USER MOD reduce.3.24.130724 H: found=0, std=0, add=1061, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 1063 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 64 HIS : no HE2:sc= 0.439 K(o=-0.082,f=-2.9!) USER MOD Set 1.2: B 164 HIS : no HE2:sc= -0.521 K(o=-0.082,f=-1.5) USER MOD Set 2.1: A 38 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 42 HIS : no HE2:sc= -0.231 K(o=-0.23,f=-2.7!) USER MOD Single : A 5 GLN : amide:sc= -1.32 K(o=-1.3,f=-2.2) USER MOD Single : A 8 HIS : no HD1:sc= -0.815 K(o=-0.81,f=-2.2) USER MOD Single : A 16 LYS NZ :NH3+ -138:sc= 0.462 (180deg=-0.231) USER MOD Single : A 27 SER OG : rot -28:sc= 0.0673 USER MOD Single : A 28 LYS NZ :NH3+ 169:sc= 0.275 (180deg=0.121) USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ -174:sc= 0.115 (180deg=0.0874) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ -109:sc= 1.01 (180deg=-0.137) USER MOD Single : A 50 GLN :FLIP amide:sc= -0.0515 F(o=-0.84,f=-0.051) USER MOD Single : A 52 THR OG1 : rot -73:sc= 1.19 USER MOD Single : A 55 ASN :FLIP amide:sc= 0 F(o=-0.76,f=0) USER MOD Single : A 57 HIS : no HE2:sc= 0.136 K(o=0.14,f=-0.67) USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 HIS : no HE2:sc= 0.0555 K(o=0.055,f=-0.89) USER MOD Single : A 67 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.0171) USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : B 105 GLN : amide:sc= -0.0968 K(o=-0.097,f=-1.7) USER MOD Single : B 108 HIS : no HD1:sc= -1.8 K(o=-1.8,f=-2.9!) USER MOD Single : B 116 LYS NZ :NH3+ -167:sc= -0.0195 (180deg=-0.189) USER MOD Single : B 127 SER OG : rot 180:sc= 0 USER MOD Single : B 128 LYS NZ :NH3+ -109:sc= 0.925 (180deg=-0.237) USER MOD Single : B 135 TYR OH : rot 180:sc= 0 USER MOD Single : B 137 SER OG : rot 180:sc= 0 USER MOD Single : B 138 TYR OH : rot 180:sc= 0 USER MOD Single : B 142 HIS : no HE2:sc= 0.34 K(o=0.34,f=-1.2) USER MOD Single : B 143 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 146 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 148 LYS NZ :NH3+ 161:sc= 0.837 (180deg=0.523) USER MOD Single : B 150 GLN : amide:sc= -0.807 X(o=-0.81,f=-1.1) USER MOD Single : B 152 THR OG1 : rot -73:sc= 0.647 USER MOD Single : B 155 ASN :FLIP amide:sc= -0.0139 F(o=-1.1,f=-0.014) USER MOD Single : B 157 HIS : no HE2:sc= 0.347 K(o=0.35,f=-1.2) USER MOD Single : B 160 TYR OH : rot 140:sc= 0.0981 USER MOD Single : B 166 HIS : no HE2:sc= 0.163 K(o=0.16,f=-0.61) USER MOD Single : B 167 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00396) USER MOD ----------------------------------------------------------------- ATOM 68 N GLN A 5 9.428 -11.765 -8.099 1.00 34.34 N ATOM 69 CA GLN A 5 8.472 -11.916 -6.986 1.00 22.41 C ATOM 70 C GLN A 5 7.764 -10.596 -6.649 1.00 1.13 C ATOM 71 O GLN A 5 6.806 -10.607 -5.893 1.00 72.13 O ATOM 72 CB GLN A 5 9.152 -12.506 -5.705 1.00 74.23 C ATOM 73 CG GLN A 5 10.464 -11.833 -5.207 1.00 20.34 C ATOM 74 CD GLN A 5 10.430 -10.310 -4.966 1.00 64.51 C ATOM 75 OE1 GLN A 5 10.786 -9.530 -5.848 1.00 63.40 O ATOM 76 NE2 GLN A 5 9.950 -9.876 -3.816 1.00 33.23 N ATOM 0 HA GLN A 5 7.719 -12.625 -7.329 1.00 22.41 H new ATOM 0 HB2 GLN A 5 8.426 -12.468 -4.893 1.00 74.23 H new ATOM 0 HB3 GLN A 5 9.365 -13.558 -5.893 1.00 74.23 H new ATOM 0 HG2 GLN A 5 10.758 -12.316 -4.275 1.00 20.34 H new ATOM 0 HG3 GLN A 5 11.248 -12.042 -5.935 1.00 20.34 H new ATOM 0 HE21 GLN A 5 9.661 -10.542 -3.100 1.00 33.23 H new ATOM 0 HE22 GLN A 5 9.868 -8.874 -3.643 1.00 33.23 H new ATOM 85 N LEU A 6 8.310 -9.463 -7.147 1.00 33.31 N ATOM 86 CA LEU A 6 7.787 -8.137 -6.844 1.00 43.21 C ATOM 87 C LEU A 6 6.387 -7.988 -7.461 1.00 1.41 C ATOM 88 O LEU A 6 6.230 -7.812 -8.681 1.00 12.40 O ATOM 89 CB LEU A 6 8.754 -7.023 -7.322 1.00 25.43 C ATOM 90 CG LEU A 6 8.426 -5.607 -6.761 1.00 23.04 C ATOM 91 CD1 LEU A 6 8.643 -5.534 -5.233 1.00 51.01 C ATOM 92 CD2 LEU A 6 9.215 -4.511 -7.496 1.00 55.11 C ATOM 0 H LEU A 6 9.121 -9.456 -7.766 1.00 33.31 H new ATOM 0 HA LEU A 6 7.702 -8.026 -5.763 1.00 43.21 H new ATOM 0 HB2 LEU A 6 9.770 -7.290 -7.031 1.00 25.43 H new ATOM 0 HB3 LEU A 6 8.734 -6.983 -8.411 1.00 25.43 H new ATOM 0 HG LEU A 6 7.367 -5.425 -6.946 1.00 23.04 H new ATOM 0 HD11 LEU A 6 8.404 -4.531 -4.879 1.00 51.01 H new ATOM 0 HD12 LEU A 6 7.995 -6.257 -4.738 1.00 51.01 H new ATOM 0 HD13 LEU A 6 9.684 -5.762 -5.002 1.00 51.01 H new ATOM 0 HD21 LEU A 6 8.961 -3.537 -7.078 1.00 55.11 H new ATOM 0 HD22 LEU A 6 10.284 -4.689 -7.376 1.00 55.11 H new ATOM 0 HD23 LEU A 6 8.961 -4.528 -8.556 1.00 55.11 H new ATOM 104 N LEU A 7 5.386 -8.055 -6.580 1.00 2.54 N ATOM 105 CA LEU A 7 3.981 -8.300 -6.931 1.00 44.13 C ATOM 106 C LEU A 7 3.098 -7.115 -6.533 1.00 3.03 C ATOM 107 O LEU A 7 3.582 -6.002 -6.323 1.00 12.42 O ATOM 108 CB LEU A 7 3.537 -9.644 -6.259 1.00 64.12 C ATOM 109 CG LEU A 7 3.944 -9.851 -4.748 1.00 3.03 C ATOM 110 CD1 LEU A 7 2.993 -9.147 -3.755 1.00 74.11 C ATOM 111 CD2 LEU A 7 4.107 -11.347 -4.416 1.00 43.21 C ATOM 0 H LEU A 7 5.531 -7.938 -5.577 1.00 2.54 H new ATOM 0 HA LEU A 7 3.869 -8.397 -8.011 1.00 44.13 H new ATOM 0 HB2 LEU A 7 2.452 -9.718 -6.332 1.00 64.12 H new ATOM 0 HB3 LEU A 7 3.953 -10.468 -6.839 1.00 64.12 H new ATOM 0 HG LEU A 7 4.913 -9.367 -4.623 1.00 3.03 H new ATOM 0 HD11 LEU A 7 3.331 -9.330 -2.735 1.00 74.11 H new ATOM 0 HD12 LEU A 7 2.993 -8.075 -3.950 1.00 74.11 H new ATOM 0 HD13 LEU A 7 1.983 -9.539 -3.878 1.00 74.11 H new ATOM 0 HD21 LEU A 7 4.388 -11.459 -3.369 1.00 43.21 H new ATOM 0 HD22 LEU A 7 3.165 -11.865 -4.597 1.00 43.21 H new ATOM 0 HD23 LEU A 7 4.884 -11.777 -5.048 1.00 43.21 H new ATOM 123 N HIS A 8 1.786 -7.363 -6.498 1.00 61.05 N ATOM 124 CA HIS A 8 0.789 -6.369 -6.114 1.00 55.15 C ATOM 125 C HIS A 8 0.378 -6.618 -4.654 1.00 52.15 C ATOM 126 O HIS A 8 -0.109 -7.708 -4.337 1.00 44.12 O ATOM 127 CB HIS A 8 -0.446 -6.472 -7.043 1.00 41.13 C ATOM 128 CG HIS A 8 -0.184 -6.241 -8.518 1.00 