USER MOD reduce.3.24.130724 H: found=0, std=0, add=904, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 903 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 79 GLN :FLIP amide:sc= -30.5! C(o=-36!,f=-33!) USER MOD Set 1.2: A 80 LYS NZ :NH3+ -167:sc= -2.16! (180deg=-2.62!) USER MOD Set 2.1: A 57 MET CE :methyl 146:sc= -0.0443 (180deg=0) USER MOD Set 2.2: A 91 MET CE :methyl -179:sc= -0.0451 (180deg=-0.00179) USER MOD Set 3.1: A 19 ASN : amide:sc= 0.157 K(o=0.61,f=-4.1!) USER MOD Set 3.2: A 22 LYS NZ :NH3+ 137:sc= 0.448 (180deg=0) USER MOD Single : A 9 THR OG1 : rot 28:sc= 0.175 USER MOD Single : A 13 HIS : no HE2:sc= -1.56! C(o=-1.6!,f=-5.4!) USER MOD Single : A 17 LYS NZ :NH3+ -159:sc= -0.0432 (180deg=-0.336) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 ASN :FLIP amide:sc= -0.141 F(o=-8.6!,f=-0.14) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 HIS : no HD1:sc= -2.19 K(o=-2.2,f=-4.5!) USER MOD Single : A 34 ASN :FLIP amide:sc= -1.22 F(o=-3.4!,f=-1.2) USER MOD Single : A 35 LYS NZ :NH3+ -162:sc= -0.0115 (180deg=-0.204) USER MOD Single : A 37 ASN : amide:sc= -6.61! C(o=-6.6!,f=-7.5!) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 GLN : amide:sc= -7.79! C(o=-7.8!,f=-11!) USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 83 ASN : amide:sc= -1.45 K(o=-1.5,f=-8.7!) USER MOD Single : A 85 SER OG : rot -40:sc= 0.54 USER MOD Single : A 92 GLN : amide:sc= -2.67 K(o=-2.7,f=-4.4!) USER MOD Single : A 98 LYS NZ :NH3+ -161:sc= -0.144 (180deg=-0.879) USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 ASN : amide:sc= 0 X(o=0,f=0.0098) USER MOD Single : A 109 CYS SG : rot 180:sc= 0 USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 113 SER OG : rot 85:sc= 0.31 USER MOD Single : A 114 THR OG1 : rot 180:sc= -0.359 USER MOD Single : A 119 TYR OH : rot 180:sc= 0 USER MOD Single : A 120 ASN : amide:sc= -0.392 X(o=-0.39,f=-0.55) USER MOD Single : A 123 THR OG1 : rot 83:sc= 1.2 USER MOD Single : A 124 LYS NZ :NH3+ -128:sc= -8.68! (180deg=-11.4!) USER MOD Single : A 125 TYR OH : rot 180:sc= 0 USER MOD Single : A 127 ASN : amide:sc=-0.00178 X(o=-0.0018,f=0) USER MOD ----------------------------------------------------------------- ATOM 137 N THR A 9 19.033 -7.253 0.839 1.00 1.61 N ATOM 138 CA THR A 9 19.992 -6.272 1.435 1.00 1.66 C ATOM 139 C THR A 9 19.269 -5.231 2.285 1.00 1.62 C ATOM 140 O THR A 9 19.860 -4.609 3.144 1.00 1.65 O ATOM 141 CB THR A 9 20.757 -5.566 0.313 1.00 1.71 C ATOM 142 OG1 THR A 9 21.372 -6.538 -0.521 1.00 1.71 O ATOM 143 CG2 THR A 9 21.829 -4.657 0.916 1.00 1.78 C ATOM 0 HA THR A 9 20.681 -6.818 2.079 1.00 1.66 H new ATOM 0 HB THR A 9 20.065 -4.965 -0.277 1.00 1.71 H new ATOM 0 HG1 THR A 9 20.853 -7.369 -0.493 1.00 1.71 H new ATOM 0 HG21 THR A 9 22.373 -4.155 0.116 1.00 1.78 H new ATOM 0 HG22 THR A 9 21.356 -3.912 1.556 1.00 1.78 H new ATOM 0 HG23 THR A 9 22.523 -5.255 1.507 1.00 1.78 H new ATOM 151 N LEU A 10 18.010 -5.026 2.065 1.00 1.55 N ATOM 152 CA LEU A 10 17.286 -4.008 2.878 1.00 1.52 C ATOM 153 C LEU A 10 17.061 -4.558 4.295 1.00 1.51 C ATOM 154 O LEU A 10 17.299 -3.882 5.276 1.00 1.54 O ATOM 155 CB LEU A 10 15.939 -3.674 2.203 1.00 1.44 C ATOM 156 CG LEU A 10 16.088 -2.458 1.271 1.00 1.43 C ATOM 157 CD1 LEU A 10 17.033 -2.794 0.113 1.00 1.48 C ATOM 158 CD2 LEU A 10 14.716 -2.082 0.708 1.00 1.36 C ATOM 0 H LEU A 10 17.449 -5.511 1.365 1.00 1.55 H new ATOM 0 HA LEU A 10 17.877 -3.095 2.945 1.00 1.52 H new ATOM 0 HB2 LEU A 10 15.588 -4.535 1.634 1.00 1.44 H new ATOM 0 HB3 LEU A 10 15.186 -3.466 2.964 1.00 1.44 H new ATOM 0 HG LEU A 10 16.500 -1.623 1.838 1.00 1.43 H new ATOM 0 HD11 LEU A 10 17.131 -1.927 -0.540 1.00 1.48 H new ATOM 0 HD12 LEU A 10 18.012 -3.063 0.509 1.00 1.48 H new ATOM 0 HD13 LEU A 10 16.629 -3.632 -0.455 1.00 1.48 H new ATOM 0 HD21 LEU A 10 14.817 -1.221 0.047 1.00 1.36 H new ATOM 0 HD22 LEU A 10 14.310 -2.924 0.147 1.00 1.36 H new ATOM 0 HD23 LEU A 10 14.042 -1.833 1.528 1.00 1.36 H new ATOM 170 N PHE A 11 16.608 -5.777 4.409 1.00 1.48 N ATOM 171 CA PHE A 11 16.373 -6.368 5.760 1.00 1.48 C ATOM 172 C PHE A 11 17.689 -6.916 6.298 1.00 1.55 C ATOM 173 O PHE A 11 17.841 -7.142 7.482 1.00 1.57 O ATOM 174 CB PHE A 11 15.347 -7.505 5.630 1.00 1.42 C ATOM 175 CG PHE A 11 13.964 -6.942 5.699 1.00 1.36 C ATOM 176 CD1 PHE A 11 13.400 -6.489 4.537 1.00 1.31 C ATOM 177 CD2 PHE A 11 13.269 -6.863 6.910 1.00 1.34 C ATOM 178 CE1 PHE A 11 12.118 -5.938 4.542 1.00 1.25 C ATOM 179 CE2 PHE A 11 11.981 -6.316 6.933 1.00 1.27 C ATOM 180 CZ PHE A 11 11.403 -5.851 5.744 1.00 1.23 C ATOM 0 H PHE A 11 16.390 -6.391 3.624 1.00 1.48 H new ATOM 0 HA PHE A 11 15.992 -5.610 6.445 1.00 1.48 H new ATOM 0 HB2 PHE A 11 15.490 -8.031 4.686 1.00 1.42 H new ATOM 0 HB3 PHE A 11 15.494 -8.234 6.427 1.00 1.42 H new ATOM 0 HD1 PHE A 11 13.951 -6.558 3.611 1.00 1.31 H new ATOM 0 HD2 PHE A 11 13.723 -7.222 7.822 1.00 1.34 H new ATOM 0 HE1 PHE A 11 11.678 -5.580 3.623 1.00 1.25 H new ATOM 0 HE2 PHE A 11 11.435 -6.253 7.863 1.00 1.27 H new ATOM 0 HZ PHE A 11 10.410 -5.427 5.754 1.00 1.23 H new ATOM 190 N ASP A 12 18.639 -7.132 5.434 1.00 1.58 N ATOM 191 CA ASP A 12 19.960 -7.674 5.890 1.00 1.65 C ATOM 192 C ASP A 12 20.972 -6.537 6.051 1.00 1.70 C ATOM 193 O ASP A 12 22.034 -6.725 6.611 1.00 1.75 O ATOM 194 CB ASP A 12 20.490 -8.681 4.867 1.00 1.68 C ATOM 195 CG ASP A 12 19.460 -9.795 4.662 1.00 1.63 C ATOM 196 OD1 ASP A 12 18.708 -10.056 5.586 1.00 1.65 O ATOM 197 OD2 ASP A 12 19.443 -10.368 3.585 1.00 1.58 O ATOM 0 H ASP A 12 18.564 -6.959 4.432 1.00 1.58 H new ATOM 0 HA ASP A 12 19.820 -8.169 6.851 1.00 1.65 H new ATOM 0 HB2 ASP A 12 20.693 -8.180 3.920 1.00 1.68 H new ATOM 0 HB3 ASP A 12 21.434 -9.103 5.213 1.00 1.68 H new ATOM 202 N HIS A 13 20.668 -5.359 5.565 1.00 1.70 N ATOM 203 CA HIS A 13 21.644 -4.230 5.703 1.00 1.76 C ATOM 204 C HIS A 13 20.918 -2.882 5.835 1.00 1.73 C ATOM 205 O HIS A 13 21.482 -1.847 5.541 1.00 1.77 O ATOM 206 CB HIS A 13 22.551 -4.198 4.466 1.00 1.80 C ATOM 207 CG HIS A 13 23.792 -3.396 4.762 1.00 1.86 C ATOM 208 ND1 HIS A 13 23.823 -2.418 5.744 1.00 1.87 N ATOM 209 CD2 HIS A 13 25.051 -3.418 4.215 1.00 1.91 C ATOM 210 CE1 HIS A 13 25.063 -1.896 5.757 1.00 1.93 C ATOM 211 NE2 HIS A 13 25.852 -2.470 4.845 1.00 1.95 N ATOM 0 H HIS A 13 19.798 -5.130 5.084 1.00 1.70 H new ATOM 0 HA HIS A 13 22.235 -4.391 6.605 1.00 1.76 H new ATOM 0 HB2 HIS A 13 22.824 -5.213 4.177 1.00 1.80 H new ATOM 0 HB3 HIS A 13 22.016 -3.760 3.623 1.00 1.80 H new ATOM 0 HD1 HIS A 13 23.047 -2.144 6.347 1.00 1.87 H new ATOM 0 HD2 HIS A 13 25.371 -4.072 3.417 1.00 1.91 H new ATOM 0 HE1 HIS A 13 25.382 -1.109 6.424 1.00 1.93 H new ATOM 219 N ALA A 14 19.691 -2.867 6.290 1.00 1.66 N ATOM 220 CA ALA A 14 18.987 -1.554 6.440 1.00 1.63 C ATOM 221 C ALA A 14 17.662 -1.712 7.198 1.00 1.56 C ATOM 222 O ALA A 14 16.610 -1.484 6.634 1.00 1.51 O ATOM 223 CB ALA A 14 18.703 -0.969 5.054 1.00 1.62 C ATOM 0 H ALA A 14 19.153 -3.690 6.560 1.00 1.66 H new ATOM 0 HA ALA A 14 19.633 -0.887 7.011 1.00 1.63 H new ATOM 0 HB1 ALA A 14 18.190 -0.013 5.161 1.00 1.62 H new ATOM 0 HB2 ALA A 14 19.643 -0.820 4.523 1.00 1.62 H new ATOM 0 HB3 ALA A 14 18.073 -1.657 4.491 1.00 1.62 H new ATOM 229 N PRO A 15 17.739 -2.061 8.463 1.00 1.57 N ATOM 230 CA PRO A 15 16.534 -2.201 9.292 1.00 1.51 C ATOM 231 C PRO A 15 15.959 -0.801 9.570 1.00 1.50 C ATOM 232 O PRO A 15 14.831 -0.653 9.996 1.00 1.44 O ATOM 233 CB PRO A 15 17.032 -2.863 10.600 1.00 1.54 C ATOM 234 CG PRO A 15 18.578 -2.998 10.498 1.00 1.62 C ATOM 235 CD PRO A 15 19.007 -2.355 9.164 1.00 1.64 C ATOM 0 HA PRO A 15 15.749 -2.792 8.820 1.00 1.51 H new ATOM 0 HB2 PRO A 15 16.756 -2.259 11.464 1.00 1.54 H new ATOM 0 HB3 PRO A 15 16.570 -3.841 10.734 1.00 1.54 H new ATOM 0 HG2 PRO A 15 19.063 -2.501 11.338 1.00 1.62 H new ATOM 0 HG3 PRO A 15 18.875 -4.046 10.533 1.00 1.62 H new ATOM 0 HD2 PRO A 15 19.587 -1.447 9.331 1.00 1.64 H new ATOM 0 HD3 PRO A 15 19.633 -3.031 8.582 1.00 1.64 H new ATOM 243 N ASP A 16 16.745 0.224 9.347 1.00 1.55 N ATOM 244 CA ASP A 16 16.265 1.617 9.615 1.00 1.55 C ATOM 245 C ASP A 16 15.530 2.177 8.394 1.00 1.52 C ATOM 246 O ASP A 16 14.456 2.738 8.504 1.00 1.48 O ATOM 247 CB ASP A 16 17.464 2.511 9.933 1.00 1.63 C ATOM 248 CG ASP A 16 16.986 3.948 10.151 1.00 1.65 C ATOM 249 OD1 ASP A 16 16.610 4.580 9.177 1.00 1.68 O ATOM 250 OD2 ASP A 16 17.003 4.392 11.287 1.00 1.64 O ATOM 0 H ASP A 16 17.698 0.157 8.991 1.00 1.55 H new ATOM 0 HA ASP A 16 15.578 1.595 10.461 1.00 1.55 H new ATOM 0 HB2 ASP A 16 17.976 2.148 10.824 1.00 1.63 H new ATOM 0 HB3 ASP A 16 18.184 2.476 9.115 1.00 1.63 H new ATOM 255 N LYS A 17 16.105 2.044 7.233 1.00 1.55 N ATOM 256 CA LYS A 17 15.445 2.578 6.011 1.00 1.54 C ATOM 257 C LYS A 17 14.098 1.886 5.820 1.00 1.46 C ATOM 258 O LYS A 17 13.110 2.509 5.493 1.00 1.42 O ATOM 259 CB LYS A 17 16.334 2.321 4.793 1.00 1.59 C ATOM 260 CG LYS A 17 17.676 3.034 4.983 1.00 1.67 C ATOM 261 CD LYS A 17 18.498 2.942 3.695 1.00 1.72 C ATOM 262 CE LYS A 17 19.657 3.939 3.759 1.00 1.80 C ATOM 263 NZ LYS A 17 19.132 5.323 3.585 1.00 1.80 N ATOM 0 H LYS A 17 17.004 1.588 7.077 1.00 1.55 H new ATOM 0 HA LYS A 17 15.289 3.651 6.121 1.00 1.54 H new ATOM 0 HB2 LYS A 17 16.493 1.250 4.665 1.00 1.59 H new ATOM 0 HB3 LYS A 17 15.843 2.681 3.889 1.00 1.59 H new ATOM 0 HG2 LYS A 17 17.509 4.079 5.245 1.00 1.67 H new ATOM 0 HG3 LYS A 17 18.225 2.582 5.809 1.00 1.67 H new ATOM 0 HD2 LYS A 17 18.881 1.930 3.567 1.00 1.72 H new ATOM 0 HD3 LYS A 17 17.867 3.156 2.832 1.00 1.72 H new ATOM 0 HE2 LYS A 17 20.173 3.852 4.715 1.00 1.80 H new ATOM 0 HE3 LYS A 17 20.387 3.715 2.981 1.00 1.80 H new ATOM 0 HZ1 LYS A 17 19.902 5.950 3.275 1.00 1.80 H new ATOM 0 HZ2 LYS A 17 18.378 5.321 2.869 1.00 1.80 H new ATOM 0 HZ3 LYS A 17 18.750 5.665 4.489 1.00 1.80 H new ATOM 277 N LEU A 18 14.047 0.601 6.026 1.00 1.43 N ATOM 278 CA LEU A 18 12.759 -0.126 5.859 1.00 1.36 C ATOM 279 C LEU A 18 11.678 0.574 6.681 1.00 1.31 C ATOM 280 O LEU A 18 10.525 0.616 6.303 1.00 1.26 O ATOM 281 CB LEU A 18 12.925 -1.569 6.347 1.00 1.35 C ATOM 282 CG LEU A 18 13.620 -2.413 5.264 1.00 1.35 C ATOM 283 CD1 LEU A 18 14.216 -3.667 5.901 1.00 1.28 C ATOM 284 CD2 LEU A 18 12.614 -2.829 4.176 1.00 1.41 C ATOM 0 H LEU A 18 14.840 0.023 6.303 1.00 1.43 H new ATOM 0 HA LEU A 18 12.470 -0.131 4.808 1.00 1.36 H new ATOM 0 HB2 LEU A 18 13.512 -1.586 7.265 1.00 1.35 H new ATOM 0 HB3 LEU A 18 11.950 -1.996 6.583 1.00 1.35 H new ATOM 0 HG LEU A 18 14.408 -1.815 4.808 1.00 1.35 H new ATOM 0 HD11 LEU A 18 14.708 -4.265 5.135 1.00 1.28 H new ATOM 0 HD12 LEU A 18 14.944 -3.379 6.660 1.00 1.28 H new ATOM 0 HD13 LEU A 18 13.422 -4.253 6.364 1.00 1.28 H new ATOM 0 HD21 LEU A 18 13.123 -3.425 3.419 1.00 1.41 H new ATOM 0 HD22 LEU A 18 11.815 -3.419 4.625 1.00 1.41 H new ATOM 0 HD23 LEU A 18 12.190 -1.938 3.712 1.00 1.41 H new ATOM 296 N ASN A 19 12.043 1.127 7.802 1.00 1.33 N ATOM 297 CA ASN A 19 11.035 1.826 8.643 1.00 1.29 C ATOM 298 C ASN A 19 10.601 3.111 7.939 1.00 1.30 C ATOM 299 O ASN A 19 9.429 3.344 7.721 1.00 1.25 O ATOM 300 CB ASN A 19 11.650 2.169 10.001 1.00 1.32 C ATOM 301 CG ASN A 19 10.627 2.930 10.844 1.00 1.27 C ATOM 302 OD1 ASN A 19 9.451 2.933 10.538 1.00 1.29 O ATOM 303 ND2 ASN A 19 11.028 3.581 11.901 1.00 1.22 N ATOM 0 H ASN A 19 12.994 1.125 8.172 1.00 1.33 H new ATOM 0 HA ASN A 19 10.170 1.179 8.793 1.00 1.29 H new ATOM 0 HB2 ASN A 19 11.955 1.258 10.515 1.00 1.32 H new ATOM 0 HB3 ASN A 19 12.547 2.773 9.864 1.00 1.32 H new ATOM 0 HD21 ASN A 19 10.354 4.093 12.471 1.00 1.22 H new ATOM 0 HD22 ASN A 19 12.015 3.578 12.158 1.00 1.22 H new ATOM 310 N VAL A 20 11.538 3.944 7.578 1.00 1.36 N ATOM 311 CA VAL A 20 11.180 5.215 6.885 1.00 1.38 C ATOM 312 C VAL A 20 10.570 4.909 5.511 1.00 1.34 C ATOM 313 O VAL A 20 9.761 5.659 5.000 1.00 1.32 O ATOM 314 CB VAL A 20 12.439 6.066 6.705 1.00 1.46 C ATOM 315 CG1 VAL A 20 12.054 7.438 6.148 1.00 1.48 C ATOM 316 CG2 VAL A 20 13.132 6.245 8.057 1.00 1.50 C ATOM 0 H VAL A 20 12.536 3.800 7.733 1.00 1.36 H new ATOM 0 HA VAL A 20 10.451 5.758 7.486 1.00 1.38 H new ATOM 0 HB VAL A 20 13.116 5.568 6.011 1.00 1.46 H new ATOM 0 HG11 VAL A 20 12.951 8.044 6.020 1.00 1.48 H new ATOM 0 HG12 VAL A 20 11.560 7.314 5.185 1.00 1.48 H new ATOM 0 HG13 VAL A 20 11.376 7.935 6.842 1.00 1.48 H new ATOM 0 HG21 VAL A 20 14.029 6.851 7.929 1.00 1.50 H new ATOM 0 HG22 VAL A 20 12.454 6.742 8.750 1.00 1.50 H new ATOM 0 HG23 VAL A 20 13.408 5.269 8.457 1.00 1.50 H new ATOM 326 N VAL A 21 10.952 3.819 4.902 1.00 1.33 N ATOM 327 CA VAL A 21 10.389 3.487 3.561 1.00 1.30 C ATOM 328 C VAL A 21 8.882 3.216 3.688 1.00 1.22 C ATOM 329 O VAL A 21 8.089 3.719 2.911 1.00 