -5.570 -0.548 1.00 13.43 H new ATOM 2518 N CYS C 250 9.098 -8.008 0.282 1.00 3.33 N ATOM 2519 CA CYS C 250 8.229 -7.478 1.253 1.00 62.41 C ATOM 2520 C CYS C 250 9.090 -6.676 2.142 1.00 41.12 C ATOM 2521 O CYS C 250 10.210 -7.054 2.402 1.00 55.10 O ATOM 2522 CB CYS C 250 7.504 -8.578 2.018 1.00 51.44 C ATOM 2523 SG CYS C 250 6.410 -9.604 0.982 1.00 43.11 S ATOM 0 H CYS C 250 9.639 -8.818 0.585 1.00 3.33 H new ATOM 0 HA CYS C 250 7.441 -6.875 0.802 1.00 62.41 H new ATOM 0 HB2 CYS C 250 8.243 -9.221 2.496 1.00 51.44 H new ATOM 0 HB3 CYS C 250 6.913 -8.124 2.814 1.00 51.44 H new ATOM 2528 N ILE C 251 8.622 -5.560 2.539 1.00 63.32 N ATOM 2529 CA ILE C 251 9.400 -4.641 3.283 1.00 55.13 C ATOM 2530 C ILE C 251 8.968 -4.630 4.710 1.00 32.22 C ATOM 2531 O ILE C 251 7.792 -4.872 5.005 1.00 34.41 O ATOM 2532 CB ILE C 251 9.243 -3.227 2.672 1.00 51.32 C ATOM 2533 CG1 ILE C 251 9.743 -3.235 1.239 1.00 13.34 C ATOM 2534 CG2 ILE C 251 9.965 -2.168 3.483 1.00 12.21 C ATOM 2535 CD1 ILE C 251 9.644 -1.906 0.567 1.00 64.11 C ATOM 0 H ILE C 251 7.668 -5.248 2.355 1.00 63.32 H new ATOM 0 HA ILE C 251 10.447 -4.943 3.242 1.00 55.13 H new ATOM 0 HB ILE C 251 8.184 -2.970 2.689 1.00 51.32 H new ATOM 0 HG12 ILE C 251 10.782 -3.563 1.227 1.00 13.34 H new ATOM 0 HG13 ILE C 251 9.171 -3.966 0.667 1.00 13.34 H new ATOM 0 HG21 ILE C 251 9.826 -1.194 3.015 1.00 12.21 H new ATOM 0 HG22 ILE C 251 9.560 -2.146 4.495 1.00 12.21 H new ATOM 0 HG23 ILE C 251 11.029 -2.403 3.523 1.00 12.21 H new ATOM 0 HD11 ILE C 251 10.019 -1.986 -0.454 1.00 64.11 H new ATOM 0 HD12 ILE C 251 8.603 -1.585 0.547 1.00 64.11 H new ATOM 0 HD13 ILE C 251 10.239 -1.176 1.116 1.00 64.11 H new ATOM 2547 N ASP C 252 9.926 -4.394 5.588 1.00 31.44 N ATOM 2548 CA ASP C 252 9.677 -4.234 6.990 1.00 34.34 C ATOM 2549 C ASP C 252 8.828 -2.969 7.157 1.00 75.43 C ATOM 2550 O ASP C 252 9.307 -1.853 6.909 1.00 44.11 O ATOM 2551 CB ASP C 252 11.016 -4.082 7.742 1.00 33.40 C ATOM 2552 CG ASP C 252 10.862 -4.048 9.244 1.00 62.32 C ATOM 2553 OD1 ASP C 252 10.294 -3.090 9.775 1.00 42.10 O ATOM 2554 OD2 ASP C 252 11.327 -4.985 9.929 1.00 45.10 O ATOM 0 H ASP C 252 10.910 -4.309 5.333 1.00 31.44 H new ATOM 0 HA ASP C 252 9.157 -5.101 7.398 1.00 34.34 H new ATOM 0 HB2 ASP C 252 11.672 -4.909 7.470 1.00 33.40 H new ATOM 0 HB3 ASP C 252 11.506 -3.165 7.414 1.00 33.40 H new ATOM 2559 N PRO C 253 7.547 -3.121 7.545 1.00 22.41 N ATOM 2560 CA PRO C 253 6.610 -1.991 7.660 1.00 42.25 C ATOM 2561 C PRO C 253 6.954 -1.013 8.800 1.00 54.04 C ATOM 2562 O PRO C 253 6.220 -0.069 9.068 1.00 51.34 O ATOM 2563 CB PRO C 253 5.245 -2.666 7.893 1.00 62.03 C ATOM 2564 CG PRO C 253 5.548 -4.057 8.371 1.00 35.30 C ATOM 2565 CD PRO C 253 6.912 -4.414 7.866 1.00 51.12 C ATOM 0 HA PRO C 253 6.639 -1.365 6.768 1.00 42.25 H new ATOM 0 HB2 PRO C 253 4.660 -2.118 8.632 1.00 62.03 H new ATOM 0 HB3 PRO C 253 4.659 -2.688 6.974 1.00 62.03 H new ATOM 0 HG2 PRO C 253 5.517 -4.105 9.460 1.00 35.30 H new ATOM 0 HG3 PRO C 