USER MOD reduce.3.24.130724 H: found=0, std=0, add=768, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 770 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 105 SER OG : rot -56:sc= 1.05 USER MOD Set 1.2: A 108 HIS : no HD1:sc= 0.991 K(o=2,f=-5.2!) USER MOD Set 2.1: A 61 ASN : amide:sc= 1.37 K(o=2.6,f=-6!) USER MOD Set 2.2: A 84 THR OG1 : rot 39:sc= 1.23 USER MOD Set 3.1: A 15 MET CE :methyl -151:sc= -3.75 (180deg=-4.46!) USER MOD Set 3.2: A 49 SER OG : rot -33:sc= -1.41! USER MOD Set 4.1: A 28 SER OG : rot 180:sc= 0 USER MOD Set 4.2: A 35 GLN : amide:sc= -0.599 K(o=-0.76,f=-1.9) USER MOD Set 4.3: A 70 HIS : no HD1:sc= -0.159 X(o=-0.76,f=-0.51) USER MOD Single : A 13 CYS SG : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0.971 (180deg=0.971) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 TYR OH : rot 180:sc=-0.000914 USER MOD Single : A 25 ASN : amide:sc= -1.13 K(o=-1.1,f=-2.9!) USER MOD Single : A 27 HIS : no HD1:sc= -0.508 K(o=-0.51,f=0) USER MOD Single : A 39 SER OG : rot -14:sc= 0.868 USER MOD Single : A 44 SER OG : rot -88:sc= 1.57 USER MOD Single : A 54 GLN : amide:sc= -0.976 K(o=-0.98,f=-0.12) USER MOD Single : A 64 CYS SG : rot 3:sc= 1.2 USER MOD Single : A 65 MET CE :methyl 146:sc= -0.396 (180deg=-2.5!) USER MOD Single : A 68 LYS NZ :NH3+ 160:sc= 2.13 (180deg=1.39) USER MOD Single : A 69 GLN : amide:sc= -0.576 X(o=-0.58,f=-0.31) USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 85 LYS NZ :NH3+ 157:sc= 1.25 (180deg=0.399) USER MOD Single : A 93 THR OG1 : rot 106:sc= 1.24 USER MOD Single : A 98 LYS NZ :NH3+ -151:sc= 1.15 (180deg=0.194) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 CYS SG : rot 84:sc= 0.824 USER MOD Single : A 106 GLN : amide:sc= -4.66! C(o=-4.7!,f=-6.5!) USER MOD Single : A 110 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 106 N LEU A 8 -8.565 -8.177 -0.538 1.00 0.80 N ATOM 107 CA LEU A 8 -8.174 -6.951 -1.217 1.00 0.56 C ATOM 108 C LEU A 8 -7.744 -5.903 -0.198 1.00 0.48 C ATOM 109 O LEU A 8 -8.264 -4.786 -0.166 1.00 0.47 O ATOM 110 CB LEU A 8 -9.343 -6.424 -2.042 1.00 0.47 C ATOM 111 CG LEU A 8 -9.934 -7.421 -3.038 1.00 0.56 C ATOM 112 CD1 LEU A 8 -11.207 -6.861 -3.646 1.00 0.61 C ATOM 113 CD2 LEU A 8 -8.919 -7.752 -4.125 1.00 0.72 C ATOM 0 HA LEU A 8 -7.335 -7.164 -1.879 1.00 0.56 H new ATOM 0 HB2 LEU A 8 -10.132 -6.102 -1.362 1.00 0.47 H new ATOM 0 HB3 LEU A 8 -9.013 -5.540 -2.588 1.00 0.47 H new ATOM 0 HG LEU A 8 -10.179 -8.342 -2.509 1.00 0.56 H new ATOM 0 HD11 LEU A 8 -11.619 -7.580 -4.354 1.00 0.61 H new ATOM 0 HD12 LEU A 8 -11.934 -6.671 -2.857 1.00 0.61 H new ATOM 0 HD13 LEU A 8 -10.983 -5.929 -4.165 1.00 0.61 H new ATOM 0 HD21 LEU A 8 -9.356 -8.463 -4.826 1.00 0.72 H new ATOM 0 HD22 LEU A 8 -8.645 -6.841 -4.656 1.00 0.72 H new ATOM 0 HD23 LEU A 8 -8.030 -8.189 -3.671 1.00 0.72 H new ATOM 125 N ARG A 9 -6.793 -6.279 0.634 1.00 0.52 N ATOM 126 CA ARG A 9 -6.332 -5.425 1.706 1.00 0.51 C ATOM 127 C ARG A 9 -4.848 -5.135 1.537 1.00 0.43 C ATOM 128 O ARG A 9 -4.148 -5.851 0.819 1.00 0.47 O ATOM 129 CB ARG A 9 -6.604 -6.082 3.064 1.00 0.69 C ATOM 130 CG ARG A 9 -6.011 -7.471 3.206 1.00 1.15 C ATOM 131 CD ARG A 9 -6.225 -8.017 4.604 1.00 1.21 C ATOM 132 NE ARG A 9 -5.910 -9.441 4.689 1.00 1.84 N ATOM 133 CZ ARG A 9 -5.843 -10.119 5.833 1.00 2.23 C ATOM 134 NH1 ARG A 9 -5.886 -9.474 6.991 1.00 2.21 N ATOM 135 NH2 ARG A 9 -5.685 -11.436 5.820 1.00 3.09 N ATOM 0 H ARG A 9 -6.321 -7.182 0.585 1.00 0.52 H new ATOM 0 HA ARG A 9 -6.877 -4.482 1.668 1.00 0.51 H new ATOM 0 HB2 ARG A 9 -6.203 -5.444 3.852 1.00 0.69 H new ATOM 0 HB3 ARG A 9 -7.681 -6.140 3.219 1.00 0.69 H new ATOM 0 HG2 ARG A 9 -6.468 -8.141 2.477 1.00 1.15 H new ATOM 0 HG3 ARG A 9 -4.944 -7.438 2.985 1.00 1.15 H new ATOM 0 HD2 ARG A 9 -5.602 -7.465 5.308 1.00 1.21 H new ATOM 0 HD3 ARG A 9 -7.261 -7.856 4.901 1.00 1.21 H new ATOM 0 HE ARG A 9 -5.731 -9.946 3.821 1.00 1.84 H new ATOM 0 HH11 ARG A 9 -5.970 -8.458 7.006 1.00 2.21 H new ATOM 0 HH12 ARG A 9 -5.835 -9.994 7.867 1.00 2.21 H new ATOM 0 HH21 ARG A 9 -5.614 -11.932 4.932 1.00 3.09 H new ATOM 0 HH22 ARG A 9 -5.634 -11.952 6.698 1.00 3.09 H new ATOM 149 N PRO A 10 -4.345 -4.082 2.194 1.00 0.36 N ATOM 150 CA PRO A 10 -2.958 -3.673 2.065 1.00 0.30 C ATOM 151 C PRO A 10 -2.017 -4.663 2.727 1.00 0.28 C ATOM 152 O PRO A 10 -2.442 -5.573 3.440 1.00 0.38 O ATOM 153 CB PRO A 10 -2.895 -2.321 2.791 1.00 0.29 C ATOM 154 CG PRO A 10 -4.301 -1.955 3.114 1.00 0.47 C ATOM 155 CD PRO A 10 -5.074 -3.231 3.130 1.00 0.40 C ATOM 0 HA PRO A 10 -2.650 -3.617 1.021 1.00 0.30 H new ATOM 0 HB2 PRO A 10 -2.294 -2.394 3.697 1.00 0.29 H new ATOM 0 HB3 PRO A 10 -2.431 -1.562 2.161 1.00 0.29 H new ATOM 0 HG2 PRO A 10 -4.360 -1.453 4.080 1.00 0.47 H new ATOM 0 HG3 PRO A 10 -4.704 -1.266 2.371 1.00 0.47 H new ATOM 0 HD2 PRO A 10 -5.107 -3.668 4.128 1.00 0.40 H new ATOM 0 HD3 PRO A 10 -6.106 -3.079 2.814 1.00 0.40 H new ATOM 163 N ARG A 11 -0.741 -4.489 2.483 1.00 0.29 N ATOM 164 CA ARG A 11 0.269 -5.301 3.131 1.00 0.34 C ATOM 165 C ARG A 11 1.331 -4.422 3.766 1.00 0.27 C ATOM 166 O ARG A 11 1.831 -3.484 3.138 1.00 0.27 O ATOM 167 CB ARG A 11 0.892 -6.288 2.136 1.00 0.49 C ATOM 168 CG ARG A 11 1.242 -5.676 0.787 1.00 0.63 C ATOM 169 CD ARG A 11 1.720 -6.742 -0.185 1.00 1.00 C ATOM 170 NE ARG A 11 1.878 -6.233 -1.547 1.00 1.22 N ATOM 171 CZ ARG A 11 1.285 -6.771 -2.613 1.00 1.59 C ATOM 172 NH1 ARG A 11 0.381 -7.731 -2.458 1.00 1.95 N ATOM 173 NH2 ARG A 11 1.568 -6.313 -3.823 1.00 2.37 N ATOM 0 H ARG A 11 -0.373 -3.790 1.838 1.00 0.29 H new ATOM 0 HA ARG A 11 -0.208 -5.880 3.922 1.00 0.34 H new ATOM 0 HB2 ARG A 11 1.796 -6.709 2.577 1.00 0.49 H new ATOM 0 HB3 ARG A 11 0.199 -7.114 1.979 1.00 0.49 H new ATOM 0 HG2 ARG A 11 0.369 -5.169 0.376 1.00 0.63 H new ATOM 0 HG3 ARG A 11 2.018 -4.922 0.916 1.00 0.63 H new ATOM 0 HD2 ARG A 11 2.672 -7.143 0.161 1.00 1.00 H new ATOM 0 HD3 ARG A 11 1.009 -7.568 -0.190 1.00 1.00 H new ATOM 0 HE ARG A 11 2.476 -5.419 -1.690 1.00 1.22 H new ATOM 0 HH11 ARG A 11 0.139 -8.058 -1.522 1.00 1.95 H new ATOM 0 HH12 ARG A 11 -0.072 -8.142 -3.274 1.00 1.95 H new ATOM 0 HH21 ARG A 11 2.237 -5.552 -3.936 1.00 2.37 H new ATOM 0 HH22 ARG A 11 1.117 -6.722 -4.641 1.00 2.37 H new ATOM 187 N LEU A 12 1.647 -4.707 5.023 1.00 0.29 N ATOM 188 CA LEU A 12 2.668 -3.961 5.734 1.00 0.26 C ATOM 189 C LEU A 12 3.995 -4.693 5.637 1.00 0.25 C ATOM 190 O LEU A 12 4.170 -5.767 6.213 1.00 0.32 O ATOM 191 CB LEU A 12 2.283 -3.773 7.205 1.00 0.34 C ATOM 192 CG LEU A 12 3.257 -2.915 8.023 1.00 0.60 C ATOM 193 CD1 LEU A 12 3.272 -1.484 7.509 1.00 1.32 C ATOM 194 CD2 LEU A 12 2.896 -2.947 9.502 1.00 1.28 C ATOM 0 H LEU A 12 1.209 -5.450 5.568 1.00 0.29 H new ATOM 0 HA LEU A 12 2.760 -2.976 5.276 1.00 0.26 H new ATOM 0 HB2 LEU A 12 1.294 -3.318 7.251 1.00 0.34 H new ATOM 0 HB3 LEU A 12 2.205 -4.754 7.673 1.00 0.34 H new ATOM 0 HG LEU A 12 4.257 -3.333 7.907 1.00 0.60 H new ATOM 0 HD11 LEU A 12 3.969 -0.892 8.102 1.00 1.32 H new ATOM 0 HD12 LEU A 12 3.586 -1.476 6.465 1.00 1.32 H new ATOM 0 HD13 LEU A 12 2.272 -1.058 7.591 1.00 1.32 H new ATOM 0 HD21 LEU A 12 3.600 -2.332 10.062 1.00 1.28 H new ATOM 0 HD22 LEU A 12 1.887 -2.559 9.639 1.00 1.28 H new ATOM 0 HD23 LEU A 12 2.942 -3.973 9.866 1.00 1.28 H new ATOM 206 N CYS A 13 4.921 -4.118 4.899 1.00 0.23 N ATOM 207 CA CYS A 13 6.229 -4.717 4.717 1.00 0.25 C ATOM 208 C CYS A 13 7.204 -4.178 5.755 1.00 0.22 C ATOM 209 O CYS A 13 7.475 -2.983 5.799 1.00 0.24 O ATOM 210 CB CYS A 13 6.740 -4.432 3.303 1.00 0.29 C ATOM 211 SG CYS A 13 5.611 -4.970 1.994 1.00 0.40 S ATOM 0 H CYS A 13 4.792 -3.231 4.412 1.00 0.23 H new ATOM 0 HA CYS A 13 6.147 -5.796 4.849 1.00 0.25 H new ATOM 0 HB2 CYS A 13 6.917 -3.361 3.200 1.00 0.29 H new ATOM 0 HB3 CYS A 13 7.701 -4.928 3.167 1.00 0.29 H new ATOM 0 HG CYS A 13 6.125 -4.686 0.834 1.00 0.40 H new ATOM 217 N THR A 14 7.720 -5.056 6.598 1.00 0.23 N ATOM 218 CA THR A 14 8.656 -4.636 7.624 1.00 0.24 C ATOM 219 C THR A 14 10.054 -5.090 7.250 1.00 0.22 C ATOM 220 O THR A 14 10.318 -6.287 7.125 1.00 0.25 O ATOM 221 CB THR A 14 8.276 -5.201 9.005 1.00 0.31 C ATOM 222 OG1 THR A 14 6.896 -4.922 9.277 1.00 0.35 O ATOM 223 CG2 THR A 14 9.141 -4.591 10.099 1.00 0.35 C ATOM 0 H THR A 14 7.509 -6.054 6.592 1.00 0.23 H new ATOM 0 HA THR A 14 8.622 -3.548 7.689 1.00 0.24 H new ATOM 0 HB THR A 14 8.441 -6.278 8.992 1.00 0.31 H new ATOM 0 HG1 THR A 14 6.656 -5.284 10.156 1.00 0.35 H new ATOM 0 HG21 THR A 14 8.853 -5.006 11.065 1.00 0.35 H new ATOM 0 HG22 THR A 14 10.189 -4.819 9.904 1.00 0.35 H new ATOM 0 HG23 THR A 14 9.002 -3.510 10.113 1.00 0.35 H new ATOM 231 N MET A 15 10.943 -4.131 7.079 1.00 0.20 N ATOM 232 CA MET A 15 12.289 -4.412 6.613 1.00 0.19 C ATOM 233 C MET A 15 13.312 -3.670 7.461 1.00 0.21 C ATOM 234 O MET A 15 13.150 -2.485 7.759 1.00 0.21 O ATOM 235 CB MET A 15 12.420 -4.018 5.138 1.00 0.21 C ATOM 236 CG MET A 15 12.002 -2.585 4.862 1.00 0.24 C ATOM 237 SD MET A 15 12.161 -2.111 3.128 1.00 0.88 S ATOM 238 CE MET A 15 10.783 -2.997 2.409 1.00 0.28 C ATOM 0 H MET A 15 10.757 -3.144 7.257 1.00 0.20 H new ATOM 0 HA MET A 15 12.482 -5.480 6.709 1.00 0.19 H new ATOM 0 HB2 MET A 15 13.454 -4.155 4.823 1.00 0.21 H new ATOM 0 HB3 MET A 15 11.811 -4.690 4.534 1.00 0.21 H new ATOM 0 HG2 MET A 15 10.966 -2.450 5.174 1.00 0.24 H new ATOM 0 HG3 MET A 15 12.608 -1.914 5.471 1.00 0.24 H new ATOM 0 HE1 MET A 15 11.011 -3.245 1.372 1.00 0.28 H new ATOM 0 HE2 MET A 15 10.607 -3.914 2.971 1.00 0.28 H new ATOM 0 HE3 MET A 15 9.890 -2.372 2.445 1.00 0.28 H new ATOM 248 N LYS A 16 14.350 -4.376 7.866 1.00 0.29 N ATOM 249 CA LYS A 16 15.398 -3.788 8.681 1.00 0.37 C ATOM 250 C LYS A 16 16.705 -3.742 7.897 1.00 0.40 C ATOM 251 O LYS A 16 17.054 -4.697 7.201 1.00 0.48 O ATOM 252 CB LYS A 16 15.558 -4.587 9.980 1.00 0.50 C ATOM 253 CG LYS A 16 16.618 -4.041 10.926 1.00 0.90 C ATOM 254 CD LYS A 16 16.563 -4.743 12.273 1.00 1.09 C ATOM 255 CE LYS A 16 17.637 -4.232 13.217 1.00 1.96 C ATOM 256 NZ LYS A 16 17.522 -4.848 14.564 1.00 2.58 N ATOM 0 H LYS A 16 14.491 -5.361 7.643 1.00 0.29 H new ATOM 0 HA LYS A 16 15.124 -2.766 8.942 1.00 0.37 H new ATOM 0 HB2 LYS A 16 14.600 -4.608 10.500 1.00 0.50 H new ATOM 0 HB3 LYS A 16 15.808 -5.618 9.730 1.00 0.50 H new ATOM 0 HG2 LYS A 16 17.606 -4.172 10.484 1.00 0.90 H new ATOM 0 HG3 LYS A 16 16.470 -2.970 11.064 1.00 0.90 H new ATOM 0 HD2 LYS A 16 15.582 -4.592 12.722 1.00 1.09 H new ATOM 0 HD3 LYS A 16 16.686 -5.816 12.129 1.00 1.09 H new ATOM 0 HE2 LYS A 16 18.621 -4.448 12.801 1.00 1.96 H new ATOM 0 HE3 LYS A 16 17.559 -3.148 13.304 1.00 1.96 H new ATOM 0 HZ1 LYS A 16 18.271 -4.475 15.181 1.00 2.58 H new ATOM 0 HZ2 LYS A 16 16.593 -4.620 14.972 1.00 2.58 H new ATOM 0 HZ3 LYS A 16 17.621 -5.880 14.483 1.00 2.58 H new ATOM 270 N LYS A 17 17.398 -2.609 8.004 1.00 0.41 N