1.19 O ATOM 330 CB VAL A 21 11.115 2.260 2.989 1.00 1.30 C ATOM 331 CG1 VAL A 21 10.362 1.729 1.765 1.00 1.26 C ATOM 332 CG2 VAL A 21 12.540 2.659 2.570 1.00 1.38 C ATOM 0 H VAL A 21 11.625 3.148 5.272 1.00 1.33 H new ATOM 0 HA VAL A 21 10.535 4.327 2.881 1.00 1.30 H new ATOM 0 HB VAL A 21 11.156 1.483 3.752 1.00 1.30 H new ATOM 0 HG11 VAL A 21 10.884 0.859 1.366 1.00 1.26 H new ATOM 0 HG12 VAL A 21 9.351 1.444 2.055 1.00 1.26 H new ATOM 0 HG13 VAL A 21 10.315 2.506 1.002 1.00 1.26 H new ATOM 0 HG21 VAL A 21 13.057 1.789 2.164 1.00 1.38 H new ATOM 0 HG22 VAL A 21 12.491 3.439 1.811 1.00 1.38 H new ATOM 0 HG23 VAL A 21 13.084 3.031 3.438 1.00 1.38 H new ATOM 342 N LYS A 22 8.463 2.454 4.668 1.00 1.19 N ATOM 343 CA LYS A 22 7.011 2.210 4.815 1.00 1.12 C ATOM 344 C LYS A 22 6.365 3.563 5.061 1.00 1.12 C ATOM 345 O LYS A 22 5.320 3.840 4.556 1.00 1.09 O ATOM 346 CB LYS A 22 6.769 1.231 5.988 1.00 1.09 C ATOM 347 CG LYS A 22 5.371 1.426 6.652 1.00 1.03 C ATOM 348 CD LYS A 22 5.435 1.009 8.129 1.00 1.03 C ATOM 349 CE LYS A 22 6.052 2.144 8.960 1.00 1.09 C ATOM 350 NZ LYS A 22 6.753 1.567 10.141 1.00 1.14 N ATOM 0 H LYS A 22 9.060 2.000 5.359 1.00 1.19 H new ATOM 0 HA LYS A 22 6.578 1.752 3.926 1.00 1.12 H new ATOM 0 HB2 LYS A 22 6.855 0.207 5.625 1.00 1.09 H new ATOM 0 HB3 LYS A 22 7.547 1.370 6.739 1.00 1.09 H new ATOM 0 HG2 LYS A 22 5.062 2.468 6.572 1.00 1.03 H new ATOM 0 HG3 LYS A 22 4.623 0.831 6.128 1.00 1.03 H new ATOM 0 HD2 LYS A 22 4.435 0.779 8.496 1.00 1.03 H new ATOM 0 HD3 LYS A 22 6.030 0.102 8.236 1.00 1.03 H new ATOM 0 HE2 LYS A 22 6.752 2.716 8.351 1.00 1.09 H new ATOM 0 HE3 LYS A 22 5.275 2.835 9.286 1.00 1.09 H new ATOM 0 HZ1 LYS A 22 7.667 2.047 10.271 1.00 1.14 H new ATOM 0 HZ2 LYS A 22 6.168 1.700 10.991 1.00 1.14 H new ATOM 0 HZ3 LYS A 22 6.914 0.551 9.987 1.00 1.14 H new ATOM 364 N LYS A 23 6.980 4.389 5.857 1.00 1.17 N ATOM 365 CA LYS A 23 6.394 5.732 6.162 1.00 1.18 C ATOM 366 C LYS A 23 6.174 6.539 4.875 1.00 1.20 C ATOM 367 O LYS A 23 5.273 7.351 4.790 1.00 1.20 O ATOM 368 CB LYS A 23 7.342 6.507 7.082 1.00 1.25 C ATOM 369 CG LYS A 23 7.341 5.877 8.475 1.00 1.23 C ATOM 370 CD LYS A 23 8.030 6.820 9.463 1.00 1.29 C ATOM 371 CE LYS A 23 8.059 6.176 10.851 1.00 1.36 C ATOM 372 NZ LYS A 23 9.022 6.911 11.718 1.00 1.39 N ATOM 0 H LYS A 23 7.870 4.195 6.315 1.00 1.17 H new ATOM 0 HA LYS A 23 5.432 5.583 6.652 1.00 1.18 H new ATOM 0 HB2 LYS A 23 8.351 6.499 6.670 1.00 1.25 H new ATOM 0 HB3 LYS A 23 7.031 7.550 7.144 1.00 1.25 H new ATOM 0 HG2 LYS A 23 6.318 5.681 8.796 1.00 1.23 H new ATOM 0 HG3 LYS A 23 7.857 4.917 8.452 1.00 1.23 H new ATOM 0 HD2 LYS A 23 9.045 7.035 9.129 1.00 1.29 H new ATOM 0 HD3 LYS A 23 7.500 7.772 9.503 1.00 1.29 H new ATOM 0 HE2 LYS A 23 7.064 6.198 11.295 1.00 1.36 H new ATOM 0 HE3 LYS A 23 8.350 5.129 10.772 1.00 1.36 H new ATOM 0 HZ1 LYS A 23 9.043 6.474 12.662 1.00 1.39 H new ATOM 0 HZ2 LYS A 23 9.972 6.868 11.296 1.00 1.39 H new ATOM 0 HZ3 LYS A 23 8.725 7.904 11.803 1.00 1.39 H new ATOM 386 N THR A 24 6.975 6.331 3.871 1.00 1.22 N ATOM 387 CA THR A 24 6.774 7.105 2.609 1.00 1.24 C ATOM 388 C THR A 24 5.577 6.518 1.884 1.00 1.18 C ATOM 389 O THR A 24 4.826 7.204 1.219 1.00 1.18 O ATOM 390 CB THR A 24 8.019 7.012 1.723 1.00 1.30 C ATOM 391 OG1 THR A 24 9.100 7.677 2.362 1.00 1.36 O ATOM 392 CG2 THR A 24 7.734 7.674 0.373 1.00 1.31 C ATOM 0 H THR A 24 7.751 5.669 3.864 1.00 1.22 H new ATOM 0 HA THR A 24 6.601 8.156 2.840 1.00 1.24 H new ATOM 0 HB THR A 24 8.279 5.965 1.564 1.00 1.30 H new ATOM 0 HG1 THR A 24 9.899 7.618 1.798 1.00 1.36 H new ATOM 0 HG21 THR A 24 8.620 7.608 -0.259 1.00 1.31 H new ATOM 0 HG22 THR A 24 6.903 7.164 -0.114 1.00 1.31 H new ATOM 0 HG23 THR A 24 7.476 8.722 0.529 1.00 1.31 H new ATOM 400 N LEU A 25 5.376 5.253 2.046 1.00 1.13 N ATOM 401 CA LEU A 25 4.213 4.601 1.417 1.00 1.07 C ATOM 402 C LEU A 25 2.965 5.062 2.178 1.00 1.03 C ATOM 403 O LEU A 25 1.883 5.187 1.624 1.00 0.99 O ATOM 404 CB LEU A 25 4.415 3.095 1.521 1.00 1.03 C ATOM 405 CG LEU A 25 5.594 2.698 0.619 1.00 1.08 C ATOM 406 CD1 LEU A 25 6.011 1.243 0.909 1.00 1.06 C ATOM 407 CD2 LEU A 25 5.217 2.885 -0.875 1.00 1.09 C ATOM 0 H LEU A 25 5.975 4.635 2.594 1.00 1.13 H new ATOM 0 HA LEU A 25 4.099 4.862 0.365 1.00 1.07 H new ATOM 0 HB2 LEU A 25 4.616 2.810 2.554 1.00 1.03 H new ATOM 0 HB3 LEU A 25 3.510 2.569 1.215 1.00 1.03 H new ATOM 0 HG LEU A 25 6.443 3.347 0.834 1.00 1.08 H new ATOM 0 HD11 LEU A 25 6.847 0.969 0.266 1.00 1.06 H new ATOM 0 HD12 LEU A 25 6.311 1.152 1.953 1.00 1.06 H new ATOM 0 HD13 LEU A 25 5.170 0.578 0.714 1.00 1.06 H new ATOM 0 HD21 LEU A 25 6.062 2.600 -1.502 1.00 1.09 H new ATOM 0 HD22 LEU A 25 4.359 2.257 -1.115 1.00 1.09 H new ATOM 0 HD23 LEU A 25 4.965 3.929 -1.059 1.00 1.09 H new ATOM 419 N ILE A 26 3.127 5.371 3.444 1.00 1.04 N ATOM 420 CA ILE A 26 1.983 5.878 4.233 1.00 1.01 C ATOM 421 C ILE A 26 1.598 7.209 3.612 1.00 1.05 C ATOM 422 O ILE A 26 0.446 7.533 3.503 1.00 1.02 O ATOM 423 CB ILE A 26 2.388 6.086 5.708 1.00 1.03 C ATOM 424 CG1 ILE A 26 2.735 4.728 6.336 1.00 0.99 C ATOM 425 CG2 ILE A 26 1.229 6.732 6.488 1.00 1.02 C ATOM 426 CD1 ILE A 26 2.960 4.880 7.842 1.00 1.01 C ATOM 0 H ILE A 26 4.006 5.290 3.955 1.00 1.04 H new ATOM 0 HA ILE A 26 1.155 5.170 4.219 1.00 1.01 H new ATOM 0 HB ILE A 26 3.256 6.744 5.752 1.00 1.03 H new ATOM 0 HG12 ILE A 26 1.929 4.018 6.152 1.00 0.99 H new ATOM 0 HG13 ILE A 26 3.631 4.321 5.867 1.00 0.99 H new ATOM 0 HG21 ILE A 26 1.525 6.875 7.527 1.00 1.02 H new ATOM 0 HG22 ILE A 26 0.985 7.697 6.044 1.00 1.02 H new ATOM 0 HG23 ILE A 26 0.355 6.082 6.445 1.00 1.02 H new ATOM 0 HD11 ILE A 26 3.205 3.909 8.273 1.00 1.01 H new ATOM 0 HD12 ILE A 26 3.782 5.574 8.019 1.00 1.01 H new ATOM 0 HD13 ILE A 26 2.053 5.266 8.308 1.00 1.01 H new ATOM 438 N THR A 27 2.573 7.978 3.199 1.00 1.11 N ATOM 439 CA THR A 27 2.279 9.299 2.572 1.00 1.15 C ATOM 440 C THR A 27 1.543 9.081 1.240 1.00 1.12 C ATOM 441 O THR A 27 0.694 9.858 0.860 1.00 1.12 O ATOM 442 CB THR A 27 3.600 10.052 2.338 1.00 1.23 C ATOM 443 OG1 THR A 27 4.094 10.523 3.584 1.00 1.27 O ATOM 444 CG2 THR A 27 3.373 11.243 1.402 1.00 1.27 C ATOM 0 H THR A 27 3.564 7.745 3.270 1.00 1.11 H new ATOM 0 HA THR A 27 1.644 9.891 3.231 1.00 1.15 H new ATOM 0 HB THR A 27 4.321 9.374 1.881 1.00 1.23 H new ATOM 0 HG1 THR A 27 4.937 11.002 3.442 1.00 1.27 H new ATOM 0 HG21 THR A 27 4.316 11.767 1.245 1.00 1.27 H new ATOM 0 HG22 THR A 27 2.992 10.886 0.445 1.00 1.27 H new ATOM 0 HG23 THR A 27 2.649 11.924 1.849 1.00 1.27 H new ATOM 452 N PHE A 28 1.856 8.028 0.534 1.00 1.10 N ATOM 453 CA PHE A 28 1.166 7.758 -0.764 1.00 1.07 C ATOM 454 C PHE A 28 -0.348 7.686 -0.514 1.00 1.01 C ATOM 455 O PHE A 28 -1.143 8.416 -1.105 1.00 1.02 O ATOM 456 CB PHE A 28 1.682 6.413 -1.304 1.00 1.05 C ATOM 457 CG PHE A 28 1.126 6.114 -2.697 1.00 1.03 C ATOM 458 CD1 PHE A 28 1.272 7.032 -3.760 1.00 1.08 C ATOM 459 CD2 PHE A 28 0.438 4.909 -2.921 1.00 0.97 C ATOM 460 CE1 PHE A 28 0.727 6.742 -5.011 1.00 1.06 C ATOM 461 CE2 PHE A 28 -0.097 4.624 -4.180 1.00 0.96 C ATOM 462 CZ PHE A 28 0.041 5.541 -5.223 1.00 1.00 C ATOM 0 H PHE A 28 2.561 7.341 0.799 1.00 1.10 H new ATOM 0 HA PHE A 28 1.367 8.547 -1.489 1.00 1.07 H new ATOM 0 HB2 PHE A 28 2.771 6.430 -1.342 1.00 1.05 H new ATOM 0 HB3 PHE A 28 1.399 5.613 -0.620 1.00 1.05 H new ATOM 0 HD1 PHE A 28 1.805 7.958 -3.605 1.00 1.08 H new ATOM 0 HD2 PHE A 28 0.322 4.199 -2.115 1.00 0.97 H new ATOM 0 HE1 PHE A 28 0.835 7.449 -5.821 1.00 1.06 H new ATOM 0 HE2 PHE A 28 -0.618 3.693 -4.346 1.00 0.96 H new ATOM 0 HZ PHE A 28 -0.381 5.324 -6.193 1.00 1.00 H new ATOM 472 N VAL A 29 -0.759 6.819 0.369 1.00 0.97 N ATOM 473 CA VAL A 29 -2.214 6.709 0.661 1.00 0.92 C ATOM 474 C VAL A 29 -2.701 8.002 1.325 1.00 0.95 C ATOM 475 O VAL A 29 -3.755 8.506 1.004 1.00 0.94 O ATOM 476 CB VAL A 29 -2.468 5.517 1.587 1.00 0.86 C ATOM 477 CG1 VAL A 29 -3.960 5.169 1.579 1.00 0.81 C ATOM 478 CG2 VAL A 29 -1.661 4.311 1.094 1.00 0.85 C ATOM 0 H VAL A 29 -0.156 6.187 0.896 1.00 0.97 H new ATOM 0 HA VAL A 29 -2.760 6.556 -0.270 1.00 0.92 H new ATOM 0 HB VAL A 29 -2.162 5.773 2.601 1.00 0.86 H new ATOM 0 HG11 VAL A 29 -4.139 4.320 2.239 1.00 0.81 H new ATOM 0 HG12 VAL A 29 -4.536 6.027 1.927 1.00 0.81 H new ATOM 0 HG13 VAL A 29 -4.268 4.912 0.566 1.00 0.81 H new ATOM 0 HG21 VAL A 29 -1.840 3.460 1.752 1.00 0.85 H new ATOM 0 HG22 VAL A 29 -1.969 4.057 0.080 1.00 0.85 H new ATOM 0 HG23 VAL A 29 -0.599 4.557 1.099 1.00 0.85 H new ATOM 488 N ASN A 30 -1.936 8.550 2.237 1.00 0.99 N ATOM 489 CA ASN A 30 -2.351 9.818 2.911 1.00 1.03 C ATOM 490 C ASN A 30 -2.658 10.857 1.846 1.00 1.06 C ATOM 491 O ASN A 30 -3.345 11.814 2.082 1.00 1.09 O ATOM 492 CB ASN A 30 -1.206 10.344 3.803 1.00 1.08 C ATOM 493 CG ASN A 30 -1.768 10.963 5.089 1.00 1.08 C ATOM 494 OD1 ASN A 30 -2.048 10.188 6.100 1.00 1.11 O flip ATOM 495 ND2 ASN A 30 -1.952 12.161 5.172 1.00 1.06 N flip ATOM 0 H ASN A 30 -1.040 8.172 2.544 1.00 0.99 H new ATOM 0 HA ASN A 30 -3.229 9.628 3.528 1.00 1.03 H new ATOM 0 HB2 ASN A 30 -0.527 9.529 4.052 1.00 1.08 H new ATOM 0 HB3 ASN A 30 -0.625 11.088 3.258 1.00 1.08 H new ATOM 0 HD21 ASN A 30 -1.733 12.767 4.381 1.00 1.06 H new ATOM 0 HD22 ASN A 30 -2.326 12.561 6.033 1.00 1.06 H new ATOM 502 N LYS A 31 -2.137 10.675 0.678 1.00 1.07 N ATOM 503 CA LYS A 31 -2.378 11.658 -0.395 1.00 1.11 C ATOM 504 C LYS A 31 -3.758 11.411 -0.950 1.00 1.06 C ATOM 505 O LYS A 31 -4.611 12.271 -0.920 1.00 1.08 O ATOM 506 CB LYS A 31 -1.332 11.481 -1.498 1.00 1.13 C ATOM 507 CG LYS A 31 -1.373 12.691 -2.436 1.00 1.18 C ATOM 508 CD LYS A 31 -0.376 12.497 -3.589 1.00 1.19 C ATOM 509 CE LYS A 31 1.044 12.850 -3.131 1.00 1.23 C ATOM 510 NZ LYS A 31 1.950 12.880 -4.314 1.00 1.29 N ATOM 0 H LYS A 31 -1.550 9.882 0.418 1.00 1.07 H new ATOM 0 HA LYS A 31 -2.305 12.674 -0.007 1.00 1.11 H new ATOM 0 HB2 LYS A 31 -0.339 11.380 -1.060 1.00 1.13 H new ATOM 0 HB3 LYS A 31 -1.528 10.566 -2.057 1.00 1.13 H new ATOM 0 HG2 LYS A 31 -2.380 12.820 -2.833 1.00 1.18 H new ATOM 0 HG3 LYS A 31 -1.130 13.598 -1.883 1.00 1.18 H new ATOM 0 HD2 LYS A 31 -0.407 11.464 -3.936 1.00 1.19 H new ATOM 0 HD3 LYS A 31 -0.660 13.125 -4.433 1.00 1.19 H new ATOM 0 HE2 LYS A 31 1.047 13.819 -2.632 1.00 1.23 H new ATOM 0 HE3 LYS A 31 1.398 12.117 -2.406 1.00 1.23 H new ATOM 0 HZ1 LYS A 31 2.914 13.119 -4.007 1.00 1.29 H new ATOM 0 HZ2 LYS A 31 1.954 11.946 -4.772 1.00 1.29 H new ATOM 0 HZ3 LYS A 31 1.615 13.596 -4.990 1.00 1.29 H new ATOM 524 N HIS A 32 -4.007 10.223 -1.413 1.00 1.01 N ATOM 525 CA HIS A 32 -5.304 9.902 -1.928 1.00 0.97 C ATOM 526 C HIS A 32 -6.314 10.042 -0.801 1.00 0.95 C ATOM 527 O HIS A 32 -7.469 10.333 -1.012 1.00 0.95 O ATOM 528 CB HIS A 32 -5.181 8.469 -2.381 1.00 0.91 C ATOM 529 CG HIS A 32 -4.484 8.397 -3.714 1.00 0.93 C ATOM 530 ND1 HIS A 32 -3.539 7.423 -3.992 1.00 0.89 N ATOM 531 CD2 HIS A 32 -4.558 9.179 -4.842 1.00 0.98 C ATOM 532 CE1 HIS A 32 -3.083 7.642 -5.238 1.00 0.93 C ATOM 533 NE2 HIS A 32 -3.669 8.700 -5.800 1.00 0.98 N ATOM 0 H HIS A 32 -3.330 9.461 -1.445 1.00 1.01 H new ATOM 0 HA HIS A 32 -5.632 10.547 -2.743 1.00 0.97 H new ATOM 0 HB2 HIS A 32 -4.625 7.894 -1.641 1.00 0.91 H new ATOM 0 HB3 HIS A 32 -6.171 8.019 -2.456 1.00 0.91 H new ATOM 0 HD2 HIS A 32 -5.206 10.034 -4.966 1.00 0.98 H new ATOM 0 HE1 HIS A 32 -2.334 7.035 -5.724 1.00 0.93 H new ATOM 0 HE2 HIS A 32 -3.502 9.078 -6.733 1.00 0.98 H new ATOM 541 N LEU A 33 -5.863 9.870 0.401 1.00 0.95 N ATOM 542 CA LEU A 33 -6.764 10.021 1.568 1.00 0.94 C ATOM 543 C LEU A 33 -6.851 11.510 1.864 1.00 1.01 C ATOM 544 O LEU A 33 -7.926 12.048 2.044 1.00 1.02 O ATOM 545 CB LEU A 33 -6.183 9.259 2.759 1.00 0.92 C ATOM 546 CG LEU A 33 -6.643 7.788 2.741 1.00 0.85 C ATOM 547 CD1 LEU A 33 -5.832 6.995 3.775 1.00 0.82 C ATOM 548 CD2 LEU A 33 -8.148 7.680 3.074 1.00 0.84 C ATOM 0 H LEU A 33 -4.899 9.629 0.629 1.00 0.95 H new ATOM 0 HA LEU A 33 -7.757 9.617 1.369 1.00 0.94 H new ATOM 0 HB2 LEU A 33 -5.094 9.305 2.731 1.00 0.92 H new ATOM 0 HB3 LEU A 33 -6.498 9.732 3.689 1.00 0.92 H new ATOM 0 HG LEU A 33 -6.480 7.381 1.743 1.00 0.85 H new ATOM 0 HD11 LEU A 33 -6.153 5.953 3.767 1.00 0.82 H new ATOM 0 HD12 LEU A 33 -4.772 7.050 3.526 1.00 0.82 H new ATOM 0 HD13 LEU A 33 -5.995 7.417 4.767 1.00 0.82 H new ATOM 0 HD21 LEU A 33 -8.451 6.633 3.056 1.00 0.84 H new ATOM 0 HD22 LEU A 33 -8.332 8.093 4.066 1.00 0.84 H new ATOM 0 HD23 LEU A 33 -8.725 8.237 2.336 1.00 0.84 H new ATOM 560 N ASN A 34 -5.726 12.191 1.893 1.00 1.05 N ATOM 561 CA ASN A 34 -5.765 13.664 2.145 1.00 1.12 C ATOM 562 C ASN A 34 -6.892 14.286 1.303 1.00 1.14 C ATOM 563 O ASN A 34 -7.480 15.277 1.687 1.00 1.18 O ATOM 