USER MOD reduce.3.24.130724 H: found=0, std=0, add=759, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 762 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 Single : A 8 SER OG : rot 16:sc= 0.604 USER MOD Single : A 14 LYS NZ :NH3+ 162:sc= 1.05 (180deg=0.419) USER MOD Single : A 16 ASN : amide:sc= -1.24! X(o=-1.2!,f=-1) USER MOD Single : A 18 ASN : amide:sc= -0.129 K(o=-0.13,f=-2!) USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 SER OG : rot 180:sc= 0.105 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 81 ASN : amide:sc= -0.15 K(o=-0.15,f=-1.6!) USER MOD Single : A 87 SER OG : rot 84:sc= 1.28 USER MOD Single : A 92 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 100 THR OG1 : rot 180:sc= 0.974 USER MOD Single : A 102 LYS NZ :NH3+ -104:sc= -0.46 (180deg=-1.06) USER MOD Single : A 103 LYS NZ :NH3+ -157:sc=-0.00547 (180deg=-0.754) USER MOD Single : A 108 TYR OH : rot 180:sc= 0 USER MOD Single : A 111 SER OG : rot 87:sc= 0.00219 USER MOD Single : A 114 SER OG : rot 180:sc= 0.0793 USER MOD Single : A 117 THR OG1 : rot -160:sc= -0.527 USER MOD Single : A 121 HIS : no HE2:sc= -0.0699 K(o=-0.07,f=-0.96) USER MOD Single : A 130 LYS NZ :NH3+ -139:sc= 1.17 (180deg=-0.156) USER MOD Single : A 132 MET CE :methyl -166:sc= 0 (180deg=-0.247) USER MOD Single : A 133 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 134 GLN : amide:sc= -0.193 X(o=-0.19,f=-0.51) USER MOD Single : A 135 TYR OH : rot -76:sc= 0.722 USER MOD Single : A 136 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 145 MET CE :methyl 172:sc= -0.0312 (180deg=-0.166) USER MOD Single : A 148 GLN : amide:sc= 0.94 K(o=0.94,f=-0.94) USER MOD ----------------------------------------------------------------- ATOM 108 N SER A 8 -116.547 -51.009 -0.691 1.00 17.93 N ATOM 109 CA SER A 8 -116.484 -49.818 -1.518 1.00 18.07 C ATOM 110 C SER A 8 -115.981 -50.174 -2.916 1.00 17.91 C ATOM 111 O SER A 8 -114.998 -49.613 -3.395 1.00 17.61 O ATOM 112 CB SER A 8 -115.568 -48.789 -0.856 1.00 18.00 C ATOM 113 OG SER A 8 -115.621 -48.918 0.557 1.00 17.96 O ATOM 0 HA SER A 8 -117.481 -49.389 -1.617 1.00 18.07 H new ATOM 0 HB2 SER A 8 -114.544 -48.928 -1.202 1.00 18.00 H new ATOM 0 HB3 SER A 8 -115.870 -47.783 -1.148 1.00 18.00 H new ATOM 0 HG SER A 8 -116.020 -49.781 0.792 1.00 17.96 H new ATOM 119 N LEU A 9 -116.675 -51.118 -3.551 1.00 18.20 N ATOM 120 CA LEU A 9 -116.285 -51.635 -4.857 1.00 18.26 C ATOM 121 C LEU A 9 -116.068 -50.512 -5.857 1.00 18.43 C ATOM 122 O LEU A 9 -115.002 -50.415 -6.462 1.00 18.25 O ATOM 123 CB LEU A 9 -117.352 -52.596 -5.389 1.00 18.77 C ATOM 124 CG LEU A 9 -117.491 -53.909 -4.616 1.00 18.82 C ATOM 125 CD1 LEU A 9 -118.931 -54.121 -4.183 1.00 19.04 C ATOM 126 CD2 LEU A 9 -117.010 -55.077 -5.462 1.00 18.92 C ATOM 0 H LEU A 9 -117.522 -51.544 -3.173 1.00 18.20 H new ATOM 0 HA LEU A 9 -115.343 -52.169 -4.731 1.00 18.26 H new ATOM 0 HB2 LEU A 9 -118.315 -52.085 -5.381 1.00 18.77 H new ATOM 0 HB3 LEU A 9 -117.123 -52.828 -6.429 1.00 18.77 H new ATOM 0 HG LEU A 9 -116.869 -53.852 -3.723 1.00 18.82 H new ATOM 0 HD11 LEU A 9 -119.012 -55.060 -3.635 1.00 19.04 H new ATOM 0 HD12 LEU A 9 -119.243 -53.297 -3.541 1.00 19.04 H new ATOM 0 HD13 LEU A 9 -119.574 -54.158 -5.063 1.00 19.04 H new ATOM 0 HD21 LEU A 9 -117.116 -56.003 -4.897 1.00 18.92 H new ATOM 0 HD22 LEU A 9 -117.607 -55.137 -6.372 1.00 18.92 H new ATOM 0 HD23 LEU A 9 -115.962 -54.929 -5.724 1.00 18.92 H new ATOM 138 N ASP A 10 -117.070 -49.652 -6.008 1.00 18.85 N ATOM 139 CA ASP A 10 -117.005 -48.561 -6.975 1.00 19.17 C ATOM 140 C ASP A 10 -115.826 -47.646 -6.683 1.00 18.74 C ATOM 141 O ASP A 10 -115.091 -47.262 -7.590 1.00 18.78 O ATOM 142 CB ASP A 10 -118.301 -47.749 -6.966 1.00 19.78 C ATOM 143 CG ASP A 10 -118.291 -46.644 -8.001 1.00 19.90 C ATOM 144 OD1 ASP A 10 -118.565 -46.931 -9.186 1.00 20.27 O ATOM 145 OD2 ASP A 10 -118.013 -45.483 -7.641 1.00 19.72 O ATOM 0 H ASP A 10 -117.938 -49.689 -5.473 1.00 18.85 H new ATOM 0 HA ASP A 10 -116.871 -49.003 -7.962 1.00 19.17 H new ATOM 0 HB2 ASP A 10 -119.145 -48.413 -7.154 1.00 19.78 H new ATOM 0 HB3 ASP A 10 -118.450 -47.316 -5.977 1.00 19.78 H new ATOM 150 N ASP A 11 -115.647 -47.322 -5.410 1.00 18.38 N ATOM 151 CA ASP A 11 -114.552 -46.460 -4.972 1.00 18.04 C ATOM 152 C ASP A 11 -113.208 -47.047 -5.380 1.00 17.56 C ATOM 153 O ASP A 11 -112.354 -46.356 -5.941 1.00 17.42 O ATOM 154 CB ASP A 11 -114.592 -46.284 -3.454 1.00 17.93 C ATOM 155 CG ASP A 11 -114.264 -44.873 -3.025 1.00 17.97 C ATOM 156 OD1 ASP A 11 -113.078 -44.483 -3.114 1.00 18.05 O ATOM 157 OD2 ASP A 11 -115.184 -44.142 -2.602 1.00 17.99 O ATOM 0 H ASP A 11 -116.251 -47.645 -4.654 1.00 18.38 H new ATOM 0 HA ASP A 11 -114.673 -45.489 -5.452 1.00 18.04 H new ATOM 0 HB2 ASP A 11 -115.583 -46.551 -3.087 1.00 17.93 H new ATOM 0 HB3 ASP A 11 -113.885 -46.974 -2.993 1.00 17.93 H new ATOM 162 N ILE A 12 -113.036 -48.331 -5.101 1.00 17.40 N ATOM 163 CA ILE A 12 -111.820 -49.043 -5.464 1.00 17.12 C ATOM 164 C ILE A 12 -111.652 -49.072 -6.973 1.00 17.38 C ATOM 165 O ILE A 12 -110.580 -48.771 -7.489 1.00 17.18 O ATOM 166 CB ILE A 12 -111.841 -50.487 -4.934 1.00 17.14 C ATOM 167 CG1 ILE A 12 -112.042 -50.488 -3.417 1.00 16.99 C ATOM 168 CG2 ILE A 12 -110.554 -51.212 -5.304 1.00 17.02 C ATOM 169 CD1 ILE A 12 -112.532 -51.807 -2.867 1.00 17.20 C ATOM 0 H ILE A 12 -113.729 -48.904 -4.621 1.00 17.40 H new ATOM 0 HA ILE A 12 -110.983 -48.512 -5.011 1.00 17.12 H new ATOM 0 HB ILE A 12 -112.674 -51.016 -5.397 1.00 17.14 H new ATOM 0 HG12 ILE A 12 -111.099 -50.232 -2.935 1.00 16.99 H new ATOM 0 HG13 ILE A 12 -112.756 -49.708 -3.154 1.00 16.99 H new ATOM 0 HG21 ILE A 12 -110.588 -52.232 -4.920 1.00 17.02 H new ATOM 0 HG22 ILE A 12 -110.449 -51.236 -6.389 1.00 17.02 H new ATOM 0 HG23 ILE A 12 -109.703 -50.688 -4.868 1.00 17.02 H new ATOM 0 HD11 ILE A 12 -112.650 -51.729 -1.786 1.00 17.20 H new ATOM 0 HD12 ILE A 12 -113.492 -52.056 -3.320 1.00 17.20 H new ATOM 0 HD13 ILE A 12 -111.808 -52.589 -3.097 1.00 17.20 H new ATOM 181 N ILE A 13 -112.719 -49.449 -7.667 1.00 17.90 N ATOM 182 CA ILE A 13 -112.741 -49.459 -9.130 1.00 18.37 C ATOM 183 C ILE A 13 -112.272 -48.119 -9.699 1.00 18.32 C ATOM 184 O ILE A 13 -111.428 -48.077 -10.594 1.00 18.33 O ATOM 185 CB ILE A 13 -114.157 -49.775 -9.664 1.00 19.08 C ATOM 186 CG1 ILE A 13 -114.532 -51.222 -9.351 1.00 19.19 C ATOM 187 CG2 ILE A 13 -114.243 -49.522 -11.163 1.00 19.74 C ATOM 188 CD1 ILE A 13 -116.023 -51.480 -9.364 1.00 19.76 C ATOM 0 H ILE A 13 -113.591 -49.756 -7.237 1.00 17.90 H new ATOM 0 HA ILE A 13 -112.056 -50.242 -9.456 1.00 18.37 H new ATOM 0 HB ILE A 13 -114.863 -49.111 -9.165 1.00 19.08 H new ATOM 0 HG12 ILE A 13 -114.052 -51.878 -10.078 1.00 19.19 H new ATOM 0 HG13 ILE A 13 -114.135 -51.487 -8.371 1.00 19.19 H new ATOM 0 HG21 ILE A 13 -115.249 -49.752 -11.514 1.00 19.74 H new ATOM 0 HG22 ILE A 13 -114.017 -48.476 -11.369 1.00 19.74 H new ATOM 0 HG23 ILE A 13 -113.524 -50.157 -11.681 1.00 19.74 H new ATOM 0 HD11 ILE A 13 -116.213 -52.528 -9.133 1.00 19.76 H new ATOM 0 HD12 ILE A 13 -116.508 -50.851 -8.618 1.00 19.76 H new ATOM 0 HD13 ILE A 13 -116.424 -51.247 -10.350 1.00 19.76 H new ATOM 200 N LYS A 14 -112.826 -47.035 -9.170 1.00 18.34 N ATOM 201 CA LYS A 14 -112.439 -45.686 -9.579 1.00 18.38 C ATOM 202 C LYS A 14 -110.927 -45.500 -9.469 1.00 17.73 C ATOM 203 O LYS A 14 -110.260 -45.107 -10.432 1.00 17.76 O ATOM 204 CB LYS A 14 -113.140 -44.645 -8.706 1.00 18.59 C ATOM 205 CG LYS A 14 -114.645 -44.566 -8.918 1.00 19.27 C ATOM 206 CD LYS A 14 -114.991 -44.231 -10.358 1.00 19.91 C ATOM 207 CE LYS A 14 -116.496 -44.253 -10.595 1.00 20.52 C ATOM 208 NZ LYS A 14 -117.256 -43.718 -9.434 1.00 21.03 N ATOM 0 H LYS A 14 -113.550 -47.062 -8.452 1.00 18.34 H new ATOM 0 HA LYS A 14 -112.739 -45.551 -10.618 1.00 18.38 H new ATOM 0 HB2 LYS A 14 -112.943 -44.873 -7.659 1.00 18.59 H new ATOM 0 HB3 LYS A 14 -112.704 -43.666 -8.906 1.00 18.59 H new ATOM 0 HG2 LYS A 14 -115.102 -45.518 -8.646 1.00 19.27 H new ATOM 0 HG3 LYS A 14 -115.067 -43.809 -8.257 1.00 19.27 H new ATOM 0 HD2 LYS A 14 -114.598 -43.245 -10.607 1.00 19.91 H new ATOM 0 HD3 LYS A 14 -114.507 -44.945 -11.024 1.00 19.91 H new ATOM 0 HE2 LYS A 14 -116.731 -43.665 -11.483 1.00 20.52 H new ATOM 0 HE3 LYS A 14 -116.815 -45.276 -10.796 1.00 20.52 H new ATOM 0 HZ1 LYS A 14 -118.219 -43.466 -9.736 1.00 21.03 H new ATOM 0 HZ2 LYS A 14 -117.305 -44.441 -8.688 1.00 21.03 H new ATOM 0 HZ3 LYS A 14 -116.777 -42.872 -9.065 1.00 21.03 H new ATOM 222 N LEU A 15 -110.395 -45.804 -8.294 1.00 17.23 N ATOM 223 CA LEU A 15 -108.966 -45.691 -8.046 1.00 16.69 C ATOM 224 C LEU A 15 -108.197 -46.659 -8.935 1.00 16.61 C ATOM 225 O LEU A 15 -107.119 -46.343 -9.424 1.00 16.40 O ATOM 226 CB LEU A 15 -108.657 -45.969 -6.573 1.00 16.34 C ATOM 227 CG LEU A 15 -108.477 -44.724 -5.700 1.00 16.28 C ATOM 228 CD1 LEU A 15 -109.827 -44.178 -5.261 1.00 16.26 C ATOM 229 CD2 LEU A 15 -107.615 -45.045 -4.490 1.00 16.28 C ATOM 0 H LEU A 15 -110.935 -46.133 -7.494 1.00 17.23 H new ATOM 0 HA LEU A 15 -108.653 -44.674 -8.282 1.00 16.69 H new ATOM 0 HB2 LEU A 15 -109.464 -46.572 -6.156 1.00 16.34 H new ATOM 0 HB3 LEU A 15 -107.748 -46.568 -6.515 1.00 16.34 H new ATOM 0 HG LEU A 15 -107.974 -43.959 -6.291 1.00 16.28 H new ATOM 0 HD11 LEU A 15 -109.678 -43.294 -4.642 1.00 16.26 H new ATOM 0 HD12 LEU A 15 -110.415 -43.911 -6.139 1.00 16.26 H new ATOM 0 HD13 LEU A 15 -110.357 -44.938 -4.687 1.00 16.26 H new ATOM 0 HD21 LEU A 15 -107.497 -44.150 -3.880 1.00 16.28 H new ATOM 0 HD22 LEU A 15 -108.094 -45.826 -3.899 1.00 16.28 H new ATOM 0 HD23 LEU A 15 -106.636 -45.390 -4.822 1.00 16.28 H new ATOM 241 N ASN A 16 -108.781 -47.830 -9.157 1.00 16.87 N ATOM 242 CA ASN A 16 -108.171 -48.860 -9.991 1.00 17.01 C ATOM 243 C ASN A 16 -107.969 -48.346 -11.409 1.00 17.40 C ATOM 244 O ASN A 16 -106.927 -48.570 -12.019 1.00 17.38 O ATOM 245 CB ASN A 16 -109.043 -50.115 -10.026 1.00 17.36 C ATOM 246 CG ASN A 16 -108.551 -51.181 -9.074 1.00 17.34 C ATOM 247 OD1 ASN A 16 -108.006 -52.207 -9.490 1.00 17.60 O ATOM 248 ND2 ASN A 16 -108.735 -50.944 -7.791 1.00 17.15 N ATOM 0 H ASN A 16 -109.686 -48.092 -8.767 1.00 16.87 H new ATOM 0 HA ASN A 16 -107.203 -49.112 -9.558 1.00 17.01 H new ATOM 0 HB2 ASN A 16 -110.069 -49.849 -9.772 1.00 17.36 H new ATOM 0 HB3 ASN A 16 -109.059 -50.515 -11.040 1.00 17.36 H new ATOM 0 HD21 ASN A 16 -108.422 -51.623 -7.097 1.00 17.15 H new ATOM 0 HD22 ASN A 16 -109.191 -50.082 -7.492 1.00 17.15 H new ATOM 255 N ARG A 17 -108.984 -47.654 -11.919 1.00 17.84 N ATOM 256 CA ARG A 17 -108.936 -47.082 -13.258 1.00 18.36 C ATOM 257 C ARG A 17 -107.843 -46.028 -13.352 1.00 18.04 C ATOM 258 O ARG A 17 -107.147 -45.931 -14.361 1.00 18.25 O ATOM 259 CB ARG A 17 -110.282 -46.451 -13.621 1.00 19.06 C ATOM 260 CG ARG A 17 -111.383 -47.463 -13.893 1.00 19.37 C ATOM 261 CD ARG A 17 -112.708 -47.031 -13.280 1.00 19.91 C ATOM 262 NE ARG A 17 -112.888 -45.579 -13.303 1.00 20.74 N ATOM 263 CZ ARG A 17 -114.007 -44.970 -13.688 1.00 21.41 C ATOM 264 