ATOM 271 CA LYS A 17 18.632 -2.364 7.272 1.00 0.50 C ATOM 272 C LYS A 17 19.650 -3.465 7.520 1.00 0.60 C ATOM 273 O LYS A 17 20.076 -3.689 8.656 1.00 0.67 O ATOM 274 CB LYS A 17 19.216 -1.018 7.695 1.00 0.51 C ATOM 275 CG LYS A 17 19.681 -0.156 6.538 1.00 0.52 C ATOM 276 CD LYS A 17 20.097 1.227 7.016 1.00 0.53 C ATOM 277 CE LYS A 17 18.923 1.970 7.634 1.00 0.62 C ATOM 278 NZ LYS A 17 19.337 3.229 8.310 1.00 0.92 N ATOM 0 H LYS A 17 17.115 -1.834 8.604 1.00 0.41 H new ATOM 0 HA LYS A 17 18.401 -2.351 6.207 1.00 0.50 H new ATOM 0 HB2 LYS A 17 18.465 -0.470 8.264 1.00 0.51 H new ATOM 0 HB3 LYS A 17 20.058 -1.193 8.365 1.00 0.51 H new ATOM 0 HG2 LYS A 17 20.520 -0.638 6.036 1.00 0.52 H new ATOM 0 HG3 LYS A 17 18.880 -0.065 5.804 1.00 0.52 H new ATOM 0 HD2 LYS A 17 20.899 1.136 7.748 1.00 0.53 H new ATOM 0 HD3 LYS A 17 20.494 1.800 6.178 1.00 0.53 H new ATOM 0 HE2 LYS A 17 18.194 2.201 6.857 1.00 0.62 H new ATOM 0 HE3 LYS A 17 18.425 1.321 8.355 1.00 0.62 H new ATOM 0 HZ1 LYS A 17 18.501 3.697 8.714 1.00 0.92 H new ATOM 0 HZ2 LYS A 17 20.012 3.009 9.070 1.00 0.92 H new ATOM 0 HZ3 LYS A 17 19.788 3.862 7.619 1.00 0.92 H new ATOM 292 N GLY A 18 20.033 -4.143 6.453 1.00 0.68 N ATOM 293 CA GLY A 18 20.972 -5.235 6.574 1.00 0.85 C ATOM 294 C GLY A 18 22.282 -4.961 5.862 1.00 1.05 C ATOM 295 O GLY A 18 23.079 -4.144 6.322 1.00 1.28 O ATOM 0 H GLY A 18 19.710 -3.957 5.503 1.00 0.68 H new ATOM 0 HA2 GLY A 18 21.169 -5.424 7.629 1.00 0.85 H new ATOM 0 HA3 GLY A 18 20.524 -6.141 6.166 1.00 0.85 H new ATOM 299 N PRO A 19 22.520 -5.634 4.722 1.00 1.24 N ATOM 300 CA PRO A 19 23.776 -5.516 3.965 1.00 1.57 C ATOM 301 C PRO A 19 24.043 -4.094 3.474 1.00 1.57 C ATOM 302 O PRO A 19 24.991 -3.444 3.914 1.00 2.23 O ATOM 303 CB PRO A 19 23.580 -6.461 2.774 1.00 1.91 C ATOM 304 CG PRO A 19 22.107 -6.690 2.687 1.00 1.86 C ATOM 305 CD PRO A 19 21.581 -6.572 4.087 1.00 1.40 C ATOM 0 HA PRO A 19 24.636 -5.765 4.587 1.00 1.57 H new ATOM 0 HB2 PRO A 19 23.964 -6.019 1.855 1.00 1.91 H new ATOM 0 HB3 PRO A 19 24.115 -7.399 2.924 1.00 1.91 H new ATOM 0 HG2 PRO A 19 21.637 -5.957 2.032 1.00 1.86 H new ATOM 0 HG3 PRO A 19 21.890 -7.674 2.271 1.00 1.86 H new ATOM 0 HD2 PRO A 19 20.560 -6.191 4.103 1.00 1.40 H new ATOM 0 HD3 PRO A 19 21.570 -7.536 4.595 1.00 1.40 H new ATOM 313 N SER A 20 23.208 -3.625 2.562 1.00 1.40 N ATOM 314 CA SER A 20 23.340 -2.282 2.026 1.00 1.65 C ATOM 315 C SER A 20 21.956 -1.671 1.847 1.00 1.43 C ATOM 316 O SER A 20 21.358 -1.757 0.775 1.00 1.93 O ATOM 317 CB SER A 20 24.092 -2.314 0.690 1.00 2.14 C ATOM 318 OG SER A 20 24.422 -1.009 0.244 1.00 2.87 O ATOM 0 H SER A 20 22.428 -4.158 2.176 1.00 1.40 H new ATOM 0 HA SER A 20 23.912 -1.670 2.723 1.00 1.65 H new ATOM 0 HB2 SER A 20 25.003 -2.903 0.799 1.00 2.14 H new ATOM 0 HB3 SER A 20 23.479 -2.811 -0.061 1.00 2.14 H new ATOM 0 HG SER A 20 24.902 -1.066 -0.609 1.00 2.87 H new ATOM 324 N GLY A 21 21.438 -1.081 2.917 1.00 1.04 N ATOM 325 CA GLY A 21 20.106 -0.516 2.873 1.00 0.94 C ATOM 326 C GLY A 21 19.040 -1.584 2.995 1.00 0.97 C ATOM 327 O GLY A 21 19.120 -2.452 3.867 1.00 1.93 O ATOM 0 H GLY A 21 21.917 -0.984 3.812 1.00 1.04 H new ATOM 0 HA2 GLY A 21 19.991 0.207 3.680 1.00 0.94 H new ATOM 0 HA3 GLY A 21 19.972 0.027 1.937 1.00 0.94 H new ATOM 331 N TYR A 22 18.049 -1.536 2.117 1.00 0.74 N ATOM 332 CA TYR A 22 16.964 -2.503 2.146 1.00 0.70 C ATOM 333 C TYR A 22 16.905 -3.275 0.833 1.00 0.89 C ATOM 334 O TYR A 22 16.522 -4.442 0.798 1.00 1.82 O ATOM 335 CB TYR A 22 15.630 -1.802 2.414 1.00 0.64 C ATOM 336 CG TYR A 22 15.651 -0.896 3.628 1.00 0.50 C ATOM 337 CD1 TYR A 22 15.727 -1.421 4.912 1.00 0.47 C ATOM 338 CD2 TYR A 22 15.593 0.485 3.487 1.00 0.55 C ATOM 339 CE1 TYR A 22 15.745 -0.594 6.020 1.00 0.46 C ATOM 340 CE2 TYR A 22 15.612 1.317 4.589 1.00 0.54 C ATOM 341 CZ TYR A 22 15.688 0.774 5.853 1.00 0.46 C ATOM 342 OH TYR A 22 15.707 1.602 6.954 1.00 0.59 O ATOM 0 H TYR A 22 17.975 -0.838 1.377 1.00 0.74 H new ATOM 0 HA TYR A 22 17.152 -3.209 2.955 1.00 0.70 H new ATOM 0 HB2 TYR A 22 15.356 -1.214 1.538 1.00 0.64 H new ATOM 0 HB3 TYR A 22 14.854 -2.556 2.548 1.00 0.64 H new ATOM 0 HD1 TYR A 22 15.773 -2.492 5.047 1.00 0.47 H new ATOM 0 HD2 TYR A 22 15.532 0.915 2.498 1.00 0.55 H new ATOM 0 HE1 TYR A 22 15.803 -1.017 7.012 1.00 0.46 H new ATOM 0 HE2 TYR A 22 15.567 2.388 4.461 1.00 0.54 H new ATOM 0 HH TYR A 22 15.661 2.536 6.662 1.00 0.59 H new ATOM 352 N GLY A 23 17.294 -2.597 -0.244 1.00 0.43 N ATOM 353 CA GLY A 23 17.416 -3.232 -1.545 1.00 0.42 C ATOM 354 C GLY A 23 16.141 -3.167 -2.365 1.00 0.39 C ATOM 355 O GLY A 23 15.507 -4.190 -2.626 1.00 0.39 O ATOM 0 H GLY A 23 17.530 -1.605 -0.237 1.00 0.43 H new ATOM 0 HA2 GLY A 23 18.222 -2.754 -2.101 1.00 0.42 H new ATOM 0 HA3 GLY A 23 17.699 -4.276 -1.407 1.00 0.42 H new ATOM 359 N PHE A 24 15.777 -1.966 -2.788 1.00 0.37 N ATOM 360 CA PHE A 24 14.643 -1.775 -3.683 1.00 0.36 C ATOM 361 C PHE A 24 14.796 -0.459 -4.434 1.00 0.38 C ATOM 362 O PHE A 24 15.419 0.480 -3.936 1.00 0.40 O ATOM 363 CB PHE A 24 13.307 -1.809 -2.918 1.00 0.34 C ATOM 364 CG PHE A 24 13.132 -0.705 -1.906 1.00 0.32 C ATOM 365 CD1 PHE A 24 13.647 -0.825 -0.623 1.00 0.33 C ATOM 366 CD2 PHE A 24 12.444 0.452 -2.240 1.00 0.34 C ATOM 367 CE1 PHE A 24 13.480 0.190 0.302 1.00 0.35 C ATOM 368 CE2 PHE A 24 12.275 1.468 -1.318 1.00 0.36 C ATOM 369 CZ PHE A 24 12.793 1.336 -0.047 1.00 0.36 C ATOM 0 H PHE A 24 16.253 -1.103 -2.525 1.00 0.37 H new ATOM 0 HA PHE A 24 14.630 -2.598 -4.398 1.00 0.36 H new ATOM 0 HB2 PHE A 24 12.490 -1.756 -3.638 1.00 0.34 H new ATOM 0 HB3 PHE A 24 13.221 -2.768 -2.408 1.00 0.34 H new ATOM 0 HD1 PHE A 24 14.184 -1.720 -0.344 1.00 0.33 H new ATOM 0 HD2 PHE A 24 12.035 0.561 -3.234 1.00 0.34 H new ATOM 0 HE1 PHE A 24 13.887 0.086 1.297 1.00 0.35 H new ATOM 0 HE2 PHE A 24 11.738 2.364 -1.593 1.00 0.36 H new ATOM 0 HZ PHE A 24 12.662 2.128 0.675 1.00 0.36 H new ATOM 379 N ASN A 25 14.231 -0.394 -5.625 1.00 0.43 N ATOM 380 CA ASN A 25 14.306 0.802 -6.449 1.00 0.46 C ATOM 381 C ASN A 25 12.990 1.565 -6.346 1.00 0.42 C ATOM 382 O ASN A 25 11.918 0.968 -6.419 1.00 0.39 O ATOM 383 CB ASN A 25 14.588 0.434 -7.911 1.00 0.51 C ATOM 384 CG ASN A 25 15.777 -0.498 -8.069 1.00 1.23 C ATOM 385 OD1 ASN A 25 15.629 -1.722 -8.035 1.00 2.18 O ATOM 386 ND2 ASN A 25 16.961 0.065 -8.251 1.00 1.65 N ATOM 0 H ASN A 25 13.710 -1.162 -6.048 1.00 0.43 H new ATOM 0 HA ASN A 25 15.123 1.430 -6.092 1.00 0.46 H new ATOM 0 HB2 ASN A 25 13.704 -0.039 -8.338 1.00 0.51 H new ATOM 0 HB3 ASN A 25 14.769 1.345 -8.481 1.00 0.51 H new ATOM 0 HD21 ASN A 25 17.790 -0.517 -8.369 1.00 1.65 H new ATOM 0 HD22 ASN A 25 17.044 1.081 -8.273 1.00 1.65 H new ATOM 393 N LEU A 26 13.070 2.875 -6.183 1.00 0.50 N ATOM 394 CA LEU A 26 11.881 3.687 -5.945 1.00 0.52 C ATOM 395 C LEU A 26 11.434 4.406 -7.218 1.00 0.55 C ATOM 396 O LEU A 26 12.246 4.716 -8.091 1.00 0.73 O ATOM 397 CB LEU A 26 12.150 4.699 -4.826 1.00 0.69 C ATOM 398 CG LEU A 26 10.916 5.441 -4.303 1.00 0.87 C ATOM 399 CD1 LEU A 26 9.898 4.463 -3.729 1.00 1.52 C ATOM 400 CD2 LEU A 26 11.322 6.462 -3.253 1.00 1.48 C ATOM 0 H LEU A 26 13.943 3.402 -6.210 1.00 0.50 H new ATOM 0 HA LEU A 26 11.073 3.023 -5.638 1.00 0.52 H new ATOM 0 HB2 LEU A 26 12.620 4.177 -3.992 1.00 0.69 H new ATOM 0 HB3 LEU A 26 12.869 5.434 -5.188 1.00 0.69 H new ATOM 0 HG LEU A 26 10.450 5.964 -5.139 1.00 0.87 H new ATOM 0 HD11 LEU A 26 9.031 5.013 -3.364 1.00 1.52 H new ATOM 0 HD12 LEU A 26 9.585 3.766 -4.506 1.00 1.52 H new ATOM 0 HD13 LEU A 26 10.349 3.909 -2.906 1.00 1.52 H new ATOM 0 HD21 LEU A 26 10.436 6.982 -2.890 1.00 1.48 H new ATOM 0 HD22 LEU A 26 11.811 5.954 -2.422 1.00 1.48 H new ATOM 0 HD23 LEU A 26 12.011 7.183 -3.694 1.00 1.48 H new ATOM 412 N HIS A 27 10.132 4.662 -7.311 1.00 0.56 N ATOM 413 CA HIS A 27 9.539 5.301 -8.481 1.00 0.67 C ATOM 414 C HIS A 27 9.108 6.718 -8.140 1.00 0.68 C ATOM 415 O HIS A 27 8.301 6.920 -7.233 1.00 0.95 O ATOM 416 CB HIS A 27 8.297 4.520 -8.920 1.00 1.23 C ATOM 417 CG HIS A 27 8.205 4.243 -10.383 1.00 0.70 C ATOM 418 ND1 HIS A 27 7.580 5.075 -11.288 1.00 0.97 N ATOM 419 CD2 HIS A 27 8.644 3.184 -11.091 1.00 0.81 C ATOM 420 CE1 HIS A 27 7.646 4.535 -12.489 1.00 1.30 C ATOM 421 NE2 HIS A 27 8.285 3.388 -12.397 1.00 1.34 N ATOM 0 H HIS A 27 9.460 4.433 -6.579 1.00 0.56 H new ATOM 0 HA HIS A 27 10.281 5.318 -9.279 1.00 0.67 H new ATOM 0 HB2 HIS A 27 8.276 3.571 -8.385 1.00 1.23 H new ATOM 0 HB3 HIS A 27 7.411 5.077 -8.615 1.00 1.23 H new ATOM 0 HD2 HIS A 27 9.180 2.332 -10.701 1.00 0.81 H new ATOM 0 HE1 HIS A 27 7.243 4.962 -13.396 1.00 1.30 H new ATOM 0 HE2 HIS A 27 8.481 2.754 -13.172 1.00 1.34 H new ATOM 430 N SER A 28 9.634 7.687 -8.865 1.00 0.75 N ATOM 431 CA SER A 28 9.244 9.073 -8.677 1.00 1.14 C ATOM 432 C SER A 28 8.691 9.637 -9.980 1.00 1.03 C ATOM 433 O SER A 28 9.446 10.010 -10.879 1.00 1.34 O ATOM 434 CB SER A 28 10.445 9.895 -8.200 1.00 1.74 C ATOM 435 OG SER A 28 11.055 9.298 -7.065 1.00 2.30 O ATOM 0 H SER A 28 10.334 7.540 -9.592 1.00 0.75 H new ATOM 0 HA SER A 28 8.465 9.127 -7.917 1.00 1.14 H new ATOM 0 HB2 SER A 28 11.174 9.980 -9.006 1.00 1.74 H new ATOM 0 HB3 SER A 28 10.122 10.907 -7.953 1.00 1.74 H new ATOM 0 HG SER A 28 11.820 9.841 -6.781 1.00 2.30 H new ATOM 529 N GLN A 35 3.987 6.961 -4.771 1.00 0.74 N ATOM 530 CA GLN A 35 5.302 6.343 -4.809 1.00 0.59 C ATOM 531 C GLN A 35 5.157 4.864 -5.116 1.00 0.52 C ATOM 532 O GLN A 35 4.384 4.164 -4.462 1.00 0.58 O ATOM 533 CB GLN A 35 6.026 6.550 -3.477 1.00 0.58 C ATOM 534 CG GLN A 35 6.373 8.005 -3.202 1.00 0.82 C ATOM 535 CD GLN A 35 7.516 8.510 -4.064 1.00 0.75 C ATOM 536 OE1 GLN A 35 8.679 8.451 -3.670 1.00 1.50 O ATOM 537 NE2 GLN A 35 7.197 8.999 -5.250 1.00 0.78 N ATOM 0 HA GLN A 35 5.897 6.811 -5.593 1.00 0.59 H new ATOM 0 HB2 GLN A 35 5.399 6.174 -2.668 1.00 0.58 H new ATOM 0 HB3 GLN A 35 6.941 5.958 -3.473 1.00 0.58 H new ATOM 0 HG2 GLN A 35 5.492 8.623 -3.376 1.00 0.82 H new ATOM 0 HG3 GLN A 35 6.639 8.118 -2.151 1.00 0.82 H new ATOM 0 HE21 GLN A 35 6.220 9.032 -5.542 1.00 0.78 H new ATOM 0 HE22 GLN A 35 7.928 9.344 -5.873 1.00 0.78 H new ATOM 546 N PHE A 36 5.885 4.399 -6.114 1.00 0.47 N ATOM 547 CA PHE A 36 5.780 3.020 -6.553 1.00 0.43 C ATOM 548 C PHE A 36 7.125 2.333 -6.410 1.00 0.39 C ATOM 549 O PHE A 36 8.164 2.989 -6.357 1.00 0.45 O ATOM 550 CB PHE A 36 5.318 2.955 -8.014 1.00 0.48 C ATOM 551 CG PHE A 36 4.069 3.745 -8.295 1.00 0.58 C ATOM 552 CD1 PHE A 36 2.819 3.210 -8.034 1.00 0.68 C ATOM 553 CD2 PHE A 36 4.149 5.025 -8.822 1.00 0.70 C ATOM 554 CE1 PHE A 36 1.672 3.936 -8.291 1.00 0.81 C ATOM 555 CE2 PHE A 36 3.005 5.756 -9.082 1.00 0.83 C ATOM 556 CZ PHE A 36 1.765 5.210 -8.816 1.00 0.87 C ATOM 0 H PHE A 36 6.558 4.959 -6.638 1.00 0.47 H new ATOM 0 HA PHE A 36 5.044 2.511 -5.931 1.00 0.43 H new ATOM 0 HB2 PHE A 36 6.120 