564 CB ASN A 34 -4.418 14.302 1.770 1.00 1.18 C ATOM 565 CG ASN A 34 -4.553 15.828 1.712 1.00 1.25 C ATOM 566 OD1 ASN A 34 -5.265 16.373 0.764 1.00 1.26 O flip ATOM 567 ND2 ASN A 34 -4.005 16.529 2.539 1.00 1.29 N flip ATOM 0 H ASN A 34 -4.797 11.794 1.755 1.00 1.05 H new ATOM 0 HA ASN A 34 -5.952 13.847 3.203 1.00 1.12 H new ATOM 0 HB2 ASN A 34 -3.659 14.024 2.502 1.00 1.18 H new ATOM 0 HB3 ASN A 34 -4.084 13.922 0.805 1.00 1.18 H new ATOM 0 HD21 ASN A 34 -3.448 16.103 3.280 1.00 1.29 H new ATOM 0 HD22 ASN A 34 -4.102 17.543 2.492 1.00 1.29 H new ATOM 574 N LYS A 35 -7.227 13.701 0.170 1.00 1.11 N ATOM 575 CA LYS A 35 -8.351 14.286 -0.633 1.00 1.13 C ATOM 576 C LYS A 35 -9.571 14.342 0.292 1.00 1.11 C ATOM 577 O LYS A 35 -10.099 15.396 0.587 1.00 1.16 O ATOM 578 CB LYS A 35 -8.646 13.383 -1.865 1.00 1.10 C ATOM 579 CG LYS A 35 -8.299 14.090 -3.221 1.00 0.97 C ATOM 580 CD LYS A 35 -7.287 13.257 -4.020 1.00 1.01 C ATOM 581 CE LYS A 35 -5.910 13.379 -3.371 1.00 1.10 C ATOM 582 NZ LYS A 35 -5.319 14.707 -3.698 1.00 1.15 N ATOM 0 H LYS A 35 -6.785 12.870 -0.222 1.00 1.11 H new ATOM 0 HA LYS A 35 -8.099 15.280 -1.003 1.00 1.13 H new ATOM 0 HB2 LYS A 35 -8.071 12.461 -1.782 1.00 1.10 H new ATOM 0 HB3 LYS A 35 -9.700 13.103 -1.863 1.00 1.10 H new ATOM 0 HG2 LYS A 35 -9.207 14.230 -3.807 1.00 0.97 H new ATOM 0 HG3 LYS A 35 -7.890 15.081 -3.026 1.00 0.97 H new ATOM 0 HD2 LYS A 35 -7.598 12.213 -4.046 1.00 1.01 H new ATOM 0 HD3 LYS A 35 -7.247 13.604 -5.053 1.00 1.01 H new ATOM 0 HE2 LYS A 35 -5.995 13.264 -2.290 1.00 1.10 H new ATOM 0 HE3 LYS A 35 -5.257 12.582 -3.727 1.00 1.10 H new ATOM 0 HZ1 LYS A 35 -4.293 14.682 -3.529 1.00 1.15 H new ATOM 0 HZ2 LYS A 35 -5.500 14.931 -4.697 1.00 1.15 H new ATOM 0 HZ3 LYS A 35 -5.751 15.437 -3.096 1.00 1.15 H new ATOM 596 N LEU A 36 -9.989 13.208 0.782 1.00 1.04 N ATOM 597 CA LEU A 36 -11.139 13.175 1.727 1.00 1.02 C ATOM 598 C LEU A 36 -10.651 13.772 3.051 1.00 1.05 C ATOM 599 O LEU A 36 -11.327 13.760 4.056 1.00 1.03 O ATOM 600 CB LEU A 36 -11.562 11.715 1.919 1.00 0.95 C ATOM 601 CG LEU A 36 -12.687 11.569 2.963 1.00 0.94 C ATOM 602 CD1 LEU A 36 -13.785 12.614 2.727 1.00 0.97 C ATOM 603 CD2 LEU A 36 -13.296 10.168 2.843 1.00 0.89 C ATOM 0 H LEU A 36 -9.581 12.298 0.567 1.00 1.04 H new ATOM 0 HA LEU A 36 -11.993 13.742 1.355 1.00 1.02 H new ATOM 0 HB2 LEU A 36 -11.898 11.307 0.966 1.00 0.95 H new ATOM 0 HB3 LEU A 36 -10.699 11.126 2.232 1.00 0.95 H new ATOM 0 HG LEU A 36 -12.268 11.720 3.958 1.00 0.94 H new ATOM 0 HD11 LEU A 36 -14.569 12.493 3.475 1.00 0.97 H new ATOM 0 HD12 LEU A 36 -13.359 13.614 2.807 1.00 0.97 H new ATOM 0 HD13 LEU A 36 -14.209 12.478 1.732 1.00 0.97 H new ATOM 0 HD21 LEU A 36 -14.093 10.054 3.577 1.00 0.89 H new ATOM 0 HD22 LEU A 36 -13.703 10.033 1.841 1.00 0.89 H new ATOM 0 HD23 LEU A 36 -12.525 9.419 3.025 1.00 0.89 H new ATOM 615 N ASN A 37 -9.453 14.288 3.027 1.00 1.11 N ATOM 616 CA ASN A 37 -8.832 14.902 4.223 1.00 1.16 C ATOM 617 C ASN A 37 -8.915 13.964 5.416 1.00 1.11 C ATOM 618 O ASN A 37 -9.669 14.160 6.346 1.00 1.12 O ATOM 619 CB ASN A 37 -9.471 16.252 4.520 1.00 1.22 C ATOM 620 CG ASN A 37 -10.890 16.099 5.078 1.00 1.19 C ATOM 621 OD1 ASN A 37 -11.843 16.009 4.330 1.00 1.16 O ATOM 622 ND2 ASN A 37 -11.075 16.088 6.370 1.00 1.21 N ATOM 0 H ASN A 37 -8.863 14.307 2.195 1.00 1.11 H new ATOM 0 HA ASN A 37 -7.775 15.074 4.019 1.00 1.16 H new ATOM 0 HB2 ASN A 37 -8.855 16.796 5.236 1.00 1.22 H new ATOM 0 HB3 ASN A 37 -9.501 16.848 3.608 1.00 1.22 H new ATOM 0 HD21 ASN A 37 -12.018 16.004 6.749 1.00 1.21 H new ATOM 0 HD22 ASN A 37 -10.277 16.163 7.000 1.00 1.21 H new ATOM 629 N LEU A 38 -8.104 12.949 5.385 1.00 1.06 N ATOM 630 CA LEU A 38 -8.057 11.956 6.505 1.00 1.02 C ATOM 631 C LEU A 38 -6.596 11.762 6.916 1.00 1.02 C ATOM 632 O LEU A 38 -5.772 12.633 6.719 1.00 1.06 O ATOM 633 CB LEU A 38 -8.656 10.626 6.038 1.00 0.98 C ATOM 634 CG LEU A 38 -10.178 10.763 5.873 1.00 0.97 C ATOM 635 CD1 LEU A 38 -10.706 9.571 5.069 1.00 0.96 C ATOM 636 CD2 LEU A 38 -10.874 10.799 7.249 1.00 1.02 C ATOM 0 H LEU A 38 -7.457 12.756 4.620 1.00 1.06 H new ATOM 0 HA LEU A 38 -8.635 12.316 7.356 1.00 1.02 H new ATOM 0 HB2 LEU A 38 -8.205 10.327 5.092 1.00 0.98 H new ATOM 0 HB3 LEU A 38 -8.430 9.842 6.761 1.00 0.98 H new ATOM 0 HG LEU A 38 -10.392 11.695 5.349 1.00 0.97 H new ATOM 0 HD11 LEU A 38 -11.785 9.663 4.949 1.00 0.96 H new ATOM 0 HD12 LEU A 38 -10.232 9.555 4.088 1.00 0.96 H new ATOM 0 HD13 LEU A 38 -10.477 8.646 5.598 1.00 0.96 H new ATOM 0 HD21 LEU A 38 -11.951 10.896 7.110 1.00 1.02 H new ATOM 0 HD22 LEU A 38 -10.660 9.877 7.789 1.00 1.02 H new ATOM 0 HD23 LEU A 38 -10.504 11.649 7.822 1.00 1.02 H new ATOM 648 N GLU A 39 -6.258 10.641 7.490 1.00 1.02 N ATOM 649 CA GLU A 39 -4.842 10.432 7.907 1.00 1.03 C ATOM 650 C GLU A 39 -4.581 8.957 8.227 1.00 0.98 C ATOM 651 O GLU A 39 -5.133 8.398 9.154 1.00 0.95 O ATOM 652 CB GLU A 39 -4.550 11.277 9.148 1.00 1.08 C ATOM 653 CG GLU A 39 -3.038 11.358 9.368 1.00 1.11 C ATOM 654 CD GLU A 39 -2.753 11.969 10.741 1.00 1.16 C ATOM 655 OE1 GLU A 39 -3.695 12.408 11.379 1.00 1.24 O ATOM 656 OE2 GLU A 39 -1.597 11.989 11.130 1.00 1.13 O ATOM 0 H GLU A 39 -6.893 9.867 7.687 1.00 1.02 H new ATOM 0 HA GLU A 39 -4.190 10.731 7.086 1.00 1.03 H new ATOM 0 HB2 GLU A 39 -4.964 12.278 9.025 1.00 1.08 H new ATOM 0 HB3 GLU A 39 -5.032 10.838 10.021 1.00 1.08 H new ATOM 0 HG2 GLU A 39 -2.597 10.364 9.302 1.00 1.11 H new ATOM 0 HG3 GLU A 39 -2.578 11.963 8.587 1.00 1.11 H new ATOM 663 N VAL A 40 -3.719 8.334 7.468 1.00 0.98 N ATOM 664 CA VAL A 40 -3.372 6.900 7.706 1.00 0.94 C ATOM 665 C VAL A 40 -2.106 6.846 8.570 1.00 0.95 C ATOM 666 O VAL A 40 -1.363 7.804 8.641 1.00 0.99 O ATOM 667 CB VAL A 40 -3.125 6.222 6.353 1.00 0.91 C ATOM 668 CG1 VAL A 40 -2.152 7.070 5.518 1.00 0.94 C ATOM 669 CG2 VAL A 40 -2.546 4.818 6.567 1.00 0.89 C ATOM 0 H VAL A 40 -3.233 8.764 6.681 1.00 0.98 H new ATOM 0 HA VAL A 40 -4.182 6.382 8.220 1.00 0.94 H new ATOM 0 HB VAL A 40 -4.072 6.135 5.820 1.00 0.91 H new ATOM 0 HG11 VAL A 40 -1.979 6.585 4.557 1.00 0.94 H new ATOM 0 HG12 VAL A 40 -2.580 8.059 5.353 1.00 0.94 H new ATOM 0 HG13 VAL A 40 -1.206 7.168 6.050 1.00 0.94 H new ATOM 0 HG21 VAL A 40 -2.374 4.344 5.601 1.00 0.89 H new ATOM 0 HG22 VAL A 40 -1.603 4.892 7.108 1.00 0.89 H new ATOM 0 HG23 VAL A 40 -3.249 4.219 7.145 1.00 0.89 H new ATOM 679 N THR A 41 -1.861 5.745 9.243 1.00 0.93 N ATOM 680 CA THR A 41 -0.645 5.651 10.121 1.00 0.95 C ATOM 681 C THR A 41 0.044 4.296 9.953 1.00 0.91 C ATOM 682 O THR A 41 1.187 4.134 10.333 1.00 0.96 O ATOM 683 CB THR A 41 -1.075 5.780 11.589 1.00 1.01 C ATOM 684 OG1 THR A 41 -2.217 6.622 11.675 1.00 1.12 O ATOM 685 CG2 THR A 41 0.064 6.374 12.427 1.00 1.20 C ATOM 0 H THR A 41 -2.447 4.910 9.224 1.00 0.93 H new ATOM 0 HA THR A 41 0.043 6.448 9.839 1.00 0.95 H new ATOM 0 HB THR A 41 -1.317 4.790 11.975 1.00 1.01 H new ATOM 0 HG1 THR A 41 -2.493 6.704 12.612 1.00 1.12 H new ATOM 0 HG21 THR A 41 -0.255 6.460 13.466 1.00 1.20 H new ATOM 0 HG22 THR A 41 0.937 5.724 12.368 1.00 1.20 H new ATOM 0 HG23 THR A 41 0.321 7.361 12.044 1.00 1.20 H new ATOM 693 N GLU A 42 -0.645 3.311 9.440 1.00 0.86 N ATOM 694 CA GLU A 42 -0.020 1.960 9.306 1.00 0.83 C ATOM 695 C GLU A 42 -0.355 1.353 7.949 1.00 0.81 C ATOM 696 O GLU A 42 -1.320 0.634 7.805 1.00 0.88 O ATOM 697 CB GLU A 42 -0.557 1.056 10.421 1.00 0.78 C ATOM 698 CG GLU A 42 0.132 1.406 11.743 1.00 0.77 C ATOM 699 CD GLU A 42 -0.405 0.503 12.854 1.00 0.78 C ATOM 700 OE1 GLU A 42 -1.603 0.528 13.084 1.00 0.84 O ATOM 701 OE2 GLU A 42 0.391 -0.198 13.456 1.00 0.83 O ATOM 0 H GLU A 42 -1.607 3.381 9.110 1.00 0.86 H new ATOM 0 HA GLU A 42 1.063 2.052 9.386 1.00 0.83 H new ATOM 0 HB2 GLU A 42 -1.635 1.182 10.517 1.00 0.78 H new ATOM 0 HB3 GLU A 42 -0.379 0.010 10.172 1.00 0.78 H new ATOM 0 HG2 GLU A 42 1.211 1.280 11.647 1.00 0.77 H new ATOM 0 HG3 GLU A 42 -0.046 2.452 11.992 1.00 0.77 H new ATOM 708 N LEU A 43 0.455 1.602 6.955 1.00 0.80 N ATOM 709 CA LEU A 43 0.181 1.000 5.627 1.00 0.78 C ATOM 710 C LEU A 43 0.101 -0.517 5.833 1.00 0.74 C ATOM 711 O LEU A 43 -0.785 -1.189 5.349 1.00 0.70 O ATOM 712 CB LEU A 43 1.330 1.374 4.667 1.00 0.86 C ATOM 713 CG LEU A 43 0.975 1.117 3.183 1.00 0.83 C ATOM 714 CD1 LEU A 43 0.414 -0.290 2.970 1.00 0.85 C ATOM 715 CD2 LEU A 43 -0.057 2.149 2.697 1.00 0.90 C ATOM 0 H LEU A 43 1.286 2.191 7.008 1.00 0.80 H new ATOM 0 HA LEU A 43 -0.751 1.363 5.194 1.00 0.78 H new ATOM 0 HB2 LEU A 43 1.581 2.426 4.799 1.00 0.86 H new ATOM 0 HB3 LEU A 43 2.218 0.799 4.929 1.00 0.86 H new ATOM 0 HG LEU A 43 1.896 1.211 2.609 1.00 0.83 H new ATOM 0 HD11 LEU A 43 0.177 -0.431 1.916 1.00 0.85 H new ATOM 0 HD12 LEU A 43 1.155 -1.028 3.277 1.00 0.85 H new ATOM 0 HD13 LEU A 43 -0.491 -0.415 3.565 1.00 0.85 H new ATOM 0 HD21 LEU A 43 -0.298 1.957 1.651 1.00 0.90 H new ATOM 0 HD22 LEU A 43 -0.962 2.070 3.299 1.00 0.90 H new ATOM 0 HD23 LEU A 43 0.357 3.152 2.796 1.00 0.90 H new ATOM 727 N GLU A 44 1.028 -1.060 6.562 1.00 0.79 N ATOM 728 CA GLU A 44 1.023 -2.536 6.805 1.00 0.77 C ATOM 729 C GLU A 44 -0.397 -3.061 7.133 1.00 0.69 C ATOM 730 O GLU A 44 -0.959 -3.895 6.438 1.00 0.70 O ATOM 731 CB GLU A 44 1.961 -2.857 7.997 1.00 0.83 C ATOM 732 CG GLU A 44 2.831 -1.648 8.330 1.00 0.84 C ATOM 733 CD GLU A 44 3.783 -2.002 9.473 1.00 0.99 C ATOM 734 OE1 GLU A 44 3.458 -2.900 10.231 1.00 1.11 O ATOM 735 OE2 GLU A 44 4.819 -1.366 9.573 1.00 1.14 O ATOM 0 H GLU A 44 1.793 -0.551 7.004 1.00 0.79 H new ATOM 0 HA GLU A 44 1.366 -3.027 5.894 1.00 0.77 H new ATOM 0 HB2 GLU A 44 1.369 -3.138 8.868 1.00 0.83 H new ATOM 0 HB3 GLU A 44 2.592 -3.711 7.751 1.00 0.83 H new ATOM 0 HG2 GLU A 44 3.399 -1.343 7.451 1.00 0.84 H new ATOM 0 HG3 GLU A 44 2.204 -0.803 8.614 1.00 0.84 H new ATOM 742 N THR A 45 -0.959 -2.603 8.209 1.00 0.65 N ATOM 743 CA THR A 45 -2.304 -3.098 8.622 1.00 0.60 C ATOM 744 C THR A 45 -3.411 -2.447 7.794 1.00 0.58 C ATOM 745 O THR A 45 -4.574 -2.746 7.967 1.00 0.58 O ATOM 746 CB THR A 45 -2.517 -2.791 10.116 1.00 0.65 C ATOM 747 OG1 THR A 45 -3.565 -3.610 10.615 1.00 0.84 O ATOM 748 CG2 THR A 45 -2.888 -1.310 10.322 1.00 0.64 C ATOM 0 H THR A 45 -0.547 -1.904 8.827 1.00 0.65 H new ATOM 0 HA THR A 45 -2.348 -4.174 8.452 1.00 0.60 H new ATOM 0 HB THR A 45 -1.590 -2.996 10.651 1.00 0.65 H new ATOM 0 HG1 THR A 45 -3.704 -3.420 11.566 1.00 0.84 H new ATOM 0 HG21 THR A 45 -3.034 -1.116 11.385 1.00 0.64 H new ATOM 0 HG22 THR A 45 -2.084 -0.678 9.944 1.00 0.64 H new ATOM 0 HG23 THR A 45 -3.809 -1.087 9.783 1.00 0.64 H new ATOM 756 N GLN A 46 -3.079 -1.572 6.891 1.00 0.59 N ATOM 757 CA GLN A 46 -4.148 -0.944 6.081 1.00 0.59 C ATOM 758 C GLN A 46 -4.600 -1.956 5.047 1.00 0.54 C ATOM 759 O GLN A 46 -5.662 -1.841 4.467 1.00 0.58 O ATOM 760 CB GLN A 46 -3.636 0.322 5.397 1.00 0.65 C ATOM 761 CG GLN A 46 -3.598 1.487 6.419 1.00 0.66 C ATOM 762 CD GLN A 46 -4.846 2.368 6.276 1.00 0.78 C ATOM 763 OE1 GLN A 46 -5.068 2.964 5.242 1.00 0.81 O ATOM 764 NE2 GLN A 46 -5.670 2.474 7.282 1.00 1.04 N ATOM 0 H GLN A 46 -2.128 -1.269 6.682 1.00 0.59 H new ATOM 0 HA GLN A 46 -4.981 -0.655 6.721 1.00 0.59 H new ATOM 0 HB2 GLN A 46 -2.640 0.150 4.990 1.00 0.65 H new ATOM 0 HB3 GLN A 46 -4.283 0.581 4.559 1.00 0.65 H new ATOM 0 HG2 GLN A 46 -3.541 1.088 7.432 1.00 0.66 H new ATOM 0 HG3 GLN A 46 -2.702 2.087 6.262 1.00 0.66 H new ATOM 0 HE21 GLN A 46 -5.482 1.973 8.150 1.00 1.04 H new ATOM 0 HE22 GLN A 46 -6.502 3.058 7.200 1.00 1.04 H new ATOM 773 N PHE A 47 -3.809 -2.979 4.838 1.00 0.50 N ATOM 774 CA PHE A 47 -4.191 -4.031 3.883 1.00 0.49 C ATOM 775 C PHE A 47 -4.835 -5.119 4.704 1.00 0.46 C ATOM 776 O PHE A 47 -5.559 -5.960 4.210 1.00 0.49 O ATOM 777 CB PHE A 47 -2.950 -4.558 3.173 1.00 0.54 C ATOM 778 CG PHE A 47 -2.617 -3.661 1.999 1.00 0.63 C ATOM 779 CD1 PHE A 47 -2.330 -2.308 2.215 1.00 0.75 C ATOM 780 CD2 PHE A 47 -2.598 -4.178 0.698 1.00 0.71 C ATOM 781 CE1 PHE A 47 -2.024 -1.474 1.133 1.00 0.87 C ATOM 782 CE2 PHE A 47 -2.291 -3.345 -0.384 1.00 0.83 C ATOM 783 CZ PHE A 47 -2.004 -1.992 -0.167 1.00 0.89 C ATOM 0 H PHE A 47 -2.910 -3.120 5.298 1.00 0.50 H new ATOM 0 HA PHE A 47 -4.872 -3.660 3.117 1.00 0.49 H new ATOM 0 HB2 PHE A 47 -2.110 -4.594 3.866 1.00 0.54 H new ATOM 0 HB3 PHE A 47 -3.122 -5.577 2.828 1.00 0.54 H new ATOM 0 HD1 PHE A 47 -2.345 -1.907 3.218 1.00 0.75 H new ATOM 0 HD2 PHE A 47 -2.821 -5.221 0.529 1.00 0.71 H new ATOM 0 HE1 PHE A 47 -1.803 -0.430 1.302 1.00 0.87 H new ATOM 0 HE2 PHE A 47 -2.275 -3.746 -1.387 1.00 0.83 H new ATOM 0 HZ PHE A 47 -1.767 -1.349 -1.002 1.00 0.89 H new ATOM 793 N ALA A 48 -4.613 -5.060 5.981 1.00 0.42 N ATOM 794 CA ALA A 48 -5.247 -6.044 6.893 1.00 