NH1 ARG A 17 -115.054 -45.675 -14.100 1.00 21.38 N ATOM 265 NH2 ARG A 17 -114.074 -43.646 -13.655 1.00 22.20 N ATOM 0 H ARG A 17 -109.855 -47.476 -11.419 1.00 17.84 H new ATOM 0 HA ARG A 17 -108.717 -47.887 -13.959 1.00 18.36 H new ATOM 0 HB2 ARG A 17 -110.596 -45.796 -12.808 1.00 19.06 H new ATOM 0 HB3 ARG A 17 -110.152 -45.824 -14.503 1.00 19.06 H new ATOM 0 HG2 ARG A 17 -111.504 -47.589 -14.969 1.00 19.37 H new ATOM 0 HG3 ARG A 17 -111.094 -48.433 -13.489 1.00 19.37 H new ATOM 0 HD2 ARG A 17 -113.527 -47.504 -13.822 1.00 19.91 H new ATOM 0 HD3 ARG A 17 -112.761 -47.384 -12.250 1.00 19.91 H new ATOM 0 HE ARG A 17 -112.106 -44.996 -13.005 1.00 20.74 H new ATOM 0 HH11 ARG A 17 -115.006 -46.694 -14.124 1.00 21.38 H new ATOM 0 HH12 ARG A 17 -115.907 -45.198 -14.393 1.00 21.38 H new ATOM 0 HH21 ARG A 17 -113.272 -43.103 -13.336 1.00 22.20 H new ATOM 0 HH22 ARG A 17 -114.928 -43.171 -13.948 1.00 22.20 H new ATOM 279 N ASN A 18 -107.701 -45.239 -12.295 1.00 17.62 N ATOM 280 CA ASN A 18 -106.681 -44.196 -12.255 1.00 17.37 C ATOM 281 C ASN A 18 -105.292 -44.800 -12.109 1.00 16.66 C ATOM 282 O ASN A 18 -104.319 -44.288 -12.664 1.00 16.34 O ATOM 283 CB ASN A 18 -106.951 -43.224 -11.106 1.00 17.47 C ATOM 284 CG ASN A 18 -106.491 -41.814 -11.427 1.00 17.64 C ATOM 285 OD1 ASN A 18 -105.943 -41.554 -12.500 1.00 17.99 O ATOM 286 ND2 ASN A 18 -106.721 -40.894 -10.507 1.00 17.50 N ATOM 0 H ASN A 18 -108.277 -45.300 -11.455 1.00 17.62 H new ATOM 0 HA ASN A 18 -106.724 -43.649 -13.197 1.00 17.37 H new ATOM 0 HB2 ASN A 18 -108.018 -43.214 -10.884 1.00 17.47 H new ATOM 0 HB3 ASN A 18 -106.442 -43.575 -10.208 1.00 17.47 H new ATOM 0 HD21 ASN A 18 -106.442 -39.927 -10.672 1.00 17.50 H new ATOM 0 HD22 ASN A 18 -107.177 -41.151 -9.632 1.00 17.50 H new ATOM 700 N ALA A 44 -55.773 -21.267 -21.376 1.00 11.18 N ATOM 701 CA ALA A 44 -55.688 -20.440 -20.185 1.00 10.95 C ATOM 702 C ALA A 44 -56.028 -21.275 -18.955 1.00 11.14 C ATOM 703 O ALA A 44 -57.201 -21.524 -18.677 1.00 11.37 O ATOM 704 CB ALA A 44 -56.619 -19.243 -20.301 1.00 10.91 C ATOM 0 HA ALA A 44 -54.670 -20.064 -20.083 1.00 10.95 H new ATOM 0 HB1 ALA A 44 -56.543 -18.634 -19.400 1.00 10.91 H new ATOM 0 HB2 ALA A 44 -56.337 -18.645 -21.168 1.00 10.91 H new ATOM 0 HB3 ALA A 44 -57.645 -19.590 -20.418 1.00 10.91 H new ATOM 710 N PRO A 45 -54.996 -21.730 -18.226 1.00 11.20 N ATOM 711 CA PRO A 45 -55.144 -22.612 -17.062 1.00 11.61 C ATOM 712 C PRO A 45 -56.205 -22.133 -16.077 1.00 11.90 C ATOM 713 O PRO A 45 -57.212 -22.813 -15.847 1.00 12.39 O ATOM 714 CB PRO A 45 -53.754 -22.586 -16.398 1.00 11.62 C ATOM 715 CG PRO A 45 -52.968 -21.546 -17.128 1.00 11.27 C ATOM 716 CD PRO A 45 -53.586 -21.425 -18.484 1.00 11.04 C ATOM 0 HA PRO A 45 -55.472 -23.606 -17.365 1.00 11.61 H new ATOM 0 HB2 PRO A 45 -53.832 -22.343 -15.338 1.00 11.62 H new ATOM 0 HB3 PRO A 45 -53.270 -23.560 -16.467 1.00 11.62 H new ATOM 0 HG2 PRO A 45 -53.000 -20.593 -16.600 1.00 11.27 H new ATOM 0 HG3 PRO A 45 -51.919 -21.833 -17.203 1.00 11.27 H new ATOM 0 HD2 PRO A 45 -53.458 -20.425 -18.899 1.00 11.04 H new ATOM 0 HD3 PRO A 45 -53.144 -22.124 -19.194 1.00 11.04 H new ATOM 724 N TYR A 46 -55.974 -20.967 -15.497 1.00 11.78 N ATOM 725 CA TYR A 46 -56.894 -20.394 -14.529 1.00 12.25 C ATOM 726 C TYR A 46 -57.794 -19.369 -15.206 1.00 12.17 C ATOM 727 O TYR A 46 -58.084 -19.477 -16.397 1.00 12.24 O ATOM 728 CB TYR A 46 -56.115 -19.724 -13.389 1.00 12.71 C ATOM 729 CG TYR A 46 -54.920 -20.511 -12.899 1.00 13.40 C ATOM 730 CD1 TYR A 46 -55.062 -21.506 -11.938 1.00 13.96 C ATOM 731 CD2 TYR A 46 -53.650 -20.270 -13.408 1.00 13.66 C ATOM 732 CE1 TYR A 46 -53.975 -22.234 -11.498 1.00 14.73 C ATOM 733 CE2 TYR A 46 -52.558 -20.992 -12.971 1.00 14.45 C ATOM 734 CZ TYR A 46 -52.722 -21.943 -11.979 1.00 14.98 C ATOM 735 OH TYR A 46 -51.637 -22.702 -11.589 1.00 15.86 O ATOM 0 H TYR A 46 -55.150 -20.395 -15.682 1.00 11.78 H new ATOM 0 HA TYR A 46 -57.509 -21.194 -14.117 1.00 12.25 H new ATOM 0 HB2 TYR A 46 -55.776 -18.744 -13.725 1.00 12.71 H new ATOM 0 HB3 TYR A 46 -56.793 -19.557 -12.552 1.00 12.71 H new ATOM 0 HD1 TYR A 46 -56.040 -21.713 -11.529 1.00 13.96 H new ATOM 0 HD2 TYR A 46 -53.515 -19.505 -14.158 1.00 13.66 H new ATOM 0 HE1 TYR A 46 -54.109 -23.029 -10.779 1.00 14.73 H new ATOM 0 HE2 TYR A 46 -51.583 -20.816 -13.400 1.00 14.45 H new ATOM 0 HH TYR A 46 -50.827 -22.362 -12.023 1.00 15.86 H new ATOM 745 N SER A 47 -58.233 -18.377 -14.447 1.00 12.21 N ATOM 746 CA SER A 47 -58.972 -17.260 -15.011 1.00 12.38 C ATOM 747 C SER A 47 -58.033 -16.393 -15.846 1.00 11.92 C ATOM 748 O SER A 47 -58.460 -15.687 -16.763 1.00 11.98 O ATOM 749 CB SER A 47 -59.600 -16.445 -13.883 1.00 12.96 C ATOM 750 OG SER A 47 -59.495 -17.138 -12.648 1.00 13.21 O ATOM 0 H SER A 47 -58.090 -18.323 -13.439 1.00 12.21 H new ATOM 0 HA SER A 47 -59.767 -17.632 -15.658 1.00 12.38 H new ATOM 0 HB2 SER A 47 -59.104 -15.477 -13.807 1.00 12.96 H new ATOM 0 HB3 SER A 47 -60.648 -16.249 -14.108 1.00 12.96 H new ATOM 0 HG SER A 47 -59.901 -16.601 -11.936 1.00 13.21 H new ATOM 756 N ARG A 48 -56.750 -16.465 -15.515 1.00 11.60 N ATOM 757 CA ARG A 48 -55.713 -15.777 -16.262 1.00 11.33 C ATOM 758 C ARG A 48 -54.380 -16.499 -16.087 1.00 10.91 C ATOM 759 O ARG A 48 -53.943 -16.736 -14.960 1.00 10.95 O ATOM 760 CB ARG A 48 -55.585 -14.326 -15.791 1.00 11.76 C ATOM 761 CG ARG A 48 -55.276 -13.350 -16.913 1.00 12.38 C ATOM 762 CD ARG A 48 -56.294 -12.223 -16.964 1.00 12.85 C ATOM 763 NE ARG A 48 -55.810 -11.017 -16.292 1.00 12.95 N ATOM 764 CZ ARG A 48 -55.119 -10.048 -16.894 1.00 13.65 C ATOM 765 NH1 ARG A 48 -54.854 -10.117 -18.193 1.00 14.27 N ATOM 766 NH2 ARG A 48 -54.696 -9.003 -16.199 1.00 13.88 N ATOM 0 H ARG A 48 -56.402 -17.003 -14.721 1.00 11.60 H new ATOM 0 HA ARG A 48 -55.986 -15.778 -17.317 1.00 11.33 H new ATOM 0 HB2 ARG A 48 -56.514 -14.027 -15.305 1.00 11.76 H new ATOM 0 HB3 ARG A 48 -54.798 -14.264 -15.039 1.00 11.76 H new ATOM 0 HG2 ARG A 48 -54.278 -12.935 -16.771 1.00 12.38 H new ATOM 0 HG3 ARG A 48 -55.269 -13.879 -17.866 1.00 12.38 H new ATOM 0 HD2 ARG A 48 -56.526 -11.991 -18.003 1.00 12.85 H new ATOM 0 HD3 ARG A 48 -57.222 -12.551 -16.496 1.00 12.85 H new ATOM 0 HE ARG A 48 -56.014 -10.910 -15.298 1.00 12.95 H new ATOM 0 HH11 ARG A 48 -55.179 -10.915 -18.738 1.00 14.27 H new ATOM 0 HH12 ARG A 48 -54.325 -9.372 -18.646 1.00 14.27 H new ATOM 0 HH21 ARG A 48 -54.899 -8.938 -15.201 1.00 13.88 H new ATOM 0 HH22 ARG A 48 -54.168 -8.263 -16.661 1.00 13.88 H new ATOM 780 N PRO A 49 -53.739 -16.894 -17.199 1.00 10.69 N ATOM 781 CA PRO A 49 -52.410 -17.516 -17.171 1.00 10.51 C ATOM 782 C PRO A 49 -51.335 -16.553 -16.674 1.00 10.52 C ATOM 783 O PRO A 49 -51.547 -15.338 -16.621 1.00 10.80 O ATOM 784 CB PRO A 49 -52.140 -17.886 -18.634 1.00 10.63 C ATOM 785 CG PRO A 49 -53.460 -17.805 -19.319 1.00 10.68 C ATOM 786 CD PRO A 49 -54.265 -16.787 -18.566 1.00 10.80 C ATOM 0 HA PRO A 49 -52.384 -18.368 -16.492 1.00 10.51 H new ATOM 0 HB2 PRO A 49 -51.422 -17.201 -19.085 1.00 10.63 H new ATOM 0 HB3 PRO A 49 -51.718 -18.888 -18.713 1.00 10.63 H new ATOM 0 HG2 PRO A 49 -53.339 -17.511 -20.362 1.00 10.68 H new ATOM 0 HG3 PRO A 49 -53.959 -18.774 -19.317 1.00 10.68 H new ATOM 0 HD2 PRO A 49 -54.130 -15.785 -18.973 1.00 10.80 H new ATOM 0 HD3 PRO A 49 -55.332 -17.006 -18.606 1.00 10.80 H new ATOM 794 N LYS A 50 -50.187 -17.097 -16.303 1.00 10.36 N ATOM 795 CA LYS A 50 -49.064 -16.282 -15.861 1.00 10.37 C ATOM 796 C LYS A 50 -47.850 -16.530 -16.749 1.00 10.32 C ATOM 797 O LYS A 50 -47.333 -17.645 -16.801 1.00 10.35 O ATOM 798 CB LYS A 50 -48.705 -16.579 -14.401 1.00 10.47 C ATOM 799 CG LYS A 50 -49.883 -17.005 -13.536 1.00 10.65 C ATOM 800 CD LYS A 50 -49.694 -18.412 -12.989 1.00 10.86 C ATOM 801 CE LYS A 50 -48.880 -18.409 -11.703 1.00 11.05 C ATOM 802 NZ LYS A 50 -48.005 -19.607 -11.598 1.00 11.40 N ATOM 0 H LYS A 50 -50.007 -18.101 -16.299 1.00 10.36 H new ATOM 0 HA LYS A 50 -49.360 -15.236 -15.937 1.00 10.37 H new ATOM 0 HB2 LYS A 50 -47.951 -17.365 -14.378 1.00 10.47 H new ATOM 0 HB3 LYS A 50 -48.252 -15.690 -13.963 1.00 10.47 H new ATOM 0 HG2 LYS A 50 -50.000 -16.305 -12.709 1.00 10.65 H new ATOM 0 HG3 LYS A 50 -50.801 -16.962 -14.123 1.00 10.65 H new ATOM 0 HD2 LYS A 50 -50.668 -18.864 -12.803 1.00 10.86 H new ATOM 0 HD3 LYS A 50 -49.194 -19.029 -13.735 1.00 10.86 H new ATOM 0 HE2 LYS A 50 -48.268 -17.508 -11.663 1.00 11.05 H new ATOM 0 HE3 LYS A 50 -49.554 -18.375 -10.847 1.00 11.05 H new ATOM 0 HZ1 LYS A 50 -47.467 -19.567 -10.709 1.00 11.40 H new ATOM 0 HZ2 LYS A 50 -48.590 -20.467 -11.611 1.00 11.40 H new ATOM 0 HZ3 LYS A 50 -47.345 -19.626 -12.401 1.00 11.40 H new ATOM 816 N PRO A 51 -47.390 -15.495 -17.467 1.00 10.48 N ATOM 817 CA PRO A 51 -46.200 -15.594 -18.315 1.00 10.66 C ATOM 818 C PRO A 51 -44.940 -15.816 -17.485 1.00 10.49 C ATOM 819 O PRO A 51 -44.014 -16.503 -17.918 1.00 10.76 O ATOM 820 CB PRO A 51 -46.145 -14.241 -19.032 1.00 11.11 C ATOM 821 CG PRO A 51 -46.947 -13.313 -18.183 1.00 11.13 C ATOM 822 CD PRO A 51 -47.996 -14.156 -17.511 1.00 10.75 C ATOM 0 HA PRO A 51 -46.252 -16.438 -19.002 1.00 10.66 H new ATOM 0 HB2 PRO A 51 -45.118 -13.892 -19.135 1.00 11.11 H new ATOM 0 HB3 PRO A 51 -46.560 -14.312 -20.038 1.00 11.11 H new ATOM 0 HG2 PRO A 51 -46.316 -12.817 -17.446 1.00 11.13 H new ATOM 0 HG3 PRO A 51 -47.406 -12.531 -18.788 1.00 11.13 H new ATOM 0 HD2 PRO A 51 -48.226 -13.787 -16.511 1.00 10.75 H new ATOM 0 HD3 PRO A 51 -48.930 -14.157 -18.073 1.00 10.75 H new ATOM 1136 N GLY A 74 -4.195 5.327 -7.822 1.00 10.27 N ATOM 1137 CA GLY A 74 -4.264 6.328 -6.775 1.00 10.44 C ATOM 1138 C GLY A 74 -2.930 7.009 -6.550 1.00 10.53 C ATOM 1139 O GLY A 74 -2.659 8.059 -7.121 1.00 10.94 O ATOM 0 HA2 GLY A 74 -5.013 7.076 -7.037 1.00 10.44 H new ATOM 0 HA3 GLY A 74 -4.593 5.860 -5.847 1.00 10.44 H new ATOM 1143 N ALA A 75 -2.102 6.412 -5.712 1.00 10.31 N ATOM 1144 CA ALA A 75 -0.765 6.923 -5.459 1.00 10.45 C ATOM 1145 C ALA A 75 0.234 5.775 -5.441 1.00 10.02 C ATOM 1146 O ALA A 75 0.103 4.854 -4.634 1.00 9.68 O ATOM 1147 CB ALA A 75 -0.735 7.686 -4.141 1.00 10.74 C ATOM 0 H ALA A 75 -2.334 5.566 -5.191 1.00 10.31 H new ATOM 0 HA ALA A 75 -0.488 7.611 -6.258 1.00 10.45 H new ATOM 0 HB1 ALA A 75 0.272 8.064 -3.962 1.00 10.74 H new ATOM 0 HB2 ALA A 75 -1.433 8.522 -4.188 1.00 10.74 H new ATOM 0 HB3 ALA A 75 -1.022 7.019 -3.328 1.00 10.74 H new ATOM 1153 N LYS A 76 1.224 5.823 -6.327 1.00 10.22 N ATOM 1154 CA LYS A 76 2.173 4.724 -6.460 1.00 9.99 C ATOM 1155 C LYS A 76 3.499 5.048 -5.782 1.00 10.09 C ATOM 1156 O LYS A 76 4.167 6.027 -6.119 1.00 10.63 O ATOM 1157 CB LYS A 76 2.409 4.407 -7.939 1.00 10.41 C ATOM 1158 CG LYS A 76 3.441 3.316 -8.174 1.00 10.50 C ATOM 1159 CD LYS A 76 4.019 3.390 -9.575 1.00 11.20 C ATOM 1160 CE LYS A 76 4.393 2.013 -10.094 1.00 11.56 C ATOM 1161 NZ LYS A 76 3.388 1.491 -11.055 1.00 11.62 N ATOM 0 H LYS A 76 1.389 6.606 -6.960 1.00 10.22 H new ATOM 0 HA LYS A 76 1.744 3.852 -5.966 1.00 9.99 H new ATOM 0 HB2 LYS A 76 1.465 4.105 -8.392 1.00 10.41 H new