3.322 -8.655 1.00 0.48 H new ATOM 0 HB3 PHE A 36 5.145 1.913 -8.284 1.00 0.48 H new ATOM 0 HD1 PHE A 36 2.740 2.214 -7.625 1.00 0.68 H new ATOM 0 HD2 PHE A 36 5.117 5.456 -9.032 1.00 0.70 H new ATOM 0 HE1 PHE A 36 0.703 3.507 -8.081 1.00 0.81 H new ATOM 0 HE2 PHE A 36 3.081 6.752 -9.492 1.00 0.83 H new ATOM 0 HZ PHE A 36 0.869 5.778 -9.018 1.00 0.87 H new ATOM 566 N ILE A 37 7.109 1.021 -6.328 1.00 0.36 N ATOM 567 CA ILE A 37 8.339 0.259 -6.279 1.00 0.33 C ATOM 568 C ILE A 37 8.757 -0.124 -7.691 1.00 0.33 C ATOM 569 O ILE A 37 8.105 -0.929 -8.354 1.00 0.38 O ATOM 570 CB ILE A 37 8.192 -1.002 -5.403 1.00 0.34 C ATOM 571 CG1 ILE A 37 7.699 -0.615 -4.006 1.00 0.39 C ATOM 572 CG2 ILE A 37 9.516 -1.752 -5.313 1.00 0.33 C ATOM 573 CD1 ILE A 37 8.601 0.367 -3.289 1.00 0.38 C ATOM 0 H ILE A 37 6.259 0.459 -6.294 1.00 0.36 H new ATOM 0 HA ILE A 37 9.109 0.883 -5.826 1.00 0.33 H new ATOM 0 HB ILE A 37 7.458 -1.663 -5.864 1.00 0.34 H new ATOM 0 HG12 ILE A 37 6.702 -0.183 -4.090 1.00 0.39 H new ATOM 0 HG13 ILE A 37 7.606 -1.517 -3.401 1.00 0.39 H new ATOM 0 HG21 ILE A 37 9.391 -2.638 -4.691 1.00 0.33 H new ATOM 0 HG22 ILE A 37 9.833 -2.052 -6.312 1.00 0.33 H new ATOM 0 HG23 ILE A 37 10.273 -1.103 -4.872 1.00 0.33 H new ATOM 0 HD11 ILE A 37 8.186 0.592 -2.307 1.00 0.38 H new ATOM 0 HD12 ILE A 37 9.593 -0.069 -3.172 1.00 0.38 H new ATOM 0 HD13 ILE A 37 8.675 1.285 -3.871 1.00 0.38 H new ATOM 585 N ARG A 38 9.835 0.500 -8.143 1.00 0.34 N ATOM 586 CA ARG A 38 10.354 0.307 -9.487 1.00 0.41 C ATOM 587 C ARG A 38 10.793 -1.139 -9.670 1.00 0.40 C ATOM 588 O ARG A 38 10.443 -1.790 -10.652 1.00 0.49 O ATOM 589 CB ARG A 38 11.530 1.256 -9.703 1.00 0.50 C ATOM 590 CG ARG A 38 11.984 1.398 -11.144 1.00 0.67 C ATOM 591 CD ARG A 38 13.240 2.247 -11.217 1.00 1.24 C ATOM 592 NE ARG A 38 13.607 2.607 -12.585 1.00 1.56 N ATOM 593 CZ ARG A 38 14.797 2.348 -13.124 1.00 2.17 C ATOM 594 NH1 ARG A 38 15.665 1.582 -12.477 1.00 2.83 N ATOM 595 NH2 ARG A 38 15.107 2.826 -14.324 1.00 2.62 N ATOM 0 H ARG A 38 10.377 1.158 -7.583 1.00 0.34 H new ATOM 0 HA ARG A 38 9.577 0.523 -10.221 1.00 0.41 H new ATOM 0 HB2 ARG A 38 11.256 2.241 -9.325 1.00 0.50 H new ATOM 0 HB3 ARG A 38 12.372 0.908 -9.105 1.00 0.50 H new ATOM 0 HG2 ARG A 38 12.176 0.414 -11.571 1.00 0.67 H new ATOM 0 HG3 ARG A 38 11.193 1.854 -11.739 1.00 0.67 H new ATOM 0 HD2 ARG A 38 13.091 3.157 -10.635 1.00 1.24 H new ATOM 0 HD3 ARG A 38 14.066 1.705 -10.756 1.00 1.24 H new ATOM 0 HE ARG A 38 12.912 3.084 -13.160 1.00 1.56 H new ATOM 0 HH11 ARG A 38 15.421 1.191 -11.567 1.00 2.83 H new ATOM 0 HH12 ARG A 38 16.576 1.383 -12.890 1.00 2.83 H new ATOM 0 HH21 ARG A 38 14.432 3.394 -14.837 1.00 2.62 H new ATOM 0 HH22 ARG A 38 16.020 2.625 -14.733 1.00 2.62 H new ATOM 609 N SER A 39 11.555 -1.626 -8.702 1.00 0.36 N ATOM 610 CA SER A 39 12.030 -3.000 -8.684 1.00 0.40 C ATOM 611 C SER A 39 12.482 -3.338 -7.271 1.00 0.32 C ATOM 612 O SER A 39 12.735 -2.439 -6.470 1.00 0.37 O ATOM 613 CB SER A 39 13.202 -3.195 -9.656 1.00 0.54 C ATOM 614 OG SER A 39 12.867 -2.794 -10.975 1.00 1.26 O ATOM 0 H SER A 39 11.863 -1.074 -7.901 1.00 0.36 H new ATOM 0 HA SER A 39 11.219 -3.658 -8.997 1.00 0.40 H new ATOM 0 HB2 SER A 39 14.061 -2.621 -9.309 1.00 0.54 H new ATOM 0 HB3 SER A 39 13.500 -4.243 -9.660 1.00 0.54 H new ATOM 0 HG SER A 39 11.895 -2.688 -11.048 1.00 1.26 H new ATOM 620 N VAL A 40 12.567 -4.615 -6.956 1.00 0.36 N ATOM 621 CA VAL A 40 13.097 -5.041 -5.674 1.00 0.30 C ATOM 622 C VAL A 40 14.267 -5.992 -5.900 1.00 0.31 C ATOM 623 O VAL A 40 14.189 -6.908 -6.725 1.00 0.37 O ATOM 624 CB VAL A 40 12.011 -5.702 -4.786 1.00 0.33 C ATOM 625 CG1 VAL A 40 11.431 -6.944 -5.439 1.00 0.37 C ATOM 626 CG2 VAL A 40 12.569 -6.031 -3.411 1.00 0.32 C ATOM 0 H VAL A 40 12.276 -5.376 -7.569 1.00 0.36 H new ATOM 0 HA VAL A 40 13.445 -4.158 -5.138 1.00 0.30 H new ATOM 0 HB VAL A 40 11.200 -4.983 -4.670 1.00 0.33 H new ATOM 0 HG11 VAL A 40 10.674 -7.378 -4.786 1.00 0.37 H new ATOM 0 HG12 VAL A 40 10.977 -6.675 -6.393 1.00 0.37 H new ATOM 0 HG13 VAL A 40 12.225 -7.671 -5.607 1.00 0.37 H new ATOM 0 HG21 VAL A 40 11.791 -6.494 -2.804 1.00 0.32 H new ATOM 0 HG22 VAL A 40 13.407 -6.720 -3.514 1.00 0.32 H new ATOM 0 HG23 VAL A 40 12.909 -5.115 -2.928 1.00 0.32 H new ATOM 636 N ASP A 41 15.363 -5.751 -5.197 1.00 0.35 N ATOM 637 CA ASP A 41 16.559 -6.562 -5.363 1.00 0.45 C ATOM 638 C ASP A 41 16.361 -7.915 -4.703 1.00 0.48 C ATOM 639 O ASP A 41 15.996 -7.990 -3.534 1.00 0.51 O ATOM 640 CB ASP A 41 17.789 -5.863 -4.770 1.00 0.54 C ATOM 641 CG ASP A 41 18.133 -4.564 -5.475 1.00 1.27 C ATOM 642 OD1 ASP A 41 18.299 -4.578 -6.712 1.00 1.32 O ATOM 643 OD2 ASP A 41 18.215 -3.512 -4.800 1.00 2.28 O ATOM 0 H ASP A 41 15.449 -5.003 -4.509 1.00 0.35 H new ATOM 0 HA ASP A 41 16.731 -6.701 -6.430 1.00 0.45 H new ATOM 0 HB2 ASP A 41 17.610 -5.660 -3.714 1.00 0.54 H new ATOM 0 HB3 ASP A 41 18.644 -6.537 -4.825 1.00 0.54 H new ATOM 648 N PRO A 42 16.570 -9.001 -5.456 1.00 0.58 N ATOM 649 CA PRO A 42 16.423 -10.362 -4.940 1.00 0.69 C ATOM 650 C PRO A 42 17.342 -10.627 -3.755 1.00 0.69 C ATOM 651 O PRO A 42 18.483 -10.156 -3.727 1.00 1.17 O ATOM 652 CB PRO A 42 16.809 -11.248 -6.129 1.00 0.84 C ATOM 653 CG PRO A 42 16.627 -10.382 -7.325 1.00 0.93 C ATOM 654 CD PRO A 42 16.947 -8.987 -6.876 1.00 0.69 C ATOM 0 HA PRO A 42 15.415 -10.550 -4.570 1.00 0.69 H new ATOM 0 HB2 PRO A 42 17.839 -11.595 -6.045 1.00 0.84 H new ATOM 0 HB3 PRO A 42 16.177 -12.135 -6.183 1.00 0.84 H new ATOM 0 HG2 PRO A 42 17.286 -10.692 -8.136 1.00 0.93 H new ATOM 0 HG3 PRO A 42 15.606 -10.446 -7.702 1.00 0.93 H new ATOM 0 HD2 PRO A 42 18.003 -8.752 -7.011 1.00 0.69 H new ATOM 0 HD3 PRO A 42 16.381 -8.243 -7.436 1.00 0.69 H new ATOM 662 N ASP A 43 16.826 -11.375 -2.783 1.00 0.75 N ATOM 663 CA ASP A 43 17.557 -11.690 -1.560 1.00 0.87 C ATOM 664 C ASP A 43 17.826 -10.428 -0.752 1.00 0.70 C ATOM 665 O ASP A 43 18.958 -10.162 -0.344 1.00 0.86 O ATOM 666 CB ASP A 43 18.878 -12.416 -1.853 1.00 1.14 C ATOM 667 CG ASP A 43 18.682 -13.842 -2.322 1.00 1.69 C ATOM 668 OD1 ASP A 43 18.137 -14.657 -1.549 1.00 1.92 O ATOM 669 OD2 ASP A 43 19.087 -14.162 -3.461 1.00 2.40 O ATOM 0 H ASP A 43 15.890 -11.779 -2.821 1.00 0.75 H new ATOM 0 HA ASP A 43 16.928 -12.361 -0.975 1.00 0.87 H new ATOM 0 HB2 ASP A 43 19.429 -11.862 -2.614 1.00 1.14 H new ATOM 0 HB3 ASP A 43 19.492 -12.417 -0.952 1.00 1.14 H new ATOM 674 N SER A 44 16.781 -9.648 -0.539 1.00 0.57 N ATOM 675 CA SER A 44 16.879 -8.444 0.270 1.00 0.48 C ATOM 676 C SER A 44 15.821 -8.457 1.363 1.00 0.40 C ATOM 677 O SER A 44 14.814 -9.162 1.247 1.00 0.39 O ATOM 678 CB SER A 44 16.694 -7.205 -0.608 1.00 0.47 C ATOM 679 OG SER A 44 15.393 -7.180 -1.172 1.00 0.46 O ATOM 0 H SER A 44 15.851 -9.827 -0.916 1.00 0.57 H new ATOM 0 HA SER A 44 17.867 -8.414 0.730 1.00 0.48 H new ATOM 0 HB2 SER A 44 16.856 -6.305 -0.015 1.00 0.47 H new ATOM 0 HB3 SER A 44 17.440 -7.201 -1.402 1.00 0.47 H new ATOM 0 HG SER A 44 15.394 -7.673 -2.019 1.00 0.46 H new ATOM 685 N PRO A 45 16.024 -7.684 2.442 1.00 0.43 N ATOM 686 CA PRO A 45 15.000 -7.489 3.465 1.00 0.45 C ATOM 687 C PRO A 45 13.720 -6.909 2.861 1.00 0.38 C ATOM 688 O PRO A 45 12.623 -7.142 3.362 1.00 0.39 O ATOM 689 CB PRO A 45 15.627 -6.495 4.451 1.00 0.57 C ATOM 690 CG PRO A 45 16.807 -5.920 3.744 1.00 0.65 C ATOM 691 CD PRO A 45 17.264 -6.965 2.768 1.00 0.52 C ATOM 0 HA PRO A 45 14.713 -8.427 3.940 1.00 0.45 H new ATOM 0 HB2 PRO A 45 14.917 -5.715 4.727 1.00 0.57 H new ATOM 0 HB3 PRO A 45 15.927 -6.993 5.373 1.00 0.57 H new ATOM 0 HG2 PRO A 45 16.540 -4.997 3.229 1.00 0.65 H new ATOM 0 HG3 PRO A 45 17.601 -5.673 4.449 1.00 0.65 H new ATOM 0 HD2 PRO A 45 17.716 -6.519 1.882 1.00 0.52 H new ATOM 0 HD3 PRO A 45 18.010 -7.627 3.207 1.00 0.52 H new ATOM 699 N ALA A 46 13.875 -6.166 1.766 1.00 0.35 N ATOM 700 CA ALA A 46 12.740 -5.605 1.051 1.00 0.33 C ATOM 701 C ALA A 46 11.880 -6.716 0.461 1.00 0.30 C ATOM 702 O ALA A 46 10.670 -6.767 0.689 1.00 0.31 O ATOM 703 CB ALA A 46 13.214 -4.659 -0.041 1.00 0.36 C ATOM 0 H ALA A 46 14.782 -5.940 1.357 1.00 0.35 H new ATOM 0 HA ALA A 46 12.133 -5.038 1.757 1.00 0.33 H new ATOM 0 HB1 ALA A 46 12.352 -4.248 -0.566 1.00 0.36 H new ATOM 0 HB2 ALA A 46 13.788 -3.847 0.405 1.00 0.36 H new ATOM 0 HB3 ALA A 46 13.843 -5.203 -0.746 1.00 0.36 H new ATOM 709 N GLU A 47 12.512 -7.620 -0.274 1.00 0.31 N ATOM 710 CA GLU A 47 11.807 -8.749 -0.860 1.00 0.33 C ATOM 711 C GLU A 47 11.253 -9.667 0.230 1.00 0.34 C ATOM 712 O GLU A 47 10.139 -10.185 0.116 1.00 0.40 O ATOM 713 CB GLU A 47 12.739 -9.519 -1.799 1.00 0.40 C ATOM 714 CG GLU A 47 12.128 -10.793 -2.353 1.00 0.53 C ATOM 715 CD GLU A 47 12.996 -11.458 -3.399 1.00 1.12 C ATOM 716 OE1 GLU A 47 14.123 -11.875 -3.058 1.00 1.51 O ATOM 717 OE2 GLU A 47 12.558 -11.566 -4.563 1.00 2.01 O ATOM 0 H GLU A 47 13.511 -7.593 -0.478 1.00 0.31 H new ATOM 0 HA GLU A 47 10.964 -8.372 -1.439 1.00 0.33 H new ATOM 0 HB2 GLU A 47 13.021 -8.871 -2.629 1.00 0.40 H new ATOM 0 HB3 GLU A 47 13.655 -9.769 -1.264 1.00 0.40 H new ATOM 0 HG2 GLU A 47 11.954 -11.492 -1.535 1.00 0.53 H new ATOM 0 HG3 GLU A 47 11.155 -10.564 -2.788 1.00 0.53 H new ATOM 724 N ALA A 48 12.025 -9.842 1.296 1.00 0.34 N ATOM 725 CA ALA A 48 11.618 -10.686 2.413 1.00 0.38 C ATOM 726 C ALA A 48 10.410 -10.101 3.143 1.00 0.37 C ATOM 727 O ALA A 48 9.549 -10.839 3.619 1.00 0.47 O ATOM 728 CB ALA A 48 12.776 -10.882 3.377 1.00 0.44 C ATOM 0 H ALA A 48 12.941 -9.408 1.410 1.00 0.34 H new ATOM 0 HA ALA A 48 11.326 -11.656 2.010 1.00 0.38 H new ATOM 0 HB1 ALA A 48 12.457 -11.514 4.206 1.00 0.44 H new ATOM 0 HB2 ALA A 48 13.606 -11.359 2.856 1.00 0.44 H new ATOM 0 HB3 ALA A 48 13.097 -9.914 3.762 1.00 0.44 H new ATOM 734 N SER A 49 10.347 -8.771 3.214 1.00 0.31 N ATOM 735 CA SER A 49 9.257 -8.083 3.894 1.00 0.32 C ATOM 736 C SER A 49 7.950 -8.212 3.107 1.00 0.35 C ATOM 737 O SER A 49 6.867 -7.931 3.627 1.00 0.40 O ATOM 738 CB SER A 49 9.620 -6.605 4.094 1.00 0.32 C ATOM 739 OG SER A 49 9.569 -5.888 2.875 1.00 0.31 O ATOM 0 H SER A 49 11.044 -8.148 2.805 1.00 0.31 H new ATOM 0 HA SER A 49 9.107 -8.549 4.868 1.00 0.32 H new ATOM 0 HB2 SER A 49 8.934 -6.155 4.811 1.00 0.32 H new ATOM 0 HB3 SER A 49 10.620 -6.530 4.520 1.00 0.32 H new ATOM 0 HG SER A 49 9.839 -6.475 2.138 1.00 0.31 H new ATOM 745 N GLY A 50 8.061 -8.634 1.848 1.00 0.36 N ATOM 746 CA GLY A 50 6.885 -8.847 1.024 1.00 0.43 C ATOM 747 C GLY A 50 6.736 -7.809 -0.071 1.00 0.43 C ATOM 748 O GLY A 50 5.727 -7.782 -0.775 1.00 0.62 O ATOM 0 H GLY A 50 8.948 -8.832 1.385 1.00 0.36 H new ATOM 0 HA2 GLY A 50 6.938 -9.838 0.573 1.00 0.43 H new ATOM 0 HA3 GLY A 50 5.997 -8.831 1.656 1.00 0.43 H new ATOM 752 N LEU A 51 7.744 -6.958 -0.223 1.00 0.41 N ATOM 753 CA LEU A 51 7.710 -5.888 -1.213 1.00 0.40 C ATOM 754 C LEU A 51 7.972 -6.442 -2.611 1.00 0.48 