253 4.804 -4.762 7.999 1.00 35.30 H new ATOM 0 HD2 PRO C 253 7.482 -4.958 8.619 1.00 51.12 H new ATOM 0 HD3 PRO C 253 6.853 -5.055 6.986 1.00 51.12 H new ATOM 2573 N LYS C 254 8.071 -1.239 9.440 1.00 70.21 N ATOM 2574 CA LYS C 254 8.522 -0.436 10.533 1.00 5.43 C ATOM 2575 C LYS C 254 9.718 0.440 10.133 1.00 41.13 C ATOM 2576 O LYS C 254 10.246 1.185 10.961 1.00 51.11 O ATOM 2577 CB LYS C 254 8.864 -1.361 11.683 1.00 20.41 C ATOM 2578 CG LYS C 254 7.659 -2.079 12.233 1.00 51.32 C ATOM 2579 CD LYS C 254 8.014 -3.098 13.313 1.00 23.12 C ATOM 2580 CE LYS C 254 8.656 -4.368 12.759 1.00 31.23 C ATOM 2581 NZ LYS C 254 10.002 -4.191 12.186 1.00 11.32 N ATOM 0 H LYS C 254 8.703 -2.005 9.206 1.00 70.21 H new ATOM 0 HA LYS C 254 7.734 0.253 10.837 1.00 5.43 H new ATOM 0 HB2 LYS C 254 9.597 -2.095 11.347 1.00 20.41 H new ATOM 0 HB3 LYS C 254 9.333 -0.784 12.480 1.00 20.41 H new ATOM 0 HG2 LYS C 254 6.964 -1.348 12.646 1.00 51.32 H new ATOM 0 HG3 LYS C 254 7.142 -2.586 11.418 1.00 51.32 H new ATOM 0 HD2 LYS C 254 8.696 -2.637 14.028 1.00 23.12 H new ATOM 0 HD3 LYS C 254 7.111 -3.365 13.861 1.00 23.12 H new ATOM 0 HE2 LYS C 254 8.713 -5.106 13.559 1.00 31.23 H new ATOM 0 HE3 LYS C 254 8.003 -4.781 11.990 1.00 31.23 H new ATOM 0 HZ1 LYS C 254 10.354 -5.105 11.837 1.00 11.32 H new ATOM 0 HZ2 LYS C 254 9.958 -3.514 11.398 1.00 11.32 H new ATOM 0 HZ3 LYS C 254 10.646 -3.829 12.918 1.00 11.32 H new ATOM 2595 N LEU C 255 10.143 0.349 8.866 1.00 1.42 N ATOM 2596 CA LEU C 255 11.216 1.187 8.352 1.00 60.24 C ATOM 2597 C LEU C 255 10.860 2.659 8.392 1.00 3.23 C ATOM 2598 O LEU C 255 9.739 3.038 8.071 1.00 12.31 O ATOM 2599 CB LEU C 255 11.573 0.798 6.932 1.00 61.14 C ATOM 2600 CG LEU C 255 12.383 -0.469 6.749 1.00 60.33 C ATOM 2601 CD1 LEU C 255 12.510 -0.773 5.288 1.00 44.34 C ATOM 2602 CD2 LEU C 255 13.765 -0.278 7.322 1.00 42.42 C ATOM 0 H LEU C 255 9.754 -0.301 8.182 1.00 1.42 H new ATOM 0 HA LEU C 255 12.075 1.025 9.003 1.00 60.24 H new ATOM 0 HB2 LEU C 255 10.647 0.693 6.367 1.00 61.14 H new ATOM 0 HB3 LEU C 255 12.128 1.622 6.484 1.00 61.14 H new ATOM 0 HG LEU C 255 11.880 -1.289 7.261 1.00 60.33 H new ATOM 0 HD11 LEU C 255 13.093 -1.685 5.155 1.00 44.34 H new ATOM 0 HD12 LEU C 255 11.518 -0.911 4.857 1.00 44.34 H new ATOM 0 HD13 LEU C 255 13.012 0.055 4.786 1.00 44.34 H new ATOM 0 HD21 LEU C 255 14.344 -1.192 7.188 1.00 42.42 H new ATOM 0 HD22 LEU C 255 14.262 0.545 6.808 1.00 42.42 H new ATOM 0 HD23 LEU C 255 13.690 -0.049 8.385 1.00 42.42 H new ATOM 2614 N LYS C 256 11.840 3.472 8.763 1.00 61.44 N ATOM 2615 CA LYS C 256 11.705 4.923 8.879 1.00 45.34 C ATOM 2616 C LYS C 256 11.067 5.565 7.644 1.00 31.12 C ATOM 2617 O LYS C 256 10.140 6.346 7.774 1.00 24.35 O ATOM 2618 CB LYS C 256 13.078 5.561 9.179 1.00 1.34 C ATOM 2619 CG LYS C 256 13.078 7.090 9.243 1.00 40.22 C ATOM 2620 CD LYS C 256 12.156 7.627 10.329 1.00 3.04 C ATOM 2621 CE LYS C 256 12.159 9.142 10.329 1.00 51.21 C ATOM 2622 NZ LYS C 256 11.272 9.714 11.367 