ATOM 0 HB3 LYS A 76 2.731 5.315 -8.449 1.00 10.41 H new ATOM 0 HG2 LYS A 76 4.244 3.409 -7.443 1.00 10.50 H new ATOM 0 HG3 LYS A 76 2.981 2.340 -8.020 1.00 10.50 H new ATOM 0 HD2 LYS A 76 3.293 3.848 -10.246 1.00 11.20 H new ATOM 0 HD3 LYS A 76 4.900 4.031 -9.573 1.00 11.20 H new ATOM 0 HE2 LYS A 76 5.368 2.060 -10.579 1.00 11.56 H new ATOM 0 HE3 LYS A 76 4.487 1.322 -9.256 1.00 11.56 H new ATOM 0 HZ1 LYS A 76 3.680 0.549 -11.386 1.00 11.62 H new ATOM 0 HZ2 LYS A 76 2.462 1.421 -10.586 1.00 11.62 H new ATOM 0 HZ3 LYS A 76 3.317 2.136 -11.867 1.00 11.62 H new ATOM 1175 N LEU A 77 3.851 4.222 -4.810 1.00 9.69 N ATOM 1176 CA LEU A 77 5.093 4.363 -4.070 1.00 9.77 C ATOM 1177 C LEU A 77 6.048 3.225 -4.427 1.00 9.68 C ATOM 1178 O LEU A 77 5.679 2.051 -4.362 1.00 9.42 O ATOM 1179 CB LEU A 77 4.760 4.352 -2.563 1.00 9.58 C ATOM 1180 CG LEU A 77 5.922 4.227 -1.553 1.00 9.63 C ATOM 1181 CD1 LEU A 77 6.420 2.796 -1.434 1.00 9.26 C ATOM 1182 CD2 LEU A 77 7.062 5.169 -1.904 1.00 10.17 C ATOM 0 H LEU A 77 3.280 3.431 -4.511 1.00 9.69 H new ATOM 0 HA LEU A 77 5.585 5.301 -4.328 1.00 9.77 H new ATOM 0 HB2 LEU A 77 4.221 5.272 -2.336 1.00 9.58 H new ATOM 0 HB3 LEU A 77 4.072 3.526 -2.381 1.00 9.58 H new ATOM 0 HG LEU A 77 5.529 4.518 -0.579 1.00 9.63 H new ATOM 0 HD11 LEU A 77 7.237 2.754 -0.714 1.00 9.26 H new ATOM 0 HD12 LEU A 77 5.606 2.154 -1.097 1.00 9.26 H new ATOM 0 HD13 LEU A 77 6.775 2.452 -2.406 1.00 9.26 H new ATOM 0 HD21 LEU A 77 7.864 5.057 -1.175 1.00 10.17 H new ATOM 0 HD22 LEU A 77 7.439 4.929 -2.898 1.00 10.17 H new ATOM 0 HD23 LEU A 77 6.701 6.197 -1.892 1.00 10.17 H new ATOM 1194 N LEU A 78 7.264 3.577 -4.814 1.00 10.10 N ATOM 1195 CA LEU A 78 8.306 2.590 -5.044 1.00 10.21 C ATOM 1196 C LEU A 78 9.418 2.738 -4.011 1.00 10.19 C ATOM 1197 O LEU A 78 10.181 3.705 -4.047 1.00 10.62 O ATOM 1198 CB LEU A 78 8.889 2.735 -6.451 1.00 10.97 C ATOM 1199 CG LEU A 78 7.865 2.949 -7.564 1.00 11.03 C ATOM 1200 CD1 LEU A 78 8.526 3.585 -8.774 1.00 11.63 C ATOM 1201 CD2 LEU A 78 7.210 1.630 -7.943 1.00 10.95 C ATOM 0 H LEU A 78 7.554 4.542 -4.976 1.00 10.10 H new ATOM 0 HA LEU A 78 7.859 1.600 -4.948 1.00 10.21 H new ATOM 0 HB2 LEU A 78 9.584 3.574 -6.453 1.00 10.97 H new ATOM 0 HB3 LEU A 78 9.468 1.841 -6.680 1.00 10.97 H new ATOM 0 HG LEU A 78 7.091 3.624 -7.200 1.00 11.03 H new ATOM 0 HD11 LEU A 78 7.784 3.731 -9.559 1.00 11.63 H new ATOM 0 HD12 LEU A 78 8.951 4.548 -8.492 1.00 11.63 H new ATOM 0 HD13 LEU A 78 9.318 2.932 -9.141 1.00 11.63 H new ATOM 0 HD21 LEU A 78 6.483 1.800 -8.737 1.00 10.95 H new ATOM 0 HD22 LEU A 78 7.972 0.932 -8.291 1.00 10.95 H new ATOM 0 HD23 LEU A 78 6.705 1.211 -7.073 1.00 10.95 H new ATOM 1213 N VAL A 79 9.495 1.792 -3.084 1.00 9.81 N ATOM 1214 CA VAL A 79 10.574 1.768 -2.100 1.00 9.81 C ATOM 1215 C VAL A 79 11.603 0.720 -2.481 1.00 10.08 C ATOM 1216 O VAL A 79 11.252 -0.427 -2.705 1.00 10.09 O ATOM 1217 CB VAL A 79 10.068 1.438 -0.680 1.00 9.37 C ATOM 1218 CG1 VAL A 79 9.579 2.683 0.034 1.00 9.42 C ATOM 1219 CG2 VAL A 79 8.974 0.393 -0.734 1.00 9.16 C ATOM 0 H VAL A 79 8.823 1.030 -2.991 1.00 9.81 H new ATOM 0 HA VAL A 79 11.011 2.767 -2.095 1.00 9.81 H new ATOM 0 HB VAL A 79 10.907 1.035 -0.113 1.00 9.37 H new ATOM 0 HG11 VAL A 79 9.229 2.417 1.031 1.00 9.42 H new ATOM 0 HG12 VAL A 79 10.396 3.400 0.115 1.00 9.42 H new ATOM 0 HG13 VAL A 79 8.760 3.128 -0.531 1.00 9.42 H new ATOM 0 HG21 VAL A 79 8.630 0.174 0.277 1.00 9.16 H new ATOM 0 HG22 VAL A 79 8.140 0.769 -1.327 1.00 9.16 H new ATOM 0 HG23 VAL A 79 9.363 -0.517 -1.191 1.00 9.16 H new ATOM 1229 N SER A 80 12.850 1.132 -2.627 1.00 10.48 N ATOM 1230 CA SER A 80 13.935 0.188 -2.870 1.00 10.87 C ATOM 1231 C SER A 80 15.223 0.633 -2.179 1.00 10.93 C ATOM 1232 O SER A 80 15.296 1.748 -1.657 1.00 11.28 O ATOM 1233 CB SER A 80 14.160 0.017 -4.374 1.00 11.70 C ATOM 1234 OG SER A 80 13.682 1.145 -5.091 1.00 11.92 O ATOM 0 H SER A 80 13.139 2.109 -2.582 1.00 10.48 H new ATOM 0 HA SER A 80 13.648 -0.775 -2.446 1.00 10.87 H new ATOM 0 HB2 SER A 80 15.223 -0.121 -4.573 1.00 11.70 H new ATOM 0 HB3 SER A 80 13.651 -0.882 -4.722 1.00 11.70 H new ATOM 0 HG SER A 80 13.838 1.014 -6.050 1.00 11.92 H new ATOM 1240 N ASN A 81 16.202 -0.276 -2.132 1.00 10.71 N ATOM 1241 CA ASN A 81 17.545 0.016 -1.613 1.00 10.82 C ATOM 1242 C ASN A 81 17.567 -0.012 -0.089 1.00 11.07 C ATOM 1243 O ASN A 81 18.021 0.934 0.553 1.00 11.33 O ATOM 1244 CB ASN A 81 18.070 1.369 -2.121 1.00 10.85 C ATOM 1245 CG ASN A 81 18.901 1.246 -3.385 1.00 11.09 C ATOM 1246 OD1 ASN A 81 18.964 0.184 -4.007 1.00 11.13 O ATOM 1247 ND2 ASN A 81 19.549 2.333 -3.774 1.00 11.43 N ATOM 0 H ASN A 81 16.087 -1.237 -2.453 1.00 10.71 H new ATOM 0 HA ASN A 81 18.205 -0.767 -1.986 1.00 10.82 H new ATOM 0 HB2 ASN A 81 17.226 2.032 -2.311 1.00 10.85 H new ATOM 0 HB3 ASN A 81 18.672 1.835 -1.341 1.00 10.85 H new ATOM 0 HD21 ASN A 81 20.125 2.310 -4.615 1.00 11.43 H new ATOM 0 HD22 ASN A 81 19.472 3.194 -3.232 1.00 11.43 H new ATOM 1254 N LEU A 82 17.082 -1.103 0.483 1.00 11.17 N ATOM 1255 CA LEU A 82 17.109 -1.280 1.927 1.00 11.63 C ATOM 1256 C LEU A 82 17.967 -2.481 2.291 1.00 11.86 C ATOM 1257 O LEU A 82 17.997 -3.475 1.565 1.00 12.01 O ATOM 1258 CB LEU A 82 15.697 -1.480 2.485 1.00 12.01 C ATOM 1259 CG LEU A 82 14.960 -0.207 2.907 1.00 12.36 C ATOM 1260 CD1 LEU A 82 15.908 0.768 3.594 1.00 12.48 C ATOM 1261 CD2 LEU A 82 14.296 0.445 1.705 1.00 12.61 C ATOM 0 H LEU A 82 16.665 -1.879 -0.030 1.00 11.17 H new ATOM 0 HA LEU A 82 17.534 -0.377 2.366 1.00 11.63 H new ATOM 0 HB2 LEU A 82 15.098 -1.991 1.731 1.00 12.01 H new ATOM 0 HB3 LEU A 82 15.758 -2.144 3.347 1.00 12.01 H new ATOM 0 HG LEU A 82 14.185 -0.482 3.622 1.00 12.36 H new ATOM 0 HD11 LEU A 82 15.360 1.665 3.884 1.00 12.48 H new ATOM 0 HD12 LEU A 82 16.332 0.299 4.482 1.00 12.48 H new ATOM 0 HD13 LEU A 82 16.711 1.039 2.908 1.00 12.48 H new ATOM 0 HD21 LEU A 82 13.776 1.349 2.022 1.00 12.61 H new ATOM 0 HD22 LEU A 82 15.054 0.703 0.966 1.00 12.61 H new ATOM 0 HD23 LEU A 82 13.581 -0.249 1.264 1.00 12.61 H new ATOM 1273 N ASP A 83 18.656 -2.395 3.415 1.00 12.07 N ATOM 1274 CA ASP A 83 19.486 -3.499 3.879 1.00 12.45 C ATOM 1275 C ASP A 83 18.813 -4.217 5.038 1.00 12.57 C ATOM 1276 O ASP A 83 19.326 -5.210 5.561 1.00 13.12 O ATOM 1277 CB ASP A 83 20.867 -2.997 4.302 1.00 12.62 C ATOM 1278 CG ASP A 83 21.952 -4.017 4.030 1.00 13.10 C ATOM 1279 OD1 ASP A 83 22.064 -4.474 2.873 1.00 13.12 O ATOM 1280 OD2 ASP A 83 22.702 -4.365 4.964 1.00 13.59 O ATOM 0 H ASP A 83 18.659 -1.576 4.023 1.00 12.07 H new ATOM 0 HA ASP A 83 19.611 -4.201 3.055 1.00 12.45 H new ATOM 0 HB2 ASP A 83 21.096 -2.074 3.769 1.00 12.62 H new ATOM 0 HB3 ASP A 83 20.855 -2.756 5.365 1.00 12.62 H new ATOM 1285 N PHE A 84 17.645 -3.715 5.419 1.00 12.22 N ATOM 1286 CA PHE A 84 16.889 -4.274 6.534 1.00 12.46 C ATOM 1287 C PHE A 84 16.224 -5.592 6.147 1.00 12.41 C ATOM 1288 O PHE A 84 15.757 -6.334 7.008 1.00 12.73 O ATOM 1289 CB PHE A 84 15.826 -3.278 7.003 1.00 12.51 C ATOM 1290 CG PHE A 84 16.264 -2.424 8.159 1.00 12.50 C ATOM 1291 CD1 PHE A 84 16.761 -3.003 9.314 1.00 12.45 C ATOM 1292 CD2 PHE A 84 16.180 -1.042 8.087 1.00 12.69 C ATOM 1293 CE1 PHE A 84 17.167 -2.221 10.379 1.00 12.59 C ATOM 1294 CE2 PHE A 84 16.584 -0.255 9.149 1.00 12.83 C ATOM 1295 CZ PHE A 84 17.071 -0.841 10.295 1.00 12.79 C ATOM 0 H PHE A 84 17.198 -2.916 4.969 1.00 12.22 H new ATOM 0 HA PHE A 84 17.588 -4.469 7.347 1.00 12.46 H new ATOM 0 HB2 PHE A 84 15.554 -2.632 6.169 1.00 12.51 H new ATOM 0 HB3 PHE A 84 14.928 -3.826 7.288 1.00 12.51 H new ATOM 0 HD1 PHE A 84 16.832 -4.078 9.384 1.00 12.45 H new ATOM 0 HD2 PHE A 84 15.795 -0.576 7.192 1.00 12.69 H new ATOM 0 HE1 PHE A 84 17.558 -2.684 11.273 1.00 12.59 H new ATOM 0 HE2 PHE A 84 16.517 0.821 9.079 1.00 12.83 H new ATOM 0 HZ PHE A 84 17.378 -0.226 11.128 1.00 12.79 H new ATOM 1305 N GLY A 85 16.182 -5.873 4.849 1.00 12.18 N ATOM 1306 CA GLY A 85 15.550 -7.091 4.373 1.00 12.33 C ATOM 1307 C GLY A 85 14.065 -7.113 4.669 1.00 12.00 C ATOM 1308 O GLY A 85 13.508 -8.151 5.023 1.00 12.39 O ATOM 0 H GLY A 85 16.574 -5.280 4.118 1.00 12.18 H new ATOM 0 HA2 GLY A 85 15.707 -7.185 3.298 1.00 12.33 H new ATOM 0 HA3 GLY A 85 16.026 -7.953 4.841 1.00 12.33 H new ATOM 1312 N VAL A 86 13.430 -5.956 4.533 1.00 11.43 N ATOM 1313 CA VAL A 86 12.007 -5.825 4.816 1.00 11.18 C ATOM 1314 C VAL A 86 11.174 -6.606 3.805 1.00 11.50 C ATOM 1315 O VAL A 86 11.294 -6.406 2.596 1.00 11.42 O ATOM 1316 CB VAL A 86 11.555 -4.347 4.825 1.00 10.44 C ATOM 1317 CG1 VAL A 86 11.682 -3.761 6.223 1.00 10.36 C ATOM 1318 CG2 VAL A 86 12.352 -3.521 3.826 1.00 10.15 C ATOM 0 H VAL A 86 13.880 -5.093 4.228 1.00 11.43 H new ATOM 0 HA VAL A 86 11.845 -6.239 5.811 1.00 11.18 H new ATOM 0 HB VAL A 86 10.507 -4.314 4.526 1.00 10.44 H new ATOM 0 HG11 VAL A 86 11.360 -2.720 6.212 1.00 10.36 H new ATOM 0 HG12 VAL A 86 11.056 -4.327 6.913 1.00 10.36 H new ATOM 0 HG13 VAL A 86 12.721 -3.816 6.547 1.00 10.36 H new ATOM 0 HG21 VAL A 86 12.011 -2.486 3.856 1.00 10.15 H new ATOM 0 HG22 VAL A 86 13.411 -3.562 4.083 1.00 10.15 H new ATOM 0 HG23 VAL A 86 12.206 -3.923 2.823 1.00 10.15 H new ATOM 1328 N SER A 87 10.348 -7.504 4.315 1.00 12.04 N ATOM 1329 CA SER A 87 9.500 -8.337 3.477 1.00 12.55 C ATOM 1330 C SER A 87 8.173 -7.642 3.177 1.00 12.18 C ATOM 1331 O SER A 87 8.000 -6.456 3.476 1.00 11.57 O ATOM 1332 CB SER A 87 9.245 -9.674 4.171 1.00 13.39 C ATOM 1333 OG SER A 87 10.215 -9.919 5.178 1.00 13.46 O ATOM 0 H SER A 87 10.246 -7.676 5.315 1.00 12.04 H new ATOM 0 HA SER A 87 10.013 -8.510 2.531 1.00 12.55 H new ATOM 0 HB2 SER A 87 8.249 -9.674 4.613 1.00 13.39 H new ATOM 0 HB3 SER A 87 9.267 -10.479 3.436 1.00 13.39 H new ATOM 0 HG SER A 87 9.947 -9.470 6.007 1.00 13.46 H new ATOM 1339 N ASP A 88 7.241 -8.396 2.606 1.00 12.66 N ATOM 1340 CA ASP A 88 5.923 -7.880 2.238 1.00 12.44 C ATOM 1341 C ASP A 88 5.173 -7.359 3.457 1.00 12.35 C ATOM 1342 O ASP A 88 4.724 -6.212 3.479 1.00 11.82 O ATOM 1343 CB ASP A 88 5.098 -8.970 1.533 1.00 13.21 C ATOM 1344 CG ASP A 88 4.873 -10.214 2.382 1.00 13.68 C ATOM 1345 OD1 ASP A 88 5.766 -10.574 3.184 1.00 13.63 O ATOM 1346 OD2 ASP A 88 3.800 -10.835 2.254 1.00 14.23 O ATOM 0 H ASP A 88 7.375 -9.382 2.384 1.00 12.66 H new ATOM 0 HA ASP A 88 6.071 -7.047 1.551 1.00 12.44 H new ATOM 0 HB2 ASP A 88 4.131 -8.555 1.250 1.00 13.21 H new ATOM 0 HB3 ASP A 88 5.604 -9.257 0.611 1.00 13.21 H new ATOM 1351 N ALA A 89 5.061 -8.200 4.476 1.00 13.02 N ATOM 1352 CA ALA A 89 4.369 -7.833 5.699 1.00 13.24 C ATOM 1353 C ALA A 89 5.096 -6.707 6.413 1.00 12.75 C ATOM 1354 O ALA A 89 4.479 -5.907 7.112 1.00 12.82 O ATOM 1355 CB ALA A 89 4.232 -9.042 6.609 1.00 14.29 C ATOM 0 H ALA A 89 5.444 -9.146 4.477 1.00 13.02 H new ATOM 0 HA ALA A 89 3.372 -7.479 5.437 1.00 13.24 H new ATOM 0 HB1 ALA A 89 3.712 -8.753 7.522 1.00 14.29 H new ATOM 0 HB2 ALA A 89 3.664 -9.819 6.098 1.00 14.29 H new ATOM 0 HB3 ALA A 89 5.222 -9.422 6.861 1.00 14.29 H new ATOM 1361 N ASP A 90 6.407 -6.640 6.215 1.00 12.38 N ATOM 1362 CA ASP A 90 7.229 -5.613 6.850 1.00 12.03 C ATOM 1363 C ASP A 90 6.913 -4.242 6.269 1.00 11.35 C ATOM 1364 O ASP A 90 6.477 -3.340 6.986 1.00 11.52 O ATOM 1365 CB ASP A 90 8.715 -5.915 6.663 1.00 11.82 C ATOM 1366 CG ASP A 90 9.203 -7.038 7.551 1.00 12.43 C ATOM 1367 OD1 ASP A 90 9.151 -6.890 8.786 1.00 12.67 O ATOM 1368 OD2 ASP A 90 9.648 -8.075 7.012 1.00 12.76 O ATOM 0 H ASP A 90 6.926 -7.285 5.619 1.00 12.38 H new ATOM 0 HA ASP A 90 6.999 -5.613 7.916 1.00 12.03 H new ATOM 0 HB2 ASP A 90 8.899 -6.176 5.621 1.00 11.82 H new ATOM 0 HB3 ASP A 90 9.293 -5.015 6.873 1.00 11.82 H new ATOM 1373 N ILE A 91 7.163 -4.091 4.970 1.00 10.74 N ATOM 1374 CA ILE A 91 6.863 -2.852 4.255 1.00 10.19 C ATOM 1375 C ILE A 91 5.408 -2.429 4.456 1.00 10.43 C ATOM 1376 O ILE A 91 5.122 -1.249 4.679 1.00 10.36 O ATOM 1377 CB ILE A 91 7.160 -2.996 2.742 1.00 9.70 C ATOM 1378 CG1 ILE A 91 8.673 -2.945 2.492 1.00 9.11 C ATOM 1379 CG2 ILE A 91 6.453 -1.913 1.935 1.00 9.94 C ATOM 1380 CD1 ILE A 91 9.299 -1.603 2.808 1.00 9.17 C ATOM 0 H ILE A 91 7.576 -4.818 4.387 1.00 10.74 H new ATOM 0 HA ILE A 91 7.509 -2.079 4.670 1.00 10.19 H new ATOM 0 HB ILE A 91 6.778 -3.963 2.413 1.00 9.70 H new ATOM 0 HG12 ILE A 91 9.158 -3.713 3.095 1.00 9.11 H new ATOM 0 HG13 ILE A 91 8.868 -3.190 1.448 1.00 9.11 H new ATOM 0 HG21 ILE A 91 6.681 -2.041 0.877 1.00 9.94 H new ATOM 0 HG22 ILE A 91 5.376 -1.991 2.086 1.00 9.94 H new ATOM 0 HG23 ILE A 91 6.796 -0.932 2.264 1.00 9.94 H new ATOM 0 HD11 ILE A 91 10.369 -1.644 2.607 1.00 9.17 H new ATOM 0 HD12 ILE A 91 8.842 -0.833 2.186 1.00 9.17 H new ATOM 0 HD13 ILE A 91 9.137 -1.364 3.859 1.00 9.17 H new ATOM 1392 N GLN A 92 4.498 -3.396 4.410 1.00 10.89 N ATOM 1393 CA GLN A 92 3.080 -3.105 4.569 1.00 11.26 C ATOM 1394 C GLN A 92 2.795 -2.609 5.979 1.00 11.84 C ATOM 1395 O GLN A 92 2.126 -1.596 6.159 1.00 11.95 O ATOM 1396 CB GLN A 92 2.227 -4.335 4.261 1.00 11.85 C ATOM 1397 CG GLN A 92 0.813 -3.991 3.827 1.00 12.25 C ATOM 1398 CD GLN A 92 -0.237 -4.792 4.566 1.00 13.23 C ATOM 1399 OE1 GLN A 92 -0.975 -4.254 5.392 1.00 13.70 O ATOM 1400 NE2 GLN A 92 -0.307 -6.082 4.283 1.00 13.70 N ATOM 0 H GLN A 92 4.716 -4.382 4.265 1.00 10.89 H new ATOM 0 HA GLN A 92 2.817 -2.322 3.858 1.00 11.26 H new ATOM 0 HB2 GLN A 92 2.710 -4.916 3.475 1.00 11.85 H new ATOM 0 HB3 GLN A 92 2.184 -4.970 5.146 1.00 11.85 H new ATOM 0 HG2 GLN A 92 0.635 -2.928 3.991 1.00 12.25 H new ATOM 0 HG3 GLN A 92 0.713 -4.169 2.756 1.00 12.25 H new ATOM 0 HE21 GLN A 92 0.324 -6.487 3.592 1.00 13.70 H new ATOM 0 HE22 GLN A 92 -0.992 -6.671 4.756 1.00 13.70 H new ATOM 1409 N GLU A 93 3.318 -3.319 6.975 1.00 12.34 N ATOM 1410 CA GLU A 93 3.163 -2.922 8.373 1.00 13.06 C ATOM 1411 C GLU A 93 3.730 -1.526 8.609 1.00 12.81 C ATOM 1412 O GLU A 93 3.184 -0.746 9.391 1.00 13.39 O ATOM 1413 CB GLU A 93 3.866 -3.922 9.292 1.00 13.62 C ATOM 1414 CG GLU A 93 2.917 -4.712 10.177 1.00 14.57 C ATOM 1415 CD GLU A 93 2.684 -4.043 11.513 1.00 15.36 C ATOM 1416 OE1 GLU A 93 3.612 -4.028 12.347 1.00 15.75 O ATOM 1417 OE2 GLU A 93 1.574 -3.518 11.732 1.00 15.72 O ATOM 0 H GLU A 93 3.855 -4.176 6.840 1.00 12.34 H new ATOM 0 HA GLU A 93 2.097 -2.910 8.601 1.00 13.06 H new ATOM 0 HB2 GLU A 93 4.444 -4.617 8.683 1.00 13.62 H new ATOM 0 HB3 GLU A 93 4.575 -3.386 9.923 1.00 13.62 H new ATOM 0 HG2 GLU A 93 1.963 -4.835 9.664 1.00 14.57 H new ATOM 0 HG3 GLU A 93 3.322 -5.711 10.339 1.00 14.57 H new ATOM 1424 N LEU A 94 4.827 -1.222 7.924 1.00 12.08 N ATOM 1425 CA LEU A 94 5.476 0.077 8.038 1.00 11.97 C ATOM 1426 C LEU A 94 4.579 1.177 7.493 1.00 11.94 C ATOM 1427 O LEU A 94 4.195 2.091 8.210 1.00 12.57 O ATOM 1428 CB LEU A 94 6.799 0.076 7.273 1.00 11.31 C ATOM 1429 CG LEU A 94 8.053 0.011 8.142 1.00 11.47 C ATOM 1430 CD1 LEU A 94 9.180 -0.689 7.397 1.00 11.42 C ATOM 1431 CD2 LEU A 94 8.478 1.410 8.565 1.00 11.53 C ATOM 0 H LEU A 94 5.288 -1.864 7.279 1.00 12.08 H new ATOM 0 HA LEU A 94 5.667 0.267 9.094 1.00 11.97 H new ATOM 0 HB2 LEU A 94 6.805 -0.774 6.591 1.00 11.31 H new ATOM 0 HB3 LEU A 94 6.847 0.977 6.661 1.00 11.31 H new ATOM 0 HG LEU A 94 7.825 -0.565 9.039 1.00 11.47 H new ATOM 0 HD11 LEU A 94 10.066 -0.727 8.030 1.00 11.42 H new ATOM 0 HD12 LEU A 94 8.873 -1.703 7.142 1.00 11.42 H new ATOM 0 HD13 LEU A 94 9.409 -0.139 6.484 1.00 11.42 H new ATOM 0 HD21 LEU A 94 9.373 1.347 9.184 1.00 11.53 H new ATOM 0 HD22 LEU A 94 8.691 2.009 7.680 1.00 11.53 H new ATOM 0 HD23 LEU A 94 7.675 1.877 9.135 1.00 11.53 H new ATOM 1443 N PHE A 95 4.294 1.105 6.206 1.00 11.31 N ATOM 1444 CA PHE A 95 3.420 2.083 5.568 1.00 11.29 C ATOM 1445 C PHE A 95 2.002 2.094 6.154 1.00 11.98 C ATOM 1446 O PHE A 95 1.292 3.085 6.016 1.00 12.28 O ATOM 1447 CB PHE A 95 3.395 1.877 4.056 1.00 10.57 C ATOM 1448 CG PHE A 95 4.216 2.906 3.335 1.00 10.24 C ATOM 1449 CD1 PHE A 95 3.788 4.219 3.237 1.00 10.59 C ATOM 1450 CD2 PHE A 95 5.412 2.547 2.733 1.00 9.80 C ATOM 1451 CE1 PHE A 95 4.540 5.156 2.554 1.00 10.56 C ATOM 1452 CE2 PHE A 95 6.167 3.479 2.051 1.00 9.76 C ATOM 1453 CZ PHE A 95 5.742 4.832 2.039 1.00 10.20 C ATOM 0 H PHE A 95 4.652 0.383 5.580 1.00 11.31 H new ATOM 0 HA PHE A 95 3.840 3.066 5.779 1.00 11.29 H new ATOM 0 HB2 PHE A 95 3.772 0.882 3.819 1.00 10.57 H new ATOM 0 HB3 PHE A 95 2.365 1.921 3.701 1.00 10.57 H new ATOM 0 HD1 PHE A 95 2.857 4.514 3.699 1.00 10.59 H new ATOM 0 HD2 PHE A 95 5.757 1.526 2.799 1.00 9.80 H new ATOM 0 HE1 PHE A 95 4.160 6.159 2.432 1.00 10.56 H new ATOM 0 HE2 PHE A 95 7.068 3.183 1.534 1.00 9.76 H new ATOM 0 HZ PHE A 95 6.378 5.598 1.620 1.00 10.20 H new ATOM 1463 N ALA A 96 1.588 1.009 6.802 1.00 12.37 N ATOM 1464 CA ALA A 96 0.340 1.011 7.570 1.00 13.23 C ATOM 1465 C ALA A 96 0.502 1.856 8.835 1.00 14.04 C ATOM 1466 O ALA A 96 -0.392 2.601 9.237 1.00 14.68 O ATOM 1467 CB ALA A 96 -0.066 -0.411 7.928 1.00 13.64 C ATOM 0 H ALA A 96 2.092 0.122 6.813 1.00 12.37 H new ATOM 0 HA ALA A 96 -0.448 1.448 6.956 1.00 13.23 H new ATOM 0 HB1 ALA A 96 -0.995 -0.392 8.498 1.00 13.64 H new ATOM 0 HB2 ALA A 96 -0.213 -0.988 7.015 1.00 13.64 H new ATOM 0 HB3 ALA A 96 0.718 -0.873 8.528 1.00 13.64 H new ATOM 1473 N GLU A 97 1.648 1.689 9.466 1.00 14.09 N ATOM 1474 CA GLU A 97 2.061 2.569 10.555 1.00 14.82 C ATOM 1475 C GLU A 97 2.083 4.019 10.056 1.00 14.74 C ATOM 1476 O GLU A 97 1.737 4.953 10.780 1.00 15.58 O ATOM 1477 CB GLU A 97 3.432 2.165 11.099 1.00 14.74 C ATOM 1478 CG GLU A 97 3.414 1.795 12.572 1.00 15.73 C ATOM 1479 CD GLU A 97 3.706 2.974 13.477 1.00 16.14 C ATOM 1480 OE1 GLU A 97 2.871 3.901 13.547 1.00 16.68 O ATOM 1481 OE2 GLU A 97 4.770 2.976 14.132 1.00 16.03 O ATOM 0 H GLU A 97 2.316 0.950 9.246 1.00 14.09 H new ATOM 0 HA GLU A 97 1.345 2.479 11.372 1.00 14.82 H new ATOM 0 HB2 GLU A 97 3.807 1.318 10.524 1.00 14.74 H new ATOM 0 HB3 GLU A 97 4.131 2.988 10.948 1.00 14.74 H new ATOM 0 HG2 GLU A 97 2.438 1.381 12.826 1.00 15.73 H new ATOM 0 HG3 GLU A 97 4.150 1.012 12.754 1.00 15.73 H new ATOM 1488 N PHE A 98 2.491 4.187 8.800 1.00 13.84 N ATOM 1489 CA PHE A 98 2.487 5.487 8.128 1.00 13.78 C ATOM 1490 C PHE A 98 1.074 5.938 7.727 1.00 14.08 C ATOM 1491 O PHE A 98 0.895 7.043 7.214 1.00 14.23 O ATOM 1492 CB PHE A 98 3.367 5.433 6.878 1.00 12.84 C ATOM 1493 CG PHE A 98 4.845 5.380 7.154 1.00 12.77 C ATOM 1494 CD1 PHE A 98 5.368 5.860 8.346 1.00 12.86 C ATOM 1495 CD2 PHE A 98 5.712 4.855 6.211 1.00 12.76 C ATOM 1496 CE1 PHE A 98 6.727 5.815 8.587 1.00 12.95 C ATOM 1497 CE2 PHE A 98 7.070 4.808 6.447 1.00 12.87 C ATOM 1498 CZ PHE A 98 7.579 5.288 7.636 1.00 12.97 C ATOM 0 H PHE A 98 2.835 3.424 8.217 1.00 13.84 H new ATOM 0 HA PHE A 98 2.880 6.212 8.840 1.00 13.78 H new ATOM 0 HB2 PHE A 98 3.089 4.557 6.291 1.00 12.84 H new ATOM 0 HB3 PHE A 98 3.157 6.308 6.264 1.00 12.84 H new ATOM 0 HD1 PHE A 98 4.706 6.273 9.093 1.00 12.86 H new ATOM 0 HD2 PHE A 98 5.320 4.477 5.278 1.00 12.76 H new ATOM 0 HE1 PHE A 98 7.123 6.192 9.518 1.00 12.95 H new ATOM 0 HE2 PHE A 98 7.734 4.396 5.702 1.00 12.87 H new ATOM 0 HZ PHE A 98 8.642 5.252 7.823 1.00 12.97 H new ATOM 1508 N GLY A 99 0.077 5.097 7.965 1.00 14.25 N ATOM 1509 CA GLY A 99 -1.282 5.437 7.567 1.00 14.54 C ATOM 1510 C GLY A 99 -2.026 4.301 6.891 1.00 14.14 C ATOM 1511 O GLY A 99 -1.527 3.184 6.791 1.00 14.45 O ATOM 0 H GLY A 99 0.179 4.191 8.423 1.00 14.25 H new ATOM 0 HA2 GLY A 99 -1.841 5.751 8.449 1.00 14.54 H new ATOM 0 HA3 GLY A 99 -1.249 6.291 6.890 1.00 14.54 H new ATOM 1515 N THR A 100 -3.233 4.592 6.429 1.00 13.58 N ATOM 1516 CA THR A 100 -4.075 3.590 5.798 1.00 13.32 C ATOM 1517 C THR A 100 -3.559 3.221 4.409 1.00 12.31 C ATOM 1518 O THR A 100 -3.435 4.078 3.529 1.00 11.75 O ATOM 1519 CB THR A 100 -5.524 4.089 5.696 1.00 13.60 C ATOM 1520 OG1 THR A 100 -5.613 5.421 6.233 1.00 14.03 O ATOM 1521 CG2 THR A 100 -6.464 3.164 6.455 1.00 14.35 C ATOM 0 H THR A 100 -3.652 5.520 6.481 1.00 13.58 H new ATOM 0 HA THR A 100 -4.045 2.698 6.423 1.00 13.32 H new ATOM 0 HB THR A 100 -5.819 4.097 4.647 1.00 13.60 H new ATOM 0 HG1 THR A 100 -6.537 5.740 6.166 1.00 14.03 H new ATOM 0 HG21 THR A 100 -7.486 3.535 6.371 1.00 14.35 H new ATOM 0 HG22 THR A 100 -6.406 2.161 6.033 1.00 14.35 H new ATOM 0 HG23 THR A 100 -6.175 3.133 7.505 1.00 14.35 H new ATOM 1529 N LEU A 101 -3.265 1.944 4.219 1.00 12.24 N ATOM 1530 CA LEU A 101 -2.715 1.461 2.962 1.00 11.47 C ATOM 1531 C LEU A 101 -3.796 0.798 2.116 1.00 11.61 C ATOM 1532 O LEU A 101 -4.608 0.022 2.621 1.00 12.28 O ATOM 1533 CB LEU A 101 -1.585 0.460 3.226 1.00 11.39 C ATOM 1534 CG LEU A 101 -0.171 0.965 2.923 1.00 10.65 C ATOM 1535 CD1 LEU A 101 0.833 -0.171 3.040 1.00 10.24 C ATOM 1536 CD2 LEU A 101 -0.105 1.590 1.536 1.00 10.45 C ATOM 0 H LEU A 101 -3.399 1.219 4.924 1.00 12.24 H new ATOM 0 HA LEU A 101 -2.319 2.317 2.417 1.00 11.47 H new ATOM 0 HB2 LEU A 101 -1.628 0.159 4.273 1.00 11.39 H new ATOM 0 HB3 LEU A 101 -1.768 -0.434 2.629 1.00 11.39 H new ATOM 0 HG LEU A 101 0.082 1.732 3.655 1.00 10.65 H new ATOM 0 HD11 LEU A 101 1.833 0.203 2.822 1.00 10.24 H new ATOM 0 HD12 LEU A 101 0.809 -0.575 4.052 1.00 10.24 H new ATOM 0 HD13 LEU A 101 0.577 -0.957 2.330 1.00 10.24 H new ATOM 0 HD21 LEU A 101 0.909 1.941 1.343 1.00 10.45 H new ATOM 0 HD22 LEU A 101 -0.380 0.846 0.788 1.00 10.45 H new ATOM 0 HD23 LEU A 101 -0.797 2.431 1.482 1.00 10.45 H new ATOM 1548 N LYS A 102 -3.822 1.135 0.837 1.00 11.11 N ATOM 1549 CA LYS A 102 -4.699 0.453 -0.100 1.00 11.26 C ATOM 1550 C LYS A 102 -4.101 -0.897 -0.467 1.00 11.16 C ATOM 1551 O LYS A 102 -4.692 -1.943 -0.202 1.00 11.79 O ATOM 1552 CB LYS A 102 -4.948 1.296 -1.352 1.00 10.93 C ATOM 1553 CG LYS A 102 -6.414 1.374 -1.752 1.00 11.36 C ATOM 1554 CD LYS A 102 -7.296 1.785 -0.582 1.00 11.57 C ATOM 1555 CE LYS A 102 -8.005 0.587 0.034 1.00 12.20 C ATOM 1556 NZ LYS A 102 -7.821 0.528 1.510 1.00 12.64 N ATOM 0 H LYS A 102 -3.250 1.872 0.426 1.00 11.11 H new ATOM 0 HA LYS A 102 -5.665 0.299 0.381 1.00 11.26 H new ATOM 0 HB2 LYS A 102 -4.572 2.305 -1.181 1.00 10.93 H new ATOM 0 HB3 LYS A 102 -4.376 0.879 -2.181 1.00 10.93 H new ATOM 0 HG2 LYS A 102 -6.532 2.090 -2.565 1.00 11.36 H new