C ATOM 755 O LEU A 51 8.926 -7.194 -2.818 1.00 0.65 O ATOM 756 CB LEU A 51 8.756 -4.828 -0.863 1.00 0.38 C ATOM 757 CG LEU A 51 8.615 -3.500 -1.601 1.00 0.35 C ATOM 758 CD1 LEU A 51 7.348 -2.785 -1.163 1.00 0.38 C ATOM 759 CD2 LEU A 51 9.836 -2.629 -1.358 1.00 0.37 C ATOM 0 H LEU A 51 8.600 -6.989 0.331 1.00 0.41 H new ATOM 0 HA LEU A 51 6.720 -5.433 -1.204 1.00 0.40 H new ATOM 0 HB2 LEU A 51 8.709 -4.635 0.209 1.00 0.38 H new ATOM 0 HB3 LEU A 51 9.745 -5.236 -1.070 1.00 0.38 H new ATOM 0 HG LEU A 51 8.544 -3.699 -2.670 1.00 0.35 H new ATOM 0 HD11 LEU A 51 7.261 -1.839 -1.698 1.00 0.38 H new ATOM 0 HD12 LEU A 51 6.483 -3.409 -1.386 1.00 0.38 H new ATOM 0 HD13 LEU A 51 7.391 -2.593 -0.091 1.00 0.38 H new ATOM 0 HD21 LEU A 51 9.721 -1.685 -1.891 1.00 0.37 H new ATOM 0 HD22 LEU A 51 9.937 -2.433 -0.290 1.00 0.37 H new ATOM 0 HD23 LEU A 51 10.727 -3.143 -1.718 1.00 0.37 H new ATOM 771 N ARG A 52 7.119 -6.081 -3.564 1.00 0.53 N ATOM 772 CA ARG A 52 7.280 -6.528 -4.941 1.00 0.65 C ATOM 773 C ARG A 52 7.343 -5.343 -5.894 1.00 0.55 C ATOM 774 O ARG A 52 7.563 -4.209 -5.477 1.00 0.61 O ATOM 775 CB ARG A 52 6.139 -7.470 -5.348 1.00 0.86 C ATOM 776 CG ARG A 52 6.145 -8.788 -4.606 1.00 1.23 C ATOM 777 CD ARG A 52 7.476 -9.505 -4.752 1.00 2.05 C ATOM 778 NE ARG A 52 7.531 -10.741 -3.974 1.00 2.59 N ATOM 779 CZ ARG A 52 8.593 -11.544 -3.935 1.00 3.57 C ATOM 780 NH1 ARG A 52 9.694 -11.224 -4.610 1.00 4.13 N ATOM 781 NH2 ARG A 52 8.558 -12.663 -3.224 1.00 4.38 N ATOM 0 H ARG A 52 6.310 -5.480 -3.407 1.00 0.53 H new ATOM 0 HA ARG A 52 8.221 -7.074 -5.003 1.00 0.65 H new ATOM 0 HB2 ARG A 52 5.187 -6.969 -5.174 1.00 0.86 H new ATOM 0 HB3 ARG A 52 6.205 -7.665 -6.418 1.00 0.86 H new ATOM 0 HG2 ARG A 52 5.939 -8.613 -3.550 1.00 1.23 H new ATOM 0 HG3 ARG A 52 5.345 -9.424 -4.985 1.00 1.23 H new ATOM 0 HD2 ARG A 52 7.649 -9.733 -5.804 1.00 2.05 H new ATOM 0 HD3 ARG A 52 8.280 -8.842 -4.433 1.00 2.05 H new ATOM 0 HE ARG A 52 6.709 -11.004 -3.430 1.00 2.59 H new ATOM 0 HH11 ARG A 52 9.725 -10.364 -5.157 1.00 4.13 H new ATOM 0 HH12 ARG A 52 10.507 -11.839 -4.580 1.00 4.13 H new ATOM 0 HH21 ARG A 52 7.716 -12.911 -2.705 1.00 4.38 H new ATOM 0 HH22 ARG A 52 9.373 -13.275 -3.197 1.00 4.38 H new ATOM 795 N ALA A 53 7.151 -5.614 -7.176 1.00 0.53 N ATOM 796 CA ALA A 53 7.239 -4.582 -8.199 1.00 0.54 C ATOM 797 C ALA A 53 5.895 -3.900 -8.410 1.00 0.61 C ATOM 798 O ALA A 53 4.849 -4.551 -8.399 1.00 1.44 O ATOM 799 CB ALA A 53 7.747 -5.176 -9.506 1.00 0.68 C ATOM 0 H ALA A 53 6.932 -6.544 -7.534 1.00 0.53 H new ATOM 0 HA ALA A 53 7.947 -3.827 -7.858 1.00 0.54 H new ATOM 0 HB1 ALA A 53 7.808 -4.393 -10.262 1.00 0.68 H new ATOM 0 HB2 ALA A 53 8.736 -5.607 -9.350 1.00 0.68 H new ATOM 0 HB3 ALA A 53 7.061 -5.953 -9.843 1.00 0.68 H new ATOM 805 N GLN A 54 5.948 -2.580 -8.593 1.00 0.65 N ATOM 806 CA GLN A 54 4.772 -1.752 -8.874 1.00 0.74 C ATOM 807 C GLN A 54 3.854 -1.625 -7.661 1.00 0.59 C ATOM 808 O GLN A 54 2.700 -1.214 -7.789 1.00 0.67 O ATOM 809 CB GLN A 54 3.994 -2.281 -10.084 1.00 0.99 C ATOM 810 CG GLN A 54 4.761 -2.176 -11.393 1.00 1.46 C ATOM 811 CD GLN A 54 5.079 -0.742 -11.783 1.00 2.34 C ATOM 812 OE1 GLN A 54 6.105 -0.475 -12.407 1.00 2.99 O ATOM 813 NE2 GLN A 54 4.198 0.188 -11.433 1.00 3.06 N ATOM 0 H GLN A 54 6.818 -2.049 -8.550 1.00 0.65 H new ATOM 0 HA GLN A 54 5.142 -0.754 -9.112 1.00 0.74 H new ATOM 0 HB2 GLN A 54 3.731 -3.324 -9.909 1.00 0.99 H new ATOM 0 HB3 GLN A 54 3.059 -1.728 -10.175 1.00 0.99 H new ATOM 0 HG2 GLN A 54 5.691 -2.738 -11.309 1.00 1.46 H new ATOM 0 HG3 GLN A 54 4.178 -2.642 -12.187 1.00 1.46 H new ATOM 0 HE21 GLN A 54 3.359 -0.074 -10.916 1.00 3.06 H new ATOM 0 HE22 GLN A 54 4.361 1.164 -11.682 1.00 3.06 H new ATOM 822 N ASP A 55 4.372 -1.970 -6.493 1.00 0.47 N ATOM 823 CA ASP A 55 3.647 -1.759 -5.247 1.00 0.45 C ATOM 824 C ASP A 55 3.556 -0.267 -4.943 1.00 0.39 C ATOM 825 O ASP A 55 4.565 0.440 -4.973 1.00 0.48 O ATOM 826 CB ASP A 55 4.336 -2.492 -4.090 1.00 0.50 C ATOM 827 CG ASP A 55 3.900 -3.940 -3.960 1.00 0.67 C ATOM 828 OD1 ASP A 55 4.434 -4.801 -4.688 1.00 1.02 O ATOM 829 OD2 ASP A 55 3.020 -4.223 -3.123 1.00 1.01 O ATOM 0 H ASP A 55 5.291 -2.397 -6.380 1.00 0.47 H new ATOM 0 HA ASP A 55 2.640 -2.162 -5.359 1.00 0.45 H new ATOM 0 HB2 ASP A 55 5.416 -2.455 -4.236 1.00 0.50 H new ATOM 0 HB3 ASP A 55 4.122 -1.969 -3.158 1.00 0.50 H new ATOM 834 N ARG A 56 2.350 0.218 -4.680 1.00 0.38 N ATOM 835 CA ARG A 56 2.143 1.631 -4.395 1.00 0.42 C ATOM 836 C ARG A 56 2.208 1.890 -2.895 1.00 0.39 C ATOM 837 O ARG A 56 1.467 1.285 -2.122 1.00 0.39 O ATOM 838 CB ARG A 56 0.802 2.085 -4.978 1.00 0.56 C ATOM 839 CG ARG A 56 0.449 3.537 -4.702 1.00 0.78 C ATOM 840 CD ARG A 56 -0.497 3.654 -3.518 1.00 0.79 C ATOM 841 NE ARG A 56 -1.097 4.981 -3.414 1.00 0.89 N ATOM 842 CZ ARG A 56 -2.370 5.238 -3.713 1.00 0.91 C ATOM 843 NH1 ARG A 56 -3.141 4.281 -4.214 1.00 1.51 N ATOM 844 NH2 ARG A 56 -2.868 6.455 -3.541 1.00 1.57 N ATOM 0 H ARG A 56 1.501 -0.346 -4.658 1.00 0.38 H new ATOM 0 HA ARG A 56 2.938 2.211 -4.864 1.00 0.42 H new ATOM 0 HB2 ARG A 56 0.818 1.928 -6.056 1.00 0.56 H new ATOM 0 HB3 ARG A 56 0.013 1.450 -4.575 1.00 0.56 H new ATOM 0 HG2 ARG A 56 1.358 4.104 -4.503 1.00 0.78 H new ATOM 0 HG3 ARG A 56 -0.013 3.977 -5.586 1.00 0.78 H new ATOM 0 HD2 ARG A 56 -1.286 2.908 -3.612 1.00 0.79 H new ATOM 0 HD3 ARG A 56 0.046 3.431 -2.599 1.00 0.79 H new ATOM 0 HE ARG A 56 -0.511 5.752 -3.096 1.00 0.89 H new ATOM 0 HH11 ARG A 56 -2.759 3.348 -4.370 1.00 1.51 H new ATOM 0 HH12 ARG A 56 -4.115 4.478 -4.443 1.00 1.51 H new ATOM 0 HH21 ARG A 56 -2.276 7.202 -3.178 1.00 1.57 H new ATOM 0 HH22 ARG A 56 -3.843 6.644 -3.772 1.00 1.57 H new ATOM 858 N ILE A 57 3.097 2.791 -2.494 1.00 0.40 N ATOM 859 CA ILE A 57 3.289 3.104 -1.083 1.00 0.38 C ATOM 860 C ILE A 57 2.240 4.101 -0.602 1.00 0.38 C ATOM 861 O ILE A 57 2.099 5.191 -1.162 1.00 0.49 O ATOM 862 CB ILE A 57 4.698 3.678 -0.814 1.00 0.46 C ATOM 863 CG1 ILE A 57 5.773 2.707 -1.313 1.00 0.53 C ATOM 864 CG2 ILE A 57 4.884 3.967 0.672 1.00 0.45 C ATOM 865 CD1 ILE A 57 7.187 3.216 -1.136 1.00 0.68 C ATOM 0 H ILE A 57 3.697 3.319 -3.128 1.00 0.40 H new ATOM 0 HA ILE A 57 3.182 2.170 -0.532 1.00 0.38 H new ATOM 0 HB ILE A 57 4.800 4.616 -1.360 1.00 0.46 H new ATOM 0 HG12 ILE A 57 5.669 1.761 -0.782 1.00 0.53 H new ATOM 0 HG13 ILE A 57 5.601 2.501 -2.369 1.00 0.53 H new ATOM 0 HG21 ILE A 57 5.882 4.371 0.842 1.00 0.45 H new ATOM 0 HG22 ILE A 57 4.139 4.693 0.998 1.00 0.45 H new ATOM 0 HG23 ILE A 57 4.764 3.044 1.240 1.00 0.45 H new ATOM 0 HD11 ILE A 57 7.891 2.474 -1.512 1.00 0.68 H new ATOM 0 HD12 ILE A 57 7.311 4.147 -1.690 1.00 0.68 H new ATOM 0 HD13 ILE A 57 7.380 3.395 -0.078 1.00 0.68 H new ATOM 877 N VAL A 58 1.519 3.716 0.442 1.00 0.29 N ATOM 878 CA VAL A 58 0.472 4.549 1.010 1.00 0.32 C ATOM 879 C VAL A 58 0.926 5.174 2.328 1.00 0.30 C ATOM 880 O VAL A 58 0.723 6.363 2.568 1.00 0.37 O ATOM 881 CB VAL A 58 -0.814 3.735 1.259 1.00 0.37 C ATOM 882 CG1 VAL A 58 -1.933 4.635 1.757 1.00 0.87 C ATOM 883 CG2 VAL A 58 -1.241 2.998 -0.001 1.00 0.62 C ATOM 0 H VAL A 58 1.644 2.822 0.916 1.00 0.29 H new ATOM 0 HA VAL A 58 0.263 5.338 0.288 1.00 0.32 H new ATOM 0 HB VAL A 58 -0.601 2.995 2.030 1.00 0.37 H new ATOM 0 HG11 VAL A 58 -2.831 4.040 1.926 1.00 0.87 H new ATOM 0 HG12 VAL A 58 -1.631 5.109 2.691 1.00 0.87 H new ATOM 0 HG13 VAL A 58 -2.142 5.403 1.012 1.00 0.87 H new ATOM 0 HG21 VAL A 58 -2.150 2.431 0.200 1.00 0.62 H new ATOM 0 HG22 VAL A 58 -1.431 3.718 -0.797 1.00 0.62 H new ATOM 0 HG23 VAL A 58 -0.449 2.316 -0.310 1.00 0.62 H new ATOM 893 N GLU A 59 1.541 4.367 3.182 1.00 0.24 N ATOM 894 CA GLU A 59 2.021 4.841 4.477 1.00 0.25 C ATOM 895 C GLU A 59 3.446 4.372 4.720 1.00 0.22 C ATOM 896 O GLU A 59 3.872 3.349 4.181 1.00 0.23 O ATOM 897 CB GLU A 59 1.126 4.349 5.623 1.00 0.29 C ATOM 898 CG GLU A 59 -0.295 4.888 5.581 1.00 0.40 C ATOM 899 CD GLU A 59 -1.010 4.743 6.912 1.00 0.44 C ATOM 900 OE1 GLU A 59 -1.422 3.613 7.248 1.00 0.43 O ATOM 901 OE2 GLU A 59 -1.180 5.753 7.620 1.00 0.89 O ATOM 0 H GLU A 59 1.720 3.379 3.003 1.00 0.24 H new ATOM 0 HA GLU A 59 1.991 5.930 4.455 1.00 0.25 H new ATOM 0 HB2 GLU A 59 1.090 3.260 5.599 1.00 0.29 H new ATOM 0 HB3 GLU A 59 1.582 4.632 6.572 1.00 0.29 H new ATOM 0 HG2 GLU A 59 -0.273 5.940 5.296 1.00 0.40 H new ATOM 0 HG3 GLU A 59 -0.858 4.361 4.810 1.00 0.40 H new ATOM 908 N VAL A 60 4.178 5.125 5.528 1.00 0.22 N ATOM 909 CA VAL A 60 5.532 4.749 5.911 1.00 0.21 C ATOM 910 C VAL A 60 5.661 4.757 7.428 1.00 0.22 C ATOM 911 O VAL A 60 5.414 5.778 8.068 1.00 0.27 O ATOM 912 CB VAL A 60 6.601 5.694 5.311 1.00 0.23 C ATOM 913 CG1 VAL A 60 7.997 5.268 5.745 1.00 0.54 C ATOM 914 CG2 VAL A 60 6.507 5.735 3.794 1.00 0.66 C ATOM 0 H VAL A 60 3.856 6.004 5.933 1.00 0.22 H new ATOM 0 HA VAL A 60 5.709 3.749 5.515 1.00 0.21 H new ATOM 0 HB VAL A 60 6.410 6.698 5.689 1.00 0.23 H new ATOM 0 HG11 VAL A 60 8.735 5.944 5.313 1.00 0.54 H new ATOM 0 HG12 VAL A 60 8.066 5.302 6.832 1.00 0.54 H new ATOM 0 HG13 VAL A 60 8.191 4.252 5.401 1.00 0.54 H new ATOM 0 HG21 VAL A 60 7.270 6.407 3.400 1.00 0.66 H new ATOM 0 HG22 VAL A 60 6.663 4.734 3.393 1.00 0.66 H new ATOM 0 HG23 VAL A 60 5.521 6.094 3.500 1.00 0.66 H new ATOM 924 N ASN A 61 6.018 3.605 7.991 1.00 0.25 N ATOM 925 CA ASN A 61 6.207 3.442 9.438 1.00 0.30 C ATOM 926 C ASN A 61 4.902 3.670 10.194 1.00 0.36 C ATOM 927 O ASN A 61 4.902 3.877 11.408 1.00 0.47 O ATOM 928 CB ASN A 61 7.290 4.394 9.964 1.00 0.39 C ATOM 929 CG ASN A 61 8.648 4.138 9.338 1.00 0.53 C ATOM 930 OD1 ASN A 61 8.973 3.011 8.972 1.00 1.17 O ATOM 931 ND2 ASN A 61 9.445 5.186 9.201 1.00 0.61 N ATOM 0 H ASN A 61 6.186 2.752 7.457 1.00 0.25 H new ATOM 0 HA ASN A 61 6.532 2.416 9.609 1.00 0.30 H new ATOM 0 HB2 ASN A 61 6.991 5.423 9.765 1.00 0.39 H new ATOM 0 HB3 ASN A 61 7.367 4.288 11.046 1.00 0.39 H new ATOM 0 HD21 ASN A 61 10.367 5.074 8.778 1.00 0.61 H new ATOM 0 HD22 ASN A 61 9.138 6.105 9.518 1.00 0.61 H new ATOM 938 N GLY A 62 3.791 3.605 9.476 1.00 0.37 N ATOM 939 CA GLY A 62 2.499 3.844 10.085 1.00 0.50 C ATOM 940 C GLY A 62 2.062 5.293 9.972 1.00 0.51 C ATOM 941 O GLY A 62 1.032 5.681 10.522 1.00 0.66 O ATOM 0 H GLY A 62 3.761 3.390 8.479 1.00 0.37 H new ATOM 0 HA2 GLY A 62 1.754 3.205 9.611 1.00 0.50 H new ATOM 0 HA3 GLY A 62 2.539 3.561 11.137 1.00 0.50 H new ATOM 945 N VAL A 63 2.852 6.093 9.269 1.00 0.42 N ATOM 946 CA VAL A 63 2.516 7.494 9.032 1.00 0.50 C ATOM 947 C VAL A 63 1.897 7.665 7.649 1.00 0.43 C ATOM 948 O VAL A 63 2.457 7.209 6.648 1.00 0.39 O ATOM 949 CB VAL A 63 3.760 8.404 9.151 1.00 0.61 C ATOM 950 CG1 VAL A 63 3.381 9.871 8.982 1.00 0.98 C ATOM 951 CG2 VAL A 63 4.459 8.181 10.484 1.00 1.17 C ATOM 0 H VAL A 63 3.734 5.796 8.851 1.00 0.42 H new ATOM 0 HA VAL A 63 1.797 7.790 9.796 1.00 0.50 H new ATOM 0 HB VAL A 