1.00 20.13 N ATOM 0 H LYS C 256 12.774 3.136 8.998 1.00 61.44 H new ATOM 0 HA LYS C 256 11.026 5.115 9.710 1.00 45.34 H new ATOM 0 HB2 LYS C 256 13.443 5.172 10.130 1.00 1.34 H new ATOM 0 HB3 LYS C 256 13.785 5.244 8.412 1.00 1.34 H new ATOM 0 HG2 LYS C 256 14.093 7.443 9.425 1.00 40.22 H new ATOM 0 HG3 LYS C 256 12.769 7.491 8.278 1.00 40.22 H new ATOM 0 HD2 LYS C 256 11.142 7.260 10.168 1.00 3.04 H new ATOM 0 HD3 LYS C 256 12.478 7.257 11.303 1.00 3.04 H new ATOM 0 HE2 LYS C 256 13.176 9.499 10.489 1.00 51.21 H new ATOM 0 HE3 LYS C 256 11.845 9.502 9.349 1.00 51.21 H new ATOM 0 HZ1 LYS C 256 10.457 10.173 10.913 1.00 20.13 H new ATOM 0 HZ2 LYS C 256 10.936 8.955 11.994 1.00 20.13 H new ATOM 0 HZ3 LYS C 256 11.798 10.416 11.925 1.00 20.13 H new ATOM 2636 N TRP C 257 11.542 5.221 6.457 1.00 1.12 N ATOM 2637 CA TRP C 257 10.986 5.819 5.252 1.00 75.41 C ATOM 2638 C TRP C 257 9.562 5.330 4.981 1.00 60.14 C ATOM 2639 O TRP C 257 8.776 6.024 4.352 1.00 72.42 O ATOM 2640 CB TRP C 257 11.904 5.685 4.029 1.00 74.41 C ATOM 2641 CG TRP C 257 12.169 4.295 3.549 1.00 51.12 C ATOM 2642 CD1 TRP C 257 13.175 3.461 3.939 1.00 65.00 C ATOM 2643 CD2 TRP C 257 11.428 3.591 2.551 1.00 35.43 C ATOM 2644 NE1 TRP C 257 13.098 2.285 3.241 1.00 64.35 N ATOM 2645 CE2 TRP C 257 12.033 2.341 2.388 1.00 55.35 C ATOM 2646 CE3 TRP C 257 10.307 3.904 1.783 1.00 20.32 C ATOM 2647 CZ2 TRP C 257 11.559 1.405 1.489 1.00 72.25 C ATOM 2648 CZ3 TRP C 257 9.836 2.969 0.885 1.00 51.22 C ATOM 2649 CH2 TRP C 257 10.463 1.732 0.746 1.00 3.32 C ATOM 0 H TRP C 257 12.293 4.548 6.302 1.00 1.12 H new ATOM 0 HA TRP C 257 10.922 6.890 5.443 1.00 75.41 H new ATOM 0 HB2 TRP C 257 11.465 6.253 3.208 1.00 74.41 H new ATOM 0 HB3 TRP C 257 12.859 6.153 4.266 1.00 74.41 H new ATOM 0 HD1 TRP C 257 13.920 3.693 4.686 1.00 65.00 H new ATOM 0 HE1 TRP C 257 13.734 1.494 3.342 1.00 64.35 H new ATOM 0 HE3 TRP C 257 9.817 4.860 1.889 1.00 20.32 H new ATOM 0 HZ2 TRP C 257 12.041 0.445 1.378 1.00 72.25 H new ATOM 0 HZ3 TRP C 257 8.970 3.198 0.282 1.00 51.22 H new ATOM 0 HH2 TRP C 257 10.073 1.018 0.036 1.00 3.32 H new ATOM 2660 N ILE C 258 9.242 4.130 5.458 1.00 33.12 N ATOM 2661 CA ILE C 258 7.881 3.610 5.376 1.00 41.43 C ATOM 2662 C ILE C 258 6.993 4.420 6.319 1.00 34.11 C ATOM 2663 O ILE C 258 5.873 4.802 5.963 1.00 65.13 O ATOM 2664 CB ILE C 258 7.810 2.090 5.750 1.00 35.02 C ATOM 2665 CG1 ILE C 258 8.541 1.220 4.705 1.00 20.35 C ATOM 2666 CG2 ILE C 258 6.370 1.625 5.935 1.00 42.33 C ATOM 2667 CD1 ILE C 258 7.937 1.270 3.321 1.00 21.41 C ATOM 0 H ILE C 258 9.907 3.500 5.905 1.00 33.12 H new ATOM 0 HA ILE C 258 7.536 3.704 4.347 1.00 41.43 H new ATOM 0 HB ILE C 258 8.322 1.968 6.705 1.00 35.02 H new ATOM 0 HG12 ILE C 258 9.581 1.541 4.646 1.00 20.35 H new ATOM 0 HG13 ILE C 258 8.545 0.186 5.050 1.00 20.35 H new ATOM 0 HG21 ILE C 258 6.360 0.566 6.194 1.00 42.33 H new ATOM 0 HG22 ILE C 258 5.902 2.198 6.735 1.00 42.33 H new ATOM 0 HG23 ILE C 258 5.817 1.777 5.008 1.00 