ATOM 0 HG3 LYS A 102 -6.740 0.405 -2.131 1.00 11.36 H new ATOM 0 HD2 LYS A 102 -6.688 2.278 0.177 1.00 11.57 H new ATOM 0 HD3 LYS A 102 -8.035 2.511 -0.920 1.00 11.57 H new ATOM 0 HE2 LYS A 102 -9.069 0.637 -0.197 1.00 12.20 H new ATOM 0 HE3 LYS A 102 -7.624 -0.330 -0.416 1.00 12.20 H new ATOM 0 HZ1 LYS A 102 -7.125 -0.208 1.744 1.00 12.64 H new ATOM 0 HZ2 LYS A 102 -7.480 1.448 1.854 1.00 12.64 H new ATOM 0 HZ3 LYS A 102 -8.729 0.303 1.964 1.00 12.64 H new ATOM 1570 N LYS A 103 -2.922 -0.873 -1.069 1.00 10.53 N ATOM 1571 CA LYS A 103 -2.188 -2.097 -1.346 1.00 10.59 C ATOM 1572 C LYS A 103 -0.695 -1.867 -1.195 1.00 10.09 C ATOM 1573 O LYS A 103 -0.221 -0.750 -1.356 1.00 9.59 O ATOM 1574 CB LYS A 103 -2.501 -2.623 -2.749 1.00 10.70 C ATOM 1575 CG LYS A 103 -2.088 -1.681 -3.870 1.00 10.37 C ATOM 1576 CD LYS A 103 -1.862 -2.427 -5.175 1.00 10.76 C ATOM 1577 CE LYS A 103 -3.129 -2.488 -6.013 1.00 11.04 C ATOM 1578 NZ LYS A 103 -4.149 -3.390 -5.416 1.00 12.01 N ATOM 0 H LYS A 103 -2.454 -0.020 -1.375 1.00 10.53 H new ATOM 0 HA LYS A 103 -2.505 -2.848 -0.622 1.00 10.59 H new ATOM 0 HB2 LYS A 103 -1.997 -3.579 -2.888 1.00 10.70 H new ATOM 0 HB3 LYS A 103 -3.572 -2.813 -2.824 1.00 10.70 H new ATOM 0 HG2 LYS A 103 -2.859 -0.924 -4.012 1.00 10.37 H new ATOM 0 HG3 LYS A 103 -1.175 -1.157 -3.587 1.00 10.37 H new ATOM 0 HD2 LYS A 103 -1.073 -1.935 -5.744 1.00 10.76 H new ATOM 0 HD3 LYS A 103 -1.518 -3.439 -4.961 1.00 10.76 H new ATOM 0 HE2 LYS A 103 -3.546 -1.486 -6.114 1.00 11.04 H new ATOM 0 HE3 LYS A 103 -2.883 -2.833 -7.017 1.00 11.04 H new ATOM 0 HZ1 LYS A 103 -4.803 -3.713 -6.157 1.00 12.01 H new ATOM 0 HZ2 LYS A 103 -3.677 -4.212 -4.988 1.00 12.01 H new ATOM 0 HZ3 LYS A 103 -4.681 -2.877 -4.684 1.00 12.01 H new ATOM 1592 N ALA A 104 0.032 -2.919 -0.861 1.00 10.38 N ATOM 1593 CA ALA A 104 1.480 -2.855 -0.779 1.00 10.01 C ATOM 1594 C ALA A 104 2.085 -4.231 -1.008 1.00 10.44 C ATOM 1595 O ALA A 104 2.030 -5.097 -0.139 1.00 10.99 O ATOM 1596 CB ALA A 104 1.924 -2.294 0.563 1.00 9.89 C ATOM 0 H ALA A 104 -0.361 -3.834 -0.641 1.00 10.38 H new ATOM 0 HA ALA A 104 1.836 -2.184 -1.560 1.00 10.01 H new ATOM 0 HB1 ALA A 104 3.013 -2.256 0.599 1.00 9.89 H new ATOM 0 HB2 ALA A 104 1.522 -1.289 0.688 1.00 9.89 H new ATOM 0 HB3 ALA A 104 1.556 -2.934 1.365 1.00 9.89 H new ATOM 1602 N ALA A 105 2.643 -4.425 -2.191 1.00 10.39 N ATOM 1603 CA ALA A 105 3.298 -5.676 -2.536 1.00 10.98 C ATOM 1604 C ALA A 105 4.777 -5.426 -2.742 1.00 10.79 C ATOM 1605 O ALA A 105 5.159 -4.359 -3.214 1.00 10.39 O ATOM 1606 CB ALA A 105 2.681 -6.270 -3.789 1.00 11.52 C ATOM 0 H ALA A 105 2.655 -3.726 -2.934 1.00 10.39 H new ATOM 0 HA ALA A 105 3.163 -6.389 -1.722 1.00 10.98 H new ATOM 0 HB1 ALA A 105 3.183 -7.206 -4.033 1.00 11.52 H new ATOM 0 HB2 ALA A 105 1.622 -6.460 -3.618 1.00 11.52 H new ATOM 0 HB3 ALA A 105 2.795 -5.571 -4.617 1.00 11.52 H new ATOM 1612 N VAL A 106 5.614 -6.394 -2.415 1.00 11.23 N ATOM 1613 CA VAL A 106 7.052 -6.181 -2.475 1.00 11.21 C ATOM 1614 C VAL A 106 7.676 -6.735 -3.744 1.00 11.93 C ATOM 1615 O VAL A 106 7.046 -7.465 -4.511 1.00 12.59 O ATOM 1616 CB VAL A 106 7.781 -6.800 -1.265 1.00 11.39 C ATOM 1617 CG1 VAL A 106 7.523 -5.980 -0.013 1.00 10.93 C ATOM 1618 CG2 VAL A 106 7.366 -8.251 -1.066 1.00 11.99 C ATOM 0 H VAL A 106 5.330 -7.324 -2.109 1.00 11.23 H new ATOM 0 HA VAL A 106 7.176 -5.098 -2.463 1.00 11.21 H new ATOM 0 HB VAL A 106 8.852 -6.786 -1.465 1.00 11.39 H new ATOM 0 HG11 VAL A 106 8.045 -6.431 0.831 1.00 10.93 H new ATOM 0 HG12 VAL A 106 7.886 -4.963 -0.163 1.00 10.93 H new ATOM 0 HG13 VAL A 106 6.453 -5.957 0.192 1.00 10.93 H new ATOM 0 HG21 VAL A 106 7.893 -8.666 -0.207 1.00 11.99 H new ATOM 0 HG22 VAL A 106 6.291 -8.301 -0.891 1.00 11.99 H new ATOM 0 HG23 VAL A 106 7.616 -8.826 -1.957 1.00 11.99 H new ATOM 1628 N ASP A 107 8.921 -6.347 -3.950 1.00 11.95 N ATOM 1629 CA ASP A 107 9.681 -6.700 -5.133 1.00 12.77 C ATOM 1630 C ASP A 107 11.079 -7.112 -4.701 1.00 13.21 C ATOM 1631 O ASP A 107 11.510 -6.781 -3.595 1.00 12.80 O ATOM 1632 CB ASP A 107 9.751 -5.514 -6.098 1.00 12.61 C ATOM 1633 CG ASP A 107 9.634 -5.939 -7.547 1.00 13.52 C ATOM 1634 OD1 ASP A 107 8.509 -6.257 -7.986 1.00 13.74 O ATOM 1635 OD2 ASP A 107 10.664 -5.949 -8.253 1.00 14.12 O ATOM 0 H ASP A 107 9.440 -5.769 -3.289 1.00 11.95 H new ATOM 0 HA ASP A 107 9.194 -7.525 -5.652 1.00 12.77 H new ATOM 0 HB2 ASP A 107 8.952 -4.811 -5.863 1.00 12.61 H new ATOM 0 HB3 ASP A 107 10.693 -4.986 -5.952 1.00 12.61 H new ATOM 1640 N TYR A 108 11.790 -7.816 -5.557 1.00 14.11 N ATOM 1641 CA TYR A 108 13.081 -8.369 -5.181 1.00 14.67 C ATOM 1642 C TYR A 108 14.122 -8.067 -6.243 1.00 15.44 C ATOM 1643 O TYR A 108 13.796 -7.556 -7.316 1.00 15.72 O ATOM 1644 CB TYR A 108 12.976 -9.883 -4.964 1.00 15.38 C ATOM 1645 CG TYR A 108 12.230 -10.274 -3.705 1.00 14.91 C ATOM 1646 CD1 TYR A 108 10.845 -10.197 -3.641 1.00 15.00 C ATOM 1647 CD2 TYR A 108 12.913 -10.712 -2.577 1.00 14.54 C ATOM 1648 CE1 TYR A 108 10.164 -10.545 -2.489 1.00 14.74 C ATOM 1649 CE2 TYR A 108 12.240 -11.065 -1.426 1.00 14.26 C ATOM 1650 CZ TYR A 108 10.850 -11.005 -1.403 1.00 14.37 C ATOM 1651 OH TYR A 108 10.196 -11.316 -0.231 1.00 14.27 O ATOM 0 H TYR A 108 11.501 -8.020 -6.514 1.00 14.11 H new ATOM 0 HA TYR A 108 13.390 -7.902 -4.246 1.00 14.67 H new ATOM 0 HB2 TYR A 108 12.476 -10.329 -5.824 1.00 15.38 H new ATOM 0 HB3 TYR A 108 13.980 -10.305 -4.925 1.00 15.38 H new ATOM 0 HD1 TYR A 108 10.291 -9.860 -4.505 1.00 15.00 H new ATOM 0 HD2 TYR A 108 13.991 -10.777 -2.602 1.00 14.54 H new ATOM 0 HE1 TYR A 108 9.089 -10.453 -2.449 1.00 14.74 H new ATOM 0 HE2 TYR A 108 12.787 -11.385 -0.551 1.00 14.26 H new ATOM 0 HH TYR A 108 10.845 -11.629 0.433 1.00 14.27 H new ATOM 1661 N ASP A 109 15.371 -8.385 -5.944 1.00 15.88 N ATOM 1662 CA ASP A 109 16.457 -8.176 -6.884 1.00 16.70 C ATOM 1663 C ASP A 109 16.843 -9.515 -7.508 1.00 17.75 C ATOM 1664 O ASP A 109 16.580 -10.564 -6.918 1.00 17.90 O ATOM 1665 CB ASP A 109 17.647 -7.527 -6.164 1.00 16.70 C ATOM 1666 CG ASP A 109 18.985 -7.857 -6.791 1.00 17.47 C ATOM 1667 OD1 ASP A 109 19.371 -7.173 -7.753 1.00 17.54 O ATOM 1668 OD2 ASP A 109 19.651 -8.804 -6.330 1.00 18.07 O ATOM 0 H ASP A 109 15.657 -8.791 -5.053 1.00 15.88 H new ATOM 0 HA ASP A 109 16.142 -7.503 -7.681 1.00 16.70 H new ATOM 0 HB2 ASP A 109 17.513 -6.445 -6.160 1.00 16.70 H new ATOM 0 HB3 ASP A 109 17.653 -7.851 -5.123 1.00 16.70 H new ATOM 1673 N ARG A 110 17.441 -9.471 -8.695 1.00 18.56 N ATOM 1674 CA ARG A 110 17.805 -10.675 -9.452 1.00 19.67 C ATOM 1675 C ARG A 110 18.575 -11.708 -8.620 1.00 20.06 C ATOM 1676 O ARG A 110 18.482 -12.905 -8.885 1.00 20.72 O ATOM 1677 CB ARG A 110 18.621 -10.290 -10.688 1.00 20.52 C ATOM 1678 CG ARG A 110 19.817 -9.403 -10.385 1.00 20.56 C ATOM 1679 CD ARG A 110 20.715 -9.249 -11.600 1.00 20.89 C ATOM 1680 NE ARG A 110 22.128 -9.188 -11.232 1.00 21.05 N ATOM 1681 CZ ARG A 110 22.983 -10.197 -11.393 1.00 21.24 C ATOM 1682 NH1 ARG A 110 22.570 -11.346 -11.918 1.00 21.27 N ATOM 1683 NH2 ARG A 110 24.253 -10.059 -11.025 1.00 21.49 N ATOM 0 H ARG A 110 17.689 -8.600 -9.164 1.00 18.56 H new ATOM 0 HA ARG A 110 16.869 -11.148 -9.750 1.00 19.67 H new ATOM 0 HB2 ARG A 110 18.970 -11.199 -11.178 1.00 20.52 H new ATOM 0 HB3 ARG A 110 17.970 -9.776 -11.395 1.00 20.52 H new ATOM 0 HG2 ARG A 110 19.471 -8.422 -10.060 1.00 20.56 H new ATOM 0 HG3 ARG A 110 20.388 -9.829 -9.560 1.00 20.56 H new ATOM 0 HD2 ARG A 110 20.553 -10.086 -12.279 1.00 20.89 H new ATOM 0 HD3 ARG A 110 20.442 -8.343 -12.140 1.00 20.89 H new ATOM 0 HE ARG A 110 22.481 -8.321 -10.828 1.00 21.05 H new ATOM 0 HH11 ARG A 110 21.596 -11.457 -12.199 1.00 21.27 H new ATOM 0 HH12 ARG A 110 23.227 -12.116 -12.040 1.00 21.27 H new ATOM 0 HH21 ARG A 110 24.574 -9.180 -10.619 1.00 21.49 H new ATOM 0 HH22 ARG A 110 24.907 -10.832 -11.149 1.00 21.49 H new ATOM 1697 N SER A 111 19.316 -11.261 -7.610 1.00 19.71 N ATOM 1698 CA SER A 111 20.095 -12.175 -6.779 1.00 20.09 C ATOM 1699 C SER A 111 19.213 -12.889 -5.750 1.00 19.34 C ATOM 1700 O SER A 111 19.715 -13.573 -4.854 1.00 19.58 O ATOM 1701 CB SER A 111 21.223 -11.417 -6.073 1.00 20.36 C ATOM 1702 OG SER A 111 22.020 -10.705 -7.011 1.00 20.33 O ATOM 0 H SER A 111 19.394 -10.278 -7.348 1.00 19.71 H new ATOM 0 HA SER A 111 20.527 -12.933 -7.432 1.00 20.09 H new ATOM 0 HB2 SER A 111 20.801 -10.722 -5.347 1.00 20.36 H new ATOM 0 HB3 SER A 111 21.846 -12.118 -5.518 1.00 20.36 H new ATOM 0 HG SER A 111 21.624 -9.823 -7.174 1.00 20.33 H new ATOM 1708 N GLY A 112 17.898 -12.727 -5.879 1.00 18.52 N ATOM 1709 CA GLY A 112 16.967 -13.402 -4.997 1.00 17.87 C ATOM 1710 C GLY A 112 17.057 -12.905 -3.572 1.00 17.53 C ATOM 1711 O GLY A 112 16.804 -13.655 -2.629 1.00 17.59 O ATOM 0 H GLY A 112 17.461 -12.135 -6.585 1.00 18.52 H new ATOM 0 HA2 GLY A 112 15.952 -13.257 -5.366 1.00 17.87 H new ATOM 0 HA3 GLY A 112 17.164 -14.474 -5.018 1.00 17.87 H new ATOM 1715 N ARG A 113 17.411 -11.640 -3.418 1.00 17.30 N ATOM 1716 CA ARG A 113 17.599 -11.058 -2.099 1.00 17.14 C ATOM 1717 C ARG A 113 16.470 -10.093 -1.765 1.00 16.20 C ATOM 1718 O ARG A 113 15.907 -9.444 -2.653 1.00 16.37 O ATOM 1719 CB ARG A 113 18.952 -10.340 -2.018 1.00 17.48 C ATOM 1720 CG ARG A 113 19.055 -9.112 -2.913 1.00 18.02 C ATOM 1721 CD ARG A 113 20.425 -8.458 -2.813 1.00 18.53 C ATOM 1722 NE ARG A 113 20.907 -8.001 -4.115 1.00 18.76 N ATOM 1723 CZ ARG A 113 21.772 -7.001 -4.289 1.00 19.39 C ATOM 1724 NH1 ARG A 113 22.235 -6.321 -3.246 1.00 19.85 N ATOM 1725 NH2 ARG A 113 22.170 -6.676 -5.513 1.00 19.68 N ATOM 0 H ARG A 113 17.574 -10.995 -4.191 1.00 17.30 H new ATOM 0 HA ARG A 113 17.586 -11.866 -1.368 1.00 17.14 H new ATOM 0 HB2 ARG A 113 19.132 -10.041 -0.985 1.00 17.48 H new ATOM 0 HB3 ARG A 113 19.741 -11.042 -2.289 1.00 17.48 H new ATOM 0 HG2 ARG A 113 18.863 -9.398 -3.947 1.00 18.02 H new ATOM 0 HG3 ARG A 113 18.286 -8.392 -2.633 1.00 18.02 H new ATOM 0 HD2 ARG A 113 20.374 -7.612 -2.127 1.00 18.53 H new ATOM 0 HD3 ARG A 113 21.136 -9.168 -2.391 1.00 18.53 H new ATOM 0 HE ARG A 113 20.558 -8.479 -4.946 1.00 18.76 H new ATOM 0 HH11 ARG A 113 21.929 -6.562 -2.303 1.00 19.85 H new ATOM 0 HH12 ARG A 113 22.896 -5.558 -3.388 1.00 19.85 H new ATOM 0 HH21 ARG A 113 21.814 -7.191 -6.318 1.00 19.68 H new ATOM 0 HH22 ARG A 113 22.832 -5.911 -5.648 1.00 19.68 H new ATOM 1739 N SER A 114 16.143 -10.010 -0.486 1.00 15.31 N ATOM 1740 CA SER A 114 15.132 -9.083 -0.005 1.00 14.46 C ATOM 1741 C SER A 114 15.752 -7.702 0.161 1.00 13.60 C ATOM 1742 O SER A 114 16.014 -7.246 1.274 1.00 13.37 O ATOM 1743 CB SER A 114 14.560 -9.583 1.323 1.00 14.66 C ATOM 1744 OG SER A 114 15.114 -10.845 1.661 1.00 15.43 O ATOM 0 H SER A 114 16.568 -10.580 0.245 1.00 15.31 H new ATOM 0 HA SER A 114 14.318 -9.019 -0.727 1.00 14.46 H new ATOM 0 HB2 SER A 114 14.775 -8.862 2.112 1.00 14.66 H new ATOM 0 HB3 SER A 114 13.475 -9.663 1.251 1.00 14.66 H new ATOM 0 HG SER A 114 14.739 -11.149 2.514 1.00 15.43 H new ATOM 1750 N LEU A 115 15.975 -7.036 -0.962 1.00 13.29 N ATOM 1751 