63 4.451 8.140 8.350 1.00 0.61 H new ATOM 0 HG11 VAL A 63 4.274 10.490 9.070 1.00 0.98 H new ATOM 0 HG12 VAL A 63 2.932 10.020 8.000 1.00 0.98 H new ATOM 0 HG13 VAL A 63 2.666 10.153 9.755 1.00 0.98 H new ATOM 0 HG21 VAL A 63 5.332 8.830 10.550 1.00 1.17 H new ATOM 0 HG22 VAL A 63 3.772 8.413 11.298 1.00 1.17 H new ATOM 0 HG23 VAL A 63 4.774 7.140 10.560 1.00 1.17 H new ATOM 961 N CYS A 64 0.743 8.322 7.611 1.00 0.49 N ATOM 962 CA CYS A 64 0.013 8.553 6.374 1.00 0.49 C ATOM 963 C CYS A 64 0.848 9.341 5.369 1.00 0.47 C ATOM 964 O CYS A 64 1.245 10.480 5.625 1.00 0.51 O ATOM 965 CB CYS A 64 -1.287 9.297 6.679 1.00 0.59 C ATOM 966 SG CYS A 64 -2.475 8.336 7.643 1.00 1.68 S ATOM 0 H CYS A 64 0.289 8.709 8.438 1.00 0.49 H new ATOM 0 HA CYS A 64 -0.214 7.586 5.926 1.00 0.49 H new ATOM 0 HB2 CYS A 64 -1.051 10.213 7.221 1.00 0.59 H new ATOM 0 HB3 CYS A 64 -1.753 9.594 5.739 1.00 0.59 H new ATOM 0 HG CYS A 64 -1.957 7.182 7.944 1.00 1.68 H new ATOM 972 N MET A 65 1.109 8.726 4.224 1.00 0.48 N ATOM 973 CA MET A 65 1.935 9.341 3.199 1.00 0.53 C ATOM 974 C MET A 65 1.235 9.364 1.849 1.00 0.61 C ATOM 975 O MET A 65 1.626 8.647 0.936 1.00 0.81 O ATOM 976 CB MET A 65 3.268 8.600 3.071 1.00 0.61 C ATOM 977 CG MET A 65 4.213 8.853 4.227 1.00 0.63 C ATOM 978 SD MET A 65 4.733 10.575 4.314 1.00 0.61 S ATOM 979 CE MET A 65 5.638 10.552 5.852 1.00 0.74 C ATOM 0 H MET A 65 0.759 7.799 3.983 1.00 0.48 H new ATOM 0 HA MET A 65 2.117 10.371 3.506 1.00 0.53 H new ATOM 0 HB2 MET A 65 3.074 7.530 2.998 1.00 0.61 H new ATOM 0 HB3 MET A 65 3.754 8.900 2.143 1.00 0.61 H new ATOM 0 HG2 MET A 65 3.725 8.575 5.161 1.00 0.63 H new ATOM 0 HG3 MET A 65 5.091 8.215 4.123 1.00 0.63 H new ATOM 0 HE1 MET A 65 6.477 11.246 5.791 1.00 0.74 H new ATOM 0 HE2 MET A 65 4.978 10.851 6.667 1.00 0.74 H new ATOM 0 HE3 MET A 65 6.013 9.546 6.039 1.00 0.74 H new ATOM 989 N GLU A 66 0.212 10.194 1.719 1.00 0.83 N ATOM 990 CA GLU A 66 -0.430 10.416 0.429 1.00 1.01 C ATOM 991 C GLU A 66 -0.672 11.904 0.218 1.00 1.08 C ATOM 992 O GLU A 66 -1.036 12.622 1.150 1.00 1.86 O ATOM 993 CB GLU A 66 -1.727 9.617 0.302 1.00 1.29 C ATOM 994 CG GLU A 66 -1.504 8.195 -0.199 1.00 2.19 C ATOM 995 CD GLU A 66 -0.850 8.159 -1.574 1.00 3.03 C ATOM 996 OE1 GLU A 66 -1.523 8.470 -2.579 1.00 3.33 O ATOM 997 OE2 GLU A 66 0.344 7.802 -1.658 1.00 3.75 O ATOM 0 H GLU A 66 -0.193 10.726 2.490 1.00 0.83 H new ATOM 0 HA GLU A 66 0.239 10.059 -0.354 1.00 1.01 H new ATOM 0 HB2 GLU A 66 -2.222 9.581 1.273 1.00 1.29 H new ATOM 0 HB3 GLU A 66 -2.401 10.135 -0.380 1.00 1.29 H new ATOM 0 HG2 GLU A 66 -0.878 7.656 0.512 1.00 2.19 H new ATOM 0 HG3 GLU A 66 -2.460 7.673 -0.241 1.00 2.19 H new ATOM 1004 N GLY A 67 -0.440 12.362 -1.004 1.00 1.21 N ATOM 1005 CA GLY A 67 -0.392 13.789 -1.264 1.00 1.36 C ATOM 1006 C GLY A 67 0.992 14.323 -0.960 1.00 1.24 C ATOM 1007 O GLY A 67 1.279 15.508 -1.120 1.00 1.47 O ATOM 0 H GLY A 67 -0.284 11.772 -1.821 1.00 1.21 H new ATOM 0 HA2 GLY A 67 -0.647 13.986 -2.305 1.00 1.36 H new ATOM 0 HA3 GLY A 67 -1.132 14.304 -0.652 1.00 1.36 H new ATOM 1011 N LYS A 68 1.844 13.405 -0.523 1.00 0.97 N ATOM 1012 CA LYS A 68 3.218 13.697 -0.136 1.00 0.87 C ATOM 1013 C LYS A 68 4.101 13.952 -1.346 1.00 0.90 C ATOM 1014 O LYS A 68 3.746 13.615 -2.476 1.00 1.06 O ATOM 1015 CB LYS A 68 3.793 12.526 0.688 1.00 0.73 C ATOM 1016 CG LYS A 68 3.409 11.131 0.179 1.00 1.24 C ATOM 1017 CD LYS A 68 3.965 10.817 -1.206 1.00 2.01 C ATOM 1018 CE LYS A 68 3.037 9.895 -1.995 1.00 2.81 C ATOM 1019 NZ LYS A 68 2.832 8.571 -1.340 1.00 3.36 N ATOM 0 H LYS A 68 1.596 12.420 -0.426 1.00 0.97 H new ATOM 0 HA LYS A 68 3.206 14.604 0.469 1.00 0.87 H new ATOM 0 HB2 LYS A 68 4.880 12.607 0.698 1.00 0.73 H new ATOM 0 HB3 LYS A 68 3.456 12.626 1.720 1.00 0.73 H new ATOM 0 HG2 LYS A 68 3.769 10.383 0.885 1.00 1.24 H new ATOM 0 HG3 LYS A 68 2.322 11.048 0.154 1.00 1.24 H new ATOM 0 HD2 LYS A 68 4.110 11.745 -1.758 1.00 2.01 H new ATOM 0 HD3 LYS A 68 4.944 10.349 -1.107 1.00 2.01 H new ATOM 0 HE2 LYS A 68 2.071 10.384 -2.122 1.00 2.81 H new ATOM 0 HE3 LYS A 68 3.450 9.740 -2.992 1.00 2.81 H new ATOM 0 HZ1 LYS A 68 1.966 8.130 -1.711 1.00 3.36 H new ATOM 0 HZ2 LYS A 68 3.646 7.955 -1.539 1.00 3.36 H new ATOM 0 HZ3 LYS A 68 2.740 8.703 -0.312 1.00 3.36 H new ATOM 1033 N GLN A 69 5.253 14.546 -1.096 1.00 0.87 N ATOM 1034 CA GLN A 69 6.257 14.719 -2.121 1.00 0.93 C ATOM 1035 C GLN A 69 7.308 13.627 -1.961 1.00 0.81 C ATOM 1036 O GLN A 69 7.227 12.820 -1.031 1.00 0.74 O ATOM 1037 CB GLN A 69 6.921 16.103 -2.034 1.00 1.07 C ATOM 1038 CG GLN A 69 6.000 17.293 -2.308 1.00 1.33 C ATOM 1039 CD GLN A 69 5.050 17.610 -1.165 1.00 2.12 C ATOM 1040 OE1 GLN A 69 5.404 18.327 -0.227 1.00 2.64 O ATOM 1041 NE2 GLN A 69 3.827 17.119 -1.252 1.00 2.89 N ATOM 0 H GLN A 69 5.515 14.918 -0.183 1.00 0.87 H new ATOM 0 HA GLN A 69 5.778 14.647 -3.098 1.00 0.93 H new ATOM 0 HB2 GLN A 69 7.350 16.219 -1.039 1.00 1.07 H new ATOM 0 HB3 GLN A 69 7.748 16.135 -2.743 1.00 1.07 H new ATOM 0 HG2 GLN A 69 6.610 18.172 -2.515 1.00 1.33 H new ATOM 0 HG3 GLN A 69 5.417 17.090 -3.207 1.00 1.33 H new ATOM 0 HE21 GLN A 69 3.569 16.529 -2.043 1.00 2.89 H new ATOM 0 HE22 GLN A 69 3.140 17.330 -0.528 1.00 2.89 H new ATOM 1050 N HIS A 70 8.288 13.601 -2.846 1.00 0.84 N ATOM 1051 CA HIS A 70 9.358 12.611 -2.776 1.00 0.79 C ATOM 1052 C HIS A 70 10.164 12.777 -1.487 1.00 0.70 C ATOM 1053 O HIS A 70 10.567 11.794 -0.863 1.00 0.65 O ATOM 1054 CB HIS A 70 10.259 12.754 -4.011 1.00 0.88 C ATOM 1055 CG HIS A 70 11.496 11.907 -3.995 1.00 0.90 C ATOM 1056 ND1 HIS A 70 12.757 12.436 -3.829 1.00 1.42 N ATOM 1057 CD2 HIS A 70 11.667 10.574 -4.155 1.00 1.37 C ATOM 1058 CE1 HIS A 70 13.651 11.469 -3.889 1.00 1.31 C ATOM 1059 NE2 HIS A 70 13.017 10.327 -4.085 1.00 1.13 N ATOM 0 H HIS A 70 8.369 14.254 -3.625 1.00 0.84 H new ATOM 0 HA HIS A 70 8.925 11.611 -2.765 1.00 0.79 H new ATOM 0 HB2 HIS A 70 9.677 12.503 -4.898 1.00 0.88 H new ATOM 0 HB3 HIS A 70 10.554 13.799 -4.108 1.00 0.88 H new ATOM 0 HD2 HIS A 70 10.888 9.842 -4.309 1.00 1.37 H new ATOM 0 HE1 HIS A 70 14.720 11.590 -3.794 1.00 1.31 H new ATOM 0 HE2 HIS A 70 13.458 9.411 -4.170 1.00 1.13 H new ATOM 1068 N GLY A 71 10.374 14.022 -1.083 1.00 0.72 N ATOM 1069 CA GLY A 71 11.133 14.305 0.121 1.00 0.69 C ATOM 1070 C GLY A 71 10.467 13.783 1.382 1.00 0.62 C ATOM 1071 O GLY A 71 11.148 13.327 2.300 1.00 0.62 O ATOM 0 H GLY A 71 10.029 14.848 -1.572 1.00 0.72 H new ATOM 0 HA2 GLY A 71 12.125 13.861 0.031 1.00 0.69 H new ATOM 0 HA3 GLY A 71 11.273 15.382 0.210 1.00 0.69 H new ATOM 1075 N ASP A 72 9.137 13.832 1.428 1.00 0.61 N ATOM 1076 CA ASP A 72 8.398 13.413 2.621 1.00 0.58 C ATOM 1077 C ASP A 72 8.601 11.933 2.894 1.00 0.49 C ATOM 1078 O ASP A 72 8.904 11.532 4.018 1.00 0.44 O ATOM 1079 CB ASP A 72 6.897 13.678 2.471 1.00 0.68 C ATOM 1080 CG ASP A 72 6.560 15.144 2.327 1.00 1.16 C ATOM 1081 OD1 ASP A 72 6.413 15.822 3.360 1.00 1.47 O ATOM 1082 OD2 ASP A 72 6.453 15.630 1.182 1.00 2.03 O ATOM 0 H ASP A 72 8.550 14.155 0.659 1.00 0.61 H new ATOM 0 HA ASP A 72 8.787 13.999 3.454 1.00 0.58 H new ATOM 0 HB2 ASP A 72 6.525 13.140 1.599 1.00 0.68 H new ATOM 0 HB3 ASP A 72 6.376 13.276 3.340 1.00 0.68 H new ATOM 1087 N VAL A 73 8.455 11.129 1.853 1.00 0.50 N ATOM 1088 CA VAL A 73 8.545 9.685 1.995 1.00 0.45 C ATOM 1089 C VAL A 73 9.977 9.238 2.251 1.00 0.44 C ATOM 1090 O VAL A 73 10.218 8.382 3.099 1.00 0.43 O ATOM 1091 CB VAL A 73 7.963 8.941 0.774 1.00 0.51 C ATOM 1092 CG1 VAL A 73 6.447 8.950 0.841 1.00 1.08 C ATOM 1093 CG2 VAL A 73 8.437 9.559 -0.532 1.00 0.97 C ATOM 0 H VAL A 73 8.274 11.451 0.902 1.00 0.50 H new ATOM 0 HA VAL A 73 7.940 9.423 2.863 1.00 0.45 H new ATOM 0 HB VAL A 73 8.320 7.912 0.801 1.00 0.51 H new ATOM 0 HG11 VAL A 73 6.041 8.424 -0.023 1.00 1.08 H new ATOM 0 HG12 VAL A 73 6.120 8.453 1.755 1.00 1.08 H new ATOM 0 HG13 VAL A 73 6.089 9.979 0.840 1.00 1.08 H new ATOM 0 HG21 VAL A 73 8.008 9.011 -1.371 1.00 0.97 H new ATOM 0 HG22 VAL A 73 8.118 10.600 -0.578 1.00 0.97 H new ATOM 0 HG23 VAL A 73 9.525 9.510 -0.584 1.00 0.97 H new ATOM 1103 N VAL A 74 10.922 9.834 1.538 1.00 0.49 N ATOM 1104 CA VAL A 74 12.331 9.512 1.729 1.00 0.53 C ATOM 1105 C VAL A 74 12.776 9.854 3.147 1.00 0.51 C ATOM 1106 O VAL A 74 13.391 9.027 3.825 1.00 0.52 O ATOM 1107 CB VAL A 74 13.230 10.242 0.706 1.00 0.64 C ATOM 1108 CG1 VAL A 74 14.706 10.022 1.015 1.00 0.72 C ATOM 1109 CG2 VAL A 74 12.913 9.767 -0.703 1.00 0.70 C ATOM 0 H VAL A 74 10.741 10.540 0.825 1.00 0.49 H new ATOM 0 HA VAL A 74 12.440 8.439 1.569 1.00 0.53 H new ATOM 0 HB VAL A 74 13.025 11.310 0.777 1.00 0.64 H new ATOM 0 HG11 VAL A 74 15.314 10.547 0.279 1.00 0.72 H new ATOM 0 HG12 VAL A 74 14.930 10.405 2.011 1.00 0.72 H new ATOM 0 HG13 VAL A 74 14.931 8.956 0.977 1.00 0.72 H new ATOM 0 HG21 VAL A 74 13.553 10.288 -1.415 1.00 0.70 H new ATOM 0 HG22 VAL A 74 13.090 8.694 -0.774 1.00 0.70 H new ATOM 0 HG23 VAL A 74 11.868 9.978 -0.932 1.00 0.70 H new ATOM 1119 N SER A 75 12.439 11.058 3.602 1.00 0.51 N ATOM 1120 CA SER A 75 12.820 11.497 4.936 1.00 0.52 C ATOM 1121 C SER A 75 12.180 10.598 5.993 1.00 0.47 C ATOM 1122 O SER A 75 12.805 10.268 6.997 1.00 0.51 O ATOM 1123 CB SER A 75 12.410 12.957 5.157 1.00 0.58 C ATOM 1124 OG SER A 75 12.965 13.479 6.354 1.00 0.66 O ATOM 0 H SER A 75 11.905 11.743 3.067 1.00 0.51 H new ATOM 0 HA SER A 75 13.904 11.425 5.028 1.00 0.52 H new ATOM 0 HB2 SER A 75 12.738 13.560 4.310 1.00 0.58 H new ATOM 0 HB3 SER A 75 11.323 13.028 5.198 1.00 0.58 H new ATOM 0 HG SER A 75 12.686 14.412 6.464 1.00 0.66 H new ATOM 1130 N ALA A 76 10.942 10.179 5.745 1.00 0.42 N ATOM 1131 CA ALA A 76 10.223 9.315 6.677 1.00 0.39 C ATOM 1132 C ALA A 76 10.926 7.974 6.850 1.00 0.37 C ATOM 1133 O ALA A 76 11.095 7.490 7.971 1.00 0.39 O ATOM 1134 CB ALA A 76 8.796 9.100 6.202 1.00 0.39 C ATOM 0 H ALA A 76 10.416 10.424 4.906 1.00 0.42 H new ATOM 0 HA ALA A 76 10.206 9.813 7.647 1.00 0.39 H new ATOM 0 HB1 ALA A 76 8.272 8.454 6.906 1.00 0.39 H new ATOM 0 HB2 ALA A 76 8.284 10.061 6.140 1.00 0.39 H new ATOM 0 HB3 ALA A 76 8.807 8.631 5.218 1.00 0.39 H new ATOM 1140 N ILE A 77 11.332 7.375 5.734 1.00 0.37 N ATOM 1141 CA ILE A 77 12.037 6.101 5.763 1.00 0.39 C ATOM 1142 C ILE A 77 13.362 6.230 6.518 1.00 0.41 C ATOM 1143 O ILE A 77 13.726 5.365 7.314 1.00 0.44 O ATOM 1144 CB ILE A 77 12.305 5.590 4.331 1.00 0.45 C ATOM 1145 CG1 ILE A 77 10.987 5.411 3.577 1.00 0.53 C ATOM 1146 CG2 ILE A 77 13.077 4.277 4.361 1.00 0.50 C ATOM 1147 CD1 ILE A 77 11.165 5.168 2.096 1.00 0.69 C ATOM 0 H ILE A 77 11.184 7.753 4.798 1.00 0.37 H new ATOM 0 HA ILE A 77 11.402 5.383 6.282 1.00 0.39 H new ATOM 0 HB ILE A 77 12.911 6.332 3.811 1.00 0.45 H new ATOM 0 HG12 ILE A 77 10.441 4.574 4.011 1.00 0.53 H new ATOM 0 HG13 ILE A 77 10.373 6.300 3.720 1.00 0.53 H new ATOM 0 HG21 ILE A 