0.40 C ATOM 795 C ALA A 48 -6.729 -5.715 6.945 1.00 0.36 C ATOM 796 O ALA A 48 -7.403 -5.932 7.933 1.00 0.36 O ATOM 797 CB ALA A 48 -4.635 -5.948 8.293 1.00 0.42 C ATOM 0 H ALA A 48 -4.016 -4.369 6.436 1.00 0.42 H new ATOM 0 HA ALA A 48 -5.087 -7.060 6.533 1.00 0.40 H new ATOM 0 HB1 ALA A 48 -5.111 -6.676 8.949 1.00 0.42 H new ATOM 0 HB2 ALA A 48 -3.566 -6.154 8.238 1.00 0.42 H new ATOM 0 HB3 ALA A 48 -4.791 -4.945 8.690 1.00 0.42 H new ATOM 803 N ASP A 49 -7.224 -5.168 5.874 1.00 0.34 N ATOM 804 CA ASP A 49 -8.646 -4.782 5.813 1.00 0.32 C ATOM 805 C ASP A 49 -9.004 -4.348 4.389 1.00 0.31 C ATOM 806 O ASP A 49 -10.158 -4.254 4.036 1.00 0.31 O ATOM 807 CB ASP A 49 -8.845 -3.604 6.756 1.00 0.32 C ATOM 808 CG ASP A 49 -7.991 -2.424 6.285 1.00 0.33 C ATOM 809 OD1 ASP A 49 -8.340 -1.829 5.281 1.00 0.36 O ATOM 810 OD2 ASP A 49 -7.001 -2.138 6.938 1.00 0.34 O ATOM 0 H ASP A 49 -6.690 -4.971 5.028 1.00 0.34 H new ATOM 0 HA ASP A 49 -9.279 -5.622 6.097 1.00 0.32 H new ATOM 0 HB2 ASP A 49 -9.897 -3.318 6.782 1.00 0.32 H new ATOM 0 HB3 ASP A 49 -8.566 -3.886 7.771 1.00 0.32 H new ATOM 815 N GLY A 50 -8.026 -4.082 3.565 1.00 0.32 N ATOM 816 CA GLY A 50 -8.329 -3.638 2.169 1.00 0.33 C ATOM 817 C GLY A 50 -9.407 -2.531 2.176 1.00 0.33 C ATOM 818 O GLY A 50 -9.932 -2.154 1.141 1.00 0.34 O ATOM 0 H GLY A 50 -7.035 -4.152 3.794 1.00 0.32 H new ATOM 0 HA2 GLY A 50 -7.421 -3.267 1.694 1.00 0.33 H new ATOM 0 HA3 GLY A 50 -8.674 -4.486 1.578 1.00 0.33 H new ATOM 822 N VAL A 51 -9.745 -2.004 3.327 1.00 0.33 N ATOM 823 CA VAL A 51 -10.786 -0.931 3.378 1.00 0.36 C ATOM 824 C VAL A 51 -10.180 0.385 2.895 1.00 0.40 C ATOM 825 O VAL A 51 -10.596 0.951 1.903 1.00 0.42 O ATOM 826 CB VAL A 51 -11.243 -0.743 4.833 1.00 0.37 C ATOM 827 CG1 VAL A 51 -12.094 0.533 4.958 1.00 0.43 C ATOM 828 CG2 VAL A 51 -12.066 -1.962 5.314 1.00 0.36 C ATOM 0 H VAL A 51 -9.348 -2.268 4.229 1.00 0.33 H new ATOM 0 HA VAL A 51 -11.628 -1.213 2.746 1.00 0.36 H new ATOM 0 HB VAL A 51 -10.355 -0.652 5.459 1.00 0.37 H new ATOM 0 HG11 VAL A 51 -12.413 0.658 5.993 1.00 0.43 H new ATOM 0 HG12 VAL A 51 -11.502 1.396 4.654 1.00 0.43 H new ATOM 0 HG13 VAL A 51 -12.971 0.450 4.315 1.00 0.43 H new ATOM 0 HG21 VAL A 51 -12.378 -1.806 6.347 1.00 0.36 H new ATOM 0 HG22 VAL A 51 -12.947 -2.079 4.682 1.00 0.36 H new ATOM 0 HG23 VAL A 51 -11.454 -2.862 5.252 1.00 0.36 H new ATOM 838 N TYR A 52 -9.194 0.872 3.593 1.00 0.41 N ATOM 839 CA TYR A 52 -8.559 2.145 3.180 1.00 0.47 C ATOM 840 C TYR A 52 -8.085 1.993 1.744 1.00 0.47 C ATOM 841 O TYR A 52 -7.776 2.954 1.069 1.00 0.51 O ATOM 842 CB TYR A 52 -7.368 2.443 4.094 1.00 0.49 C ATOM 843 CG TYR A 52 -7.857 2.621 5.512 1.00 0.51 C ATOM 844 CD1 TYR A 52 -7.989 1.508 6.353 1.00 0.57 C ATOM 845 CD2 TYR A 52 -8.181 3.898 5.986 1.00 0.48 C ATOM 846 CE1 TYR A 52 -8.443 1.674 7.667 1.00 0.60 C ATOM 847 CE2 TYR A 52 -8.636 4.063 7.300 1.00 0.51 C ATOM 848 CZ TYR A 52 -8.767 2.951 8.141 1.00 0.57 C ATOM 849 OH TYR A 52 -9.215 3.113 9.436 1.00 0.60 O ATOM 0 H TYR A 52 -8.803 0.441 4.431 1.00 0.41 H new ATOM 0 HA TYR A 52 -9.270 2.968 3.254 1.00 0.47 H new ATOM 0 HB2 TYR A 52 -6.646 1.628 4.046 1.00 0.49 H new ATOM 0 HB3 TYR A 52 -6.855 3.344 3.759 1.00 0.49 H new ATOM 0 HD1 TYR A 52 -7.741 0.522 5.988 1.00 0.57 H new ATOM 0 HD2 TYR A 52 -8.080 4.756 5.338 1.00 0.48 H new ATOM 0 HE1 TYR A 52 -8.543 0.816 8.316 1.00 0.60 H new ATOM 0 HE2 TYR A 52 -8.886 5.048 7.665 1.00 0.51 H new ATOM 0 HH TYR A 52 -9.394 4.062 9.604 1.00 0.60 H new ATOM 859 N LEU A 53 -8.036 0.781 1.267 1.00 0.43 N ATOM 860 CA LEU A 53 -7.582 0.562 -0.135 1.00 0.44 C ATOM 861 C LEU A 53 -8.685 0.997 -1.102 1.00 0.45 C ATOM 862 O LEU A 53 -8.487 1.883 -1.910 1.00 0.50 O ATOM 863 CB LEU A 53 -7.236 -0.918 -0.358 1.00 0.41 C ATOM 864 CG LEU A 53 -5.797 -1.192 0.106 1.00 0.44 C ATOM 865 CD1 LEU A 53 -5.660 -0.820 1.591 1.00 0.44 C ATOM 866 CD2 LEU A 53 -5.438 -2.684 -0.119 1.00 0.46 C ATOM 0 H LEU A 53 -8.289 -0.062 1.782 1.00 0.43 H new ATOM 0 HA LEU A 53 -6.687 1.157 -0.318 1.00 0.44 H new ATOM 0 HB2 LEU A 53 -7.932 -1.551 0.193 1.00 0.41 H new ATOM 0 HB3 LEU A 53 -7.342 -1.171 -1.413 1.00 0.41 H new ATOM 0 HG LEU A 53 -5.105 -0.584 -0.477 1.00 0.44 H new ATOM 0 HD11 LEU A 53 -4.640 -1.014 1.922 1.00 0.44 H new ATOM 0 HD12 LEU A 53 -5.890 0.237 1.724 1.00 0.44 H new ATOM 0 HD13 LEU A 53 -6.353 -1.419 2.182 1.00 0.44 H new ATOM 0 HD21 LEU A 53 -4.416 -2.866 0.213 1.00 0.46 H new ATOM 0 HD22 LEU A 53 -6.123 -3.313 0.450 1.00 0.46 H new ATOM 0 HD23 LEU A 53 -5.523 -2.923 -1.179 1.00 0.46 H new ATOM 878 N VAL A 54 -9.845 0.397 -1.043 1.00 0.43 N ATOM 879 CA VAL A 54 -10.917 0.822 -1.987 1.00 0.46 C ATOM 880 C VAL A 54 -11.135 2.333 -1.859 1.00 0.51 C ATOM 881 O VAL A 54 -11.529 3.000 -2.802 1.00 0.55 O ATOM 882 CB VAL A 54 -12.219 0.087 -1.665 1.00 0.44 C ATOM 883 CG1 VAL A 54 -13.233 0.316 -2.798 1.00 0.49 C ATOM 884 CG2 VAL A 54 -11.928 -1.412 -1.524 1.00 0.41 C ATOM 0 H VAL A 54 -10.092 -0.352 -0.397 1.00 0.43 H new ATOM 0 HA VAL A 54 -10.616 0.580 -3.006 1.00 0.46 H new ATOM 0 HB VAL A 54 -12.635 0.467 -0.732 1.00 0.44 H new ATOM 0 HG11 VAL A 54 -14.161 -0.208 -2.568 1.00 0.49 H new ATOM 0 HG12 VAL A 54 -13.434 1.383 -2.896 1.00 0.49 H new ATOM 0 HG13 VAL A 54 -12.824 -0.064 -3.734 1.00 0.49 H new ATOM 0 HG21 VAL A 54 -12.852 -1.942 -1.294 1.00 0.41 H new ATOM 0 HG22 VAL A 54 -11.514 -1.792 -2.458 1.00 0.41 H new ATOM 0 HG23 VAL A 54 -11.210 -1.569 -0.719 1.00 0.41 H new ATOM 894 N LEU A 55 -10.883 2.885 -0.704 1.00 0.52 N ATOM 895 CA LEU A 55 -11.083 4.350 -0.536 1.00 0.58 C ATOM 896 C LEU A 55 -10.024 5.097 -1.355 1.00 0.62 C ATOM 897 O LEU A 55 -10.344 5.855 -2.244 1.00 0.66 O ATOM 898 CB LEU A 55 -10.950 4.715 0.956 1.00 0.59 C ATOM 899 CG LEU A 55 -12.307 4.594 1.683 1.00 0.60 C ATOM 900 CD1 LEU A 55 -13.233 5.767 1.309 1.00 0.58 C ATOM 901 CD2 LEU A 55 -12.986 3.261 1.323 1.00 0.67 C ATOM 0 H LEU A 55 -10.550 2.390 0.123 1.00 0.52 H new ATOM 0 HA LEU A 55 -12.076 4.634 -0.885 1.00 0.58 H new ATOM 0 HB2 LEU A 55 -10.220 4.058 1.430 1.00 0.59 H new ATOM 0 HB3 LEU A 55 -10.572 5.733 1.052 1.00 0.59 H new ATOM 0 HG LEU A 55 -12.122 4.624 2.757 1.00 0.60 H new ATOM 0 HD11 LEU A 55 -14.183 5.662 1.832 1.00 0.58 H new ATOM 0 HD12 LEU A 55 -12.763 6.708 1.596 1.00 0.58 H new ATOM 0 HD13 LEU A 55 -13.409 5.763 0.233 1.00 0.58 H new ATOM 0 HD21 LEU A 55 -13.942 3.188 1.842 1.00 0.67 H new ATOM 0 HD22 LEU A 55 -13.153 3.217 0.247 1.00 0.67 H new ATOM 0 HD23 LEU A 55 -12.345 2.433 1.625 1.00 0.67 H new ATOM 913 N LEU A 56 -8.766 4.888 -1.069 1.00 0.62 N ATOM 914 CA LEU A 56 -7.705 5.601 -1.839 1.00 0.66 C ATOM 915 C LEU A 56 -7.992 5.473 -3.342 1.00 0.67 C ATOM 916 O LEU A 56 -7.723 6.370 -4.114 1.00 0.72 O ATOM 917 CB LEU A 56 -6.315 5.019 -1.463 1.00 0.65 C ATOM 918 CG LEU A 56 -5.833 3.951 -2.475 1.00 0.69 C ATOM 919 CD1 LEU A 56 -5.313 4.615 -3.782 1.00 0.72 C ATOM 920 CD2 LEU A 56 -4.709 3.121 -1.830 1.00 0.66 C ATOM 0 H LEU A 56 -8.429 4.259 -0.340 1.00 0.62 H new ATOM 0 HA LEU A 56 -7.702 6.662 -1.589 1.00 0.66 H new ATOM 0 HB2 LEU A 56 -5.585 5.828 -1.416 1.00 0.65 H new ATOM 0 HB3 LEU A 56 -6.366 4.577 -0.468 1.00 0.65 H new ATOM 0 HG LEU A 56 -6.673 3.307 -2.734 1.00 0.69 H new ATOM 0 HD11 LEU A 56 -4.981 3.842 -4.475 1.00 0.72 H new ATOM 0 HD12 LEU A 56 -6.115 5.193 -4.240 1.00 0.72 H new ATOM 0 HD13 LEU A 56 -4.478 5.275 -3.547 1.00 0.72 H new ATOM 0 HD21 LEU A 56 -4.363 2.366 -2.536 1.00 0.66 H new ATOM 0 HD22 LEU A 56 -3.879 3.776 -1.564 1.00 0.66 H new ATOM 0 HD23 LEU A 56 -5.087 2.632 -0.932 1.00 0.66 H new ATOM 932 N MET A 57 -8.533 4.364 -3.756 1.00 0.62 N ATOM 933 CA MET A 57 -8.833 4.174 -5.206 1.00 0.63 C ATOM 934 C MET A 57 -9.809 5.252 -5.684 1.00 0.68 C ATOM 935 O MET A 57 -9.575 5.926 -6.670 1.00 0.72 O ATOM 936 CB MET A 57 -9.467 2.796 -5.424 1.00 0.58 C ATOM 937 CG MET A 57 -8.466 1.694 -5.070 1.00 0.55 C ATOM 938 SD MET A 57 -7.324 1.448 -6.452 1.00 0.60 S ATOM 939 CE MET A 57 -6.409 0.057 -5.744 1.00 0.57 C ATOM 0 H MET A 57 -8.782 3.578 -3.155 1.00 0.62 H new ATOM 0 HA MET A 57 -7.904 4.248 -5.771 1.00 0.63 H new ATOM 0 HB2 MET A 57 -10.361 2.697 -4.808 1.00 0.58 H new ATOM 0 HB3 MET A 57 -9.782 2.692 -6.462 1.00 0.58 H new ATOM 0 HG2 MET A 57 -7.913 1.966 -4.171 1.00 0.55 H new ATOM 0 HG3 MET A 57 -8.994 0.766 -4.851 1.00 0.55 H new ATOM 0 HE1 MET A 57 -6.108 -0.624 -6.540 1.00 0.57 H new ATOM 0 HE2 MET A 57 -5.522 0.429 -5.230 1.00 0.57 H new ATOM 0 HE3 MET A 57 -7.044 -0.473 -5.034 1.00 0.57 H new ATOM 949 N GLY A 58 -10.915 5.411 -5.011 1.00 0.67 N ATOM 950 CA GLY A 58 -11.904 6.433 -5.459 1.00 0.73 C ATOM 951 C GLY A 58 -11.325 7.840 -5.335 1.00 0.79 C ATOM 952 O GLY A 58 -11.507 8.671 -6.202 1.00 0.84 O ATOM 0 H GLY A 58 -11.176 4.883 -4.178 1.00 0.67 H new ATOM 0 HA2 GLY A 58 -12.188 6.242 -6.494 1.00 0.73 H new ATOM 0 HA3 GLY A 58 -12.811 6.354 -4.860 1.00 0.73 H new ATOM 956 N LEU A 59 -10.633 8.119 -4.275 1.00 0.79 N ATOM 957 CA LEU A 59 -10.051 9.478 -4.115 1.00 0.86 C ATOM 958 C LEU A 59 -9.027 9.694 -5.219 1.00 0.88 C ATOM 959 O LEU A 59 -8.667 10.806 -5.547 1.00 0.94 O ATOM 960 CB LEU A 59 -9.410 9.606 -2.728 1.00 0.86 C ATOM 961 CG LEU A 59 -10.407 9.092 -1.674 1.00 0.82 C ATOM 962 CD1 LEU A 59 -9.755 9.098 -0.298 1.00 0.82 C ATOM 963 CD2 LEU A 59 -11.651 9.988 -1.650 1.00 0.87 C ATOM 0 H LEU A 59 -10.443 7.469 -3.512 1.00 0.79 H new ATOM 0 HA LEU A 59 -10.826 10.240 -4.194 1.00 0.86 H new ATOM 0 HB2 LEU A 59 -8.485 9.031 -2.685 1.00 0.86 H new ATOM 0 HB3 LEU A 59 -9.149 10.645 -2.527 1.00 0.86 H new ATOM 0 HG LEU A 59 -10.699 8.074 -1.933 1.00 0.82 H new ATOM 0 HD11 LEU A 59 -10.466 8.733 0.443 1.00 0.82 H new ATOM 0 HD12 LEU A 59 -8.878 8.451 -0.308 1.00 0.82 H new ATOM 0 HD13 LEU A 59 -9.454 10.114 -0.042 1.00 0.82 H new ATOM 0 HD21 LEU A 59 -12.352 9.618 -0.902 1.00 0.87 H new ATOM 0 HD22 LEU A 59 -11.360 11.008 -1.401 1.00 0.87 H new ATOM 0 HD23 LEU A 59 -12.127 9.976 -2.630 1.00 0.87 H new ATOM 975 N LEU A 60 -8.586 8.632 -5.820 1.00 0.84 N ATOM 976 CA LEU A 60 -7.610 8.760 -6.938 1.00 0.87 C ATOM 977 C LEU A 60 -8.361 9.297 -8.153 1.00 0.91 C ATOM 978 O LEU A 60 -8.028 10.330 -8.698 1.00 0.96 O ATOM 979 CB LEU A 60 -7.011 7.386 -7.267 1.00 0.82 C ATOM 980 CG LEU A 60 -5.748 7.550 -8.129 1.00 0.87 C ATOM 981 CD1 LEU A 60 -5.038 6.197 -8.249 1.00 0.83 C ATOM 982 CD2 LEU A 60 -6.118 8.067 -9.534 1.00 0.91 C ATOM 0 H LEU A 60 -8.857 7.677 -5.588 1.00 0.84 H new ATOM 0 HA LEU A 60 -6.800 9.434 -6.660 1.00 0.87 H new ATOM 0 HB2 LEU A 60 -6.765 6.858 -6.346 1.00 0.82 H new ATOM 0 HB3 LEU A 60 -7.745 6.778 -7.796 1.00 0.82 H new ATOM 0 HG LEU A 60 -5.086 8.274 -7.654 1.00 0.87 H new ATOM 0 HD11 LEU A 60 -4.142 6.309 -8.859 1.00 0.83 H new ATOM 0 HD12 LEU A 60 -4.759 5.843 -7.256 1.00 0.83 H new ATOM 0 HD13 LEU A 60 -5.707 5.475 -8.717 1.00 0.83 H new ATOM 0 HD21 LEU A 60 -5.213 8.178 -10.131 1.00 0.91 H new ATOM 0 HD22 LEU A 60 -6.788 7.356 -10.018 1.00 0.91 H new ATOM 0 HD23 LEU A 60 -6.615 9.033 -9.447 1.00 0.91 H new ATOM 994 N GLU A 61 -9.385 8.605 -8.571 1.00 0.87 N ATOM 995 CA GLU A 61 -10.172 9.079 -9.742 1.00 0.91 C ATOM 996 C GLU A 61 -10.953 10.335 -9.346 1.00 0.96 C ATOM 997 O GLU A 61 -11.497 11.029 -10.181 1.00 1.00 O ATOM 998 CB GLU A 61 -11.148 7.985 -10.182 1.00 0.86 C ATOM 999 CG GLU A 61 -10.371 6.711 -10.515 1.00 0.82 C ATOM 1000 CD GLU A 61 -11.295 5.717 -11.222 1.00 0.77 C ATOM 1001 OE1 GLU A 61 -11.968 6.124 -12.155 1.00 0.77 O ATOM 1002 OE2 GLU A 61 -11.313 4.566 -10.819 1.00 0.74 O ATOM 0 H GLU A 61 -9.710 7.733 -8.152 1.00 0.87 H new ATOM 0 HA GLU A 61 -9.498 9.311 -10.567 1.00 0.91 H new ATOM 0 HB2 GLU A 61 -11.870 7.787 -9.390 1.00 0.86 H new ATOM 0 HB3 GLU A 61 -11.714 8.316 -11.053 1.00 0.86 H new ATOM 0 HG2 GLU A 61 -9.519 6.948 -11.153 1.00 0.82 H new ATOM 0 HG3 GLU A 61 -9.972 6.267 -9.603 1.00 0.82 H new ATOM 1009 N GLY A 62 -11.009 10.634 -8.074 1.00 0.95 N ATOM 1010 CA GLY A 62 -11.751 11.847 -7.618 1.00 1.01 C ATOM 1011 C GLY A 62 -13.227 11.505 -7.420 1.00 1.00 C ATOM 1012 O GLY A 62 -14.070 11.856 -8.222 1.00 1.03 O ATOM 0 H GLY A 62 -10.572 10.090 -7.330 1.00 0.95 H new ATOM 0 HA2 GLY A 62 -11.325 12.216 -6.685 1.00 1.01 H new ATOM 0 HA3 GLY A 62 -11.648 12.645 -8.353 1.00 1.01 H new ATOM 1207 N PRO A 74 -14.335 -6.125 6.777 1.00 0.42 N ATOM 1208 CA PRO A 74 -13.531 -7.326 7.089 1.00 0.35 C ATOM 1209 C PRO A 74 -14.072 -8.031 8.341 1.00 0.35 C ATOM 1210 O PRO A 74 -14.377 -7.399 9.333 1.00 0.40 O ATOM 1211 CB PRO A 74 -12.098 -6.787 7.315 1.00 0.37 C ATOM 1212 CG PRO A 74 -12.070 -5.329 6.785 1.00 0.45 C ATOM 1213 CD PRO A 74 -13.536 -4.892 6.567 1.00 0.47 C ATOM 0 HA PRO A 74 -13.563 -8.070 6.293 1.00 0.35 H new ATOM 0 HB2 PRO A 74 -11.838 -6.817 8.373 1.00 0.37 H new ATOM 0 HB3 PRO A 74 -11.368 -7.402 6.789 1.00 0.37 H new ATOM 0 HG2 PRO A 74 -11.574 -4.670 7.498 1.00 0.45 H new ATOM 0 HG3 PRO A 74 -11.508 -5.270 5.853 1.00 0.45 H new ATOM 0 HD2 PRO A 74 -13.824 -4.110 7.269 1.00 0.47 H new ATOM 0 HD3 PRO A 74 -13.684 -4.491 5.564 1.00 0.47 H new ATOM 1221 N ASP A 75 -14.188 -9.343 8.296 1.00 0.34 N ATOM 1222 CA ASP A 75 -14.706 -10.108 9.481 1.00 0.38 C ATOM 1223 C ASP A 75 -13.625 -11.072 9.990 1.00 0.36 C ATOM 1224 O ASP A 75 -13.397 -11.204 11.176 1.00 0.36 O ATOM 1225 CB ASP A 75 -15.951 -10.909 9.040 1.00 0.46 C ATOM 1226 CG ASP A 75 -17.012 -10.907 10.148 1.00 0.82 C ATOM 1227 OD1 ASP A 75 -17.767 -9.951 10.216 1.00 0.82 O ATOM 1228 OD2 ASP A 75 -17.049 -11.861 10.907 1.00 1.34 O ATOM 0 H ASP A 75 -13.946 -9.916 7.488 1.00 0.34 H new ATOM 0 HA ASP A 75 -14.969 -9.419 10.284 1.00 0.38 H new ATOM 0 HB2 ASP A 75 -16.366 -10.475 8.130 1.00 0.46 H new ATOM 0 HB3 ASP A 75 -15.666 -11.934 8.803 1.00 0.46 H new ATOM 1233 N SER A 76 -12.988 -11.762 9.089 1.00 0.38 N ATOM 1234 CA SER A 76 -11.937 -12.758 9.467 1.00 0.41 C ATOM 1235 C SER A 76 -10.718 -12.605 8.561 1.00 0.39 C ATOM 1236 O SER A 76 -10.548 -11.628 7.874 1.00 0.37 O ATOM 1237 CB SER A 76 -12.498 -14.168 9.307 1.00 0.51 C ATOM 1238 OG SER A 76 -13.131 -14.280 8.039 1.00 0.54 O ATOM 0 H SER A 76 -13.151 -11.679 8.086 1.00 0.38 H new ATOM 0 HA SER A 76 -11.642 -12.586 10.502 1.00 0.41 H new ATOM 0 HB2 SER A 76 -11.697 -14.902 9.393 1.00 0.51 H new ATOM 0 HB3 SER A 76 -13.212 -14.380 10.103 1.00 0.51 H new ATOM 0 HG SER A 76 -13.491 -15.185 7.932 1.00 0.54 H new ATOM 1244 N PHE A 77 -9.851 -13.562 8.577 1.00 0.42 N ATOM 1245 CA PHE A 77 -8.642 -13.481 7.727 1.00 0.44 C ATOM 1246 C PHE A 77 -9.018 -13.685 6.282 1.00 0.48 C ATOM 1247 O PHE A 77 -8.756 -12.866 5.447 1.00 0.49 O ATOM 1248 CB PHE A 77 -7.677 -14.583 8.160 1.00 0.50 C ATOM 1249 CG PHE A 77 -6.458 -14.640 7.256 1.00 0.59 C ATOM 1250 CD1 PHE A 77 -5.689 -13.490 7.027 1.00 0.63 C ATOM 1251 CD2 PHE A 77 -6.085 -15.856 6.664 1.00 0.74 C ATOM 1252 CE1 PHE A 77 -4.548 -13.559 6.206 1.00 0.80 C ATOM 1253 CE2 PHE A 77 -4.954 -15.921 5.845 1.00 0.87 C ATOM 1254 CZ PHE A 77 -4.186 -14.775 5.618 1.00 0.90 C ATOM 0 H PHE A 77 -9.926 -14.405 9.146 1.00 0.42 H new ATOM 0 HA PHE A 77 -8.175 -12.502 7.836 1.00 0.44 H new ATOM 0 HB2 PHE A 77 -7.361 -14.408 9.188 1.00 0.50 H new ATOM 0 HB3 PHE A 77 -8.190 -15.545 8.143 1.00 0.50 H new ATOM 0 HD1 PHE A 77 -5.972 -12.552 7.481 1.00 0.63 H new ATOM 0 HD2 PHE A 77 -6.673 -16.744 6.841 1.00 0.74 H new ATOM 0 HE1 PHE A 77 -3.953 -12.675 6.030 1.00 0.80 H new ATOM 0 HE2 PHE A 77 -4.673 -16.858 5.387 1.00 0.87 H new ATOM 0 HZ PHE A 77 -3.311 -14.829 4.987 1.00 0.90 H new ATOM 1264 N GLU A 78 -9.619 -14.771 5.989 1.00 0.51 N ATOM 1265 CA GLU A 78 -10.009 -15.054 4.580 1.00 0.56 C ATOM 1266 C GLU A 78 -10.661 -13.819 3.942 1.00 0.53 C ATOM 1267 O GLU A 78 -10.360 -13.478 2.815 1.00 0.59 O ATOM 1268 CB GLU A 78 -10.978 -16.261 4.565 1.00 0.63 C ATOM 1269 CG GLU A 78 -10.431 -17.384 3.673 1.00 1.05 C ATOM 1270 CD GLU A 78 -11.471 -18.499 3.555 1.00 1.14 C ATOM 1271 OE1 GLU A 78 -12.468 -18.284 2.885 1.00 1.45 O ATOM 1272 OE2 GLU A 78 -11.253 -19.550 4.135 1.00 1.04 O ATOM 0 H GLU A 78 -9.868 -15.496 6.661 1.00 0.51 H new ATOM 0 HA GLU A 78 -9.122 -15.295 3.994 1.00 0.56 H new ATOM 0 HB2 GLU A 78 -11.120 -16.632 5.580 1.00 0.63 H new ATOM 0 HB3 GLU A 78 -11.956 -15.945 4.202 1.00 0.63 H new ATOM 0 HG2 GLU A 78 -10.190 -16.992 2.685 1.00 1.05 H new ATOM 0 HG3 GLU A 78 -9.506 -17.779 4.094 1.00 1.05 H new ATOM 1279 N GLN A 79 -11.533 -13.135 4.630 1.00 0.46 N ATOM 1280 CA GLN A 79 -12.152 -11.942 3.990 1.00 0.45 C ATOM 1281 C GLN A 79 -11.072 -10.906 3.733 1.00 0.40 C ATOM 1282 O GLN A 79 -11.097 -10.205 2.750 1.00 0.41 O ATOM 1283 CB GLN A 79 -13.270 -11.341 4.846 1.00 0.49 C ATOM 1284 CG GLN A 79 -12.868 -11.269 6.300 1.00 0.49 C ATOM 1285 CD GLN A 79 -12.075 -9.994 6.571 1.00 0.46 C ATOM 1286 OE1 GLN A 79 -11.841 -9.627 7.802 1.00 0.47 O flip ATOM 1287 NE2 GLN A 79 -11.677 -9.313 5.651 1.00 0.45 N flip ATOM 0 H GLN A 79 -11.837 -13.342 5.581 1.00 0.46 H new ATOM 0 HA GLN A 79 -12.607 -12.255 3.050 1.00 0.45 H new ATOM 0 HB2 GLN A 79 -13.512 -10.342 4.483 1.00 0.49 H new ATOM 0 HB3 GLN A 79 -14.172 -11.944 4.745 1.00 0.49 H new ATOM 0 HG2 GLN A 79 -13.756 -11.293 6.931 1.00 0.49 H new ATOM 0 HG3 GLN A 79 -12.268 -12.140 6.561 1.00 0.49 H new ATOM 0 HE21 GLN A 79 -11.859 -9.599 4.689 1.00 0.45 H new ATOM 0 HE22 GLN A 79 -11.160 -8.454 5.839 1.00 0.45 H new ATOM 1296 N LYS A 80 -10.115 -10.810 4.610 1.00 0.39 N ATOM 1297 CA LYS A 80 -9.015 -9.821 4.400 1.00 0.38 C ATOM 1298 C LYS A 80 -8.198 -10.258 3.182 1.00 0.39 C ATOM 1299 O LYS A 80 -7.996 -9.507 2.248 1.00 0.40 O ATOM 1300 CB LYS A 80 -8.085 -9.777 5.622 1.00 0.41 C ATOM 1301 CG LYS A 80 -8.762 -9.057 6.785 1.00 0.50 C ATOM 1302 CD LYS A 80 -7.758 -8.881 7.927 1.00 0.51 C ATOM 1303 CE LYS A 80 -8.468 -8.291 9.147 1.00 0.51 C ATOM 1304 NZ LYS A 80 -9.453 -7.266 8.700 1.00 1.03 N ATOM 0 H LYS A 80 -10.043 -11.369 5.460 1.00 0.39 H new ATOM 0 HA LYS A 80 -9.449 -8.832 4.249 1.00 0.38 H new ATOM 0 HB2 LYS A 80 -7.819 -10.791 5.920 1.00 0.41 H new ATOM 0 HB3 LYS A 80 -7.157 -9.267 5.362 1.00 0.41 H new ATOM 0 HG2 LYS A 80 -9.133 -8.085 6.459 1.00 0.50 H new ATOM 0 HG3 LYS A 80 -9.624 -9.629 7.129 1.00 0.50 H new ATOM 0 HD2 LYS A 80 -7.311 -9.841 8.183 1.00 0.51 H new ATOM 0 HD3 LYS A 80 -6.946 -8.225 7.613 1.00 0.51 H new ATOM 0 HE2 LYS A 80 -8.975 -9.080 9.703 1.00 0.51 H new ATOM 0 HE3 LYS A 80 -7.740 -7.841 9.823 1.00 0.51 H new ATOM 0 HZ1 LYS A 80 -9.774 -6.713 9.520 1.00 1.03 H new ATOM 0 HZ2 LYS A 80 -9.004 -6.632 8.008 1.00 1.03 H new ATOM 0 HZ3 LYS A 80 -10.269 -7.737 8.259 1.00 1.03 H new ATOM 1318 N VAL A 81 -7.725 -11.477 3.195 1.00 0.44 N ATOM 1319 CA VAL A 81 -6.915 -11.990 2.055 1.00 0.47 C ATOM 1320 C VAL A 81 -7.642 -11.716 0.743 1.00 0.45 C ATOM 1321 O VAL A 81 -7.031 -11.542 -0.289 1.00 0.46 O ATOM 1322 CB VAL A 81 -6.720 -13.500 2.210 1.00 0.54 C ATOM 1323 CG1 VAL A 81 -5.802 -14.013 1.100 1.00 0.60 C ATOM 1324 CG2 VAL A 81 -6.088 -13.798 3.570 1.00 0.56 C ATOM 0 H VAL A 81 -7.868 -12.143 3.954 1.00 0.44 H new ATOM 0 HA VAL A 81 -5.947 -11.489 2.048 1.00 0.47 H new ATOM 0 HB VAL A 81 -7.687 -13.998 2.142 1.00 0.54 H new ATOM 0 HG11 VAL A 81 -5.663 -15.088 1.211 1.00 0.60 H new ATOM 0 HG12 VAL A 81 -6.252 -13.803 0.130 1.00 0.60 H new ATOM 0 HG13 VAL A 81 -4.835 -13.514 1.167 1.00 0.60 H new ATOM 0 HG21 VAL A 81 -5.950 -14.874 3.679 1.00 0.56 H new ATOM 0 HG22 VAL A 81 -5.121 -13.299 3.639 1.00 0.56 H new ATOM 0 HG23 VAL A 81 -6.742 -13.434 4.363 1.00 0.56 H new ATOM 1334 N LEU A 82 -8.943 -11.692 0.771 1.00 0.44 N ATOM 1335 CA LEU A 82 -9.715 -11.444 -0.485 1.00 0.44 C ATOM 1336 C LEU A 82 -9.800 -9.953 -0.758 1.00 0.38 C ATOM 1337 O LEU A 82 -9.658 -9.514 -1.872 1.00 0.38 O ATOM 1338 CB LEU A 82 -11.129 -12.033 -0.346 1.00 0.47 C ATOM 1339 CG LEU A 82 -11.757 -12.243 -1.739 1.00 0.49 C ATOM 1340 CD1 LEU A 82 -11.316 -13.592 -2.323 1.00 0.53 C ATOM 1341 CD2 LEU A 82 -13.287 -12.231 -1.623 1.00 0.54 C ATOM 0 H LEU A 82 -9.509 -11.833 1.607 1.00 0.44 H new ATOM 0 HA LEU A 82 -9.205 -11.926 -1.319 1.00 0.44 H new ATOM 0 HB2 LEU A 82 -11.085 -12.982 0.188 1.00 0.47 H new ATOM 0 HB3 LEU A 82 -11.753 -11.363 0.245 1.00 0.47 H new ATOM 0 HG LEU A 82 -11.425 -11.438 -2.394 1.00 0.49 H new ATOM 0 HD11 LEU A 82 -11.766 -13.728 -3.306 1.00 0.53 H new ATOM 0 HD12 LEU A 82 -10.230 -13.611 -2.416 1.00 0.53 H new ATOM 0 HD13 LEU A 82 -11.638 -14.397 -1.662 1.00 0.53 H new ATOM 0 HD21 LEU A 82 -13.728 -12.380 -2.609 1.00 0.54 H new ATOM 0 HD22 LEU A 82 -13.608 -13.032 -0.958 1.00 0.54 H new ATOM 0 HD23 LEU A 82 -13.614 -11.272 -1.220 1.00 0.54 H new ATOM 1353 N ASN A 83 -10.025 -9.172 0.238 1.00 0.35 N ATOM 1354 CA ASN A 83 -10.103 -7.716 0.019 1.00 0.32 C ATOM 1355 C ASN A 83 -8.784 -7.266 -0.623 1.00 0.31 C ATOM 1356 O ASN A 83 -8.742 -6.344 -1.422 1.00 0.30 O ATOM 1357 CB ASN A 83 -10.326 -7.027 1.383 1.00 0.31 C ATOM 1358 CG ASN A 83 -11.336 -5.885 1.242 1.00 0.33 C ATOM 1359 OD1 ASN A 83 -11.028 -4.742 1.513 1.00 0.35 O ATOM 1360 ND2 ASN A 83 -12.540 -6.160 0.824 1.00 0.36 N ATOM 0 H ASN A 83 -10.160 -9.477 1.202 1.00 0.35 H new ATOM 0 HA ASN A 83 -10.929 -7.449 -0.640 1.00 0.32 H new ATOM 0 HB2 ASN A 83 -10.688 -7.754 2.110 1.00 0.31 H new ATOM 0 HB3 ASN A 83 -9.380 -6.640 1.762 1.00 0.31 H new ATOM 0 HD21 ASN A 83 -13.228 -5.414 0.723 1.00 0.36 H new ATOM 0 HD22 ASN A 83 -12.794 -7.122 0.598 1.00 0.36 H new ATOM 1367 N VAL A 84 -7.704 -7.928 -0.289 1.00 0.34 N ATOM 1368 CA VAL A 84 -6.386 -7.548 -0.886 1.00 0.37 C ATOM 1369 C VAL A 84 -6.190 -8.252 -2.216 1.00 0.39 C ATOM 1370 O VAL A 84 -5.614 -7.709 -3.122 1.00 0.41 O ATOM 1371 CB VAL A 84 -5.230 -7.914 0.041 1.00 0.41 C ATOM 1372 CG1 VAL A 84 -3.921 -7.482 -0.621 1.00 0.47 C ATOM 1373 CG2 VAL A 84 -5.401 -7.180 1.373 1.00 0.40 C ATOM 0 H VAL A 84 -7.677 -8.709 0.366 1.00 0.34 H new ATOM 0 HA VAL A 84 -6.392 -6.468 -1.033 1.00 0.37 H new ATOM 0 HB VAL A 84 -5.216 -8.989 0.223 1.00 0.41 H new ATOM 0 HG11 VAL A 84 -3.083 -7.736 0.029 1.00 0.47 H new ATOM 0 HG12 VAL A 84 -3.809 -7.996 -1.576 1.00 0.47 H new ATOM 0 HG13 VAL A 84 -3.936 -6.405 -0.789 1.00 0.47 H new ATOM 0 HG21 VAL A 84 -4.578 -7.438 2.039 1.00 0.40 H new ATOM 0 HG22 VAL A 84 -5.403 -6.104 1.198 1.00 0.40 H new ATOM 0 HG23 VAL A 84 -6.345 -7.474 1.832 1.00 0.40 H new ATOM 1383 N SER A 85 -6.661 -9.452 -2.351 1.00 0.41 N ATOM 1384 CA SER A 85 -6.492 -10.149 -3.651 1.00 0.46 C ATOM 1385 C SER A 85 -7.251 -9.338 -4.693 1.00 0.42 C ATOM 1386 O SER A 85 -6.956 -9.351 -5.868 1.00 0.45 O ATOM 1387 CB SER A 85 -7.078 -11.559 -3.563 1.00 0.50 C ATOM 1388 OG SER A 85 -8.498 -11.477 -3.542 1.00 0.53 O ATOM 0 H SER A 85 -7.151 -9.978 -1.628 1.00 0.41 H new ATOM 0 HA SER A 85 -5.438 -10.234 -3.915 1.00 0.46 H new ATOM 0 HB2 SER A 85 -6.749 -12.156 -4.414 1.00 0.50 H new ATOM 0 HB3 SER A 85 -6.718 -12.060 -2.664 1.00 0.50 H new ATOM 0 HG SER A 85 -8.774 -10.724 -2.979 1.00 0.53 H new ATOM 1394 N PHE A 86 -8.233 -8.626 -4.237 1.00 0.38 N ATOM 1395 CA PHE A 86 -9.062 -7.791 -5.138 1.00 0.36 C ATOM 1396 C PHE A 86 -8.277 -6.543 -5.538 1.00 0.34 C ATOM 1397 O PHE A 86 -8.051 -6.273 -6.694 1.00 0.35 O ATOM 1398 CB PHE A 86 -10.329 -7.389 -4.383 1.00 0.35 C ATOM 1399 CG PHE A 86 -11.068 -6.264 -5.081 1.00 0.32 C ATOM 1400 CD1 PHE A 86 -11.056 -6.150 -6.478 1.00 0.31 C ATOM 1401 CD2 PHE A 86 -11.787 -5.341 -4.313 1.00 0.32 C ATOM 1402 CE1 PHE A 86 -11.763 -5.115 -7.101 1.00 0.31 C ATOM 1403 CE2 PHE A 86 -12.491 -4.304 -4.936 1.00 0.32 C ATOM 1404 CZ PHE A 86 -12.480 -4.191 -6.330 1.00 0.32 C ATOM 0 H PHE A 86 -8.503 -8.586 -3.254 1.00 0.38 H new ATOM 0 HA PHE A 86 -9.324 -8.345 -6.039 1.00 0.36 H new ATOM 0 HB2 PHE A 86 -10.987 -8.253 -4.291 1.00 0.35 H new ATOM 0 HB3 PHE A 86 -10.066 -7.079 -3.372 1.00 0.35 H new ATOM 0 HD1 PHE A 86 -10.502 -6.860 -7.073 1.00 0.31 H new ATOM 0 HD2 PHE A 86 -11.799 -5.429 -3.237 1.00 0.32 H new ATOM 0 HE1 PHE A 86 -11.756 -5.029 -8.178 1.00 0.31 H new ATOM 0 HE2 PHE A 86 -13.042 -3.591 -4.341 1.00 0.32 H new ATOM 0 HZ PHE A 86 -13.024 -3.392 -6.812 1.00 0.32 H new ATOM 1414 N ALA A 87 -7.848 -5.780 -4.587 1.00 0.32 N ATOM 1415 CA ALA A 87 -7.062 -4.563 -4.935 1.00 0.33 C ATOM 1416 C ALA A 87 -5.884 -5.007 -5.802 1.00 0.38 C ATOM 1417 O ALA A 87 -5.439 -4.310 -6.697 1.00 0.39 O ATOM 1418 CB ALA A 87 -6.544 -3.899 -3.657 1.00 0.35 C ATOM 0 H ALA A 87 -8.001 -5.937 -3.591 1.00 0.32 H new ATOM 0 HA ALA A 87 -7.683 -3.844 -5.470 1.00 0.33 H new ATOM 0 HB1 ALA A 87 -5.970 -3.010 -3.916 1.00 0.35 H new ATOM 0 HB2 ALA A 87 -7.387 -3.616 -3.027 1.00 0.35 H new ATOM 0 HB3 ALA A 87 -5.906 -4.598 -3.117 1.00 0.35 H new ATOM 1424 N PHE A 88 -5.404 -6.192 -5.551 1.00 0.41 N ATOM 1425 CA PHE A 88 -4.283 -6.740 -6.333 1.00 0.48 C ATOM 1426 C PHE A 88 -4.816 -7.144 -7.690 1.00 0.48 C ATOM 1427 O PHE A 88 -4.081 -7.288 -8.635 1.00 0.53 O ATOM 1428 CB PHE A 88 -3.724 -7.964 -5.609 1.00 0.52 C ATOM 1429 CG PHE A 88 -2.765 -8.702 -6.511 1.00 0.59 C ATOM 1430 CD1 PHE A 88 -3.268 -9.546 -7.503 1.00 0.61 C ATOM 1431 CD2 PHE A 88 -1.383 -8.543 -6.359 1.00 0.66 C ATOM 1432 CE1 PHE A 88 -2.392 -10.235 -8.349 1.00 0.69 C ATOM 1433 CE2 PHE A 88 -0.504 -9.231 -7.204 1.00 0.73 C ATOM 1434 CZ PHE A 88 -1.010 -10.077 -8.200 1.00 0.74 C ATOM 0 H PHE A 88 -5.755 -6.810 -4.819 1.00 0.41 H new ATOM 0 HA PHE A 88 -3.490 -6.001 -6.447 1.00 0.48 H new ATOM 0 HB2 PHE A 88 -3.214 -7.656 -4.696 