42.33 H new ATOM 0 HD11 ILE C 258 8.511 0.631 2.650 1.00 21.41 H new ATOM 0 HD12 ILE C 258 6.906 0.920 3.361 1.00 21.41 H new ATOM 0 HD13 ILE C 258 7.958 2.295 2.952 1.00 21.41 H new ATOM 2679 N GLN C 259 7.529 4.700 7.506 1.00 42.30 N ATOM 2680 CA GLN C 259 6.846 5.516 8.511 1.00 22.41 C ATOM 2681 C GLN C 259 6.541 6.893 7.896 1.00 34.32 C ATOM 2682 O GLN C 259 5.394 7.344 7.888 1.00 23.20 O ATOM 2683 CB GLN C 259 7.771 5.706 9.730 1.00 62.23 C ATOM 2684 CG GLN C 259 8.281 4.417 10.374 1.00 30.31 C ATOM 2685 CD GLN C 259 7.204 3.584 11.017 1.00 33.23 C ATOM 2686 OE1 GLN C 259 6.611 2.688 10.270 1.00 73.45 O flip ATOM 2687 NE2 GLN C 259 6.921 3.747 12.198 1.00 1.33 N flip ATOM 0 H GLN C 259 8.448 4.368 7.799 1.00 42.30 H new ATOM 0 HA GLN C 259 5.924 5.027 8.825 1.00 22.41 H new ATOM 0 HB2 GLN C 259 8.630 6.303 9.423 1.00 62.23 H new ATOM 0 HB3 GLN C 259 7.235 6.282 10.485 1.00 62.23 H new ATOM 0 HG2 GLN C 259 8.784 3.818 9.615 1.00 30.31 H new ATOM 0 HG3 GLN C 259 9.028 4.670 11.127 1.00 30.31 H new ATOM 0 HE21 GLN C 259 7.407 4.457 12.746 1.00 1.33 H new ATOM 0 HE22 GLN C 259 6.199 3.173 12.633 1.00 1.33 H new ATOM 2696 N GLU C 260 7.588 7.511 7.324 1.00 31.41 N ATOM 2697 CA GLU C 260 7.503 8.801 6.642 1.00 21.41 C ATOM 2698 C GLU C 260 6.461 8.758 5.534 1.00 33.31 C ATOM 2699 O GLU C 260 5.676 9.698 5.367 1.00 45.43 O ATOM 2700 CB GLU C 260 8.855 9.120 5.989 1.00 12.34 C ATOM 2701 CG GLU C 260 10.017 9.348 6.935 1.00 3.33 C ATOM 2702 CD GLU C 260 9.890 10.621 7.712 1.00 64.32 C ATOM 2703 OE1 GLU C 260 10.267 11.680 7.183 1.00 50.01 O ATOM 2704 OE2 GLU C 260 9.438 10.585 8.863 1.00 15.04 O ATOM 0 H GLU C 260 8.529 7.117 7.326 1.00 31.41 H new ATOM 0 HA GLU C 260 7.230 9.556 7.380 1.00 21.41 H new ATOM 0 HB2 GLU C 260 9.114 8.300 5.319 1.00 12.34 H new ATOM 0 HB3 GLU C 260 8.736 10.010 5.372 1.00 12.34 H new ATOM 0 HG2 GLU C 260 10.085 8.510 7.628 1.00 3.33 H new ATOM 0 HG3 GLU C 260 10.946 9.367 6.365 1.00 3.33 H new ATOM 2711 N TYR C 261 6.481 7.676 4.779 1.00 75.42 N ATOM 2712 CA TYR C 261 5.605 7.490 3.642 1.00 22.10 C ATOM 2713 C TYR C 261 4.153 7.518 4.081 1.00 62.51 C ATOM 2714 O TYR C 261 3.372 8.319 3.580 1.00 71.33 O ATOM 2715 CB TYR C 261 5.925 6.144 2.962 1.00 44.23 C ATOM 2716 CG TYR C 261 5.220 5.889 1.642 1.00 13.11 C ATOM 2717 CD1 TYR C 261 3.951 5.315 1.580 1.00 60.14 C ATOM 2718 CD2 TYR C 261 5.840 6.212 0.450 1.00 13.13 C ATOM 2719 CE1 TYR C 261 3.340 5.080 0.374 1.00 0.32 C ATOM 2720 CE2 TYR C 261 5.233 5.976 -0.759 1.00 40.43 C ATOM 2721 CZ TYR C 261 3.987 5.412 -0.793 1.00 44.13 C ATOM 2722 OH TYR C 261 3.385 5.176 -1.998 1.00 62.01 O ATOM 0 H TYR C 261 7.114 6.893 4.941 1.00 75.42 H new ATOM 0 HA TYR C 261 5.766 8.302 2.933 1.00 22.10 H new ATOM 0 HB2 TYR C 261 7.001 6.089 2.795 1.00 44.23 H new ATOM 0 HB3 TYR C 261 5.668 5.340 3.651 1.00 44.23 H new ATOM 0 HD1 TYR C 261 3.441 5.051 2.495 1.00 60.14 H new ATOM 0 HD2 TYR C 261 6.823 6.660 0.470 1.00 13.13 H new ATOM 0 HE1 TYR C 