77 13.254 3.936 3.341 1.00 0.50 H new ATOM 0 HG22 ILE A 77 14.032 4.428 4.865 1.00 0.50 H new ATOM 0 HG23 ILE A 77 12.498 3.527 4.899 1.00 0.50 H new ATOM 0 HD11 ILE A 77 10.188 5.050 1.627 1.00 0.69 H new ATOM 0 HD12 ILE A 77 11.683 6.016 1.648 1.00 0.69 H new ATOM 0 HD13 ILE A 77 11.752 4.262 1.944 1.00 0.69 H new ATOM 1159 N ARG A 78 14.060 7.335 6.282 1.00 0.43 N ATOM 1160 CA ARG A 78 15.363 7.569 6.896 1.00 0.50 C ATOM 1161 C ARG A 78 15.218 7.925 8.375 1.00 0.50 C ATOM 1162 O ARG A 78 16.044 7.531 9.200 1.00 0.56 O ATOM 1163 CB ARG A 78 16.101 8.683 6.148 1.00 0.58 C ATOM 1164 CG ARG A 78 16.251 8.404 4.662 1.00 0.66 C ATOM 1165 CD ARG A 78 17.019 9.506 3.955 1.00 0.89 C ATOM 1166 NE ARG A 78 18.456 9.420 4.199 1.00 1.59 N ATOM 1167 CZ ARG A 78 19.350 10.245 3.656 1.00 2.11 C ATOM 1168 NH1 ARG A 78 18.948 11.279 2.923 1.00 2.12 N ATOM 1169 NH2 ARG A 78 20.645 10.045 3.865 1.00 3.09 N ATOM 0 H ARG A 78 13.744 8.086 5.668 1.00 0.43 H new ATOM 0 HA ARG A 78 15.944 6.649 6.829 1.00 0.50 H new ATOM 0 HB2 ARG A 78 15.563 9.621 6.283 1.00 0.58 H new ATOM 0 HB3 ARG A 78 17.089 8.816 6.588 1.00 0.58 H new ATOM 0 HG2 ARG A 78 16.766 7.454 4.521 1.00 0.66 H new ATOM 0 HG3 ARG A 78 15.264 8.301 4.210 1.00 0.66 H new ATOM 0 HD2 ARG A 78 16.830 9.448 2.883 1.00 0.89 H new ATOM 0 HD3 ARG A 78 16.652 10.476 4.292 1.00 0.89 H new ATOM 0 HE ARG A 78 18.795 8.686 4.821 1.00 1.59 H new ATOM 0 HH11 ARG A 78 17.952 11.443 2.775 1.00 2.12 H new ATOM 0 HH12 ARG A 78 19.635 11.909 2.509 1.00 2.12 H new ATOM 0 HH21 ARG A 78 20.954 9.261 4.440 1.00 3.09 H new ATOM 0 HH22 ARG A 78 21.332 10.675 3.450 1.00 3.09 H new ATOM 1183 N ALA A 79 14.159 8.657 8.707 1.00 0.47 N ATOM 1184 CA ALA A 79 13.896 9.052 10.086 1.00 0.51 C ATOM 1185 C ALA A 79 13.429 7.861 10.914 1.00 0.43 C ATOM 1186 O ALA A 79 13.461 7.897 12.144 1.00 0.46 O ATOM 1187 CB ALA A 79 12.861 10.166 10.134 1.00 0.65 C ATOM 0 H ALA A 79 13.466 8.990 8.036 1.00 0.47 H new ATOM 0 HA ALA A 79 14.828 9.422 10.514 1.00 0.51 H new ATOM 0 HB1 ALA A 79 12.677 10.448 11.171 1.00 0.65 H new ATOM 0 HB2 ALA A 79 13.231 11.031 9.583 1.00 0.65 H new ATOM 0 HB3 ALA A 79 11.932 9.819 9.682 1.00 0.65 H new ATOM 1193 N GLY A 80 13.002 6.805 10.228 1.00 0.41 N ATOM 1194 CA GLY A 80 12.573 5.597 10.906 1.00 0.42 C ATOM 1195 C GLY A 80 13.711 4.923 11.644 1.00 0.46 C ATOM 1196 O GLY A 80 13.489 4.141 12.569 1.00 0.60 O ATOM 0 H GLY A 80 12.946 6.766 9.210 1.00 0.41 H new ATOM 0 HA2 GLY A 80 11.778 5.840 11.611 1.00 0.42 H new ATOM 0 HA3 GLY A 80 12.152 4.903 10.178 1.00 0.42 H new ATOM 1200 N GLY A 81 14.932 5.235 11.235 1.00 0.49 N ATOM 1201 CA GLY A 81 16.096 4.701 11.896 1.00 0.63 C ATOM 1202 C GLY A 81 16.811 3.683 11.044 1.00 0.64 C ATOM 1203 O GLY A 81 17.283 3.999 9.948 1.00 1.10 O ATOM 0 H GLY A 81 15.134 5.854 10.450 1.00 0.49 H new ATOM 0 HA2 GLY A 81 16.780 5.514 12.140 1.00 0.63 H new ATOM 0 HA3 GLY A 81 15.799 4.241 12.838 1.00 0.63 H new ATOM 1207 N ASP A 82 16.880 2.456 11.534 1.00 0.43 N ATOM 1208 CA ASP A 82 17.579 1.400 10.824 1.00 0.44 C ATOM 1209 C ASP A 82 16.609 0.325 10.360 1.00 0.39 C ATOM 1210 O ASP A 82 17.014 -0.735 9.892 1.00 0.55 O ATOM 1211 CB ASP A 82 18.682 0.794 11.691 1.00 0.55 C ATOM 1212 CG ASP A 82 19.756 1.803 12.047 1.00 1.41 C ATOM 1213 OD1 ASP A 82 20.521 2.209 11.143 1.00 2.12 O ATOM 1214 OD2 ASP A 82 19.848 2.191 13.231 1.00 1.97 O ATOM 0 H ASP A 82 16.461 2.168 12.418 1.00 0.43 H new ATOM 0 HA ASP A 82 18.045 1.841 9.943 1.00 0.44 H new ATOM 0 HB2 ASP A 82 18.244 0.396 12.606 1.00 0.55 H new ATOM 0 HB3 ASP A 82 19.136 -0.045 11.163 1.00 0.55 H new ATOM 1219 N GLU A 83 15.328 0.603 10.503 1.00 0.38 N ATOM 1220 CA GLU A 83 14.285 -0.252 9.967 1.00 0.39 C ATOM 1221 C GLU A 83 13.104 0.606 9.551 1.00 0.38 C ATOM 1222 O GLU A 83 12.982 1.750 9.992 1.00 0.53 O ATOM 1223 CB GLU A 83 13.852 -1.308 10.990 1.00 0.47 C ATOM 1224 CG GLU A 83 13.496 -0.740 12.350 1.00 0.86 C ATOM 1225 CD GLU A 83 12.091 -1.098 12.794 1.00 1.62 C ATOM 1226 OE1 GLU A 83 11.893 -2.216 13.314 1.00 2.11 O ATOM 1227 OE2 GLU A 83 11.183 -0.251 12.657 1.00 2.00 O ATOM 0 H GLU A 83 14.980 1.427 10.993 1.00 0.38 H new ATOM 0 HA GLU A 83 14.675 -0.782 9.098 1.00 0.39 H new ATOM 0 HB2 GLU A 83 12.991 -1.848 10.597 1.00 0.47 H new ATOM 0 HB3 GLU A 83 14.656 -2.034 11.110 1.00 0.47 H new ATOM 0 HG2 GLU A 83 14.209 -1.107 13.088 1.00 0.86 H new ATOM 0 HG3 GLU A 83 13.597 0.345 12.322 1.00 0.86 H new ATOM 1234 N THR A 84 12.253 0.074 8.696 1.00 0.27 N ATOM 1235 CA THR A 84 11.112 0.821 8.215 1.00 0.26 C ATOM 1236 C THR A 84 9.984 -0.121 7.818 1.00 0.22 C ATOM 1237 O THR A 84 10.225 -1.263 7.413 1.00 0.21 O ATOM 1238 CB THR A 84 11.498 1.725 7.020 1.00 0.30 C ATOM 1239 OG1 THR A 84 10.405 2.586 6.674 1.00 0.32 O ATOM 1240 CG2 THR A 84 11.897 0.896 5.805 1.00 0.30 C ATOM 0 H THR A 84 12.331 -0.872 8.322 1.00 0.27 H new ATOM 0 HA THR A 84 10.767 1.460 9.028 1.00 0.26 H new ATOM 0 HB THR A 84 12.354 2.327 7.324 1.00 0.30 H new ATOM 0 HG1 THR A 84 9.958 2.892 7.491 1.00 0.32 H new ATOM 0 HG21 THR A 84 12.162 1.560 4.983 1.00 0.30 H new ATOM 0 HG22 THR A 84 12.753 0.270 6.057 1.00 0.30 H new ATOM 0 HG23 THR A 84 11.061 0.264 5.505 1.00 0.30 H new ATOM 1248 N LYS A 85 8.757 0.342 7.977 1.00 0.24 N ATOM 1249 CA LYS A 85 7.601 -0.413 7.538 1.00 0.23 C ATOM 1250 C LYS A 85 6.933 0.313 6.390 1.00 0.23 C ATOM 1251 O LYS A 85 6.528 1.465 6.527 1.00 0.26 O ATOM 1252 CB LYS A 85 6.592 -0.620 8.669 1.00 0.28 C ATOM 1253 CG LYS A 85 7.141 -1.393 9.853 1.00 0.37 C ATOM 1254 CD LYS A 85 7.545 -0.469 10.984 1.00 0.50 C ATOM 1255 CE LYS A 85 8.092 -1.246 12.168 1.00 0.78 C ATOM 1256 NZ LYS A 85 8.590 -0.349 13.240 1.00 1.63 N ATOM 0 H LYS A 85 8.537 1.240 8.408 1.00 0.24 H new ATOM 0 HA LYS A 85 7.945 -1.396 7.216 1.00 0.23 H new ATOM 0 HB2 LYS A 85 6.244 0.354 9.014 1.00 0.28 H new ATOM 0 HB3 LYS A 85 5.724 -1.148 8.275 1.00 0.28 H new ATOM 0 HG2 LYS A 85 6.389 -2.097 10.209 1.00 0.37 H new ATOM 0 HG3 LYS A 85 8.003 -1.980 9.537 1.00 0.37 H new ATOM 0 HD2 LYS A 85 8.299 0.234 10.629 1.00 0.50 H new ATOM 0 HD3 LYS A 85 6.684 0.119 11.300 1.00 0.50 H new ATOM 0 HE2 LYS A 85 7.311 -1.892 12.570 1.00 0.78 H new ATOM 0 HE3 LYS A 85 8.901 -1.895 11.833 1.00 0.78 H new ATOM 0 HZ1 LYS A 85 8.587 -0.857 14.147 1.00 1.63 H new ATOM 0 HZ2 LYS A 85 9.559 -0.045 13.016 1.00 1.63 H new ATOM 0 HZ3 LYS A 85 7.973 0.485 13.309 1.00 1.63 H new ATOM 1270 N LEU A 86 6.818 -0.357 5.264 1.00 0.22 N ATOM 1271 CA LEU A 86 6.201 0.237 4.100 1.00 0.22 C ATOM 1272 C LEU A 86 4.817 -0.343 3.901 1.00 0.22 C ATOM 1273 O LEU A 86 4.624 -1.557 3.991 1.00 0.27 O ATOM 1274 CB LEU A 86 7.051 -0.001 2.849 1.00 0.24 C ATOM 1275 CG LEU A 86 8.436 0.651 2.866 1.00 0.25 C ATOM 1276 CD1 LEU A 86 9.180 0.351 1.574 1.00 0.28 C ATOM 1277 CD2 LEU A 86 8.320 2.154 3.077 1.00 0.28 C ATOM 0 H LEU A 86 7.144 -1.314 5.131 1.00 0.22 H new ATOM 0 HA LEU A 86 6.124 1.312 4.262 1.00 0.22 H new ATOM 0 HB2 LEU A 86 7.175 -1.075 2.713 1.00 0.24 H new ATOM 0 HB3 LEU A 86 6.504 0.369 1.982 1.00 0.24 H new ATOM 0 HG LEU A 86 9.002 0.232 3.698 1.00 0.25 H new ATOM 0 HD11 LEU A 86 10.163 0.822 1.602 1.00 0.28 H new ATOM 0 HD12 LEU A 86 9.297 -0.727 1.463 1.00 0.28 H new ATOM 0 HD13 LEU A 86 8.614 0.743 0.729 1.00 0.28 H new ATOM 0 HD21 LEU A 86 9.315 2.598 3.086 1.00 0.28 H new ATOM 0 HD22 LEU A 86 7.735 2.591 2.268 1.00 0.28 H new ATOM 0 HD23 LEU A 86 7.826 2.351 4.029 1.00 0.28 H new ATOM 1289 N LEU A 87 3.858 0.523 3.653 1.00 0.20 N ATOM 1290 CA LEU A 87 2.504 0.092 3.383 1.00 0.21 C ATOM 1291 C LEU A 87 2.234 0.204 1.901 1.00 0.21 C ATOM 1292 O LEU A 87 2.244 1.299 1.343 1.00 0.26 O ATOM 1293 CB LEU A 87 1.498 0.942 4.155 1.00 0.27 C ATOM 1294 CG LEU A 87 0.036 0.621 3.859 1.00 0.39 C ATOM 1295 CD1 LEU A 87 -0.263 -0.806 4.249 1.00 0.51 C ATOM 1296 CD2 LEU A 87 -0.891 1.579 4.585 1.00 0.45 C ATOM 0 H LEU A 87 3.992 1.534 3.633 1.00 0.20 H new ATOM 0 HA LEU A 87 2.394 -0.944 3.705 1.00 0.21 H new ATOM 0 HB2 LEU A 87 1.676 0.812 5.223 1.00 0.27 H new ATOM 0 HB3 LEU A 87 1.679 1.992 3.927 1.00 0.27 H new ATOM 0 HG LEU A 87 -0.136 0.741 2.789 1.00 0.39 H new ATOM 0 HD11 LEU A 87 -1.308 -1.030 4.036 1.00 0.51 H new ATOM 0 HD12 LEU A 87 0.376 -1.480 3.679 1.00 0.51 H new ATOM 0 HD13 LEU A 87 -0.073 -0.939 5.314 1.00 0.51 H new ATOM 0 HD21 LEU A 87 -1.926 1.327 4.356 1.00 0.45 H new ATOM 0 HD22 LEU A 87 -0.727 1.499 5.660 1.00 0.45 H new ATOM 0 HD23 LEU A 87 -0.686 2.599 4.261 1.00 0.45 H new ATOM 1308 N VAL A 88 1.994 -0.926 1.271 1.00 0.20 N ATOM 1309 CA VAL A 88 1.849 -0.968 -0.170 1.00 0.23 C ATOM 1310 C VAL A 88 0.610 -1.747 -0.575 1.00 0.24 C ATOM 1311 O VAL A 88 0.112 -2.589 0.180 1.00 0.27 O ATOM 1312 CB VAL A 88 3.092 -1.588 -0.845 1.00 0.28 C ATOM 1313 CG1 VAL A 88 4.280 -0.644 -0.754 1.00 0.31 C ATOM 1314 CG2 VAL A 88 3.435 -2.933 -0.218 1.00 0.33 C ATOM 0 H VAL A 88 1.895 -1.829 1.734 1.00 0.20 H new ATOM 0 HA VAL A 88 1.745 0.063 -0.509 1.00 0.23 H new ATOM 0 HB VAL A 88 2.858 -1.749 -1.897 1.00 0.28 H new ATOM 0 HG11 VAL A 88 5.145 -1.100 -1.236 1.00 0.31 H new ATOM 0 HG12 VAL A 88 4.039 0.294 -1.254 1.00 0.31 H new ATOM 0 HG13 VAL A 88 4.509 -0.448 0.293 1.00 0.31 H new ATOM 0 HG21 VAL A 88 4.314 -3.350 -0.710 1.00 0.33 H new ATOM 0 HG22 VAL A 88 3.643 -2.797 0.843 1.00 0.33 H new ATOM 0 HG23 VAL A 88 2.594 -3.616 -0.338 1.00 0.33 H new ATOM 1324 N VAL A 89 0.106 -1.437 -1.759 1.00 0.24 N ATOM 1325 CA VAL A 89 -1.065 -2.105 -2.305 1.00 0.27 C ATOM 1326 C VAL A 89 -0.842 -2.449 -3.774 1.00 0.34 C ATOM 1327 O VAL A 89 -0.138 -1.734 -4.493 1.00 0.42 O ATOM 1328 CB VAL A 89 -2.337 -1.231 -2.172 1.00 0.25 C ATOM 1329 CG1 VAL A 89 -2.759 -1.107 -0.716 1.00 0.29 C ATOM 1330 CG2 VAL A 89 -2.110 0.145 -2.775 1.00 0.30 C ATOM 0 H VAL A 89 0.496 -0.717 -2.367 1.00 0.24 H new ATOM 0 HA VAL A 89 -1.214 -3.019 -1.730 1.00 0.27 H new ATOM 0 HB VAL A 89 -3.140 -1.721 -2.722 1.00 0.25 H new ATOM 0 HG11 VAL A 89 -3.654 -0.489 -0.648 1.00 0.29 H new ATOM 0 HG12 VAL A 89 -2.970 -2.097 -0.313 1.00 0.29 H new ATOM 0 HG13 VAL A 89 -1.955 -0.646 -0.142 1.00 0.29 H new ATOM 0 HG21 VAL A 89 -3.016 0.742 -2.671 1.00 0.30 H new ATOM 0 HG22 VAL A 89 -1.288 0.639 -2.256 1.00 0.30 H new ATOM 0 HG23 VAL A 89 -1.863 0.043 -3.832 1.00 0.30 H new ATOM 1340 N ASP A 90 -1.422 -3.561 -4.200 1.00 0.41 N ATOM 1341 CA ASP A 90 -1.364 -3.983 -5.596 1.00 0.51 C ATOM 1342 C ASP A 90 -2.603 -3.480 -6.329 1.00 0.48 C ATOM 1343 O ASP A 90 -3.482 -2.896 -5.704 1.00 0.45 O ATOM 1344 CB ASP A 90 -1.288 -5.505 -5.692 1.00 0.68 C ATOM 1345 CG ASP A 90 -2.569 -6.164 -5.236 1.00 1.20 C ATOM 1346 OD1 ASP A 90 -2.797 -6.237 -4.013 1.00 1.92 O ATOM 1347 OD2 ASP A 90 -3.346 -6.621 -6.098 1.00 1.86 O ATOM 0 H ASP A 90 -1.944 -4.194 -3.594 1.00 0.41 H new ATOM 0 HA ASP A 90 -0.470 -3.562 -6.056 1.00 0.51 H new