1.00 0.52 H new ATOM 0 HB3 PHE A 88 -4.538 -8.625 -5.312 1.00 0.52 H new ATOM 0 HD1 PHE A 88 -4.335 -9.667 -7.618 1.00 0.61 H new ATOM 0 HD2 PHE A 88 -0.995 -7.890 -5.591 1.00 0.66 H new ATOM 0 HE1 PHE A 88 -2.782 -10.888 -9.116 1.00 0.69 H new ATOM 0 HE2 PHE A 88 0.563 -9.110 -7.088 1.00 0.73 H new ATOM 0 HZ PHE A 88 -0.333 -10.607 -8.853 1.00 0.74 H new ATOM 1444 N GLU A 89 -6.095 -7.350 -7.790 1.00 0.44 N ATOM 1445 CA GLU A 89 -6.661 -7.754 -9.106 1.00 0.46 C ATOM 1446 C GLU A 89 -6.764 -6.505 -9.979 1.00 0.43 C ATOM 1447 O GLU A 89 -6.352 -6.499 -11.122 1.00 0.47 O ATOM 1448 CB GLU A 89 -8.040 -8.410 -8.896 1.00 0.46 C ATOM 1449 CG GLU A 89 -7.870 -9.923 -8.716 1.00 0.51 C ATOM 1450 CD GLU A 89 -7.684 -10.590 -10.081 1.00 0.58 C ATOM 1451 OE1 GLU A 89 -8.676 -10.785 -10.764 1.00 0.63 O ATOM 1452 OE2 GLU A 89 -6.552 -10.895 -10.420 1.00 0.60 O ATOM 0 H GLU A 89 -6.768 -7.258 -7.029 1.00 0.44 H new ATOM 0 HA GLU A 89 -6.021 -8.485 -9.600 1.00 0.46 H new ATOM 0 HB2 GLU A 89 -8.527 -7.982 -8.020 1.00 0.46 H new ATOM 0 HB3 GLU A 89 -8.685 -8.206 -9.751 1.00 0.46 H new ATOM 0 HG2 GLU A 89 -7.009 -10.128 -8.080 1.00 0.51 H new ATOM 0 HG3 GLU A 89 -8.743 -10.339 -8.214 1.00 0.51 H new ATOM 1459 N LEU A 90 -7.272 -5.432 -9.439 1.00 0.38 N ATOM 1460 CA LEU A 90 -7.356 -4.184 -10.237 1.00 0.37 C ATOM 1461 C LEU A 90 -5.941 -3.685 -10.487 1.00 0.41 C ATOM 1462 O LEU A 90 -5.698 -2.899 -11.382 1.00 0.42 O ATOM 1463 CB LEU A 90 -8.136 -3.114 -9.469 1.00 0.34 C ATOM 1464 CG LEU A 90 -9.572 -3.586 -9.208 1.00 0.33 C ATOM 1465 CD1 LEU A 90 -10.245 -2.626 -8.217 1.00 0.33 C ATOM 1466 CD2 LEU A 90 -10.372 -3.614 -10.524 1.00 0.36 C ATOM 0 H LEU A 90 -7.630 -5.368 -8.486 1.00 0.38 H new ATOM 0 HA LEU A 90 -7.869 -4.384 -11.178 1.00 0.37 H new ATOM 0 HB2 LEU A 90 -7.639 -2.901 -8.523 1.00 0.34 H new ATOM 0 HB3 LEU A 90 -8.149 -2.185 -10.039 1.00 0.34 H new ATOM 0 HG LEU A 90 -9.548 -4.593 -8.791 1.00 0.33 H new ATOM 0 HD11 LEU A 90 -11.266 -2.956 -8.027 1.00 0.33 H new ATOM 0 HD12 LEU A 90 -9.686 -2.619 -7.281 1.00 0.33 H new ATOM 0 HD13 LEU A 90 -10.261 -1.621 -8.638 1.00 0.33 H new ATOM 0 HD21 LEU A 90 -11.389 -3.951 -10.324 1.00 0.36 H new ATOM 0 HD22 LEU A 90 -10.399 -2.613 -10.955 1.00 0.36 H new ATOM 0 HD23 LEU A 90 -9.895 -4.298 -11.226 1.00 0.36 H new ATOM 1478 N MET A 91 -4.992 -4.146 -9.713 1.00 0.43 N ATOM 1479 CA MET A 91 -3.585 -3.694 -9.940 1.00 0.49 C ATOM 1480 C MET A 91 -2.991 -4.541 -11.051 1.00 0.54 C ATOM 1481 O MET A 91 -2.481 -4.039 -12.033 1.00 0.58 O ATOM 1482 CB MET A 91 -2.756 -3.871 -8.669 1.00 0.52 C ATOM 1483 CG MET A 91 -3.141 -2.807 -7.632 1.00 0.48 C ATOM 1484 SD MET A 91 -2.183 -1.301 -7.939 1.00 0.55 S ATOM 1485 CE MET A 91 -3.424 -0.114 -7.371 1.00 0.60 C ATOM 0 H MET A 91 -5.126 -4.805 -8.946 1.00 0.43 H new ATOM 0 HA MET A 91 -3.577 -2.639 -10.212 1.00 0.49 H new ATOM 0 HB2 MET A 91 -2.918 -4.867 -8.256 1.00 0.52 H new ATOM 0 HB3 MET A 91 -1.695 -3.792 -8.905 1.00 0.52 H new ATOM 0 HG2 MET A 91 -4.208 -2.592 -7.693 1.00 0.48 H new ATOM 0 HG3 MET A 91 -2.947 -3.177 -6.625 1.00 0.48 H new ATOM 0 HE1 MET A 91 -3.040 0.899 -7.491 1.00 0.60 H new ATOM 0 HE2 MET A 91 -4.334 -0.230 -7.960 1.00 0.60 H new ATOM 0 HE3 MET A 91 -3.646 -0.295 -6.319 1.00 0.60 H new ATOM 1495 N GLN A 92 -3.079 -5.831 -10.911 1.00 0.56 N ATOM 1496 CA GLN A 92 -2.547 -6.736 -11.965 1.00 0.62 C ATOM 1497 C GLN A 92 -3.093 -6.264 -13.309 1.00 0.61 C ATOM 1498 O GLN A 92 -2.475 -6.435 -14.341 1.00 0.69 O ATOM 1499 CB GLN A 92 -3.010 -8.172 -11.688 1.00 0.64 C ATOM 1500 CG GLN A 92 -2.440 -9.124 -12.747 1.00 0.66 C ATOM 1501 CD GLN A 92 -0.914 -9.143 -12.655 1.00 0.68 C ATOM 1502 OE1 GLN A 92 -0.352 -8.817 -11.628 1.00 0.72 O ATOM 1503 NE2 GLN A 92 -0.215 -9.514 -13.692 1.00 0.67 N ATOM 0 H GLN A 92 -3.498 -6.301 -10.109 1.00 0.56 H new ATOM 0 HA GLN A 92 -1.457 -6.716 -11.974 1.00 0.62 H new ATOM 0 HB2 GLN A 92 -2.683 -8.482 -10.695 1.00 0.64 H new ATOM 0 HB3 GLN A 92 -4.099 -8.219 -11.694 1.00 0.64 H new ATOM 0 HG2 GLN A 92 -2.835 -10.129 -12.597 1.00 0.66 H new ATOM 0 HG3 GLN A 92 -2.750 -8.804 -13.742 1.00 0.66 H new ATOM 0 HE21 GLN A 92 -0.687 -9.788 -14.554 1.00 0.67 H new ATOM 0 HE22 GLN A 92 0.804 -9.531 -13.641 1.00 0.67 H new ATOM 1512 N ASP A 93 -4.249 -5.650 -13.296 1.00 0.54 N ATOM 1513 CA ASP A 93 -4.839 -5.140 -14.566 1.00 0.54 C ATOM 1514 C ASP A 93 -4.327 -3.723 -14.790 1.00 0.55 C ATOM 1515 O ASP A 93 -3.746 -3.406 -15.809 1.00 0.62 O ATOM 1516 CB ASP A 93 -6.375 -5.134 -14.439 1.00 0.50 C ATOM 1517 CG ASP A 93 -7.025 -5.444 -15.793 1.00 0.61 C ATOM 1518 OD1 ASP A 93 -6.453 -5.066 -16.802 1.00 0.80 O ATOM 1519 OD2 ASP A 93 -8.081 -6.054 -15.796 1.00 0.75 O ATOM 0 H ASP A 93 -4.808 -5.481 -12.460 1.00 0.54 H new ATOM 0 HA ASP A 93 -4.556 -5.773 -15.407 1.00 0.54 H new ATOM 0 HB2 ASP A 93 -6.688 -5.872 -13.701 1.00 0.50 H new ATOM 0 HB3 ASP A 93 -6.713 -4.162 -14.080 1.00 0.50 H new ATOM 1524 N GLY A 94 -4.532 -2.875 -13.829 1.00 0.54 N ATOM 1525 CA GLY A 94 -4.052 -1.474 -13.957 1.00 0.61 C ATOM 1526 C GLY A 94 -2.536 -1.476 -14.168 1.00 0.73 C ATOM 1527 O GLY A 94 -1.925 -0.436 -14.314 1.00 0.82 O ATOM 0 H GLY A 94 -5.013 -3.091 -12.956 1.00 0.54 H new ATOM 0 HA2 GLY A 94 -4.547 -0.983 -14.795 1.00 0.61 H new ATOM 0 HA3 GLY A 94 -4.305 -0.907 -13.061 1.00 0.61 H new ATOM 1531 N GLY A 95 -1.923 -2.641 -14.193 1.00 0.80 N ATOM 1532 CA GLY A 95 -0.437 -2.718 -14.402 1.00 0.94 C ATOM 1533 C GLY A 95 0.202 -3.600 -13.324 1.00 0.92 C ATOM 1534 O GLY A 95 -0.093 -4.773 -13.218 1.00 0.91 O ATOM 0 H GLY A 95 -2.388 -3.541 -14.078 1.00 0.80 H new ATOM 0 HA2 GLY A 95 -0.222 -3.125 -15.390 1.00 0.94 H new ATOM 0 HA3 GLY A 95 -0.005 -1.718 -14.368 1.00 0.94 H new ATOM 1538 N LEU A 96 1.078 -3.033 -12.530 1.00 0.92 N ATOM 1539 CA LEU A 96 1.762 -3.804 -11.452 1.00 0.91 C ATOM 1540 C LEU A 96 2.449 -5.029 -12.047 1.00 0.94 C ATOM 1541 O LEU A 96 3.642 -5.046 -12.276 1.00 0.95 O ATOM 1542 CB LEU A 96 0.731 -4.229 -10.403 1.00 0.89 C ATOM 1543 CG LEU A 96 1.372 -5.159 -9.362 1.00 0.87 C ATOM 1544 CD1 LEU A 96 2.631 -4.508 -8.772 1.00 0.93 C ATOM 1545 CD2 LEU A 96 0.362 -5.425 -8.242 1.00 0.86 C ATOM 0 H LEU A 96 1.350 -2.052 -12.587 1.00 0.92 H new ATOM 0 HA LEU A 96 2.518 -3.179 -10.978 1.00 0.91 H new ATOM 0 HB2 LEU A 96 0.322 -3.348 -9.909 1.00 0.89 H new ATOM 0 HB3 LEU A 96 -0.102 -4.737 -10.889 1.00 0.89 H new ATOM 0 HG LEU A 96 1.653 -6.096 -9.842 1.00 0.87 H new ATOM 0 HD11 LEU A 96 3.076 -5.177 -8.036 1.00 0.93 H new ATOM 0 HD12 LEU A 96 3.349 -4.317 -9.569 1.00 0.93 H new ATOM 0 HD13 LEU A 96 2.363 -3.567 -8.292 1.00 0.93 H new ATOM 0 HD21 LEU A 96 0.809 -6.085 -7.498 1.00 0.86 H new ATOM 0 HD22 LEU A 96 0.085 -4.482 -7.771 1.00 0.86 H new ATOM 0 HD23 LEU A 96 -0.527 -5.898 -8.659 1.00 0.86 H new ATOM 1557 N GLU A 97 1.695 -6.045 -12.296 1.00 0.96 N ATOM 1558 CA GLU A 97 2.265 -7.292 -12.883 1.00 1.00 C ATOM 1559 C GLU A 97 3.495 -7.736 -12.085 1.00 0.99 C ATOM 1560 O GLU A 97 3.827 -7.173 -11.060 1.00 0.99 O ATOM 1561 CB GLU A 97 2.667 -7.034 -14.340 1.00 1.05 C ATOM 1562 CG GLU A 97 1.417 -7.008 -15.222 1.00 1.13 C ATOM 1563 CD GLU A 97 1.780 -6.468 -16.607 1.00 1.25 C ATOM 1564 OE1 GLU A 97 2.728 -6.971 -17.187 1.00 1.37 O ATOM 1565 OE2 GLU A 97 1.105 -5.560 -17.063 1.00 1.27 O ATOM 0 H GLU A 97 0.691 -6.075 -12.119 1.00 0.96 H new ATOM 0 HA GLU A 97 1.512 -8.079 -12.844 1.00 1.00 H new ATOM 0 HB2 GLU A 97 3.199 -6.086 -14.418 1.00 1.05 H new ATOM 0 HB3 GLU A 97 3.350 -7.812 -14.682 1.00 1.05 H new ATOM 0 HG2 GLU A 97 1.000 -8.011 -15.309 1.00 1.13 H new ATOM 0 HG3 GLU A 97 0.650 -6.382 -14.766 1.00 1.13 H new ATOM 1572 N LYS A 98 4.168 -8.750 -12.558 1.00 1.02 N ATOM 1573 CA LYS A 98 5.380 -9.263 -11.853 1.00 1.01 C ATOM 1574 C LYS A 98 5.138 -9.329 -10.336 1.00 1.00 C ATOM 1575 O LYS A 98 5.755 -8.596 -9.589 1.00 1.04 O ATOM 1576 CB LYS A 98 6.561 -8.333 -12.137 1.00 1.08 C ATOM 1577 CG LYS A 98 7.004 -8.502 -13.592 1.00 1.09 C ATOM 1578 CD LYS A 98 7.938 -7.355 -13.980 1.00 1.13 C ATOM 1579 CE LYS A 98 8.420 -7.553 -15.418 1.00 1.16 C ATOM 1580 NZ LYS A 98 9.049 -8.898 -15.550 1.00 1.18 N ATOM 0 H LYS A 98 3.927 -9.251 -13.413 1.00 1.02 H new ATOM 0 HA LYS A 98 5.598 -10.267 -12.216 1.00 1.01 H new ATOM 0 HB2 LYS A 98 6.276 -7.298 -11.950 1.00 1.08 H new ATOM 0 HB3 LYS A 98 7.388 -8.562 -11.465 1.00 1.08 H new ATOM 0 HG2 LYS A 98 7.513 -9.458 -13.719 1.00 1.09 H new ATOM 0 HG3 LYS A 98 6.134 -8.514 -14.249 1.00 1.09 H new ATOM 0 HD2 LYS A 98 7.418 -6.402 -13.888 1.00 1.13 H new ATOM 0 HD3 LYS A 98 8.790 -7.320 -13.301 1.00 1.13 H new ATOM 0 HE2 LYS A 98 7.582 -7.462 -16.110 1.00 1.16 H new ATOM 0 HE3 LYS A 98 9.138 -6.776 -15.683 1.00 1.16 H new ATOM 0 HZ1 LYS A 98 9.650 -8.918 -16.398 1.00 1.18 H new ATOM 0 HZ2 LYS A 98 9.629 -9.094 -14.709 1.00 1.18 H new ATOM 0 HZ3 LYS A 98 8.307 -9.622 -15.635 1.00 1.18 H new ATOM 1594 N PRO A 99 4.255 -10.211 -9.917 1.00 0.93 N ATOM 1595 CA PRO A 99 3.945 -10.376 -8.484 1.00 0.91 C ATOM 1596 C PRO A 99 5.137 -11.015 -7.760 1.00 0.98 C ATOM 1597 O PRO A 99 6.015 -11.589 -8.373 1.00 1.02 O ATOM 1598 CB PRO A 99 2.720 -11.319 -8.448 1.00 0.84 C ATOM 1599 CG PRO A 99 2.462 -11.804 -9.906 1.00 0.82 C ATOM 1600 CD PRO A 99 3.491 -11.098 -10.821 1.00 0.88 C ATOM 0 HA PRO A 99 3.742 -9.426 -7.989 1.00 0.91 H new ATOM 0 HB2 PRO A 99 2.908 -12.167 -7.789 1.00 0.84 H new ATOM 0 HB3 PRO A 99 1.846 -10.798 -8.056 1.00 0.84 H new ATOM 0 HG2 PRO A 99 2.568 -12.887 -9.974 1.00 0.82 H new ATOM 0 HG3 PRO A 99 1.445 -11.563 -10.216 1.00 0.82 H new ATOM 0 HD2 PRO A 99 4.144 -11.819 -11.312 1.00 0.88 H new ATOM 0 HD3 PRO A 99 2.996 -10.529 -11.608 1.00 0.88 H new ATOM 1608 N LYS A 100 5.159 -10.933 -6.456 1.00 0.98 N ATOM 1609 CA LYS A 100 6.271 -11.548 -5.681 1.00 1.05 C ATOM 1610 C LYS A 100 5.740 -12.065 -4.322 1.00 1.02 C ATOM 1611 O LYS A 100 5.976 -13.211 -3.996 1.00 1.04 O ATOM 1612 CB LYS A 100 7.410 -10.516 -5.493 1.00 1.11 C ATOM 1613 CG LYS A 100 8.722 -11.032 -6.109 1.00 1.18 C ATOM 1614 CD LYS A 100 9.882 -10.130 -5.678 1.00 1.25 C ATOM 1615 CE LYS A 100 9.617 -8.690 -6.128 1.00 1.22 C ATOM 1616 NZ LYS A 100 10.902 -7.937 -6.160 1.00 1.30 N ATOM 0 H LYS A 100 4.450 -10.463 -5.893 1.00 0.98 H new ATOM 0 HA LYS A 100 6.676 -12.400 -6.228 1.00 1.05 H new ATOM 0 HB2 LYS A 100 7.131 -9.571 -5.959 1.00 1.11 H new ATOM 0 HB3 LYS A 100 7.555 -10.317 -4.431 1.00 1.11 H new ATOM 0 HG2 LYS A 100 8.907 -12.057 -5.789 1.00 1.18 H new ATOM 0 HG3 LYS A 100 8.644 -11.047 -7.196 1.00 1.18 H new ATOM 0 HD2 LYS A 100 9.999 -10.166 -4.595 1.00 1.25 H new ATOM 0 HD3 LYS A 100 10.815 -10.490 -6.112 1.00 1.25 H new ATOM 0 HE2 LYS A 100 9.155 -8.685 -7.115 1.00 1.22 H new ATOM 0 HE3 LYS A 100 8.917 -8.207 -5.446 1.00 1.22 H new ATOM 0 HZ1 LYS A 100 10.724 -6.959 -6.465 1.00 1.30 H new ATOM 0 HZ2 LYS A 100 11.325 -7.931 -5.210 1.00 1.30 H new ATOM 0 HZ3 LYS A 100 11.556 -8.394 -6.827 1.00 1.30 H new ATOM 1630 N PRO A 101 5.038 -11.241 -3.552 1.00 0.97 N ATOM 1631 CA PRO A 101 4.509 -11.680 -2.255 1.00 0.95 C ATOM 1632 C PRO A 101 3.102 -12.245 -2.502 1.00 0.89 C ATOM 1633 O PRO A 101 2.798 -12.664 -3.602 1.00 0.89 O ATOM 1634 CB PRO A 101 4.489 -10.378 -1.447 1.00 0.92 C ATOM 1635 CG PRO A 101 4.331 -9.235 -2.467 1.00 0.92 C ATOM 1636 CD PRO A 101 4.704 -9.824 -3.855 1.00 0.95 C ATOM 0 HA PRO A 101 5.075 -12.457 -1.741 1.00 0.95 H new ATOM 0 HB2 PRO A 101 3.666 -10.377 -0.732 1.00 0.92 H new ATOM 0 HB3 PRO A 101 5.409 -10.263 -0.874 1.00 0.92 H new ATOM 0 HG2 PRO A 101 3.309 -8.856 -2.469 1.00 0.92 H new ATOM 0 HG3 PRO A 101 4.981 -8.397 -2.214 1.00 0.92 H new ATOM 0 HD2 PRO A 101 3.875 -9.749 -4.559 1.00 0.95 H new ATOM 0 HD3 PRO A 101 5.549 -9.299 -4.300 1.00 0.95 H new ATOM 1644 N ARG A 102 2.241 -12.275 -1.515 1.00 0.84 N ATOM 1645 CA ARG A 102 0.863 -12.828 -1.735 1.00 0.79 C ATOM 1646 C ARG A 102 -0.168 -11.981 -0.955 1.00 0.71 C ATOM 1647 O ARG A 102 0.156 -11.480 0.100 1.00 0.71 O ATOM 1648 CB ARG A 102 0.834 -14.271 -1.224 1.00 0.83 C ATOM 1649 CG ARG A 102 2.155 -14.940 -1.585 1.00 0.92 C ATOM 1650 CD ARG A 102 2.063 -16.442 -1.311 1.00 0.96 C ATOM 1651 NE ARG A 102 3.333 -17.103 -1.726 1.00 1.05 N ATOM 1652 CZ ARG A 102 3.600 -18.315 -1.320 1.00 1.11 C ATOM 1653 NH1 ARG A 102 2.755 -18.948 -0.553 1.00 1.09 N ATOM 1654 NH2 ARG A 102 4.713 -18.893 -1.682 1.00 1.18 N ATOM 0 H ARG A 102 2.429 -11.943 -0.569 1.00 0.84 H new ATOM 0 HA ARG A 102 0.613 -12.800 -2.796 1.00 0.79 H new ATOM 0 HB2 ARG A 102 0.684 -14.287 -0.144 1.00 0.83 H new ATOM 0 HB3 ARG A 102 0.001 -14.814 -1.670 1.00 0.83 H new ATOM 0 HG2 ARG A 102 2.387 -14.766 -2.636 1.00 0.92 H new ATOM 0 HG3 ARG A 102 2.966 -14.503 -1.003 1.00 0.92 H new ATOM 0 HD2 ARG A 102 1.879 -16.618 -0.251 1.00 0.96 H new ATOM 0 HD3 ARG A 102 1.222 -16.871 -1.857 1.00 0.96 H new ATOM 0 HE ARG A 102 3.993 -16.609 -2.327 1.00 1.05 H new ATOM 0 HH11 ARG A 102 1.885 -18.496 -0.270 1.00 1.09 H new ATOM 0 HH12 ARG A 102 2.964 -19.895 -0.236 1.00 1.09 H new ATOM 0 HH21 ARG A 102 5.373 -18.398 -2.281 1.00 1.18 H new ATOM 0 HH22 ARG A 102 4.922 -19.840 -1.365 1.00 1.18 H new ATOM 1668 N PRO A 103 -1.388 -11.857 -1.472 1.00 0.66 N ATOM 1669 CA PRO A 103 -2.453 -11.084 -0.795 1.00 0.59 C ATOM 1670 C PRO A 103 -2.414 -11.351 0.708 1.00 0.59 C ATOM 1671 O PRO A 103 -2.841 -10.545 1.509 1.00 0.55 O ATOM 1672 CB PRO A 103 -3.754 -11.591 -1.441 1.00 0.57 C ATOM 1673 CG PRO A 103 -3.346 -12.252 -2.783 1.00 0.61 C ATOM 1674 CD PRO A 103 -1.816 -12.477 -2.740 1.00 0.67 C ATOM 0 HA PRO A 103 -2.347 -10.005 -0.907 1.00 0.59 H new ATOM 0 HB2 PRO A 103 -4.257 -12.308 -0.792 1.00 0.57 H new ATOM 0 HB3 PRO A 103 -4.451 -10.770 -1.608 1.00 0.57 H new ATOM 0 HG2 PRO A 103 -3.870 -13.198 -2.920 1.00 0.61 H new ATOM 0 HG3 PRO A 103 -3.617 -11.613 -3.624 1.00 0.61 H new ATOM 0 HD2 PRO A 103 -1.570 -13.539 -2.766 1.00 0.67 H new ATOM 0 HD3 PRO A 103 -1.322 -12.014 -3.595 1.00 0.67 H new ATOM 1682 N GLU A 104 -1.881 -12.473 1.091 1.00 0.64 N ATOM 1683 CA GLU A 104 -1.782 -12.796 2.534 1.00 0.65 C ATOM 1684 C GLU A 104 -0.601 -12.025 3.106 1.00 0.67 C ATOM 1685 O GLU A 104 -0.735 -11.236 4.016 1.00 0.65 O ATOM 1686 CB GLU A 104 -1.535 -14.297 2.702 1.00 0.71 C ATOM 1687 CG GLU A 104 -2.743 -15.080 2.185 1.00 0.71 C ATOM 1688 CD GLU A 104 -2.547 -16.569 2.478 1.00 0.78 C ATOM 1689 OE1 GLU A 104 -2.394 -16.909 3.639 1.00 0.82 O ATOM 1690 OE2 GLU A 104 -2.553 -17.343 1.535 1.00 0.81 O ATOM 0 H GLU A 104 -1.508 -13.184 0.462 1.00 0.64 H new ATOM 0 HA GLU A 104 -2.703 -12.525 3.050 1.00 0.65 H new ATOM 0 HB2 GLU A 104 -0.638 -14.591 2.156 1.00 0.71 H new ATOM 0 HB3 GLU A 104 -1.360 -14.531 3.752 1.00 0.71 H new ATOM 0 HG2 GLU A 104 -3.655 -14.721 2.663 1.00 0.71 H new ATOM 0 HG3 GLU A 104 -2.861 -14.922 1.113 1.00 0.71 H new ATOM 1697 N ASP A 105 0.552 -12.253 2.547 1.00 0.73 N ATOM 1698 CA ASP A 105 1.791 -11.569 2.996 1.00 0.78 C ATOM 1699 C ASP A 105 1.501 -10.090 3.263 1.00 0.73 C ATOM 1700 O ASP A 105 2.151 -9.450 4.056 1.00 0.77 O ATOM 1701 CB ASP A 105 2.831 -11.702 1.882 1.00 0.83 C ATOM 1702 CG ASP A 105 2.959 -13.169 1.461 1.00 0.88 C ATOM 1703 OD1 ASP A 105 2.052 -13.933 1.745 1.00 0.86 O ATOM 1704 OD2 ASP A 105 3.969 -13.503 0.865 1.00 0.94 O ATOM 0 H ASP A 105 0.689 -12.905 1.775 1.00 0.73 H new ATOM 0 HA ASP A 105 2.161 -12.019 3.917 1.00 0.78 H new ATOM 0 HB2 ASP A 105 2.540 -11.093 1.026 1.00 0.83 H new ATOM 0 HB3 ASP A 105 3.795 -11.328 2.226 1.00 0.83 H new ATOM 1709 N ILE A 106 0.511 -9.551 2.622 1.00 0.67 N ATOM 1710 CA ILE A 106 0.157 -8.118 2.857 1.00 0.64 C ATOM 1711 C ILE A 106 -0.731 -8.082 4.105 1.00 0.59 C ATOM 1712 O ILE A 106 -0.332 -7.612 5.152 1.00 0.61 O ATOM 1713 CB ILE A 106 -0.607 -7.536 1.632 1.00 0.61 C ATOM 1714 CG1 ILE A 106 -0.350 -8.376 0.371 1.00 0.64 C ATOM 1715 CG2 ILE A 106 -0.158 -6.100 1.347 1.00 0.62 C ATOM 1716 CD1 ILE A 106 1.139 -8.342 -0.002 1.00 0.72 C ATOM 0 H ILE A 106 -0.074 -10.036 1.942 1.00 0.67 H new ATOM 0 HA ILE A 106 1.054 -7.514 2.996 1.00 0.64 H new ATOM 0 HB ILE A 106 -1.669 -7.555 1.877 1.00 0.61 H new ATOM 0 HG12 ILE A 106 -0.665 -9.405 0.542 1.00 0.64 H new ATOM 0 HG13 ILE A 106 -0.947 -7.993 -0.456 1.00 0.64 H new ATOM 0 HG21 ILE A 106 -0.704 -5.712 0.487 1.00 0.62 H new ATOM 0 HG22 ILE A 106 -0.361 -5.476 2.217 1.00 0.62 H new ATOM 0 HG23 ILE A 106 0.911 -6.089 1.133 1.00 0.62 H new ATOM 0 HD11 ILE A 106 1.304 -8.942 -0.897 1.00 0.72 H new ATOM 0 HD12 ILE A 106 1.443 -7.313 -0.194 1.00 0.72 H new ATOM 0 HD13 ILE A 106 1.729 -8.747 0.820 1.00 0.72 H new ATOM 1728 N VAL A 107 -1.925 -8.614 3.997 1.00 0.54 N ATOM 1729 CA VAL A 107 -2.851 -8.666 5.170 1.00 0.51 C ATOM 1730 C VAL A 107 -2.055 -9.098 6.407 1.00 0.53 C ATOM 1731 O VAL A 107 -2.351 -8.723 7.524 1.00 0.50 O ATOM 1732 CB VAL A 107 -3.908 -9.746 4.877 1.00 0.49 C ATOM 1733 CG1 VAL A 107 -4.724 -10.101 6.132 1.00 0.48 C ATOM 1734 CG2 VAL A 107 -4.841 -9.259 3.775 1.00 0.46 C ATOM 0 H VAL A 107 -2.300 -9.018 3.138 1.00 0.54 H new ATOM 0 HA VAL A 107 -3.314 -7.694 5.342 1.00 0.51 H new ATOM 0 HB VAL A 107 -3.388 -10.648 4.554 1.00 0.49 H new ATOM 0 HG11 VAL A 107 -5.459 -10.867 5.884 1.00 0.48 H new ATOM 0 HG12 VAL A 107 -4.055 -10.478 6.906 1.00 0.48 H new ATOM 0 HG13 VAL A 107 -5.236 -9.211 6.497 1.00 0.48 H new ATOM 0 HG21 VAL A 107 -5.589 -10.024 3.568 1.00 0.46 H new ATOM 0 HG22 VAL A 107 -5.337 -8.343 4.097 1.00 0.46 H new ATOM 0 HG23 VAL A 107 -4.265 -9.061 2.871 1.00 0.46 H new ATOM 1744 N ASN A 108 -1.063 -9.920 6.196 1.00 0.59 N ATOM 1745 CA ASN A 108 -0.240 -10.439 7.327 1.00 0.63 C ATOM 1746 C ASN A 108 0.399 -9.279 8.104 1.00 0.63 C ATOM 1747 O ASN A 108 1.166 -9.488 9.022 1.00 0.66 O ATOM 1748 CB ASN A 108 0.867 -11.359 6.754 1.00 0.69 C ATOM 1749 CG ASN A 108 1.158 -12.510 7.726 1.00 1.07 C ATOM 1750 OD1 ASN A 108 1.942 -12.362 8.643 1.00 1.33 O ATOM 1751 ND2 ASN A 108 0.557 -13.657 7.561 1.00 1.35 N ATOM 0 H ASN A 108 -0.784 -10.259 5.275 1.00 0.59 H new ATOM 0 HA ASN A 108 -0.877 -11.000 8.011 1.00 0.63 H new ATOM 0 HB2 ASN A 108 0.554 -11.759 5.789 1.00 0.69 H new ATOM 0 HB3 ASN A 108 1.775 -10.782 6.580 1.00 0.69 H new ATOM 0 HD21 ASN A 108 0.745 -14.428 8.201 1.00 1.35 H new ATOM 0 HD22 ASN A 108 -0.101 -13.782 6.792 1.00 1.35 H new ATOM 1758 N CYS A 109 0.081 -8.066 7.756 1.00 0.61 N ATOM 1759 CA CYS A 109 0.659 -6.900 8.486 1.00 0.63 C ATOM 1760 C CYS A 109 2.186 -6.880 8.337 1.00 0.70 C ATOM 1761 O CYS A 109 2.825 -5.895 8.651 1.00 0.85 O ATOM 1762 CB CYS A 109 0.287 -6.993 9.971 1.00 0.62 C ATOM 1763 SG CYS A 109 0.380 -5.348 10.719 1.00 0.66 S ATOM 0 H CYS A 109 -0.556 -7.828 6.996 1.00 0.61 H new ATOM 0 HA CYS A 109 0.254 -5.981 8.063 1.00 0.63 H new ATOM 0 HB2 CYS A 109 -0.719 -7.398 10.080 1.00 0.62 H new ATOM 0 HB3 CYS A 109 0.963 -7.677 10.484 1.00 0.62 H new ATOM 0 HG CYS A 109 0.063 -5.425 11.977 1.00 0.66 H new ATOM 1769 N ASP A 110 2.788 -7.942 7.860 1.00 0.72 N ATOM 1770 CA ASP A 110 4.259 -7.927 7.709 1.00 0.79 C ATOM 1771 C ASP A 110 4.630 -6.741 6.838 1.00 0.81 C ATOM 1772 O ASP A 110 3.828 -6.228 6.083 1.00 0.80 O ATOM 1773 CB ASP A 110 4.762 -9.231 7.073 1.00 0.84 C ATOM 1774 CG ASP A 110 4.150 -9.417 5.687 1.00 0.85 C ATOM 1775 OD1 ASP A 110 4.080 -8.446 4.953 1.00 0.98 O ATOM 1776 OD2 ASP A 110 3.769 -10.535 5.379 1.00 0.88 O ATOM 0 H ASP A 110 2.324 -8.804 7.574 1.00 0.72 H new ATOM 0 HA ASP A 110 4.727 -7.841 8.690 1.00 0.79 H new ATOM 0 HB2 ASP A 110 5.849 -9.211 6.998 1.00 0.84 H new ATOM 0 HB3 ASP A 110 4.502 -10.077 7.709 1.00 0.84 H new ATOM 1781 N LEU A 111 5.834 -6.299 6.947 1.00 0.89 N ATOM 1782 CA LEU A 111 6.293 -5.141 6.153 1.00 0.93 C ATOM 1783 C LEU A 111 7.007 -5.651 4.914 1.00 0.97 C ATOM 1784 O LEU A 111 6.764 -5.214 3.828 1.00 0.96 O ATOM 1785 CB LEU A 111 7.275 -4.327 6.999 1.00 1.02 C ATOM 1786 CG LEU A 111 6.512 -3.497 8.037 1.00 1.06 C ATOM 1787 CD1 LEU A 111 5.840 -4.424 9.058 1.00 1.09 C ATOM 1788 CD2 LEU A 111 7.496 -2.568 8.758 1.00 1.12 C ATOM 0 H LEU A 111 6.539 -6.698 7.567 1.00 0.89 H new ATOM 0 HA LEU A 111 5.446 -4.519 5.863 1.00 0.93 H new ATOM 0 HB2 LEU A 111 7.976 -4.995 7.500 1.00 1.02 H new ATOM 0 HB3 LEU A 111 7.863 -3.670 6.357 1.00 1.02 H new ATOM 0 HG LEU A 111 5.745 -2.907 7.536 1.00 1.06 H new ATOM 0 HD11 LEU A 111 5.300 -3.826 9.792 1.00 1.09 H new ATOM 0 HD12 LEU A 111 5.142 -5.086 8.545 1.00 1.09 H new ATOM 0 HD13 LEU A 111 6.600 -5.020 9.564 1.00 1.09 H new ATOM 0 HD21 LEU A 111 6.960 -1.974 9.498 1.00 1.12 H new ATOM 0 HD22 LEU A 111 8.261 -3.164 9.256 1.00 1.12 H new ATOM 0 HD23 LEU A 111 7.968 -1.905 8.033 1.00 1.12 H new ATOM 1800 N LYS A 112 7.907 -6.562 5.102 1.00 1.00 N ATOM 1801 CA LYS A 112 8.707 -7.116 3.977 1.00 1.04 C ATOM 1802 C LYS A 112 7.927 -7.191 2.658 1.00 1.02 C ATOM 1803 O LYS A 112 8.075 -6.374 1.776 1.00 1.04 O ATOM 1804 CB LYS A 112 9.097 -8.533 4.382 1.00 1.06 C ATOM 1805 CG LYS A 112 9.935 -9.181 3.275 1.00 1.12 C ATOM 1806 CD LYS A 112 10.771 -10.327 3.857 1.00 1.15 C ATOM 1807 CE LYS A 112 11.248 -11.241 2.726 1.00 1.20 C ATOM 1808 NZ LYS A 112 12.068 -12.348 3.295 1.00 1.17 N ATOM 0 H LYS A 112 8.131 -6.960 6.014 1.00 1.00 H new ATOM 0 HA LYS A 112 9.561 -6.461 3.802 1.00 1.04 H new ATOM 0 HB2 LYS A 112 9.663 -8.511 5.313 1.00 1.06 H new ATOM 0 HB3 LYS A 112 8.202 -9.127 4.567 1.00 1.06 H new ATOM 0 HG2 LYS A 112 9.283 -9.558 2.487 1.00 1.12 H new ATOM 0 HG3 LYS A 112 10.589 -8.437 2.819 1.00 1.12 H new ATOM 0 HD2 LYS A 112 11.627 -9.927 4.400 1.00 1.15 H new ATOM 0 HD3 LYS A 112 10.178 -10.896 4.572 1.00 1.15 H new ATOM 0 HE2 LYS A 112 10.392 -11.648 2.187 1.00 1.20 H new ATOM 0 HE3 LYS A 112 11.836 -10.671 2.007 1.00 1.20 H new ATOM 0 HZ1 LYS A 112 12.393 -12.970 2.527 1.00 1.17 H new ATOM 0 HZ2 LYS A 112 12.892 -11.951 3.790 1.00 1.17 H new ATOM 0 HZ3 LYS A 112 11.493 -12.897 3.965 1.00 1.17 H new ATOM 1822 N SER A 113 7.107 -8.170 2.525 1.00 0.98 N ATOM 1823 CA SER A 113 6.323 -8.345 1.272 1.00 0.96 C ATOM 1824 C SER A 113 5.575 -7.054 0.908 1.00 0.92 C ATOM 1825 O SER A 113 5.711 -6.488 -0.168 1.00 0.94 O ATOM 1826 CB SER A 113 5.311 -9.446 1.562 1.00 0.92 C ATOM 1827 OG SER A 113 5.109 -9.525 2.967 1.00 0.90 O ATOM 0 H SER A 113 6.935 -8.877 3.239 1.00 0.98 H new ATOM 0 HA SER A 113 6.979 -8.592 0.437 1.00 0.96 H new ATOM 0 HB2 SER A 113 4.369 -9.235 1.057 1.00 0.92 H new ATOM 0 HB3 SER A 113 5.672 -10.400 1.178 1.00 0.92 H new ATOM 0 HG SER A 113 4.428 -8.874 3.237 1.00 0.90 H new ATOM 1833 N THR A 114 4.767 -6.622 1.811 1.00 0.88 N ATOM 1834 CA THR A 114 3.949 -5.397 1.613 1.00 0.85 C ATOM 1835 C THR A 114 4.802 -4.323 0.935 1.00 0.89 C ATOM 1836 O THR A 114 4.351 -3.615 0.067 1.00 0.89 O ATOM 1837 CB THR A 114 3.416 -4.941 3.004 1.00 0.81 C ATOM 1838 OG1 THR A 114 1.998 -4.892 2.967 1.00 0.76 O ATOM 1839 CG2 THR A 114 3.944 -3.554 3.404 1.00 0.84 C ATOM 0 H THR A 114 4.629 -7.077 2.713 1.00 0.88 H new ATOM 0 HA THR A 114 3.095 -5.587 0.963 1.00 0.85 H new ATOM 0 HB THR A 114 3.767 -5.662 3.742 1.00 0.81 H new ATOM 0 HG1 THR A 114 1.658 -4.607 3.841 1.00 0.76 H new ATOM 0 HG21 THR A 114 3.545 -3.280 4.381 1.00 0.84 H new ATOM 0 HG22 THR A 114 5.033 -3.579 3.451 1.00 0.84 H new ATOM 0 HG23 THR A 114 3.630 -2.818 2.664 1.00 0.84 H new ATOM 1847 N LEU A 115 6.030 -4.214 1.324 1.00 0.95 N ATOM 1848 CA LEU A 115 6.913 -3.205 0.722 1.00 1.00 C ATOM 1849 C LEU A 115 7.141 -3.550 -0.743 1.00 1.02 C ATOM 1850 O LEU A 115 7.027 -2.694 -1.586 1.00 1.02 O ATOM 1851 CB LEU A 115 8.240 -3.165 1.481 1.00 1.06 C ATOM 1852 CG LEU A 115 8.052 -2.474 2.840 1.00 1.04 C ATOM 1853 CD1 LEU A 115 9.339 -2.615 3.652 1.00 1.09 C ATOM 1854 CD2 LEU A 115 7.715 -0.980 2.647 1.00 1.06 C ATOM 0 H LEU A 115 6.463 -4.791 2.045 1.00 0.95 H new ATOM 0 HA LEU A 115 6.450 -2.220 0.785 1.00 1.00 H new ATOM 0 HB2 LEU A 115 8.614 -4.178 1.628 1.00 1.06 H new ATOM 0 HB3 LEU A 115 8.988 -2.632 0.894 1.00 1.06 H new ATOM 0 HG LEU A 115 7.225 -2.946 3.370 1.00 1.04 H new ATOM 0 HD11 LEU A 115 9.215 -2.127 4.619 1.00 1.09 H new ATOM 0 HD12 LEU A 115 9.559 -3.672 3.804 1.00 1.09 H new ATOM 0 HD13 LEU A 115 10.163 -2.147 3.113 1.00 1.09 H new ATOM 0 HD21 LEU A 115 7.585 -0.508 3.621 1.00 1.06 H new ATOM 0 HD22 LEU A 115 8.528 -0.490 2.111 1.00 1.06 H new ATOM 0 HD23 LEU A 115 6.793 -0.886 2.073 1.00 1.06 H new ATOM 1866 N ARG A 116 7.444 -4.785 -1.083 1.00 1.03 N ATOM 1867 CA ARG A 116 7.642 -5.097 -2.524 1.00 1.05 C ATOM 1868 C ARG A 116 6.512 -4.466 -3.363 1.00 1.01 C ATOM 1869 O ARG A 116 6.746 -3.730 -4.301 1.00 1.04 O ATOM 1870 CB ARG A 116 7.592 -6.616 -2.707 1.00 1.04 C ATOM 1871 CG ARG A 116 8.957 -7.240 -2.405 1.00 1.10 C ATOM 1872 CD ARG A 116 9.311 -7.030 -0.933 1.00 1.10 C ATOM 1873 NE ARG A 116 10.019 -5.715 -0.828 1.00 1.16 N ATOM 1874 CZ ARG A 116 10.472 -5.289 0.311 1.00 1.17 C ATOM 1875 NH1 ARG A 116 10.376 -6.039 1.368 1.00 1.13 N ATOM 1876 NH2 ARG A 116 11.044 -4.119 0.390 1.00 1.23 N ATOM 0 H ARG A 116 7.559 -5.567 -0.438 1.00 1.03 H new ATOM 0 HA ARG A 116 8.602 -4.698 -2.850 1.00 1.05 H new ATOM 0 HB2 ARG A 116 6.837 -7.043 -2.047 1.00 1.04 H new ATOM 0 HB3 ARG A 116 7.295 -6.855 -3.728 1.00 1.04 H new ATOM 0 HG2 ARG A 116 8.938 -8.305 -2.635 1.00 1.10 H new ATOM 0 HG3 ARG A 116 9.721 -6.790 -3.039 1.00 1.10 H new ATOM 0 HD2 ARG A 116 8.411 -7.032 -0.317 1.00 1.10 H new ATOM 0 HD3 ARG A 116 9.947 -7.838 -0.572 1.00 1.10 H new ATOM 0 HE ARG A 