261 2.356 4.636 0.342 1.00 0.32 H new ATOM 0 HE2 TYR C 261 5.737 6.234 -1.679 1.00 40.43 H new ATOM 0 HH TYR C 261 4.008 4.701 -2.587 1.00 62.01 H new ATOM 2732 N LEU C 262 3.817 6.681 5.044 1.00 22.11 N ATOM 2733 CA LEU C 262 2.443 6.542 5.511 1.00 75.12 C ATOM 2734 C LEU C 262 1.962 7.803 6.196 1.00 62.23 C ATOM 2735 O LEU C 262 0.853 8.278 5.913 1.00 44.21 O ATOM 2736 CB LEU C 262 2.319 5.350 6.441 1.00 52.03 C ATOM 2737 CG LEU C 262 2.731 4.007 5.846 1.00 64.50 C ATOM 2738 CD1 LEU C 262 2.638 2.909 6.892 1.00 11.32 C ATOM 2739 CD2 LEU C 262 1.887 3.660 4.626 1.00 22.31 C ATOM 0 H LEU C 262 4.484 6.078 5.526 1.00 22.11 H new ATOM 0 HA LEU C 262 1.809 6.375 4.640 1.00 75.12 H new ATOM 0 HB2 LEU C 262 2.927 5.537 7.326 1.00 52.03 H new ATOM 0 HB3 LEU C 262 1.284 5.278 6.775 1.00 52.03 H new ATOM 0 HG LEU C 262 3.768 4.089 5.521 1.00 64.50 H new ATOM 0 HD11 LEU C 262 2.936 1.959 6.449 1.00 11.32 H new ATOM 0 HD12 LEU C 262 3.300 3.144 7.726 1.00 11.32 H new ATOM 0 HD13 LEU C 262 1.612 2.836 7.252 1.00 11.32 H new ATOM 0 HD21 LEU C 262 2.205 2.698 4.225 1.00 22.31 H new ATOM 0 HD22 LEU C 262 0.837 3.604 4.914 1.00 22.31 H new ATOM 0 HD23 LEU C 262 2.014 4.430 3.865 1.00 22.31 H new ATOM 2751 N GLU C 263 2.801 8.358 7.076 1.00 44.24 N ATOM 2752 CA GLU C 263 2.465 9.611 7.778 1.00 64.12 C ATOM 2753 C GLU C 263 2.054 10.745 6.820 1.00 43.54 C ATOM 2754 O GLU C 263 1.073 11.459 7.083 1.00 4.32 O ATOM 2755 CB GLU C 263 3.608 10.098 8.685 1.00 24.34 C ATOM 2756 CG GLU C 263 3.892 9.226 9.890 1.00 34.30 C ATOM 2757 CD GLU C 263 4.879 9.881 10.825 1.00 72.31 C ATOM 2758 OE1 GLU C 263 6.101 9.686 10.670 1.00 42.10 O ATOM 2759 OE2 GLU C 263 4.443 10.626 11.726 1.00 71.03 O ATOM 0 H GLU C 263 3.711 7.968 7.321 1.00 44.24 H new ATOM 0 HA GLU C 263 1.605 9.362 8.399 1.00 64.12 H new ATOM 0 HB2 GLU C 263 4.517 10.172 8.088 1.00 24.34 H new ATOM 0 HB3 GLU C 263 3.371 11.104 9.032 1.00 24.34 H new ATOM 0 HG2 GLU C 263 2.962 9.025 10.423 1.00 34.30 H new ATOM 0 HG3 GLU C 263 4.285 8.264 9.560 1.00 34.30 H new ATOM 2766 N LYS C 264 2.774 10.917 5.721 1.00 33.42 N ATOM 2767 CA LYS C 264 2.427 11.977 4.802 1.00 31.14 C ATOM 2768 C LYS C 264 1.388 11.570 3.772 1.00 64.14 C ATOM 2769 O LYS C 264 0.546 12.370 3.410 1.00 73.44 O ATOM 2770 CB LYS C 264 3.626 12.587 4.155 1.00 73.30 C ATOM 2771 CG LYS C 264 4.447 11.681 3.303 1.00 40.32 C ATOM 2772 CD LYS C 264 5.526 12.475 2.664 1.00 44.54 C ATOM 2773 CE LYS C 264 6.507 13.039 3.683 1.00 3.13 C ATOM 2774 NZ LYS C 264 7.177 11.980 4.468 1.00 10.44 N ATOM 0 H LYS C 264 3.579 10.351 5.453 1.00 33.42 H new ATOM 0 HA LYS C 264 1.961 12.746 5.419 1.00 31.14 H new ATOM 0 HB2 LYS C 264 3.295 13.426 3.543 1.00 73.30 H new ATOM 0 HB3 LYS C 264 4.266 12.996 4.937 1.00 73.30 H new ATOM 0 HG2 LYS C 264 4.874 10.880 3.906 1.00 40.32 H new ATOM 0 HG3 LYS C 264 3.824 11.210 2.543 1.00 40.32 H new ATOM 0 HD2 LYS C 264 6.064 11.848 1.953 1.00 44.54 H new ATOM 0 HD3 LYS C 264 5.084 13.294 2.096 