ATOM 0 HB2 ASP A 90 -1.078 -5.794 -6.722 1.00 0.68 H new ATOM 0 HB3 ASP A 90 -0.458 -5.866 -5.084 1.00 0.68 H new ATOM 1352 N ARG A 91 -2.683 -3.722 -7.638 1.00 0.57 N ATOM 1353 CA ARG A 91 -3.779 -3.180 -8.449 1.00 0.61 C ATOM 1354 C ARG A 91 -5.146 -3.596 -7.906 1.00 0.55 C ATOM 1355 O ARG A 91 -6.027 -2.756 -7.735 1.00 0.55 O ATOM 1356 CB ARG A 91 -3.671 -3.628 -9.910 1.00 0.75 C ATOM 1357 CG ARG A 91 -4.736 -2.994 -10.798 1.00 0.82 C ATOM 1358 CD ARG A 91 -5.234 -3.953 -11.866 1.00 1.44 C ATOM 1359 NE ARG A 91 -4.210 -4.277 -12.857 1.00 2.25 N ATOM 1360 CZ ARG A 91 -3.753 -5.506 -13.075 1.00 3.13 C ATOM 1361 NH1 ARG A 91 -4.141 -6.511 -12.302 1.00 3.39 N ATOM 1362 NH2 ARG A 91 -2.891 -5.724 -14.057 1.00 4.16 N ATOM 0 H ARG A 91 -2.009 -4.285 -8.158 1.00 0.57 H new ATOM 0 HA ARG A 91 -3.690 -2.095 -8.396 1.00 0.61 H new ATOM 0 HB2 ARG A 91 -2.684 -3.371 -10.293 1.00 0.75 H new ATOM 0 HB3 ARG A 91 -3.760 -4.713 -9.961 1.00 0.75 H new ATOM 0 HG2 ARG A 91 -5.575 -2.670 -10.182 1.00 0.82 H new ATOM 0 HG3 ARG A 91 -4.327 -2.103 -11.274 1.00 0.82 H new ATOM 0 HD2 ARG A 91 -5.578 -4.872 -11.391 1.00 1.44 H new ATOM 0 HD3 ARG A 91 -6.095 -3.514 -12.370 1.00 1.44 H new ATOM 0 HE ARG A 91 -3.823 -3.515 -13.414 1.00 2.25 H new ATOM 0 HH11 ARG A 91 -4.793 -6.343 -11.536 1.00 3.39 H new ATOM 0 HH12 ARG A 91 -3.787 -7.452 -12.473 1.00 3.39 H new ATOM 0 HH21 ARG A 91 -2.580 -4.950 -14.644 1.00 4.16 H new ATOM 0 HH22 ARG A 91 -2.539 -6.666 -14.227 1.00 4.16 H new ATOM 1376 N GLU A 92 -5.308 -4.883 -7.613 1.00 0.57 N ATOM 1377 CA GLU A 92 -6.593 -5.411 -7.164 1.00 0.61 C ATOM 1378 C GLU A 92 -7.042 -4.724 -5.879 1.00 0.51 C ATOM 1379 O GLU A 92 -8.216 -4.386 -5.714 1.00 0.56 O ATOM 1380 CB GLU A 92 -6.514 -6.926 -6.948 1.00 0.74 C ATOM 1381 CG GLU A 92 -6.619 -7.752 -8.227 1.00 1.44 C ATOM 1382 CD GLU A 92 -5.480 -7.520 -9.202 1.00 1.98 C ATOM 1383 OE1 GLU A 92 -5.603 -6.624 -10.065 1.00 2.68 O ATOM 1384 OE2 GLU A 92 -4.465 -8.246 -9.126 1.00 2.26 O ATOM 0 H GLU A 92 -4.566 -5.580 -7.678 1.00 0.57 H new ATOM 0 HA GLU A 92 -7.327 -5.208 -7.943 1.00 0.61 H new ATOM 0 HB2 GLU A 92 -5.571 -7.162 -6.454 1.00 0.74 H new ATOM 0 HB3 GLU A 92 -7.313 -7.226 -6.270 1.00 0.74 H new ATOM 0 HG2 GLU A 92 -6.650 -8.809 -7.964 1.00 1.44 H new ATOM 0 HG3 GLU A 92 -7.562 -7.519 -8.722 1.00 1.44 H new ATOM 1391 N THR A 93 -6.095 -4.505 -4.985 1.00 0.44 N ATOM 1392 CA THR A 93 -6.365 -3.837 -3.724 1.00 0.38 C ATOM 1393 C THR A 93 -6.566 -2.337 -3.927 1.00 0.33 C ATOM 1394 O THR A 93 -7.529 -1.755 -3.427 1.00 0.37 O ATOM 1395 CB THR A 93 -5.203 -4.051 -2.749 1.00 0.36 C ATOM 1396 OG1 THR A 93 -4.922 -5.453 -2.630 1.00 0.47 O ATOM 1397 CG2 THR A 93 -5.520 -3.474 -1.382 1.00 0.36 C ATOM 0 H THR A 93 -5.122 -4.783 -5.111 1.00 0.44 H new ATOM 0 HA THR A 93 -7.279 -4.267 -3.314 1.00 0.38 H new ATOM 0 HB THR A 93 -4.329 -3.533 -3.143 1.00 0.36 H new ATOM 0 HG1 THR A 93 -4.095 -5.663 -3.111 1.00 0.47 H new ATOM 0 HG21 THR A 93 -4.677 -3.641 -0.712 1.00 0.36 H new ATOM 0 HG22 THR A 93 -5.705 -2.404 -1.473 1.00 0.36 H new ATOM 0 HG23 THR A 93 -6.407 -3.962 -0.978 1.00 0.36 H new ATOM 1405 N ASP A 94 -5.654 -1.720 -4.671 1.00 0.33 N ATOM 1406 CA ASP A 94 -5.671 -0.276 -4.878 1.00 0.39 C ATOM 1407 C ASP A 94 -6.966 0.145 -5.562 1.00 0.43 C ATOM 1408 O ASP A 94 -7.599 1.114 -5.157 1.00 0.50 O ATOM 1409 CB ASP A 94 -4.467 0.159 -5.722 1.00 0.48 C ATOM 1410 CG ASP A 94 -4.076 1.609 -5.491 1.00 0.71 C ATOM 1411 OD1 ASP A 94 -4.947 2.498 -5.581 1.00 0.77 O ATOM 1412 OD2 ASP A 94 -2.885 1.871 -5.227 1.00 1.18 O ATOM 0 H ASP A 94 -4.889 -2.201 -5.144 1.00 0.33 H new ATOM 0 HA ASP A 94 -5.611 0.212 -3.905 1.00 0.39 H new ATOM 0 HB2 ASP A 94 -3.617 -0.483 -5.491 1.00 0.48 H new ATOM 0 HB3 ASP A 94 -4.698 0.014 -6.777 1.00 0.48 H new ATOM 1417 N GLU A 95 -7.374 -0.620 -6.573 1.00 0.43 N ATOM 1418 CA GLU A 95 -8.619 -0.353 -7.290 1.00 0.49 C ATOM 1419 C GLU A 95 -9.808 -0.397 -6.338 1.00 0.45 C ATOM 1420 O GLU A 95 -10.735 0.403 -6.460 1.00 0.50 O ATOM 1421 CB GLU A 95 -8.820 -1.371 -8.418 1.00 0.60 C ATOM 1422 CG GLU A 95 -7.935 -1.133 -9.632 1.00 0.72 C ATOM 1423 CD GLU A 95 -8.453 -0.021 -10.524 1.00 1.17 C ATOM 1424 OE1 GLU A 95 -9.385 -0.265 -11.319 1.00 1.23 O ATOM 1425 OE2 GLU A 95 -7.928 1.109 -10.427 1.00 1.94 O ATOM 0 H GLU A 95 -6.859 -1.431 -6.915 1.00 0.43 H new ATOM 0 HA GLU A 95 -8.551 0.645 -7.722 1.00 0.49 H new ATOM 0 HB2 GLU A 95 -8.625 -2.371 -8.030 1.00 0.60 H new ATOM 0 HB3 GLU A 95 -9.864 -1.348 -8.732 1.00 0.60 H new ATOM 0 HG2 GLU A 95 -6.927 -0.886 -9.299 1.00 0.72 H new ATOM 0 HG3 GLU A 95 -7.863 -2.054 -10.211 1.00 0.72 H new ATOM 1432 N PHE A 96 -9.767 -1.317 -5.377 1.00 0.41 N ATOM 1433 CA PHE A 96 -10.824 -1.431 -4.382 1.00 0.41 C ATOM 1434 C PHE A 96 -10.897 -0.163 -3.541 1.00 0.36 C ATOM 1435 O PHE A 96 -11.971 0.384 -3.313 1.00 0.40 O ATOM 1436 CB PHE A 96 -10.590 -2.647 -3.480 1.00 0.44 C ATOM 1437 CG PHE A 96 -11.626 -2.803 -2.401 1.00 0.51 C ATOM 1438 CD1 PHE A 96 -12.861 -3.364 -2.684 1.00 0.63 C ATOM 1439 CD2 PHE A 96 -11.363 -2.389 -1.106 1.00 0.52 C ATOM 1440 CE1 PHE A 96 -13.814 -3.507 -1.694 1.00 0.73 C ATOM 1441 CE2 PHE A 96 -12.311 -2.529 -0.112 1.00 0.62 C ATOM 1442 CZ PHE A 96 -13.540 -3.090 -0.406 1.00 0.72 C ATOM 0 H PHE A 96 -9.011 -1.994 -5.268 1.00 0.41 H new ATOM 0 HA PHE A 96 -11.772 -1.564 -4.904 1.00 0.41 H new ATOM 0 HB2 PHE A 96 -10.578 -3.548 -4.094 1.00 0.44 H new ATOM 0 HB3 PHE A 96 -9.606 -2.563 -3.018 1.00 0.44 H new ATOM 0 HD1 PHE A 96 -13.081 -3.693 -3.689 1.00 0.63 H new ATOM 0 HD2 PHE A 96 -10.404 -1.951 -0.871 1.00 0.52 H new ATOM 0 HE1 PHE A 96 -14.773 -3.945 -1.927 1.00 0.73 H new ATOM 0 HE2 PHE A 96 -12.093 -2.201 0.894 1.00 0.62 H new ATOM 0 HZ PHE A 96 -14.284 -3.202 0.369 1.00 0.72 H new ATOM 1452 N PHE A 97 -9.753 0.294 -3.075 1.00 0.32 N ATOM 1453 CA PHE A 97 -9.694 1.522 -2.296 1.00 0.32 C ATOM 1454 C PHE A 97 -10.039 2.747 -3.144 1.00 0.39 C ATOM 1455 O PHE A 97 -10.690 3.671 -2.655 1.00 0.44 O ATOM 1456 CB PHE A 97 -8.328 1.671 -1.629 1.00 0.30 C ATOM 1457 CG PHE A 97 -8.163 0.755 -0.449 1.00 0.29 C ATOM 1458 CD1 PHE A 97 -8.646 1.106 0.799 1.00 0.38 C ATOM 1459 CD2 PHE A 97 -7.509 -0.457 -0.590 1.00 0.37 C ATOM 1460 CE1 PHE A 97 -8.483 0.264 1.883 1.00 0.41 C ATOM 1461 CE2 PHE A 97 -7.341 -1.304 0.489 1.00 0.40 C ATOM 1462 CZ PHE A 97 -7.885 -0.939 1.739 1.00 0.35 C ATOM 0 H PHE A 97 -8.852 -0.162 -3.219 1.00 0.32 H new ATOM 0 HA PHE A 97 -10.448 1.456 -1.512 1.00 0.32 H new ATOM 0 HB2 PHE A 97 -7.546 1.463 -2.359 1.00 0.30 H new ATOM 0 HB3 PHE A 97 -8.196 2.703 -1.305 1.00 0.30 H new ATOM 0 HD1 PHE A 97 -9.156 2.049 0.928 1.00 0.38 H new ATOM 0 HD2 PHE A 97 -7.124 -0.745 -1.557 1.00 0.37 H new ATOM 0 HE1 PHE A 97 -8.838 0.571 2.856 1.00 0.41 H new ATOM 0 HE2 PHE A 97 -6.801 -2.232 0.377 1.00 0.40 H new ATOM 0 HZ PHE A 97 -7.824 -1.618 2.577 1.00 0.35 H new ATOM 1472 N LYS A 98 -9.612 2.755 -4.409 1.00 0.43 N ATOM 1473 CA LYS A 98 -9.932 3.860 -5.316 1.00 0.53 C ATOM 1474 C LYS A 98 -11.441 4.029 -5.453 1.00 0.56 C ATOM 1475 O LYS A 98 -11.972 5.127 -5.287 1.00 0.61 O ATOM 1476 CB LYS A 98 -9.362 3.620 -6.717 1.00 0.63 C ATOM 1477 CG LYS A 98 -7.849 3.603 -6.811 1.00 0.85 C ATOM 1478 CD LYS A 98 -7.410 3.563 -8.265 1.00 1.13 C ATOM 1479 CE LYS A 98 -5.927 3.278 -8.417 1.00 1.31 C ATOM 1480 NZ LYS A 98 -5.090 4.152 -7.557 1.00 1.92 N ATOM 0 H LYS A 98 -9.048 2.015 -4.826 1.00 0.43 H new ATOM 0 HA LYS A 98 -9.485 4.756 -4.884 1.00 0.53 H new ATOM 0 HB2 LYS A 98 -9.742 2.668 -7.087 1.00 0.63 H new ATOM 0 HB3 LYS A 98 -9.741 4.395 -7.383 1.00 0.63 H new ATOM 0 HG2 LYS A 98 -7.438 4.488 -6.324 1.00 0.85 H new ATOM 0 HG3 LYS A 98 -7.455 2.736 -6.281 1.00 0.85 H new ATOM 0 HD2 LYS A 98 -7.980 2.798 -8.792 1.00 1.13 H new ATOM 0 HD3 LYS A 98 -7.644 4.517 -8.738 1.00 1.13 H new ATOM 0 HE2 LYS A 98 -5.733 2.235 -8.167 1.00 1.31 H new ATOM 0 HE3 LYS A 98 -5.639 3.415 -9.459 1.00 1.31 H new ATOM 0 HZ1 LYS A 98 -4.162 4.294 -8.005 1.00 1.92 H new ATOM 0 HZ2 LYS A 98 -5.560 5.072 -7.435 1.00 1.92 H new ATOM 0 HZ3 LYS A 98 -4.961 3.704 -6.627 1.00 1.92 H new ATOM 1494 N LYS A 99 -12.122 2.924 -5.733 1.00 0.55 N ATOM 1495 CA LYS A 99 -13.568 2.934 -5.939 1.00 0.63 C ATOM 1496 C LYS A 99 -14.301 3.210 -4.633 1.00 0.63 C ATOM 1497 O LYS A 99 -15.447 3.656 -4.633 1.00 0.75 O ATOM 1498 CB LYS A 99 -14.021 1.594 -6.523 1.00 0.66 C ATOM 1499 CG LYS A 99 -13.719 0.414 -5.618 1.00 0.60 C ATOM 1500 CD LYS A 99 -14.025 -0.915 -6.277 1.00 0.76 C ATOM 1501 CE LYS A 99 -15.466 -1.009 -6.745 1.00 1.62 C ATOM 1502 NZ LYS A 99 -15.707 -2.256 -7.514 1.00 2.04 N ATOM 0 H LYS A 99 -11.694 2.003 -5.823 1.00 0.55 H new ATOM 0 HA LYS A 99 -13.810 3.732 -6.641 1.00 0.63 H new ATOM 0 HB2 LYS A 99 -15.094 1.632 -6.713 1.00 0.66 H new ATOM 0 HB3 LYS A 99 -13.532 1.440 -7.485 1.00 0.66 H new ATOM 0 HG2 LYS A 99 -12.668 0.440 -5.331 1.00 0.60 H new ATOM 0 HG3 LYS A 99 -14.302 0.504 -4.702 1.00 0.60 H new ATOM 0 HD2 LYS A 99 -13.359 -1.058 -7.128 1.00 0.76 H new ATOM 0 HD3 LYS A 99 -13.821 -1.722 -5.574 1.00 0.76 H new ATOM 0 HE2 LYS A 99 -16.133 -0.977 -5.883 1.00 1.62 H new ATOM 0 HE3 LYS A 99 -15.705 -0.145 -7.365 1.00 1.62 H new ATOM 0 HZ1 LYS A 99 -16.701 -2.289 -7.819 1.00 2.04 H new ATOM 0 HZ2 LYS A 99 -15.088 -2.274 -8.349 1.00 2.04 H new ATOM 0 HZ3 LYS A 99 -15.502 -3.080 -6.913 1.00 2.04 H new ATOM 1516 N CYS A 100 -13.631 2.939 -3.524 1.00 0.55 N ATOM 1517 CA CYS A 100 -14.203 3.182 -2.215 1.00 0.60 C ATOM 1518 C CYS A 100 -13.952 4.621 -1.764 1.00 0.61 C ATOM 1519 O CYS A 100 -14.602 5.120 -0.847 1.00 0.68 O ATOM 1520 CB CYS A 100 -13.623 2.203 -1.195 1.00 0.60 C ATOM 1521 SG CYS A 100 -14.162 0.493 -1.420 1.00 1.39 S ATOM 0 H CYS A 100 -12.688 2.550 -3.508 1.00 0.55 H new ATOM 0 HA CYS A 100 -15.280 3.029 -2.283 1.00 0.60 H new ATOM 0 HB2 CYS A 100 -12.535 2.240 -1.251 1.00 0.60 H new ATOM 0 HB3 CYS A 100 -13.902 2.531 -0.194 1.00 0.60 H new ATOM 0 HG CYS A 100 -13.414 -0.084 -2.313 1.00 1.39 H new ATOM 1527 N ARG A 101 -13.000 5.279 -2.439 1.00 0.59 N ATOM 1528 CA ARG A 101 -12.593 6.653 -2.127 1.00 0.65 C ATOM 1529 C ARG A 101 -12.040 6.761 -0.711 1.00 0.64 C ATOM 1530 O ARG A 101 -12.250 7.763 -0.028 1.00 0.75 O ATOM 1531 CB ARG A 101 -13.746 7.649 -2.315 1.00 0.77 C ATOM 1532 CG ARG A 101 -13.993 8.047 -3.762 1.00 0.79 C ATOM 1533 CD ARG A 101 -14.687 6.951 -4.550 1.00 1.19 C ATOM 1534 NE ARG A 101 -16.039 6.694 -4.052 1.00 2.14 N ATOM 1535 CZ ARG A 101 -17.138 6.840 -4.789 1.00 3.08 C ATOM 1536 NH1 ARG A 101 -17.052 7.279 -6.038 1.00 3.37 N ATOM 1537 NH2 ARG A 101 -18.330 6.561 -4.274 1.00 4.09 N ATOM 0 H ARG A 101 -12.489 4.870 -3.221 1.00 0.59 H new ATOM 0 HA ARG A 101 -11.803 6.911 -2.832 1.00 0.65 H new ATOM 0 HB2 ARG A 101 -14.659 7.213 -1.909 1.00 0.77 H new ATOM 0 HB3 ARG A 101 -13.535 8.546 -1.733 