CA LEU A 115 16.710 -5.778 -0.989 1.00 12.67 C ATOM 1752 C LEU A 115 15.836 -4.593 -0.559 1.00 11.82 C ATOM 1753 O LEU A 115 16.172 -3.434 -0.812 1.00 11.50 O ATOM 1754 CB LEU A 115 17.298 -5.561 -2.394 1.00 13.13 C ATOM 1755 CG LEU A 115 16.407 -4.816 -3.391 1.00 13.71 C ATOM 1756 CD1 LEU A 115 17.222 -4.341 -4.580 1.00 13.79 C ATOM 1757 CD2 LEU A 115 15.264 -5.702 -3.858 1.00 14.34 C ATOM 0 H LEU A 115 15.653 -7.350 -1.878 1.00 13.29 H new ATOM 0 HA LEU A 115 17.524 -5.837 -0.266 1.00 12.67 H new ATOM 0 HB2 LEU A 115 18.234 -5.011 -2.293 1.00 13.13 H new ATOM 0 HB3 LEU A 115 17.545 -6.535 -2.816 1.00 13.13 H new ATOM 0 HG LEU A 115 15.985 -3.947 -2.886 1.00 13.71 H new ATOM 0 HD11 LEU A 115 16.573 -3.813 -5.279 1.00 13.79 H new ATOM 0 HD12 LEU A 115 18.008 -3.669 -4.237 1.00 13.79 H new ATOM 0 HD13 LEU A 115 17.671 -5.199 -5.080 1.00 13.79 H new ATOM 0 HD21 LEU A 115 14.643 -5.152 -4.566 1.00 14.34 H new ATOM 0 HD22 LEU A 115 15.667 -6.591 -4.343 1.00 14.34 H new ATOM 0 HD23 LEU A 115 14.660 -5.999 -3.001 1.00 14.34 H new ATOM 1769 N GLY A 116 14.721 -4.892 0.102 1.00 11.63 N ATOM 1770 CA GLY A 116 13.855 -3.851 0.608 1.00 10.96 C ATOM 1771 C GLY A 116 13.184 -3.074 -0.496 1.00 10.62 C ATOM 1772 O GLY A 116 13.378 -1.868 -0.619 1.00 10.23 O ATOM 0 H GLY A 116 14.404 -5.842 0.295 1.00 11.63 H new ATOM 0 HA2 GLY A 116 13.094 -4.295 1.250 1.00 10.96 H new ATOM 0 HA3 GLY A 116 14.436 -3.168 1.228 1.00 10.96 H new ATOM 1776 N THR A 117 12.418 -3.762 -1.318 1.00 10.92 N ATOM 1777 CA THR A 117 11.721 -3.115 -2.412 1.00 10.75 C ATOM 1778 C THR A 117 10.248 -3.499 -2.423 1.00 10.46 C ATOM 1779 O THR A 117 9.901 -4.644 -2.147 1.00 10.80 O ATOM 1780 CB THR A 117 12.381 -3.458 -3.760 1.00 11.45 C ATOM 1781 OG1 THR A 117 13.765 -3.099 -3.701 1.00 12.11 O ATOM 1782 CG2 THR A 117 11.716 -2.720 -4.917 1.00 11.71 C ATOM 0 H THR A 117 12.262 -4.768 -1.250 1.00 10.92 H new ATOM 0 HA THR A 117 11.789 -2.037 -2.262 1.00 10.75 H new ATOM 0 HB THR A 117 12.267 -4.528 -3.937 1.00 11.45 H new ATOM 0 HG1 THR A 117 14.119 -3.008 -4.611 1.00 12.11 H new ATOM 0 HG21 THR A 117 12.210 -2.988 -5.851 1.00 11.71 H new ATOM 0 HG22 THR A 117 10.664 -2.999 -4.970 1.00 11.71 H new ATOM 0 HG23 THR A 117 11.799 -1.645 -4.758 1.00 11.71 H new ATOM 1790 N ALA A 118 9.389 -2.528 -2.714 1.00 9.99 N ATOM 1791 CA ALA A 118 7.955 -2.761 -2.773 1.00 9.78 C ATOM 1792 C ALA A 118 7.252 -1.686 -3.588 1.00 9.60 C ATOM 1793 O ALA A 118 7.822 -0.633 -3.884 1.00 9.55 O ATOM 1794 CB ALA A 118 7.352 -2.813 -1.376 1.00 9.47 C ATOM 0 H ALA A 118 9.666 -1.567 -2.914 1.00 9.99 H new ATOM 0 HA ALA A 118 7.807 -3.724 -3.262 1.00 9.78 H new ATOM 0 HB1 ALA A 118 6.279 -2.988 -1.449 1.00 9.47 H new ATOM 0 HB2 ALA A 118 7.814 -3.622 -0.810 1.00 9.47 H new ATOM 0 HB3 ALA A 118 7.531 -1.866 -0.867 1.00 9.47 H new ATOM 1800 N ASP A 119 6.017 -1.980 -3.949 1.00 9.67 N ATOM 1801 CA ASP A 119 5.134 -1.035 -4.606 1.00 9.53 C ATOM 1802 C ASP A 119 3.873 -0.904 -3.770 1.00 9.23 C ATOM 1803 O ASP A 119 3.049 -1.824 -3.726 1.00 9.46 O ATOM 1804 CB ASP A 119 4.788 -1.516 -6.025 1.00 10.06 C ATOM 1805 CG ASP A 119 3.623 -0.763 -6.657 1.00 10.01 C ATOM 1806 OD1 ASP A 119 2.462 -1.097 -6.353 1.00 9.84 O ATOM 1807 OD2 ASP A 119 3.863 0.198 -7.426 1.00 10.21 O ATOM 0 H ASP A 119 5.593 -2.894 -3.792 1.00 9.67 H new ATOM 0 HA ASP A 119 5.627 -0.067 -4.695 1.00 9.53 H new ATOM 0 HB2 ASP A 119 5.667 -1.408 -6.661 1.00 10.06 H new ATOM 0 HB3 ASP A 119 4.547 -2.579 -5.991 1.00 10.06 H new ATOM 1812 N VAL A 120 3.742 0.200 -3.056 1.00 8.97 N ATOM 1813 CA VAL A 120 2.575 0.413 -2.236 1.00 8.93 C ATOM 1814 C VAL A 120 1.713 1.504 -2.854 1.00 8.97 C ATOM 1815 O VAL A 120 2.213 2.396 -3.540 1.00 9.03 O ATOM 1816 CB VAL A 120 2.947 0.761 -0.773 1.00 9.02 C ATOM 1817 CG1 VAL A 120 4.192 0.002 -0.336 1.00 9.07 C ATOM 1818 CG2 VAL A 120 3.164 2.245 -0.611 1.00 9.06 C ATOM 0 H VAL A 120 4.427 0.955 -3.031 1.00 8.97 H new ATOM 0 HA VAL A 120 2.009 -0.518 -2.200 1.00 8.93 H new ATOM 0 HB VAL A 120 2.114 0.460 -0.138 1.00 9.02 H new ATOM 0 HG11 VAL A 120 4.434 0.262 0.694 1.00 9.07 H new ATOM 0 HG12 VAL A 120 4.008 -1.070 -0.406 1.00 9.07 H new ATOM 0 HG13 VAL A 120 5.027 0.269 -0.983 1.00 9.07 H new ATOM 0 HG21 VAL A 120 3.424 2.464 0.425 1.00 9.06 H new ATOM 0 HG22 VAL A 120 3.974 2.568 -1.265 1.00 9.06 H new ATOM 0 HG23 VAL A 120 2.250 2.777 -0.876 1.00 9.06 H new ATOM 1828 N HIS A 121 0.420 1.405 -2.648 1.00 9.13 N ATOM 1829 CA HIS A 121 -0.518 2.321 -3.253 1.00 9.24 C ATOM 1830 C HIS A 121 -1.449 2.906 -2.209 1.00 9.55 C ATOM 1831 O HIS A 121 -2.101 2.164 -1.474 1.00 9.80 O ATOM 1832 CB HIS A 121 -1.333 1.587 -4.313 1.00 9.38 C ATOM 1833 CG HIS A 121 -0.748 1.677 -5.687 1.00 9.45 C ATOM 1834 ND1 HIS A 121 0.223 0.818 -6.159 1.00 9.62 N ATOM 1835 CD2 HIS A 121 -1.012 2.533 -6.699 1.00 9.62 C ATOM 1836 CE1 HIS A 121 0.526 1.143 -7.400 1.00 9.94 C ATOM 1837 NE2 HIS A 121 -0.209 2.180 -7.753 1.00 9.93 N ATOM 0 H HIS A 121 -0.009 0.691 -2.059 1.00 9.13 H new ATOM 0 HA HIS A 121 0.039 3.136 -3.714 1.00 9.24 H new ATOM 0 HB2 HIS A 121 -1.418 0.537 -4.032 1.00 9.38 H new ATOM 0 HB3 HIS A 121 -2.343 1.996 -4.330 1.00 9.38 H new ATOM 0 HD1 HIS A 121 0.641 0.052 -5.631 1.00 9.62 H new ATOM 0 HD2 HIS A 121 -1.724 3.345 -6.681 1.00 9.62 H new ATOM 0 HE1 HIS A 121 1.254 0.644 -8.023 1.00 9.94 H new ATOM 1846 N PHE A 122 -1.481 4.226 -2.118 1.00 9.77 N ATOM 1847 CA PHE A 122 -2.459 4.904 -1.280 1.00 10.32 C ATOM 1848 C PHE A 122 -3.550 5.510 -2.149 1.00 10.49 C ATOM 1849 O PHE A 122 -3.350 5.716 -3.345 1.00 10.27 O ATOM 1850 CB PHE A 122 -1.810 6.011 -0.436 1.00 10.72 C ATOM 1851 CG PHE A 122 -0.315 5.927 -0.324 1.00 10.49 C ATOM 1852 CD1 PHE A 122 0.275 5.121 0.636 1.00 10.41 C ATOM 1853 CD2 PHE A 122 0.496 6.641 -1.186 1.00 10.52 C ATOM 1854 CE1 PHE A 122 1.648 5.033 0.736 1.00 10.34 C ATOM 1855 CE2 PHE A 122 1.870 6.555 -1.091 1.00 10.36 C ATOM 1856 CZ PHE A 122 2.446 5.793 -0.102 1.00 10.28 C ATOM 0 H PHE A 122 -0.843 4.849 -2.613 1.00 9.77 H new ATOM 0 HA PHE A 122 -2.886 4.164 -0.603 1.00 10.32 H new ATOM 0 HB2 PHE A 122 -2.074 6.977 -0.866 1.00 10.72 H new ATOM 0 HB3 PHE A 122 -2.237 5.981 0.566 1.00 10.72 H new ATOM 0 HD1 PHE A 122 -0.347 4.555 1.314 1.00 10.41 H new ATOM 0 HD2 PHE A 122 0.050 7.272 -1.941 1.00 10.52 H new ATOM 0 HE1 PHE A 122 2.098 4.375 1.464 1.00 10.34 H new ATOM 0 HE2 PHE A 122 2.494 7.087 -1.794 1.00 10.36 H new ATOM 0 HZ PHE A 122 3.519 5.787 0.021 1.00 10.28 H new ATOM 1866 N GLU A 123 -4.707 5.771 -1.560 1.00 11.02 N ATOM 1867 CA GLU A 123 -5.803 6.406 -2.286 1.00 11.27 C ATOM 1868 C GLU A 123 -5.593 7.917 -2.370 1.00 11.67 C ATOM 1869 O GLU A 123 -6.184 8.596 -3.211 1.00 11.87 O ATOM 1870 CB GLU A 123 -7.154 6.101 -1.624 1.00 11.83 C ATOM 1871 CG GLU A 123 -7.042 5.509 -0.228 1.00 11.97 C ATOM 1872 CD GLU A 123 -8.322 5.647 0.570 1.00 12.34 C ATOM 1873 OE1 GLU A 123 -8.591 6.756 1.080 1.00 12.67 O ATOM 1874 OE2 GLU A 123 -9.067 4.648 0.685 1.00 12.45 O ATOM 0 H GLU A 123 -4.914 5.555 -0.585 1.00 11.02 H new ATOM 0 HA GLU A 123 -5.812 5.995 -3.296 1.00 11.27 H new ATOM 0 HB2 GLU A 123 -7.736 7.021 -1.571 1.00 11.83 H new ATOM 0 HB3 GLU A 123 -7.709 5.408 -2.257 1.00 11.83 H new ATOM 0 HG2 GLU A 123 -6.779 4.454 -0.305 1.00 11.97 H new ATOM 0 HG3 GLU A 123 -6.230 6.002 0.307 1.00 11.97 H new ATOM 1881 N ARG A 124 -4.740 8.435 -1.495 1.00 11.93 N ATOM 1882 CA ARG A 124 -4.552 9.872 -1.362 1.00 12.58 C ATOM 1883 C ARG A 124 -3.261 10.333 -2.021 1.00 12.40 C ATOM 1884 O ARG A 124 -2.210 9.713 -1.852 1.00 12.05 O ATOM 1885 CB ARG A 124 -4.525 10.254 0.116 1.00 13.34 C ATOM 1886 CG ARG A 124 -5.888 10.214 0.785 1.00 13.64 C ATOM 1887 CD ARG A 124 -6.228 8.817 1.280 1.00 14.19 C ATOM 1888 NE ARG A 124 -5.386 8.408 2.402 1.00 14.36 N ATOM 1889 CZ ARG A 124 -5.777 7.575 3.363 1.00 14.72 C ATOM 1890 NH1 ARG A 124 -6.962 6.979 3.296 1.00 14.94 N ATOM 1891 NH2 ARG A 124 -4.958 7.308 4.371 1.00 15.04 N ATOM 0 H ARG A 124 -4.165 7.877 -0.864 1.00 11.93 H new ATOM 0 HA ARG A 124 -5.386 10.363 -1.864 1.00 12.58 H new ATOM 0 HB2 ARG A 124 -3.852 9.579 0.644 1.00 13.34 H new ATOM 0 HB3 ARG A 124 -4.112 11.258 0.215 1.00 13.34 H new ATOM 0 HG2 ARG A 124 -5.903 10.911 1.623 1.00 13.64 H new ATOM 0 HG3 ARG A 124 -6.650 10.546 0.080 1.00 13.64 H new ATOM 0 HD2 ARG A 124 -7.275 8.786 1.583 1.00 14.19 H new ATOM 0 HD3 ARG A 124 -6.112 8.106 0.462 1.00 14.19 H new ATOM 0 HE ARG A 124 -4.439 8.785 2.452 1.00 14.36 H new ATOM 0 HH11 ARG A 124 -7.579 7.159 2.504 1.00 14.94 H new ATOM 0 HH12 ARG A 124 -7.255 6.342 4.037 1.00 14.94 H new ATOM 0 HH21 ARG A 124 -4.035 7.740 4.406 1.00 15.04 H new ATOM 0 HH22 ARG A 124 -5.251 6.670 5.111 1.00 15.04 H new ATOM 1905 N ARG A 125 -3.343 11.426 -2.765 1.00 12.78 N ATOM 1906 CA ARG A 125 -2.180 12.022 -3.404 1.00 12.90 C ATOM 1907 C ARG A 125 -1.268 12.688 -2.376 1.00 13.56 C ATOM 1908 O ARG A 125 -0.042 12.605 -2.475 1.00 13.55 O ATOM 1909 CB ARG A 125 -2.650 13.040 -4.447 1.00 13.36 C ATOM 1910 CG ARG A 125 -1.708 14.214 -4.657 1.00 13.29 C ATOM 1911 CD ARG A 125 -2.269 15.190 -5.676 1.00 13.69 C ATOM 1912 NE ARG A 125 -1.705 16.528 -5.521 1.00 14.28 N ATOM 1913 CZ ARG A 125 -1.130 17.211 -6.506 1.00 14.61 C ATOM 1914 NH1 ARG A 125 -1.017 16.671 -7.714 1.00 14.43 N ATOM 1915 NH2 ARG A 125 -0.670 18.434 -6.283 1.00 15.26 N ATOM 0 H ARG A 125 -4.216 11.924 -2.942 1.00 12.78 H new ATOM 0 HA ARG A 125 -1.602 11.238 -3.893 1.00 12.90 H new ATOM 0 HB2 ARG A 125 -2.788 12.527 -5.399 1.00 13.36 H new ATOM 0 HB3 ARG A 125 -3.625 13.423 -4.147 1.00 13.36 H new ATOM 0 HG2 ARG A 125 -1.545 14.727 -3.709 1.00 13.29 H new ATOM 0 HG3 ARG A 125 -0.737 13.850 -4.994 1.00 13.29 H new ATOM 0 HD2 ARG A 125 -2.061 14.823 -6.681 1.00 13.69 H new ATOM 0 HD3 ARG A 125 -3.353 15.239 -5.572 1.00 13.69 H new ATOM 0 HE ARG A 125 -1.755 16.965 -4.601 1.00 14.28 H new ATOM 0 HH11 ARG A 125 -1.372 15.731 -7.887 1.00 14.43 H new ATOM 0 HH12 ARG A 125 -0.576 17.197 -8.468 1.00 14.43 H new ATOM 0 HH21 ARG A 125 -0.757 18.851 -5.356 1.00 15.26 H new ATOM 0 HH22 ARG A 125 -0.229 18.959 -7.038 1.00 15.26 H new ATOM 1929 N ALA A 126 -1.867 13.341 -1.384 1.00 14.24 N ATOM 1930 CA ALA A 126 -1.102 14.029 -0.350 1.00 15.01 C ATOM 1931 C ALA A 126 -0.290 13.034 0.468 1.00 14.54 C ATOM 1932 O ALA A 126 0.770 13.365 0.995 1.00 14.95 O ATOM 1933 CB ALA A 126 -2.022 14.831 0.554 1.00 15.90 C ATOM 0 H ALA A 126 -2.879 13.408 -1.275 1.00 14.24 H new ATOM 0 HA ALA A 126 -0.413 14.718 -0.839 1.00 15.01 H new ATOM 0 HB1 ALA A 126 -1.431 15.336 1.318 1.00 15.90 H new ATOM 0 HB2 ALA A 126 -2.559 15.572 -0.038 1.00 15.90 H new ATOM 0 HB3 ALA A 126 -2.737 14.161 1.032 1.00 15.90 H new ATOM 1939 N ASP A 127 -0.797 11.812 0.556 1.00 13.75 N ATOM 1940 CA ASP A 127 -0.085 10.732 1.229 1.00 13.28 C ATOM 1941 C ASP A 127 1.247 10.475 0.532 1.00 12.77 C ATOM 1942 O ASP A 127 2.254 10.186 1.175 1.00 12.74 O ATOM 1943 CB ASP A 127 -0.930 9.455 1.249 1.00 12.65 C ATOM 1944 CG ASP A 127 -1.791 9.343 2.495 1.00 13.12 C ATOM 1945 OD1 ASP A 127 -1.507 10.042 3.486 1.00 13.51 O ATOM 1946 OD2 ASP A 127 -2.752 8.544 2.496 1.00 13.24 O ATOM 0 H ASP A 127 -1.701 11.542 0.169 1.00 13.75 H new ATOM 0 HA ASP A 127 0.105 11.030 2.260 1.00 13.28 H new ATOM 0 HB2 ASP A 127 -1.570 9.433 0.367 1.00 12.65 H new ATOM 0 HB3 ASP A 127 -0.273 8.588 1.187 1.00 12.65 H new ATOM 1951 N ALA A 128 1.249 10.635 -0.788 1.00 12.51 N ATOM 1952 CA ALA A 128 2.457 10.462 -1.581 1.00 12.26 C ATOM 1953 C ALA A 128 3.327 11.706 -1.477 1.00 13.19 C ATOM 1954 O ALA A 128 4.546 11.622 -1.333 1.00 13.28 O ATOM 1955 CB ALA A 128 2.103 10.190 -3.035 1.00 11.90 C ATOM 0 H ALA A 128 0.423 10.885 -1.331 1.00 12.51 H new ATOM 0 HA ALA A 128 3.011 9.607 -1.194 1.00 12.26 H new ATOM 0 HB1 ALA A 128 3.017 10.063 -3.614 1.00 11.90 H new ATOM 0 HB2 ALA A 128 1.503 9.282 -3.100 1.00 11.90 H new ATOM 0 HB3 ALA A 128 1.534 11.030 -3.434 1.00 11.90 H new ATOM 1961 N LEU A 129 2.673 12.858 -1.545 1.00 13.95 N ATOM 1962 CA LEU A 129 3.343 14.144 -1.402 1.00 15.01 C ATOM 1963 C LEU A 129 4.134 14.189 -0.095 1.00 15.35 C ATOM 1964 O LEU A 129 5.317 14.535 -0.078 1.00 15.80 O ATOM 1965 CB LEU A 129 2.311 15.274 -1.436 1.00 15.79 C ATOM 1966 CG LEU A 129 2.887 16.688 -1.524 1.00 17.00 C ATOM 1967 CD1 LEU A 129 2.192 17.474 -2.624 1.00 17.52 C ATOM 1968 CD2 LEU A 129 2.747 17.401 -0.188 1.00 17.74 C ATOM 0 H LEU A 129 1.667 12.928 -1.700 1.00 13.95 H new ATOM 0 HA LEU A 129 4.039 14.274 -2.231 1.00 15.01 H new ATOM 0 HB2 LEU A 129 1.652 15.115 -2.289 1.00 15.79 H new ATOM 0 HB3 LEU A 129 1.694 15.207 -0.540 1.00 15.79 H new ATOM 0 HG LEU A 129 3.947 16.618 -1.767 1.00 17.00 H new ATOM 0 HD11 LEU A 129 2.612 18.478 -2.675 1.00 17.52 H new ATOM 0 HD12 LEU A 129 2.339 16.970 -3.579 1.00 17.52 H new ATOM 0 HD13 LEU A 129 1.126 17.538 -2.408 1.00 17.52 H new ATOM 0 HD21 LEU A 129 3.161 18.406 -0.267 1.00 17.74 H new ATOM 0 HD22 LEU A 129 1.693 17.463 0.082 1.00 17.74 H new ATOM 0 HD23 LEU A 129 3.286 16.845 0.579 1.00 17.74 H new ATOM 1980 N LYS A 130 3.476 13.808 0.989 1.00 15.21 N ATOM 1981 CA LYS A 130 4.104 13.789 2.298 1.00 15.60 C ATOM 1982 C LYS A 130 5.205 12.731 2.355 1.00 14.90 C ATOM 1983 O LYS A 130 6.258 12.956 2.942 1.00 15.34 O ATOM 1984 CB LYS A 130 3.048 13.539 3.383 1.00 15.68 C ATOM 1985 CG LYS A 130 3.518 12.647 4.522 1.00 15.55 C ATOM 1986 CD LYS A 130 2.789 11.311 4.525 1.00 15.23 C ATOM 1987 CE LYS A 130 1.282 11.496 4.613 1.00 15.09 C ATOM 1988 NZ LYS A 130 0.595 10.255 5.049 1.00 15.23 N ATOM 0 H LYS A 130 2.502 13.506 0.986 1.00 15.21 H new ATOM 0 HA LYS A 130 4.565 14.760 2.479 1.00 15.60 H new ATOM 0 HB2 LYS A 130 2.733 14.498 3.795 1.00 15.68 H new ATOM 0 HB3 LYS A 130 2.170 13.087 2.922 1.00 15.68 H new ATOM 0 HG2 LYS A 130 4.591 12.476 4.432 1.00 15.55 H new ATOM 0 HG3 LYS A 130 3.354 13.154 5.473 1.00 15.55 H new ATOM 0 HD2 LYS A 130 3.036 10.759 3.618 1.00 15.23 H new ATOM 0 HD3 LYS A 130 3.132 10.710 5.367 1.00 15.23 H new ATOM 0 HE2 LYS A 130 1.056 12.301 5.312 1.00 15.09 H new ATOM 0 HE3 LYS A 130 0.897 11.801 3.640 1.00 15.09 H new ATOM 0 HZ1 LYS A 130 -0.276 10.128 4.496 1.00 15.23 H new ATOM 0 HZ2 LYS A 130 1.223 9.440 4.899 1.00 15.23 H new ATOM 0 HZ3 LYS A 130 0.357 10.327 6.059 1.00 15.23 H new ATOM 2002 N ALA A 131 4.960 11.584 1.730 1.00 13.87 N ATOM 2003 CA ALA A 131 5.929 10.497 1.726 1.00 13.19 C ATOM 2004 C ALA A 131 7.225 10.910 1.035 1.00 13.49 C ATOM 2005 O ALA A 131 8.318 10.620 1.522 1.00 13.49 O ATOM 2006 CB ALA A 131 5.342 9.259 1.062 1.00 12.14 C ATOM 0 H ALA A 131 4.099 11.384 1.221 1.00 13.87 H new ATOM 0 HA ALA A 131 6.165 10.258 2.763 1.00 13.19 H new ATOM 0 HB1 ALA A 131 6.081 8.458 1.069 1.00 12.14 H new ATOM 0 HB2 ALA A 131 4.455 8.939 1.608 1.00 12.14 H new ATOM 0 HB3 ALA A 131 5.069 9.493 0.033 1.00 12.14 H new ATOM 2012 N MET A 132 7.098 11.616 -0.082 1.00 13.87 N ATOM 2013 CA MET A 132 8.258 12.018 -0.865 1.00 14.40 C ATOM 2014 C MET A 132 8.953 13.213 -0.227 1.00 15.49 C ATOM 2015 O MET A 132 10.125 13.476 -0.492 1.00 16.00 O ATOM 2016 CB MET A 132 7.858 12.333 -2.313 1.00 14.59 C ATOM 2017 CG MET A 132 7.197 13.691 -2.498 1.00 15.65 C ATOM 2018 SD MET A 132 7.219 14.244 -4.215 1.00 16.00 S ATOM 2019 CE MET A 132 5.667 13.575 -4.807 1.00 15.55 C ATOM 0 H MET A 132 6.203 11.921 -0.465 1.00 13.87 H new ATOM 0 HA MET A 132 8.960 11.184 -0.881 1.00 14.40 H new ATOM 0 HB2 MET A 132 8.747 12.286 -2.942 1.00 14.59 H new ATOM 0 HB3 MET A 132 7.177 11.559 -2.666 1.00 14.59 H new ATOM 0 HG2 MET A 132 6.165 13.639 -2.150 1.00 15.65 H new ATOM 0 HG3 MET A 132 7.707 14.427 -1.876 1.00 15.65 H new ATOM 0 HE1 MET A 132 5.647 13.612 -5.896 1.00 15.55 H new ATOM 0 HE2 MET A 132 5.567 12.541 -4.477 1.00 15.55 H new ATOM 0 HE3 MET A 132 4.841 14.164 -4.408 1.00 15.55 H new ATOM 2029 N LYS A 133 8.224 13.942 0.607 1.00 15.95 N ATOM 2030 CA LYS A 133 8.801 15.056 1.339 1.00 17.04 C ATOM 2031 C LYS A 133 9.466 14.575 2.623 1.00 16.95 C ATOM 2032 O LYS A 133 10.622 14.890 2.894 1.00 17.55 O ATOM 2033 CB LYS A 133 7.718 16.085 1.671 1.00 17.76 C ATOM 2034 CG LYS A 133 7.797 17.347 0.828 1.00 18.70 C ATOM 2035 CD LYS A 133 7.745 17.027 -0.657 1.00 18.27 C ATOM 2036 CE LYS A 133 7.542 18.284 -1.488 1.00 18.99 C ATOM 2037 NZ LYS A 133 8.771 18.665 -2.234 1.00 19.60 N ATOM 0 H LYS A 133 7.234 13.781 0.792 1.00 15.95 H new ATOM 0 HA LYS A 133 9.559 15.521 0.709 1.00 17.04 H new ATOM 0 HB2 LYS A 133 6.739 15.627 1.533 1.00 17.76 H new ATOM 0 HB3 LYS A 133 7.797 16.356 2.724 1.00 17.76 H new ATOM 0 HG2 LYS A 133 6.973 18.012 1.087 1.00 18.70 H new ATOM 0 HG3 LYS A 133 8.720 17.880 1.055 1.00 18.70 H new ATOM 0 HD2 LYS A 133 8.670 16.536 -0.958 1.00 18.27 H new ATOM 0 HD3 LYS A 133 6.934 16.325 -0.851 1.00 18.27 H new ATOM 0 HE2 LYS A 133 6.725 18.125 -2.192 1.00 18.99 H new ATOM 0 HE3 LYS A 133 7.245 19.105 -0.836 1.00 18.99 H new ATOM 0 HZ1 LYS A 133 8.588 19.527 -2.787 1.00 19.60 H new ATOM 0 HZ2 LYS A 133 9.544 18.843 -1.562 1.00 19.60 H new ATOM 0 HZ3 LYS A 133 9.041 17.893 -2.876 1.00 19.60 H new ATOM 2051 N GLN A 134 8.724 13.801 3.402 1.00 16.27 N ATOM 2052 CA GLN A 134 9.169 13.385 4.724 1.00 16.27 C ATOM 2053 C GLN A 134 10.107 12.186 4.669 1.00 15.45 C ATOM 2054 O GLN A 134 11.253 12.276 5.106 1.00 15.79 O ATOM 2055 CB GLN A 134 7.963 13.059 5.611 1.00 16.14 C ATOM 2056 CG GLN A 134 7.570 14.189 6.550 1.00 17.25 C ATOM 2057 CD GLN A 134 7.626 15.551 5.885 1.00 18.04 C ATOM 2058 OE1 GLN A 134 8.626 16.261 5.979 1.00 18.75 O ATOM 2059 NE2 GLN A 134 6.552 15.925 5.208 1.00 18.01 N ATOM 0 H GLN A 134 7.805 13.446 3.139 1.00 16.27 H new ATOM 0 HA GLN A 134 9.726 14.219 5.151 1.00 16.27 H new ATOM 0 HB2 GLN A 134 7.112 12.814 4.976 1.00 16.14 H new ATOM 0 HB3 GLN A 134 8.187 12.170 6.201 1.00 16.14 H new ATOM 0 HG2 GLN A 134 6.561 14.012 6.922 1.00 17.25 H new ATOM 0 HG3 GLN A 134 8.233 14.184 7.415 1.00 17.25 H new ATOM 0 HE21 GLN A 134 5.742 15.307 5.154 1.00 18.01 H new ATOM 0 HE22 GLN A 134 6.534 16.831 4.740 1.00 18.01 H new ATOM 2068 N TYR A 135 9.633 11.068 4.128 1.00 14.42 N ATOM 2069 CA TYR A 135 10.406 9.831 4.175 1.00 13.63 C ATOM 2070 C TYR A 135 11.613 9.918 3.250 1.00 13.70 C ATOM 2071 O TYR A 135 12.722 9.525 3.619 1.00 13.69 O ATOM 2072 CB TYR A 135 9.544 8.621 3.799 1.00 12.62 C ATOM 2073 CG TYR A 135 8.191 8.577 4.480 1.00 12.47 C ATOM 2074 CD1 TYR A 135 8.022 9.116 5.747 1.00 12.42 C ATOM 2075 CD2 TYR A 135 7.089 7.997 3.863 1.00 12.60 C ATOM 2076 CE1 TYR A 135 6.798 9.077 6.382 1.00 12.52 C ATOM 2077 CE2 TYR A 135 5.859 7.952 4.494 1.00 12.68 C ATOM 2078 CZ TYR A 135 5.696 8.504 5.704 1.00 12.67 C ATOM 2079 OH TYR A 135 4.503 8.444 6.390 1.00 12.97 O ATOM 0 H TYR A 135 8.731 10.992 3.658 1.00 14.42 H new ATOM 0 HA TYR A 135 10.753 9.698 5.200 1.00 13.63 H new ATOM 0 HB2 TYR A 135 9.393 8.620 2.719 1.00 12.62 H new ATOM 0 HB3 TYR A 135 10.091 7.711 4.046 1.00 12.62 H new ATOM 0 HD1 TYR A 135 8.864 9.574 6.245 1.00 12.42 H new ATOM 0 HD2 TYR A 135 7.195 7.575 2.875 1.00 12.60 H new ATOM 0 HE1 TYR A 135 6.683 9.477 7.379 1.00 12.52 H new ATOM 0 HE2 TYR A 135 5.024 7.469 4.008 1.00 12.68 H new ATOM 0 HH TYR A 135 4.540 7.718 7.047 1.00 12.97 H new ATOM 2089 N LYS A 136 11.394 10.428 2.047 1.00 13.88 N ATOM 2090 CA LYS A 136 12.474 10.572 1.084 1.00 14.15 C ATOM 2091 C LYS A 136 13.482 11.601 1.579 1.00 15.09 C ATOM 2092 O LYS A 136 13.160 12.781 1.737 1.00 15.85 O ATOM 2093 CB LYS A 136 11.927 10.963 -0.289 1.00 14.36 C ATOM 2094 CG LYS A 136 12.870 10.637 -1.436 1.00 14.69 C ATOM 2095 CD LYS A 136 13.585 11.877 -1.946 1.00 15.46 C ATOM 2096 CE LYS A 136 12.620 12.852 -2.600 1.00 15.93 C ATOM 2097 NZ LYS A 136 12.879 14.254 -2.182 1.00 16.56 N ATOM 0 H LYS A 136 10.483 10.747 1.716 1.00 13.88 H new ATOM 0 HA LYS A 136 12.980 9.612 0.981 1.00 14.15 H new ATOM 0 HB2 LYS A 136 10.979 10.450 -0.452 1.00 14.36 H new ATOM 0 HB3 LYS A 136 11.716 12.032 -0.296 1.00 14.36 H new ATOM 0 HG2 LYS A 136 13.605 9.903 -1.105 1.00 14.69 H new ATOM 0 HG3 LYS A 136 12.308 10.180 -2.251 1.00 14.69 H new ATOM 0 HD2 LYS A 136 14.095 12.370 -1.118 1.00 15.46 H new ATOM 0 HD3 LYS A 136 14.351 11.586 -2.665 1.00 15.46 H new ATOM 0 HE2 LYS A 136 12.705 12.775 -3.684 1.00 15.93 H new ATOM 0 HE3 LYS A 136 11.597 12.579 -2.341 1.00 15.93 H new ATOM 0 HZ1 LYS A 136 12.200 14.887 -2.650 1.00 16.56 H new ATOM 0 HZ2 LYS A 136 12.773 14.334 -1.151 1.00 16.56 H new ATOM 0 HZ3 LYS A 136 13.846 14.524 -2.452 1.00 16.56 H new ATOM 2111 N GLY A 137 14.696 11.140 1.833 1.00 15.10 N ATOM 2112 CA GLY A 137 15.713 11.988 2.412 1.00 15.97 C ATOM 2113 C GLY A 137 16.250 11.407 3.704 1.00 15.85 C ATOM 2114 O GLY A 137 17.168 11.960 4.311 1.00 16.53 O ATOM 0 H GLY A 137 14.996 10.183 1.646 1.00 15.10 H new ATOM 0 HA2 GLY A 137 16.530 12.115 1.702 1.00 15.97 H new ATOM 0 HA3 GLY A 137 15.298 12.978 2.602 1.00 15.97 H new ATOM 2118 N VAL A 138 15.665 10.294 4.129 1.00 15.06 N ATOM 2119 CA VAL A 138 16.096 9.611 5.343 1.00 15.00 C ATOM 2120 C VAL A 138 17.065 8.479 5.023 1.00 14.61 C ATOM 2121 O VAL A 138 16.739 7.552 4.271 1.00 13.92 O ATOM 2122 CB VAL A 138 14.890 9.050 6.133 1.00 14.53 C ATOM 2123 CG1 VAL A 138 15.355 8.274 7.359 1.00 14.37 C ATOM 2124 CG2 VAL A 138 13.950 10.175 6.542 1.00 14.92 C ATOM 0 H VAL A 138 14.887 9.843 3.648 1.00 15.06 H new ATOM 0 HA VAL A 138 16.606 10.350 5.960 1.00 15.00 H new ATOM 0 HB VAL A 138 14.349 8.364 5.481 1.00 14.53 H new ATOM 0 HG11 VAL A 138 14.488 7.890 7.897 1.00 14.37 H new ATOM 0 HG12 VAL A 138 15.985 7.442 7.045 1.00 14.37 H new ATOM 0 HG13 VAL A 138 15.925 8.934 8.013 1.00 14.37 H new ATOM 0 HG21 VAL A 138 13.108 9.762 7.097 1.00 14.92 H new ATOM 0 HG22 VAL A 138 14.485 10.886 7.172 1.00 14.92 H new ATOM 0 HG23 VAL A 138 13.583 10.684 5.651 1.00 14.92 H new ATOM 2134 N PRO A 139 18.290 8.567 5.563 1.00 15.15 N ATOM 2135 CA PRO A 139 19.252 7.474 5.508 1.00 14.91 C ATOM 2136 C PRO A 139 18.753 6.297 6.325 1.00 14.45 C ATOM 2137 O PRO A 139 18.568 6.409 7.539 1.00 14.71 O ATOM 2138 CB PRO A 139 20.524 8.066 6.122 1.00 15.76 C ATOM 2139 CG PRO A 139 20.057 9.213 