1.00 44.54 H new ATOM 0 HE2 LYS C 264 7.259 13.636 3.167 1.00 3.13 H new ATOM 0 HE3 LYS C 264 5.978 13.709 4.360 1.00 3.13 H new ATOM 0 HZ1 LYS C 264 7.883 12.410 5.099 1.00 10.44 H new ATOM 0 HZ2 LYS C 264 6.471 11.469 5.035 1.00 10.44 H new ATOM 0 HZ3 LYS C 264 7.649 11.315 3.822 1.00 10.44 H new ATOM 2788 N CYS C 265 1.435 10.317 3.324 1.00 54.54 N ATOM 2789 CA CYS C 265 0.471 9.769 2.332 1.00 34.21 C ATOM 2790 C CYS C 265 -0.962 9.976 2.817 1.00 73.33 C ATOM 2791 O CYS C 265 -1.868 10.238 2.034 1.00 72.25 O ATOM 2792 CB CYS C 265 0.749 8.261 2.107 1.00 42.32 C ATOM 2793 SG CYS C 265 -0.345 7.396 0.919 1.00 53.22 S ATOM 0 H CYS C 265 2.136 9.642 3.629 1.00 54.54 H new ATOM 0 HA CYS C 265 0.596 10.297 1.387 1.00 34.21 H new ATOM 0 HB2 CYS C 265 1.778 8.151 1.765 1.00 42.32 H new ATOM 0 HB3 CYS C 265 0.677 7.754 3.069 1.00 42.32 H new ATOM 2798 N LEU C 266 -1.110 9.916 4.132 1.00 23.23 N ATOM 2799 CA LEU C 266 -2.355 10.065 4.840 1.00 4.31 C ATOM 2800 C LEU C 266 -3.027 11.432 4.494 1.00 4.10 C ATOM 2801 O LEU C 266 -4.252 11.533 4.406 1.00 24.42 O ATOM 2802 CB LEU C 266 -2.004 9.965 6.355 1.00 34.13 C ATOM 2803 CG LEU C 266 -3.119 9.704 7.388 1.00 22.44 C ATOM 2804 CD1 LEU C 266 -4.109 10.816 7.480 1.00 74.33 C ATOM 2805 CD2 LEU C 266 -3.816 8.415 7.087 1.00 32.24 C ATOM 0 H LEU C 266 -0.321 9.754 4.757 1.00 23.23 H new ATOM 0 HA LEU C 266 -3.073 9.295 4.558 1.00 4.31 H new ATOM 0 HB2 LEU C 266 -1.267 9.170 6.465 1.00 34.13 H new ATOM 0 HB3 LEU C 266 -1.513 10.896 6.636 1.00 34.13 H new ATOM 0 HG LEU C 266 -2.631 9.640 8.360 1.00 22.44 H new ATOM 0 HD11 LEU C 266 -4.866 10.569 8.224 1.00 74.33 H new ATOM 0 HD12 LEU C 266 -3.599 11.734 7.772 1.00 74.33 H new ATOM 0 HD13 LEU C 266 -4.587 10.959 6.511 1.00 74.33 H new ATOM 0 HD21 LEU C 266 -4.600 8.245 7.825 1.00 32.24 H new ATOM 0 HD22 LEU C 266 -4.258 8.464 6.092 1.00 32.24 H new ATOM 0 HD23 LEU C 266 -3.098 7.596 7.125 1.00 32.24 H new ATOM 2817 N ASN C 267 -2.215 12.464 4.271 1.00 53.42 N ATOM 2818 CA ASN C 267 -2.744 13.810 4.010 1.00 32.11 C ATOM 2819 C ASN C 267 -2.287 14.362 2.667 1.00 52.33 C ATOM 2820 O ASN C 267 -2.529 15.533 2.361 1.00 53.44 O ATOM 2821 CB ASN C 267 -2.337 14.798 5.120 1.00 65.41 C ATOM 2822 CG ASN C 267 -2.936 14.499 6.486 1.00 71.54 C ATOM 2823 OD1 ASN C 267 -4.128 13.943 6.520 1.00 64.25 O flip ATOM 2824 ND2 ASN C 267 -2.318 14.782 7.518 1.00 53.15 N flip ATOM 0 H ASN C 267 -1.197 12.400 4.265 1.00 53.42 H new ATOM 0 HA ASN C 267 -3.829 13.707 3.991 1.00 32.11 H new ATOM 0 HB2 ASN C 267 -1.250 14.799 5.207 1.00 65.41 H new ATOM 0 HB3 ASN C 267 -2.634 15.803 4.820 1.00 65.41 H new ATOM 0 HD21 ASN C 267 -1.395 15.213 7.458 1.00 53.15 H new ATOM 0 HD22 ASN C 267 -2.731 14.585 8.430 1.00 53.15 H new ATOM 3120 N GLY D 319 15.436 -14.862 3.614 1.00 44.30 N ATOM 3121 CA GLY D 319 16.151 -14.103 4.651 1.00 3.52 C ATOM 3122 C GLY D 319 16.482 -12.770 4.111 1.00 1.34 C ATOM 3123 O GLY D 319 17.583 -12.242 4.288 1.00 30.31 O ATOM 0 HA2 