1.00 0.77 H new ATOM 0 HG2 ARG A 101 -14.601 8.951 -3.789 1.00 0.79 H new ATOM 0 HG3 ARG A 101 -13.042 8.287 -4.238 1.00 0.79 H new ATOM 0 HD2 ARG A 101 -14.735 7.234 -5.601 1.00 1.19 H new ATOM 0 HD3 ARG A 101 -14.099 6.035 -4.493 1.00 1.19 H new ATOM 0 HE ARG A 101 -16.145 6.386 -3.086 1.00 2.14 H new ATOM 0 HH11 ARG A 101 -16.141 7.506 -6.437 1.00 3.37 H new ATOM 0 HH12 ARG A 101 -17.897 7.389 -6.599 1.00 3.37 H new ATOM 0 HH21 ARG A 101 -18.406 6.234 -3.311 1.00 4.09 H new ATOM 0 HH22 ARG A 101 -19.170 6.674 -4.842 1.00 4.09 H new ATOM 1551 N VAL A 102 -11.316 5.740 -0.283 1.00 0.55 N ATOM 1552 CA VAL A 102 -10.765 5.715 1.063 1.00 0.57 C ATOM 1553 C VAL A 102 -9.304 5.268 1.040 1.00 0.49 C ATOM 1554 O VAL A 102 -8.932 4.360 0.295 1.00 0.46 O ATOM 1555 CB VAL A 102 -11.600 4.799 1.997 1.00 0.69 C ATOM 1556 CG1 VAL A 102 -11.580 3.355 1.522 1.00 0.89 C ATOM 1557 CG2 VAL A 102 -11.116 4.902 3.436 1.00 1.42 C ATOM 0 H VAL A 102 -11.096 4.919 -0.846 1.00 0.55 H new ATOM 0 HA VAL A 102 -10.811 6.729 1.460 1.00 0.57 H new ATOM 0 HB VAL A 102 -12.633 5.146 1.960 1.00 0.69 H new ATOM 0 HG11 VAL A 102 -12.174 2.741 2.199 1.00 0.89 H new ATOM 0 HG12 VAL A 102 -11.998 3.297 0.517 1.00 0.89 H new ATOM 0 HG13 VAL A 102 -10.553 2.990 1.509 1.00 0.89 H new ATOM 0 HG21 VAL A 102 -11.718 4.250 4.070 1.00 1.42 H new ATOM 0 HG22 VAL A 102 -10.071 4.597 3.491 1.00 1.42 H new ATOM 0 HG23 VAL A 102 -11.212 5.932 3.779 1.00 1.42 H new ATOM 1567 N ILE A 103 -8.481 5.936 1.834 1.00 0.54 N ATOM 1568 CA ILE A 103 -7.058 5.642 1.901 1.00 0.50 C ATOM 1569 C ILE A 103 -6.802 4.392 2.745 1.00 0.43 C ATOM 1570 O ILE A 103 -7.348 4.248 3.840 1.00 0.46 O ATOM 1571 CB ILE A 103 -6.278 6.849 2.485 1.00 0.61 C ATOM 1572 CG1 ILE A 103 -6.425 8.062 1.559 1.00 0.78 C ATOM 1573 CG2 ILE A 103 -4.808 6.508 2.692 1.00 0.62 C ATOM 1574 CD1 ILE A 103 -5.714 9.307 2.053 1.00 1.33 C ATOM 0 H ILE A 103 -8.779 6.694 2.448 1.00 0.54 H new ATOM 0 HA ILE A 103 -6.704 5.455 0.887 1.00 0.50 H new ATOM 0 HB ILE A 103 -6.701 7.092 3.460 1.00 0.61 H new ATOM 0 HG12 ILE A 103 -6.038 7.802 0.574 1.00 0.78 H new ATOM 0 HG13 ILE A 103 -7.485 8.286 1.437 1.00 0.78 H new ATOM 0 HG21 ILE A 103 -4.288 7.374 3.102 1.00 0.62 H new ATOM 0 HG22 ILE A 103 -4.723 5.671 3.385 1.00 0.62 H new ATOM 0 HG23 ILE A 103 -4.360 6.235 1.737 1.00 0.62 H new ATOM 0 HD11 ILE A 103 -5.866 10.119 1.342 1.00 1.33 H new ATOM 0 HD12 ILE A 103 -6.116 9.594 3.024 1.00 1.33 H new ATOM 0 HD13 ILE A 103 -4.647 9.103 2.148 1.00 1.33 H new ATOM 1586 N PRO A 104 -5.989 3.459 2.223 1.00 0.39 N ATOM 1587 CA PRO A 104 -5.628 2.232 2.932 1.00 0.37 C ATOM 1588 C PRO A 104 -4.699 2.508 4.108 1.00 0.37 C ATOM 1589 O PRO A 104 -3.959 3.489 4.102 1.00 0.45 O ATOM 1590 CB PRO A 104 -4.904 1.379 1.880 1.00 0.41 C ATOM 1591 CG PRO A 104 -5.056 2.097 0.577 1.00 0.53 C ATOM 1592 CD PRO A 104 -5.356 3.532 0.900 1.00 0.44 C ATOM 0 HA PRO A 104 -6.507 1.742 3.351 1.00 0.37 H new ATOM 0 HB2 PRO A 104 -3.851 1.257 2.136 1.00 0.41 H new ATOM 0 HB3 PRO A 104 -5.336 0.380 1.826 1.00 0.41 H new ATOM 0 HG2 PRO A 104 -4.145 2.017 -0.016 1.00 0.53 H new ATOM 0 HG3 PRO A 104 -5.860 1.658 -0.014 1.00 0.53 H new ATOM 0 HD2 PRO A 104 -4.449 4.137 0.921 1.00 0.44 H new ATOM 0 HD3 PRO A 104 -6.021 3.980 0.161 1.00 0.44 H new ATOM 1600 N SER A 105 -4.735 1.639 5.110 1.00 0.32 N ATOM 1601 CA SER A 105 -3.905 1.805 6.289 1.00 0.34 C ATOM 1602 C SER A 105 -3.724 0.473 7.002 1.00 0.34 C ATOM 1603 O SER A 105 -4.282 -0.542 6.566 1.00 0.33 O ATOM 1604 CB SER A 105 -4.543 2.827 7.231 1.00 0.43 C ATOM 1605 OG SER A 105 -5.906 2.505 7.464 1.00 1.42 O ATOM 0 H SER A 105 -5.332 0.812 5.127 1.00 0.32 H new ATOM 0 HA SER A 105 -2.924 2.167 5.982 1.00 0.34 H new ATOM 0 HB2 SER A 105 -4.001 2.847 8.177 1.00 0.43 H new ATOM 0 HB3 SER A 105 -4.468 3.825 6.799 1.00 0.43 H new ATOM 0 HG SER A 105 -6.380 2.450 6.608 1.00 1.42 H new ATOM 1611 N GLN A 106 -2.956 0.471 8.084 1.00 0.39 N ATOM 1612 CA GLN A 106 -2.761 -0.735 8.892 1.00 0.43 C ATOM 1613 C GLN A 106 -4.105 -1.300 9.354 1.00 0.45 C ATOM 1614 O GLN A 106 -4.309 -2.514 9.373 1.00 0.50 O ATOM 1615 CB GLN A 106 -1.874 -0.447 10.110 1.00 0.52 C ATOM 1616 CG GLN A 106 -0.397 -0.235 9.794 1.00 0.68 C ATOM 1617 CD GLN A 106 -0.163 0.863 8.779 1.00 0.96 C ATOM 1618 OE1 GLN A 106 -0.059 0.604 7.584 1.00 1.66 O ATOM 1619 NE2 GLN A 106 -0.105 2.095 9.250 1.00 1.42 N ATOM 0 H GLN A 106 -2.455 1.291 8.426 1.00 0.39 H new ATOM 0 HA GLN A 106 -2.262 -1.474 8.265 1.00 0.43 H new ATOM 0 HB2 GLN A 106 -2.253 0.441 10.615 1.00 0.52 H new ATOM 0 HB3 GLN A 106 -1.965 -1.276 10.811 1.00 0.52 H new ATOM 0 HG2 GLN A 106 0.135 0.008 10.714 1.00 0.68 H new ATOM 0 HG3 GLN A 106 0.026 -1.166 9.418 1.00 0.68 H new ATOM 0 HE21 GLN A 106 -0.197 2.263 10.252 1.00 1.42 H new ATOM 0 HE22 GLN A 106 0.031 2.879 8.612 1.00 1.42 H new ATOM 1628 N GLU A 107 -5.028 -0.407 9.690 1.00 0.46 N ATOM 1629 CA GLU A 107 -6.365 -0.793 10.129 1.00 0.51 C ATOM 1630 C GLU A 107 -7.088 -1.596 9.043 1.00 0.42 C ATOM 1631 O GLU A 107 -7.885 -2.485 9.332 1.00 0.49 O ATOM 1632 CB GLU A 107 -7.174 0.461 10.473 1.00 0.59 C ATOM 1633 CG GLU A 107 -6.548 1.304 11.572 1.00 1.41 C ATOM 1634 CD GLU A 107 -7.225 2.651 11.734 1.00 2.16 C ATOM 1635 OE1 GLU A 107 -8.354 2.697 12.256 1.00 2.63 O ATOM 1636 OE2 GLU A 107 -6.625 3.673 11.337 1.00 2.82 O ATOM 0 H GLU A 107 -4.873 0.601 9.666 1.00 0.46 H new ATOM 0 HA GLU A 107 -6.270 -1.423 11.013 1.00 0.51 H new ATOM 0 HB2 GLU A 107 -7.283 1.071 9.576 1.00 0.59 H new ATOM 0 HB3 GLU A 107 -8.177 0.164 10.780 1.00 0.59 H new ATOM 0 HG2 GLU A 107 -6.600 0.760 12.515 1.00 1.41 H new ATOM 0 HG3 GLU A 107 -5.492 1.457 11.350 1.00 1.41 H new ATOM 1643 N HIS A 108 -6.771 -1.287 7.792 1.00 0.34 N ATOM 1644 CA HIS A 108 -7.428 -1.904 6.645 1.00 0.37 C ATOM 1645 C HIS A 108 -6.813 -3.246 6.306 1.00 0.46 C ATOM 1646 O HIS A 108 -7.456 -4.106 5.713 1.00 0.53 O ATOM 1647 CB HIS A 108 -7.324 -0.976 5.441 1.00 0.38 C ATOM 1648 CG HIS A 108 -8.257 0.187 5.523 1.00 0.40 C ATOM 1649 ND1 HIS A 108 -7.839 1.471 5.778 1.00 0.52 N ATOM 1650 CD2 HIS A 108 -9.599 0.253 5.378 1.00 0.52 C ATOM 1651 CE1 HIS A 108 -8.878 2.275 5.795 1.00 0.52 C ATOM 1652 NE2 HIS A 108 -9.967 1.564 5.553 1.00 0.52 N ATOM 0 H HIS A 108 -6.055 -0.605 7.544 1.00 0.34 H new ATOM 0 HA HIS A 108 -8.474 -2.069 6.903 1.00 0.37 H new ATOM 0 HB2 HIS A 108 -6.301 -0.610 5.358 1.00 0.38 H new ATOM 0 HB3 HIS A 108 -7.535 -1.541 4.533 1.00 0.38 H new ATOM 0 HD2 HIS A 108 -10.260 -0.574 5.164 1.00 0.52 H new ATOM 0 HE1 HIS A 108 -8.848 3.339 5.976 1.00 0.52 H new ATOM 0 HE2 HIS A 108 -10.919 1.928 5.505 1.00 0.52 H new ATOM 1661 N LEU A 109 -5.560 -3.411 6.675 1.00 0.52 N ATOM 1662 CA LEU A 109 -4.824 -4.611 6.335 1.00 0.70 C ATOM 1663 C LEU A 109 -4.875 -5.624 7.475 1.00 0.79 C ATOM 1664 O LEU A 109 -4.826 -6.833 7.249 1.00 1.24 O ATOM 1665 CB LEU A 109 -3.393 -4.230 5.949 1.00 0.96 C ATOM 1666 CG LEU A 109 -2.559 -3.627 7.058 1.00 0.44 C ATOM 1667 CD1 LEU A 109 -1.966 -4.744 7.865 1.00 0.84 C ATOM 1668 CD2 LEU A 109 -1.466 -2.742 6.506 1.00 0.67 C ATOM 0 H LEU A 109 -5.028 -2.726 7.212 1.00 0.52 H new ATOM 0 HA LEU A 109 -5.287 -5.098 5.477 1.00 0.70 H new ATOM 0 HB2 LEU A 109 -2.885 -5.121 5.579 1.00 0.96 H new ATOM 0 HB3 LEU A 109 -3.435 -3.521 5.122 1.00 0.96 H new ATOM 0 HG LEU A 109 -3.195 -3.003 7.686 1.00 0.44 H new ATOM 0 HD11 LEU A 109 -1.360 -4.329 8.671 1.00 0.84 H new ATOM 0 HD12 LEU A 109 -2.766 -5.351 8.288 1.00 0.84 H new ATOM 0 HD13 LEU A 109 -1.340 -5.364 7.223 1.00 0.84 H new ATOM 0 HD21 LEU A 109 -0.885 -2.325 7.329 1.00 0.67 H new ATOM 0 HD22 LEU A 109 -0.812 -3.330 5.862 1.00 0.67 H new ATOM 0 HD23 LEU A 109 -1.911 -1.932 5.928 1.00 0.67 H new ATOM 1680 N ASN A 110 -4.998 -5.122 8.694 1.00 1.37 N ATOM 1681 CA ASN A 110 -5.048 -5.978 9.869 1.00 1.67 C ATOM 1682 C ASN A 110 -6.496 -6.289 10.227 1.00 1.44 C ATOM 1683 O ASN A 110 -6.792 -7.304 10.854 1.00 1.77 O ATOM 1684 CB ASN A 110 -4.335 -5.296 11.042 1.00 2.17 C ATOM 1685 CG ASN A 110 -4.189 -6.197 12.252 1.00 2.95 C ATOM 1686 OD1 ASN A 110 -5.047 -6.217 13.134 1.00 3.70 O ATOM 1687 ND2 ASN A 110 -3.090 -6.933 12.312 1.00 3.35 N ATOM 0 H ASN A 110 -5.065 -4.124 8.896 1.00 1.37 H new ATOM 0 HA ASN A 110 -4.538 -6.916 9.651 1.00 1.67 H new ATOM 0 HB2 ASN A 110 -3.347 -4.969 10.718 1.00 2.17 H new ATOM 0 HB3 ASN A 110 -4.890 -4.402 11.327 1.00 2.17 H new ATOM 0 HD21 ASN A 110 -2.930 -7.546 13.111 1.00 3.35 H new ATOM 0 HD22 ASN A 110 -2.404 -6.887 11.559 1.00 3.35 H new ATOM 1694 N GLY A 111 -7.401 -5.417 9.802 1.00 1.12 N ATOM 1695 CA GLY A 111 -8.808 -5.608 10.084 1.00 1.12 C ATOM 1696 C GLY A 111 -9.611 -5.901 8.832 1.00 0.87 C ATOM 1697 O GLY A 111 -9.114 -6.564 7.918 1.00 0.93 O ATOM 0 H GLY A 111 -7.183 -4.578 9.265 1.00 1.12 H new ATOM 0 HA2 GLY A 111 -8.926 -6.430 10.790 1.00 1.12 H new ATOM 0 HA3 GLY A 111 -9.204 -4.714 10.566 1.00 1.12 H new ATOM 1701 N PRO A 112 -10.865 -5.430 8.768 1.00 0.86 N ATOM 1702 CA PRO A 112 -11.739 -5.644 7.622 1.00 0.93 C ATOM 1703 C PRO A 112 -11.669 -4.507 6.600 1.00 0.89 C ATOM 1704 O PRO A 112 -11.097 -3.443 6.861 1.00 1.31 O ATOM 1705 CB PRO A 112 -13.114 -5.683 8.282 1.00 1.25 C ATOM 1706 CG PRO A 112 -13.013 -4.741 9.442 1.00 1.30 C ATOM 1707 CD PRO A 112 -11.547 -4.657 9.822 1.00 1.10 C ATOM 0 HA PRO A 112 -11.475 -6.536 7.053 1.00 0.93 H new ATOM 0 HB2 PRO A 112 -13.894 -5.372 7.587 1.00 1.25 H new ATOM 0 HB3 PRO A 112 -13.365 -6.691 8.613 1.00 1.25 H new ATOM 0 HG2 PRO A 112 -13.398 -3.757 9.174 1.00 1.30 H new ATOM 0 HG3 PRO A 112 -13.609 -5.099 10.282 1.00 1.30 H new ATOM 0 HD2 PRO A 112 -11.199 -3.624 9.849 1.00 1.10 H new ATOM 0 HD3 PRO A 112 -11.365 -5.080 10.810 1.00 1.10 H new ATOM 1715 N LEU A 113 -12.260 -4.742 5.437 1.00 0.62 N ATOM 1716 CA LEU A 113 -12.335 -3.740 4.390 1.00 0.58 C ATOM 1717 C LEU A 113 -13.611 -2.919 4.541 1.00 0.69 C ATOM 1718 O LEU A 113 -14.623 -3.413 5.050 1.00 0.90 O ATOM 1719 CB LEU A 113 -12.298 -4.406 3.011 1.00 0.58 C ATOM 1720 CG LEU A 113 -10.970 -5.065 2.641 1.00 0.57 C ATOM 1721 CD1 LEU A 113 -11.057 -5.683 1.256 1.00 1.11 C ATOM 1722 CD2 LEU A 113 -9.835 -4.052 2.713 1.00 1.05 C ATOM 0 H LEU A 113 -12.699 -5.631 5.196 1.00 0.62 H new ATOM 0 HA LEU A 113 -11.475 -3.077 4.480 1.00 0.58 H new ATOM 0 HB2 LEU A 113 -13.084 -5.160 2.969 1.00 0.58 H new ATOM 0 HB3 LEU A 113 -12.535 -3.656 2.257 1.00 0.58 H new ATOM 0 HG LEU A 113 -10.761 -5.859 3.358 1.00 0.57 H new ATOM 0 HD11 LEU A 113 -10.104 -6.149 1.005 1.00 1.11 H new ATOM 0 HD12 LEU A 113 -11.844 -6.437 1.243 1.00 1.11 H new ATOM 0 HD13 LEU A 113 -11.285 -4.907 0.525 1.00 1.11 H new ATOM 0 HD21 LEU A 113 -8.896 -4.538 2.447 1.00 1.05 H new ATOM 0 HD22 LEU A 113 -10.031 -3.236 2.018 1.00 1.05 H new ATOM 0 HD23 LEU A 113 -9.764 -3.657 3.726 1.00 1.05 H new