6.949 1.00 16.48 C ATOM 2140 CD PRO A 139 18.827 9.744 6.269 1.00 16.12 C ATOM 0 HA PRO A 139 19.416 7.101 4.497 1.00 14.91 H new ATOM 0 HB2 PRO A 139 21.048 7.329 6.730 1.00 15.76 H new ATOM 0 HB3 PRO A 139 21.219 8.394 5.349 1.00 15.76 H new ATOM 0 HG2 PRO A 139 19.832 8.894 7.967 1.00 16.48 H new ATOM 0 HG3 PRO A 139 20.826 9.982 7.019 1.00 16.48 H new ATOM 0 HD2 PRO A 139 18.111 10.142 6.988 1.00 16.12 H new ATOM 0 HD3 PRO A 139 19.067 10.552 5.578 1.00 16.12 H new ATOM 2148 N LEU A 140 18.532 5.173 5.674 1.00 13.94 N ATOM 2149 CA LEU A 140 17.897 4.052 6.324 1.00 13.62 C ATOM 2150 C LEU A 140 18.771 2.826 6.167 1.00 13.69 C ATOM 2151 O LEU A 140 18.993 2.360 5.049 1.00 13.37 O ATOM 2152 CB LEU A 140 16.513 3.800 5.725 1.00 12.88 C ATOM 2153 CG LEU A 140 15.340 4.115 6.653 1.00 12.84 C ATOM 2154 CD1 LEU A 140 14.254 4.869 5.904 1.00 13.08 C ATOM 2155 CD2 LEU A 140 14.784 2.834 7.257 1.00 12.35 C ATOM 0 H LEU A 140 18.783 5.015 4.698 1.00 13.94 H new ATOM 0 HA LEU A 140 17.771 4.274 7.384 1.00 13.62 H new ATOM 0 HB2 LEU A 140 16.411 4.398 4.820 1.00 12.88 H new ATOM 0 HB3 LEU A 140 16.449 2.754 5.425 1.00 12.88 H new ATOM 0 HG LEU A 140 15.700 4.750 7.462 1.00 12.84 H new ATOM 0 HD11 LEU A 140 13.427 5.084 6.581 1.00 13.08 H new ATOM 0 HD12 LEU A 140 14.660 5.804 5.518 1.00 13.08 H new ATOM 0 HD13 LEU A 140 13.894 4.260 5.074 1.00 13.08 H new ATOM 0 HD21 LEU A 140 13.949 3.075 7.915 1.00 12.35 H new ATOM 0 HD22 LEU A 140 14.439 2.176 6.460 1.00 12.35 H new ATOM 0 HD23 LEU A 140 15.565 2.333 7.829 1.00 12.35 H new ATOM 2167 N ASP A 141 19.247 2.300 7.288 1.00 14.24 N ATOM 2168 CA ASP A 141 20.243 1.235 7.287 1.00 14.50 C ATOM 2169 C ASP A 141 21.424 1.585 6.386 1.00 14.65 C ATOM 2170 O ASP A 141 21.590 1.030 5.298 1.00 14.60 O ATOM 2171 CB ASP A 141 19.624 -0.099 6.861 1.00 14.25 C ATOM 2172 CG ASP A 141 20.167 -1.263 7.664 1.00 14.67 C ATOM 2173 OD1 ASP A 141 20.935 -1.030 8.615 1.00 14.68 O ATOM 2174 OD2 ASP A 141 19.832 -2.422 7.348 1.00 15.08 O ATOM 0 H ASP A 141 18.956 2.597 8.219 1.00 14.24 H new ATOM 0 HA ASP A 141 20.612 1.131 8.308 1.00 14.50 H new ATOM 0 HB2 ASP A 141 18.542 -0.050 6.981 1.00 14.25 H new ATOM 0 HB3 ASP A 141 19.820 -0.267 5.802 1.00 14.25 H new ATOM 2179 N GLY A 142 22.225 2.543 6.827 1.00 14.99 N ATOM 2180 CA GLY A 142 23.434 2.877 6.112 1.00 15.30 C ATOM 2181 C GLY A 142 23.251 4.019 5.136 1.00 15.13 C ATOM 2182 O GLY A 142 23.897 5.059 5.262 1.00 15.53 O ATOM 0 H GLY A 142 22.057 3.094 7.669 1.00 14.99 H new ATOM 0 HA2 GLY A 142 24.212 3.141 6.829 1.00 15.30 H new ATOM 0 HA3 GLY A 142 23.784 1.998 5.571 1.00 15.30 H new ATOM 2186 N ARG A 143 22.368 3.840 4.167 1.00 14.64 N ATOM 2187 CA ARG A 143 22.214 4.814 3.094 1.00 14.58 C ATOM 2188 C ARG A 143 20.784 5.320 3.016 1.00 14.18 C ATOM 2189 O ARG A 143 19.854 4.602 3.373 1.00 13.64 O ATOM 2190 CB ARG A 143 22.596 4.176 1.758 1.00 14.55 C ATOM 2191 CG ARG A 143 23.716 4.896 1.030 1.00 14.62 C ATOM 2192 CD ARG A 143 24.571 3.922 0.244 1.00 15.01 C ATOM 2193 NE ARG A 143 25.396 3.092 1.119 1.00 15.55 N ATOM 2194 CZ ARG A 143 26.724 3.127 1.143 1.00 16.06 C ATOM 2195 NH1 ARG A 143 27.392 3.932 0.321 1.00 16.09 N ATOM 2196 NH2 ARG A 143 27.383 2.352 1.990 1.00 16.66 N ATOM 0 H ARG A 143 21.748 3.033 4.100 1.00 14.64 H new ATOM 0 HA ARG A 143 22.871 5.658 3.306 1.00 14.58 H new ATOM 0 HB2 ARG A 143 22.895 3.142 1.933 1.00 14.55 H new ATOM 0 HB3 ARG A 143 21.716 4.149 1.115 1.00 14.55 H new ATOM 0 HG2 ARG A 143 23.295 5.642 0.355 1.00 14.62 H new ATOM 0 HG3 ARG A 143 24.336 5.431 1.749 1.00 14.62 H new ATOM 0 HD2 ARG A 143 23.929 3.283 -0.363 1.00 15.01 H new ATOM 0 HD3 ARG A 143 25.212 4.474 -0.443 1.00 15.01 H new ATOM 0 HE ARG A 143 24.923 2.446 1.751 1.00 15.55 H new ATOM 0 HH11 ARG A 143 26.885 4.528 -0.333 1.00 16.09 H new ATOM 0 HH12 ARG A 143 28.411 3.954 0.345 1.00 16.09 H new ATOM 0 HH21 ARG A 143 26.871 1.733 2.619 1.00 16.66 H new ATOM 0 HH22 ARG A 143 28.402 2.374 2.014 1.00 16.66 H new ATOM 2210 N PRO A 144 20.581 6.569 2.564 1.00 14.56 N ATOM 2211 CA PRO A 144 19.240 7.090 2.309 1.00 14.25 C ATOM 2212 C PRO A 144 18.503 6.201 1.316 1.00 13.50 C ATOM 2213 O PRO A 144 19.001 5.934 0.218 1.00 13.51 O ATOM 2214 CB PRO A 144 19.492 8.481 1.721 1.00 15.09 C ATOM 2215 CG PRO A 144 20.855 8.853 2.193 1.00 15.66 C ATOM 2216 CD PRO A 144 21.627 7.567 2.281 1.00 15.41 C ATOM 0 HA PRO A 144 18.618 7.123 3.204 1.00 14.25 H new ATOM 0 HB2 PRO A 144 19.441 8.465 0.632 1.00 15.09 H new ATOM 0 HB3 PRO A 144 18.745 9.197 2.065 1.00 15.09 H new ATOM 0 HG2 PRO A 144 21.331 9.548 1.501 1.00 15.66 H new ATOM 0 HG3 PRO A 144 20.811 9.349 3.163 1.00 15.66 H new ATOM 0 HD2 PRO A 144 22.153 7.348 1.352 1.00 15.41 H new ATOM 0 HD3 PRO A 144 22.377 7.600 3.071 1.00 15.41 H new ATOM 2224 N MET A 145 17.319 5.754 1.702 1.00 12.97 N ATOM 2225 CA MET A 145 16.599 4.759 0.922 1.00 12.29 C ATOM 2226 C MET A 145 15.951 5.380 -0.313 1.00 12.48 C ATOM 2227 O MET A 145 15.933 6.601 -0.476 1.00 13.04 O ATOM 2228 CB MET A 145 15.555 4.045 1.794 1.00 11.64 C ATOM 2229 CG MET A 145 14.192 4.716 1.827 1.00 11.69 C ATOM 2230 SD MET A 145 12.853 3.589 1.397 1.00 11.33 S ATOM 2231 CE MET A 145 12.091 3.341 2.998 1.00 11.40 C ATOM 0 H MET A 145 16.837 6.062 2.547 1.00 12.97 H new ATOM 0 HA MET A 145 17.319 4.019 0.573 1.00 12.29 H new ATOM 0 HB2 MET A 145 15.434 3.024 1.431 1.00 11.64 H new ATOM 0 HB3 MET A 145 15.937 3.977 2.813 1.00 11.64 H new ATOM 0 HG2 MET A 145 14.015 5.121 2.823 1.00 11.69 H new ATOM 0 HG3 MET A 145 14.189 5.558 1.135 1.00 11.69 H new ATOM 0 HE1 MET A 145 11.164 2.781 2.877 1.00 11.40 H new ATOM 0 HE2 MET A 145 12.770 2.782 3.642 1.00 11.40 H new ATOM 0 HE3 MET A 145 11.874 4.308 3.452 1.00 11.40 H new ATOM 2241 N ASP A 146 15.429 4.531 -1.177 1.00 12.13 N ATOM 2242 CA ASP A 146 14.806 4.993 -2.405 1.00 12.38 C ATOM 2243 C ASP A 146 13.300 4.961 -2.279 1.00 11.73 C ATOM 2244 O ASP A 146 12.694 3.897 -2.199 1.00 11.11 O ATOM 2245 CB ASP A 146 15.242 4.150 -3.601 1.00 12.64 C ATOM 2246 CG ASP A 146 15.325 4.972 -4.869 1.00 13.31 C ATOM 2247 OD1 ASP A 146 15.648 6.173 -4.786 1.00 13.71 O ATOM 2248 OD2 ASP A 146 15.062 4.420 -5.958 1.00 13.51 O ATOM 0 H ASP A 146 15.423 3.519 -1.053 1.00 12.13 H new ATOM 0 HA ASP A 146 15.131 6.020 -2.573 1.00 12.38 H new ATOM 0 HB2 ASP A 146 16.214 3.702 -3.394 1.00 12.64 H new ATOM 0 HB3 ASP A 146 14.537 3.331 -3.744 1.00 12.64 H new ATOM 2253 N ILE A 147 12.707 6.140 -2.274 1.00 11.99 N ATOM 2254 CA ILE A 147 11.271 6.278 -2.112 1.00 11.55 C ATOM 2255 C ILE A 147 10.722 7.134 -3.234 1.00 12.03 C ATOM 2256 O ILE A 147 10.856 8.358 -3.218 1.00 12.66 O ATOM 2257 CB ILE A 147 10.902 6.930 -0.759 1.00 11.54 C ATOM 2258 CG1 ILE A 147 12.159 7.169 0.089 1.00 12.01 C ATOM 2259 CG2 ILE A 147 9.900 6.062 -0.016 1.00 10.85 C ATOM 2260 CD1 ILE A 147 11.918 7.099 1.583 1.00 11.93 C ATOM 0 H ILE A 147 13.203 7.025 -2.381 1.00 11.99 H new ATOM 0 HA ILE A 147 10.836 5.279 -2.137 1.00 11.55 H new ATOM 0 HB ILE A 147 10.441 7.899 -0.952 1.00 11.54 H new ATOM 0 HG12 ILE A 147 12.913 6.430 -0.182 1.00 12.01 H new ATOM 0 HG13 ILE A 147 12.570 8.148 -0.157 1.00 12.01 H new ATOM 0 HG21 ILE A 147 9.647 6.531 0.935 1.00 10.85 H new ATOM 0 HG22 ILE A 147 8.998 5.952 -0.617 1.00 10.85 H new ATOM 0 HG23 ILE A 147 10.335 5.080 0.168 1.00 10.85 H new ATOM 0 HD11 ILE A 147 12.854 7.279 2.111 1.00 11.93 H new ATOM 0 HD12 ILE A 147 11.189 7.856 1.870 1.00 11.93 H new ATOM 0 HD13 ILE A 147 11.538 6.112 1.844 1.00 11.93 H new ATOM 2272 N GLN A 148 10.105 6.497 -4.206 1.00 11.86 N ATOM 2273 CA GLN A 148 9.603 7.203 -5.365 1.00 12.36 C ATOM 2274 C GLN A 148 8.089 7.273 -5.317 1.00 11.92 C ATOM 2275 O GLN A 148 7.415 6.247 -5.255 1.00 11.28 O ATOM 2276 CB GLN A 148 10.065 6.512 -6.648 1.00 12.71 C ATOM 2277 CG GLN A 148 11.521 6.066 -6.603 1.00 13.36 C ATOM 2278 CD GLN A 148 11.910 5.236 -7.808 1.00 13.82 C ATOM 2279 OE1 GLN A 148 11.311 5.352 -8.872 1.00 14.37 O ATOM 2280 NE2 GLN A 148 12.921 4.399 -7.658 1.00 13.78 N ATOM 0 H GLN A 148 9.939 5.491 -4.217 1.00 11.86 H new ATOM 0 HA GLN A 148 10.000 8.218 -5.357 1.00 12.36 H new ATOM 0 HB2 GLN A 148 9.432 5.644 -6.833 1.00 12.71 H new ATOM 0 HB3 GLN A 148 9.927 7.192 -7.489 1.00 12.71 H new ATOM 0 HG2 GLN A 148 12.165 6.944 -6.547 1.00 13.36 H new ATOM 0 HG3 GLN A 148 11.692 5.486 -5.696 1.00 13.36 H new ATOM 0 HE21 GLN A 148 13.396 4.329 -6.758 1.00 13.78 H new ATOM 0 HE22 GLN A 148 13.227 3.823 -8.442 1.00 13.78 H new ATOM 2289 N LEU A 149 7.565 8.481 -5.330 1.00 12.38 N ATOM 2290 CA LEU A 149 6.131 8.691 -5.263 1.00 12.11 C ATOM 2291 C LEU A 149 5.648 9.238 -6.590 1.00 12.57 C ATOM 2292 O LEU A 149 5.848 10.414 -6.888 1.00 13.35 O ATOM 2293 CB LEU A 149 5.786 9.668 -4.134 1.00 12.48 C ATOM 2294 CG LEU A 149 5.647 9.047 -2.742 1.00 12.21 C ATOM 2295 CD1 LEU A 149 4.772 7.808 -2.794 1.00 11.94 C ATOM 2296 CD2 LEU A 149 7.014 8.717 -2.160 1.00 12.16 C ATOM 0 H LEU A 149 8.114 9.339 -5.387 1.00 12.38 H new ATOM 0 HA LEU A 149 5.637 7.742 -5.057 1.00 12.11 H new ATOM 0 HB2 LEU A 149 6.558 10.436 -4.094 1.00 12.48 H new ATOM 0 HB3 LEU A 149 4.851 10.169 -4.384 1.00 12.48 H new ATOM 0 HG LEU A 149 5.167 9.777 -2.089 1.00 12.21 H new ATOM 0 HD11 LEU A 149 4.686 7.381 -1.795 1.00 11.94 H new ATOM 0 HD12 LEU A 149 3.781 8.077 -3.160 1.00 11.94 H new ATOM 0 HD13 LEU A 149 5.220 7.074 -3.464 1.00 11.94 H new ATOM 0 HD21 LEU A 149 6.891 8.277 -1.170 1.00 12.16 H new ATOM 0 HD22 LEU A 149 7.525 8.009 -2.812 1.00 12.16 H new ATOM 0 HD23 LEU A 149 7.605 9.629 -2.081 1.00 12.16 H new ATOM 2308 N VAL A 150 5.018 8.395 -7.391 1.00 12.18 N ATOM 2309 CA VAL A 150 4.649 8.788 -8.742 1.00 12.66 C ATOM 2310 C VAL A 150 3.189 8.483 -9.043 1.00 12.39 C ATOM 2311 O VAL A 150 2.608 7.544 -8.491 1.00 11.73 O ATOM 2312 CB VAL A 150 5.533 8.091 -9.799 1.00 12.72 C ATOM 2313 CG1 VAL A 150 6.778 8.916 -10.081 1.00 13.21 C ATOM 2314 CG2 VAL A 150 5.908 6.683 -9.355 1.00 12.72 C ATOM 0 H VAL A 150 4.753 7.444 -7.134 1.00 12.18 H new ATOM 0 HA VAL A 150 4.805 9.865 -8.796 1.00 12.66 H new ATOM 0 HB VAL A 150 4.958 8.010 -10.721 1.00 12.72 H new ATOM 0 HG11 VAL A 150 7.389 8.409 -10.828 1.00 13.21 H new ATOM 0 HG12 VAL A 150 6.487 9.898 -10.455 1.00 13.21 H new ATOM 0 HG13 VAL A 150 7.352 9.034 -9.162 1.00 13.21 H new ATOM 0 HG21 VAL A 150 6.530 6.215 -10.117 1.00 12.72 H new ATOM 0 HG22 VAL A 150 6.460 6.732 -8.416 1.00 12.72 H new ATOM 0 HG23 VAL A 150 5.003 6.093 -9.213 1.00 12.72 H new ATOM 2324 N ALA A 151 2.602 9.330 -9.886 1.00 13.01 N ATOM 2325 CA ALA A 151 1.254 9.131 -10.416 1.00 12.96 C ATOM 2326 C ALA A 151 0.205 9.189 -9.310 1.00 13.33 C ATOM 2327 O ALA A 151 -0.909 8.699 -9.469 1.00 13.35 O ATOM 2328 CB ALA A 151 1.159 7.815 -11.181 1.00 12.65 C ATOM 0 H ALA A 151 3.052 10.181 -10.223 1.00 13.01 H new ATOM 0 HA ALA A 151 1.050 9.947 -11.110 1.00 12.96 H new ATOM 0 HB1 ALA A 151 0.147 7.690 -11.565 1.00 12.65 H new ATOM 0 HB2 ALA A 151 1.864 7.826 -12.012 1.00 12.65 H new ATOM 0 HB3 ALA A 151 1.398 6.988 -10.513 1.00 12.65 H new