GLY D 319 15.533 -14.007 5.544 1.00 3.52 H new ATOM 0 HA3 GLY D 319 17.059 -14.628 4.946 1.00 3.52 H new ATOM 3127 N ASP D 320 15.501 -12.264 3.441 1.00 1.11 N ATOM 3128 CA ASP D 320 15.494 -11.055 2.673 1.00 2.51 C ATOM 3129 C ASP D 320 16.118 -9.858 3.348 1.00 60.22 C ATOM 3130 O ASP D 320 15.494 -9.205 4.184 1.00 34.13 O ATOM 3131 CB ASP D 320 14.063 -10.774 2.274 1.00 43.41 C ATOM 3132 CG ASP D 320 13.507 -11.886 1.395 1.00 43.42 C ATOM 3133 OD1 ASP D 320 13.112 -12.956 1.963 1.00 1.35 O ATOM 3134 OD2 ASP D 320 13.498 -11.741 0.148 1.00 33.01 O ATOM 0 H ASP D 320 14.594 -12.730 3.412 1.00 1.11 H new ATOM 0 HA ASP D 320 16.132 -11.218 1.804 1.00 2.51 H new ATOM 0 HB2 ASP D 320 13.447 -10.671 3.168 1.00 43.41 H new ATOM 0 HB3 ASP D 320 14.011 -9.825 1.740 1.00 43.41 H new ATOM 3163 N ASP D 322 18.554 -8.986 5.742 1.00 34.31 N ATOM 3164 CA ASP D 322 18.463 -8.870 7.216 1.00 34.33 C ATOM 3165 C ASP D 322 17.072 -9.119 7.722 1.00 43.51 C ATOM 3166 O ASP D 322 16.846 -10.063 8.489 1.00 13.14 O ATOM 3167 CB ASP D 322 18.990 -7.556 7.769 1.00 33.55 C ATOM 3168 CG ASP D 322 20.486 -7.445 7.716 1.00 41.14 C ATOM 3169 OD1 ASP D 322 21.156 -7.909 8.654 1.00 31.11 O ATOM 3170 OD2 ASP D 322 21.022 -6.896 6.737 1.00 15.12 O ATOM 0 HA ASP D 322 19.120 -9.656 7.589 1.00 34.33 H new ATOM 0 HB2 ASP D 322 18.552 -6.732 7.207 1.00 33.55 H new ATOM 0 HB3 ASP D 322 18.661 -7.447 8.803 1.00 33.55 H new ATOM 3175 N SER D 323 16.154 -8.262 7.307 1.00 54.23 N ATOM 3176 CA SER D 323 14.759 -8.381 7.627 1.00 31.14 C ATOM 3177 C SER D 323 14.477 -8.094 9.134 1.00 23.45 C ATOM 3178 O SER D 323 13.504 -8.586 9.713 1.00 33.10 O ATOM 3179 CB SER D 323 14.244 -9.786 7.137 1.00 71.34 C ATOM 3180 OG SER D 323 12.897 -10.062 7.526 1.00 62.32 O ATOM 0 H SER D 323 16.372 -7.451 6.727 1.00 54.23 H new ATOM 0 HA SER D 323 14.192 -7.615 7.098 1.00 31.14 H new ATOM 0 HB2 SER D 323 14.318 -9.833 6.051 1.00 71.34 H new ATOM 0 HB3 SER D 323 14.896 -10.563 7.535 1.00 71.34 H new ATOM 0 HG SER D 323 12.717 -9.651 8.397 1.00 62.32 H new ATOM 3186 N MET D 324 15.286 -7.223 9.727 1.00 33.42 N ATOM 3187 CA MET D 324 15.177 -6.927 11.158 1.00 74.25 C ATOM 3188 C MET D 324 15.371 -5.406 11.381 1.00 44.42 C ATOM 3189 O MET D 324 16.485 -4.900 11.256 1.00 2.43 O ATOM 3190 CB MET D 324 16.293 -7.724 11.886 1.00 11.42 C ATOM 3191 CG MET D 324 16.236 -7.901 13.430 1.00 23.34 C ATOM 3192 SD MET D 324 16.190 -6.387 14.437 1.00 12.42 S ATOM 3193 CE MET D 324 14.426 -6.071 14.546 1.00 23.43 C ATOM 0 H MET D 324 16.023 -6.709 9.244 1.00 33.42 H new ATOM 0 HA MET D 324 14.199 -7.211 11.546 1.00 74.25 H new ATOM 0 HB2 MET D 324 16.321 -8.721 11.445 1.00 11.42 H new ATOM 0 HB3 MET D 324 17.243 -7.244 11.649 1.00 11.42 H new ATOM 0 HG2 MET D 324 15.353 -8.494 13.670 1.00 23.34 H new ATOM 0 HG3 MET D 324 17.105 -8.484 13.736 1.00 23.34 H new ATOM 0 HE1 MET D 324 14.246 -4.997 14.508 1.00 23.43 H new ATOM 0 HE2 MET D 324 13.918 -6.554 13.712 1.00 23.43 H new ATOM 0 HE3 