116 10.147 -5.145 -1.664 1.00 1.16 H new ATOM 0 HH11 ARG A 116 9.945 -6.961 1.302 1.00 1.13 H new ATOM 0 HH12 ARG A 116 10.732 -5.706 2.264 1.00 1.13 H new ATOM 0 HH21 ARG A 116 11.135 -3.539 -0.444 1.00 1.23 H new ATOM 0 HH22 ARG A 116 11.400 -3.785 1.286 1.00 1.23 H new ATOM 1890 N VAL A 117 5.294 -4.790 -3.037 1.00 0.95 N ATOM 1891 CA VAL A 117 4.122 -4.275 -3.819 1.00 0.91 C ATOM 1892 C VAL A 117 3.930 -2.759 -3.678 1.00 0.92 C ATOM 1893 O VAL A 117 3.786 -2.055 -4.657 1.00 0.94 O ATOM 1894 CB VAL A 117 2.852 -4.998 -3.340 1.00 0.85 C ATOM 1895 CG1 VAL A 117 1.605 -4.343 -3.948 1.00 0.82 C ATOM 1896 CG2 VAL A 117 2.912 -6.461 -3.779 1.00 0.85 C ATOM 0 H VAL A 117 5.051 -5.397 -2.254 1.00 0.95 H new ATOM 0 HA VAL A 117 4.315 -4.474 -4.873 1.00 0.91 H new ATOM 0 HB VAL A 117 2.795 -4.932 -2.253 1.00 0.85 H new ATOM 0 HG11 VAL A 117 0.714 -4.865 -3.600 1.00 0.82 H new ATOM 0 HG12 VAL A 117 1.557 -3.298 -3.641 1.00 0.82 H new ATOM 0 HG13 VAL A 117 1.658 -4.400 -5.035 1.00 0.82 H new ATOM 0 HG21 VAL A 117 2.014 -6.979 -3.442 1.00 0.85 H new ATOM 0 HG22 VAL A 117 2.974 -6.512 -4.866 1.00 0.85 H new ATOM 0 HG23 VAL A 117 3.790 -6.936 -3.342 1.00 0.85 H new ATOM 1906 N LEU A 118 3.883 -2.257 -2.486 1.00 0.91 N ATOM 1907 CA LEU A 118 3.648 -0.799 -2.307 1.00 0.92 C ATOM 1908 C LEU A 118 4.699 -0.017 -3.092 1.00 0.98 C ATOM 1909 O LEU A 118 4.400 0.976 -3.721 1.00 1.00 O ATOM 1910 CB LEU A 118 3.720 -0.439 -0.810 1.00 0.92 C ATOM 1911 CG LEU A 118 2.351 -0.599 -0.114 1.00 0.86 C ATOM 1912 CD1 LEU A 118 1.459 0.625 -0.397 1.00 0.86 C ATOM 1913 CD2 LEU A 118 1.639 -1.884 -0.577 1.00 0.81 C ATOM 0 H LEU A 118 3.997 -2.789 -1.623 1.00 0.91 H new ATOM 0 HA LEU A 118 2.658 -0.539 -2.681 1.00 0.92 H new ATOM 0 HB2 LEU A 118 4.454 -1.077 -0.318 1.00 0.92 H new ATOM 0 HB3 LEU A 118 4.066 0.589 -0.700 1.00 0.92 H new ATOM 0 HG LEU A 118 2.528 -0.672 0.959 1.00 0.86 H new ATOM 0 HD11 LEU A 118 0.498 0.497 0.100 1.00 0.86 H new ATOM 0 HD12 LEU A 118 1.946 1.525 -0.020 1.00 0.86 H new ATOM 0 HD13 LEU A 118 1.302 0.720 -1.471 1.00 0.86 H new ATOM 0 HD21 LEU A 118 0.678 -1.970 -0.070 1.00 0.81 H new ATOM 0 HD22 LEU A 118 1.479 -1.843 -1.654 1.00 0.81 H new ATOM 0 HD23 LEU A 118 2.256 -2.749 -0.334 1.00 0.81 H new ATOM 1925 N TYR A 119 5.918 -0.460 -3.078 1.00 1.03 N ATOM 1926 CA TYR A 119 6.965 0.253 -3.839 1.00 1.09 C ATOM 1927 C TYR A 119 6.546 0.268 -5.292 1.00 1.08 C ATOM 1928 O TYR A 119 6.476 1.294 -5.929 1.00 1.11 O ATOM 1929 CB TYR A 119 8.277 -0.511 -3.711 1.00 1.13 C ATOM 1930 CG TYR A 119 9.393 0.320 -4.271 1.00 1.20 C ATOM 1931 CD1 TYR A 119 9.952 1.346 -3.508 1.00 1.24 C ATOM 1932 CD2 TYR A 119 9.863 0.062 -5.555 1.00 1.24 C ATOM 1933 CE1 TYR A 119 10.993 2.120 -4.035 1.00 1.31 C ATOM 1934 CE2 TYR A 119 10.903 0.831 -6.089 1.00 1.31 C ATOM 1935 CZ TYR A 119 11.469 1.862 -5.327 1.00 1.34 C ATOM 1936 OH TYR A 119 12.494 2.623 -5.850 1.00 1.41 O ATOM 0 H TYR A 119 6.234 -1.287 -2.571 1.00 1.03 H new ATOM 0 HA TYR A 119 7.095 1.268 -3.462 1.00 1.09 H new ATOM 0 HB2 TYR A 119 8.473 -0.746 -2.665 1.00 1.13 H new ATOM 0 HB3 TYR A 119 8.212 -1.459 -4.244 1.00 1.13 H new ATOM 0 HD1 TYR A 119 9.582 1.543 -2.513 1.00 1.24 H new ATOM 0 HD2 TYR A 119 9.425 -0.733 -6.140 1.00 1.24 H new ATOM 0 HE1 TYR A 119 11.428 2.914 -3.447 1.00 1.31 H new ATOM 0 HE2 TYR A 119 11.268 0.631 -7.085 1.00 1.31 H new ATOM 0 HH TYR A 119 12.704 2.312 -6.755 1.00 1.41 H new ATOM 1946 N ASN A 120 6.258 -0.885 -5.803 1.00 1.06 N ATOM 1947 CA ASN A 120 5.826 -1.009 -7.218 1.00 1.05 C ATOM 1948 C ASN A 120 4.805 0.103 -7.545 1.00 1.03 C ATOM 1949 O ASN A 120 4.815 0.685 -8.622 1.00 1.05 O ATOM 1950 CB ASN A 120 5.180 -2.406 -7.385 1.00 1.01 C ATOM 1951 CG ASN A 120 5.564 -3.015 -8.741 1.00 1.04 C ATOM 1952 OD1 ASN A 120 5.175 -2.514 -9.776 1.00 1.06 O ATOM 1953 ND2 ASN A 120 6.316 -4.082 -8.775 1.00 1.06 N ATOM 0 H ASN A 120 6.304 -1.767 -5.292 1.00 1.06 H new ATOM 0 HA ASN A 120 6.671 -0.903 -7.898 1.00 1.05 H new ATOM 0 HB2 ASN A 120 5.506 -3.063 -6.579 1.00 1.01 H new ATOM 0 HB3 ASN A 120 4.096 -2.324 -7.310 1.00 1.01 H new ATOM 0 HD21 ASN A 120 6.576 -4.494 -9.671 1.00 1.06 H new ATOM 0 HD22 ASN A 120 6.643 -4.503 -7.906 1.00 1.06 H new ATOM 1960 N LEU A 121 3.934 0.414 -6.622 1.00 0.99 N ATOM 1961 CA LEU A 121 2.934 1.477 -6.890 1.00 0.97 C ATOM 1962 C LEU A 121 3.605 2.840 -6.805 1.00 1.03 C ATOM 1963 O LEU A 121 3.675 3.541 -7.778 1.00 1.05 O ATOM 1964 CB LEU A 121 1.810 1.412 -5.853 1.00 0.92 C ATOM 1965 CG LEU A 121 0.713 0.445 -6.316 1.00 0.87 C ATOM 1966 CD1 LEU A 121 1.299 -0.959 -6.482 1.00 0.86 C ATOM 1967 CD2 LEU A 121 -0.404 0.407 -5.270 1.00 0.87 C ATOM 0 H LEU A 121 3.875 -0.021 -5.701 1.00 0.99 H new ATOM 0 HA LEU A 121 2.519 1.328 -7.887 1.00 0.97 H new ATOM 0 HB2 LEU A 121 2.210 1.086 -4.893 1.00 0.92 H new ATOM 0 HB3 LEU A 121 1.388 2.406 -5.701 1.00 0.92 H new ATOM 0 HG LEU A 121 0.312 0.785 -7.271 1.00 0.87 H new ATOM 0 HD11 LEU A 121 0.517 -1.643 -6.811 1.00 0.86 H new ATOM 0 HD12 LEU A 121 2.096 -0.935 -7.225 1.00 0.86 H new ATOM 0 HD13 LEU A 121 1.702 -1.300 -5.528 1.00 0.86 H new ATOM 0 HD21 LEU A 121 -1.185 -0.280 -5.597 1.00 0.87 H new ATOM 0 HD22 LEU A 121 0.002 0.068 -4.317 1.00 0.87 H new ATOM 0 HD23 LEU A 121 -0.825 1.405 -5.151 1.00 0.87 H new ATOM 1979 N PHE A 122 4.086 3.230 -5.648 1.00 1.05 N ATOM 1980 CA PHE A 122 4.727 4.561 -5.515 1.00 1.11 C ATOM 1981 C PHE A 122 5.586 4.853 -6.719 1.00 1.16 C ATOM 1982 O PHE A 122 5.782 5.977 -7.104 1.00 1.20 O ATOM 1983 CB PHE A 122 5.612 4.545 -4.252 1.00 1.14 C ATOM 1984 CG PHE A 122 5.714 5.926 -3.678 1.00 1.18 C ATOM 1985 CD1 PHE A 122 4.558 6.533 -3.237 1.00 1.16 C ATOM 1986 CD2 PHE A 122 6.945 6.587 -3.587 1.00 1.25 C ATOM 1987 CE1 PHE A 122 4.604 7.824 -2.690 1.00 1.20 C ATOM 1988 CE2 PHE A 122 7.003 7.875 -3.044 1.00 1.29 C ATOM 1989 CZ PHE A 122 5.830 8.495 -2.594 1.00 1.27 C ATOM 0 H PHE A 122 4.058 2.676 -4.792 1.00 1.05 H new ATOM 0 HA PHE A 122 3.959 5.331 -5.440 1.00 1.11 H new ATOM 0 HB2 PHE A 122 5.191 3.865 -3.512 1.00 1.14 H new ATOM 0 HB3 PHE A 122 6.606 4.171 -4.499 1.00 1.14 H new ATOM 0 HD1 PHE A 122 3.614 6.013 -3.313 1.00 1.16 H new ATOM 0 HD2 PHE A 122 7.846 6.104 -3.935 1.00 1.25 H new ATOM 0 HE1 PHE A 122 3.698 8.299 -2.344 1.00 1.20 H new ATOM 0 HE2 PHE A 122 7.950 8.390 -2.972 1.00 1.29 H new ATOM 0 HZ PHE A 122 5.871 9.489 -2.174 1.00 1.27 H new ATOM 1999 N THR A 123 6.071 3.846 -7.315 1.00 1.15 N ATOM 2000 CA THR A 123 6.923 4.048 -8.504 1.00 1.20 C ATOM 2001 C THR A 123 6.072 4.504 -9.682 1.00 1.18 C ATOM 2002 O THR A 123 6.354 5.494 -10.324 1.00 1.22 O ATOM 2003 CB THR A 123 7.621 2.734 -8.861 1.00 1.21 C ATOM 2004 OG1 THR A 123 8.324 2.249 -7.725 1.00 1.22 O ATOM 2005 CG2 THR A 123 8.602 2.972 -10.009 1.00 1.27 C ATOM 0 H THR A 123 5.923 2.875 -7.041 1.00 1.15 H new ATOM 0 HA THR A 123 7.669 4.812 -8.283 1.00 1.20 H new ATOM 0 HB THR A 123 6.878 1.998 -9.169 1.00 1.21 H new ATOM 0 HG1 THR A 123 7.706 1.762 -7.141 1.00 1.22 H new ATOM 0 HG21 THR A 123 9.099 2.036 -10.263 1.00 1.27 H new ATOM 0 HG22 THR A 123 8.061 3.343 -10.879 1.00 1.27 H new ATOM 0 HG23 THR A 123 9.347 3.707 -9.705 1.00 1.27 H new ATOM 2013 N LYS A 124 5.051 3.771 -9.984 1.00 1.12 N ATOM 2014 CA LYS A 124 4.204 4.124 -11.163 1.00 1.10 C ATOM 2015 C LYS A 124 3.219 5.261 -10.881 1.00 1.10 C ATOM 2016 O LYS A 124 2.683 5.840 -11.806 1.00 1.11 O ATOM 2017 CB LYS A 124 3.398 2.899 -11.583 1.00 1.04 C ATOM 2018 CG LYS A 124 4.326 1.706 -11.835 1.00 1.04 C ATOM 2019 CD LYS A 124 3.511 0.392 -11.772 1.00 0.99 C ATOM 2020 CE LYS A 124 4.020 -0.578 -12.840 1.00 0.98 C ATOM 2021 NZ LYS A 124 3.189 -1.812 -12.839 1.00 0.92 N ATOM 0 H LYS A 124 4.758 2.940 -9.471 1.00 1.12 H new ATOM 0 HA LYS A 124 4.884 4.457 -11.947 1.00 1.10 H new ATOM 0 HB2 LYS A 124 2.676 2.648 -10.806 1.00 1.04 H new ATOM 0 HB3 LYS A 124 2.830 3.122 -12.486 1.00 1.04 H new ATOM 0 HG2 LYS A 124 4.803 1.803 -12.810 1.00 1.04 H new ATOM 0 HG3 LYS A 124 5.122 1.688 -11.091 1.00 1.04 H new ATOM 0 HD2 LYS A 124 3.603 -0.058 -10.784 1.00 0.99 H new ATOM 0 HD3 LYS A 124 2.453 0.600 -11.930 1.00 0.99 H new ATOM 0 HE2 LYS A 124 3.983 -0.105 -13.821 1.00 0.98 H new ATOM 0 HE3 LYS A 124 5.063 -0.831 -12.647 1.00 0.98 H new ATOM 0 HZ1 LYS A 124 3.806 -2.646 -12.769 1.00 0.92 H new ATOM 0 HZ2 LYS A 124 2.540 -1.793 -12.027 1.00 0.92 H new ATOM 0 HZ3 LYS A 124 2.639 -1.861 -13.720 1.00 0.92 H new ATOM 2035 N TYR A 125 2.933 5.573 -9.640 1.00 1.10 N ATOM 2036 CA TYR A 125 1.934 6.653 -9.354 1.00 1.11 C ATOM 2037 C TYR A 125 2.629 7.915 -8.835 1.00 1.17 C ATOM 2038 O TYR A 125 2.050 8.981 -8.792 1.00 1.20 O ATOM 2039 CB TYR A 125 0.940 6.134 -8.320 1.00 1.06 C ATOM 2040 CG TYR A 125 0.043 5.087 -8.957 1.00 1.00 C ATOM 2041 CD1 TYR A 125 0.544 3.811 -9.271 1.00 0.97 C ATOM 2042 CD2 TYR A 125 -1.297 5.395 -9.237 1.00 0.99 C ATOM 2043 CE1 TYR A 125 -0.294 2.855 -9.860 1.00 0.92 C ATOM 2044 CE2 TYR A 125 -2.131 4.436 -9.825 1.00 0.94 C ATOM 2045 CZ TYR A 125 -1.629 3.168 -10.136 1.00 0.90 C ATOM 2046 OH TYR A 125 -2.453 2.225 -10.717 1.00 0.86 O ATOM 0 H TYR A 125 3.344 5.131 -8.818 1.00 1.10 H new ATOM 0 HA TYR A 125 1.412 6.917 -10.274 1.00 1.11 H new ATOM 0 HB2 TYR A 125 1.473 5.704 -7.472 1.00 1.06 H new ATOM 0 HB3 TYR A 125 0.338 6.957 -7.934 1.00 1.06 H new ATOM 0 HD1 TYR A 125 1.575 3.568 -9.058 1.00 0.97 H new ATOM 0 HD2 TYR A 125 -1.686 6.374 -8.998 1.00 0.99 H new ATOM 0 HE1 TYR A 125 0.091 1.875 -10.101 1.00 0.92 H new ATOM 0 HE2 TYR A 125 -3.162 4.676 -10.038 1.00 0.94 H new ATOM 0 HH TYR A 125 -3.348 2.604 -10.840 1.00 0.86 H new ATOM 2056 N ARG A 126 3.860 7.798 -8.440 1.00 1.20 N ATOM 2057 CA ARG A 126 4.614 8.967 -7.921 1.00 1.27 C ATOM 2058 C ARG A 126 4.375 10.197 -8.811 1.00 1.31 C ATOM 2059 O ARG A 126 4.435 11.324 -8.361 1.00 1.35 O ATOM 2060 CB ARG A 126 6.107 8.557 -7.889 1.00 1.31 C ATOM 2061 CG ARG A 126 7.014 9.690 -8.371 1.00 1.38 C ATOM 2062 CD ARG A 126 8.490 9.273 -8.260 1.00 1.42 C ATOM 2063 NE ARG A 126 9.327 10.480 -8.011 1.00 1.49 N ATOM 2064 CZ ARG A 126 10.557 10.347 -7.594 1.00 1.52 C ATOM 2065 NH1 ARG A 126 11.053 9.157 -7.391 1.00 1.50 N ATOM 2066 NH2 ARG A 126 11.290 11.405 -7.379 1.00 1.59 N ATOM 0 H ARG A 126 4.387 6.925 -8.455 1.00 1.20 H new ATOM 0 HA ARG A 126 4.283 9.244 -6.920 1.00 1.27 H new ATOM 0 HB2 ARG A 126 6.385 8.275 -6.874 1.00 1.31 H new ATOM 0 HB3 ARG A 126 6.257 7.679 -8.517 1.00 1.31 H new ATOM 0 HG2 ARG A 126 6.776 9.941 -9.405 1.00 1.38 H new ATOM 0 HG3 ARG A 126 6.836 10.586 -7.776 1.00 1.38 H new ATOM 0 HD2 ARG A 126 8.617 8.555 -7.449 1.00 1.42 H new ATOM 0 HD3 ARG A 126 8.810 8.778 -9.177 1.00 1.42 H new ATOM 0 HE ARG A 126 8.939 11.410 -8.166 1.00 1.49 H new ATOM 0 HH11 ARG A 126 10.480 8.330 -7.558 1.00 1.50 H new ATOM 0 HH12 ARG A 126 12.014 9.054 -7.065 1.00 1.50 H new ATOM 0 HH21 ARG A 126 10.902 12.335 -7.537 1.00 1.59 H new ATOM 0 HH22 ARG A 126 12.251 11.302 -7.053 1.00 1.59 H new ATOM 2080 N ASN A 127 4.130 9.984 -10.065 1.00 1.30 N ATOM 2081 CA ASN A 127 3.912 11.119 -11.001 1.00 1.33 C ATOM 2082 C ASN A 127 2.441 11.498 -10.967 1.00 1.29 C ATOM 2083 O ASN A 127 2.045 12.592 -11.319 1.00 1.31 O ATOM 2084 CB ASN A 127 4.310 10.646 -12.410 1.00 1.35 C ATOM 2085 CG ASN A 127 5.724 11.128 -12.761 1.00 1.43 C ATOM 2086 OD1 ASN A 127 5.890 12.038 -13.548 1.00 1.46 O ATOM 2087 ND2 ASN A 127 6.753 10.550 -12.205 1.00 1.46 N ATOM 0 H ASN A 127 4.070 9.059 -10.492 1.00 1.30 H new ATOM 0 HA ASN A 127 4.508 11.988 -10.722 1.00 1.33 H new ATOM 0 HB2 ASN A 127 4.268 9.558 -12.460 1.00 1.35 H new ATOM 0 HB3 ASN A 127 3.598 11.027 -13.142 1.00 1.35 H new ATOM 0 HD21 ASN A 127 7.697 10.862 -12.431 1.00 1.46 H new ATOM 0 HD22 ASN A 127 6.613 9.786 -11.544 1.00 1.46 H new ATOM 2094 N VAL A 128 1.642 10.581 -10.547 1.00 1.23 N ATOM 2095 CA VAL A 128 0.182 10.807 -10.467 1.00 1.18 C ATOM 2096 C VAL A 128 -0.179 11.218 -9.048 1.00 1.15 C ATOM 2097 O VAL A 128 0.380 10.751 -8.076 1.00 1.11 O ATOM 2098 CB VAL A 128 -0.519 9.502 -10.845 1.00 1.14 C ATOM 2099 CG1 VAL A 128 -1.987 9.526 -10.400 1.00 1.09 C ATOM 2100 CG2 VAL A 128 -0.456 9.312 -12.362 1.00 1.17 C ATOM 0 H VAL A 128 1.944 9.655 -10.246 1.00 1.23 H new ATOM 0 HA VAL A 128 -0.131 11.599 -11.147 1.00 1.18 H new ATOM 0 HB VAL A 128 -0.013 8.678 -10.343 1.00 1.14 H new ATOM 0 HG11 VAL A 128 -2.467 8.588 -10.679 1.00 1.09 H new ATOM 0 HG12 VAL A 128 -2.037 9.652 -9.318 1.00 1.09 H new ATOM 0 HG13 VAL A 128 -2.501 10.355 -10.886 1.00 1.09 H new ATOM 0 HG21 VAL A 128 -0.955 8.382 -12.633 1.00 1.17 H new ATOM 0 HG22 VAL A 128 -0.953 10.148 -12.854 1.00 1.17 H new ATOM 0 HG23 VAL A 128 0.586 9.271 -12.681 1.00 1.17 H new