MET D 324 14.042 -6.470 15.485 1.00 23.43 H new ATOM 3203 N LYS D 325 14.273 -4.687 11.647 1.00 0.51 N ATOM 3204 CA LYS D 325 14.299 -3.249 11.973 1.00 52.44 C ATOM 3205 C LYS D 325 13.211 -2.853 12.970 1.00 22.45 C ATOM 3206 O LYS D 325 12.347 -3.660 13.325 1.00 13.11 O ATOM 3207 CB LYS D 325 14.229 -2.344 10.729 1.00 43.15 C ATOM 3208 CG LYS D 325 15.567 -2.057 10.068 1.00 13.35 C ATOM 3209 CD LYS D 325 16.410 -1.170 10.963 1.00 51.42 C ATOM 3210 CE LYS D 325 15.841 0.243 11.096 1.00 52.12 C ATOM 3211 NZ LYS D 325 16.581 1.036 12.099 1.00 71.10 N ATOM 0 H LYS D 325 13.334 -5.086 11.643 1.00 0.51 H new ATOM 0 HA LYS D 325 15.269 -3.089 12.444 1.00 52.44 H new ATOM 0 HB2 LYS D 325 13.571 -2.810 9.996 1.00 43.15 H new ATOM 0 HB3 LYS D 325 13.770 -1.397 11.013 1.00 43.15 H new ATOM 0 HG2 LYS D 325 16.092 -2.992 9.871 1.00 13.35 H new ATOM 0 HG3 LYS D 325 15.409 -1.571 9.105 1.00 13.35 H new ATOM 0 HD2 LYS D 325 16.483 -1.623 11.952 1.00 51.42 H new ATOM 0 HD3 LYS D 325 17.422 -1.114 10.563 1.00 51.42 H new ATOM 0 HE2 LYS D 325 15.885 0.746 10.130 1.00 52.12 H new ATOM 0 HE3 LYS D 325 14.790 0.187 11.379 1.00 52.12 H new ATOM 0 HZ1 LYS D 325 16.259 2.024 12.067 1.00 71.10 H new ATOM 0 HZ2 LYS D 325 16.407 0.646 13.047 1.00 71.10 H new ATOM 0 HZ3 LYS D 325 17.599 0.997 11.890 1.00 71.10 H new ATOM 3225 N GLU D 326 13.272 -1.622 13.418 1.00 63.51 N ATOM 3226 CA GLU D 326 12.329 -1.060 14.353 1.00 41.51 C ATOM 3227 C GLU D 326 11.972 0.369 13.910 1.00 23.35 C ATOM 3228 O GLU D 326 12.784 1.026 13.237 1.00 71.33 O ATOM 3229 CB GLU D 326 12.912 -1.060 15.800 1.00 23.55 C ATOM 3230 CG GLU D 326 14.236 -0.278 16.009 1.00 3.14 C ATOM 3231 CD GLU D 326 15.438 -0.878 15.290 1.00 41.13 C ATOM 3232 OE1 GLU D 326 16.093 -1.777 15.856 1.00 14.51 O ATOM 3233 OE2 GLU D 326 15.745 -0.462 14.152 1.00 32.05 O ATOM 0 H GLU D 326 14.000 -0.966 13.134 1.00 63.51 H new ATOM 0 HA GLU D 326 11.427 -1.672 14.363 1.00 41.51 H new ATOM 0 HB2 GLU D 326 12.160 -0.645 16.471 1.00 23.55 H new ATOM 0 HB3 GLU D 326 13.074 -2.094 16.103 1.00 23.55 H new ATOM 0 HG2 GLU D 326 14.097 0.747 15.666 1.00 3.14 H new ATOM 0 HG3 GLU D 326 14.452 -0.231 17.076 1.00 3.14 H new ATOM 3240 N PRO D 327 10.752 0.871 14.239 1.00 15.33 N ATOM 3241 CA PRO D 327 10.345 2.220 13.880 1.00 71.44 C ATOM 3242 C PRO D 327 11.055 3.265 14.714 1.00 11.24 C ATOM 3243 O PRO D 327 11.650 2.965 15.758 1.00 14.31 O ATOM 3244 CB PRO D 327 8.855 2.237 14.227 1.00 33.43 C ATOM 3245 CG PRO D 327 8.757 1.285 15.349 1.00 23.25 C ATOM 3246 CD PRO D 327 9.665 0.172 14.964 1.00 73.51 C ATOM 0 HA PRO D 327 10.573 2.450 12.839 1.00 71.44 H new ATOM 0 HB2 PRO D 327 8.520 3.234 14.515 1.00 33.43 H new ATOM 0 HB3 PRO D 327 8.241 1.927 13.381 1.00 33.43 H new ATOM 0 HG2 PRO D 327 9.065 1.744 16.288 1.00 23.25 H new ATOM 0 HG3 PRO D 327 7.734 0.935 15.486 1.00 23.25 H new ATOM 0 HD2 PRO D 327 10.040 -0.364 15.836 1.00 73.51 H new ATOM 0 HD3 PRO D 327 9.162 -0.560 14.332 1.00 73.51 H new