15.40 C ATOM 129 ND1 HIS A 8 -1.189 -6.216 -9.464 1.00 71.11 N ATOM 130 CD2 HIS A 8 0.968 -6.081 -9.212 1.00 21.44 C ATOM 131 CE1 HIS A 8 -0.659 -6.061 -10.664 1.00 11.43 C ATOM 132 NE2 HIS A 8 0.641 -5.976 -10.535 1.00 62.43 N ATOM 0 H HIS A 8 1.385 -8.270 -6.738 1.00 61.05 H new ATOM 0 HA HIS A 8 1.209 -5.368 -6.210 1.00 55.15 H new ATOM 0 HB2 HIS A 8 -0.886 -7.462 -6.922 1.00 41.13 H new ATOM 0 HB3 HIS A 8 -1.190 -5.749 -6.708 1.00 41.13 H new ATOM 0 HD2 HIS A 8 1.964 -6.043 -8.796 1.00 21.44 H new ATOM 0 HE1 HIS A 8 -1.206 -6.013 -11.594 1.00 11.43 H new ATOM 0 HE2 HIS A 8 1.304 -5.851 -11.300 1.00 62.43 H new ATOM 141 N ILE A 9 0.611 -5.627 -3.772 1.00 40.31 N ATOM 142 CA ILE A 9 0.127 -5.671 -2.374 1.00 55.21 C ATOM 143 C ILE A 9 -1.391 -5.402 -2.336 1.00 14.34 C ATOM 144 O ILE A 9 -1.980 -4.962 -3.323 1.00 34.42 O ATOM 145 CB ILE A 9 0.866 -4.625 -1.447 1.00 23.04 C ATOM 146 CG1 ILE A 9 0.569 -3.154 -1.903 1.00 31.33 C ATOM 147 CG2 ILE A 9 2.387 -4.909 -1.399 1.00 73.15 C ATOM 148 CD1 ILE A 9 1.236 -2.059 -1.077 1.00 72.21 C ATOM 0 H ILE A 9 1.134 -4.782 -4.002 1.00 40.31 H new ATOM 0 HA ILE A 9 0.346 -6.667 -1.990 1.00 55.21 H new ATOM 0 HB ILE A 9 0.476 -4.736 -0.435 1.00 23.04 H new ATOM 0 HG12 ILE A 9 0.884 -3.044 -2.941 1.00 31.33 H new ATOM 0 HG13 ILE A 9 -0.509 -2.996 -1.879 1.00 31.33 H new ATOM 0 HG21 ILE A 9 2.874 -4.176 -0.755 1.00 73.15 H new ATOM 0 HG22 ILE A 9 2.558 -5.910 -1.003 1.00 73.15 H new ATOM 0 HG23 ILE A 9 2.802 -4.841 -2.405 1.00 73.15 H new ATOM 0 HD11 ILE A 9 0.963 -1.083 -1.479 1.00 72.21 H new ATOM 0 HD12 ILE A 9 0.904 -2.131 -0.041 1.00 72.21 H new ATOM 0 HD13 ILE A 9 2.318 -2.179 -1.120 1.00 72.21 H new ATOM 160 N VAL A 10 -2.005 -5.644 -1.179 1.00 5.53 N ATOM 161 CA VAL A 10 -3.457 -5.476 -0.978 1.00 34.12 C ATOM 162 C VAL A 10 -3.733 -4.383 0.061 1.00 32.32 C ATOM 163 O VAL A 10 -3.159 -4.375 1.158 1.00 50.20 O ATOM 164 CB VAL A 10 -4.148 -6.836 -0.576 1.00 71.12 C ATOM 165 CG1 VAL A 10 -4.498 -7.655 -1.824 1.00 54.12 C ATOM 166 CG2 VAL A 10 -3.246 -7.659 0.377 1.00 34.12 C ATOM 0 H VAL A 10 -1.513 -5.964 -0.345 1.00 5.53 H new ATOM 0 HA VAL A 10 -3.893 -5.163 -1.927 1.00 34.12 H new ATOM 0 HB VAL A 10 -5.071 -6.599 -0.047 1.00 71.12 H new ATOM 0 HG11 VAL A 10 -4.974 -8.589 -1.525 1.00 54.12 H new ATOM 0 HG12 VAL A 10 -5.182 -7.085 -2.453 1.00 54.12 H new ATOM 0 HG13 VAL A 10 -3.588 -7.874 -2.383 1.00 54.12 H new ATOM 0 HG21 VAL A 10 -3.747 -8.591 0.638 1.00 34.12 H new ATOM 0 HG22 VAL A 10 -2.301 -7.881 -0.118 1.00 34.12 H new ATOM 0 HG23 VAL A 10 -3.054 -7.084 1.283 1.00 34.12 H new ATOM 176 N VAL A 11 -4.622 -3.461 -0.318 1.00 45.04 N ATOM 177 CA VAL A 11 -5.001 -2.301 0.500 1.00 63.11 C ATOM 178 C VAL A 11 -6.429 -1.866 0.138 1.00 32.22 C ATOM 179 O VAL A 11 -6.863 -2.010 -1.013 1.00 45.11 O ATOM 180 CB VAL A 11 -4.000 -1.094 0.298 1.00 72.03 C ATOM 181 CG1 VAL A 11 -3.930 -0.667 -1.180 1.00 31.41 C ATOM 182 CG2 VAL A 11 -4.340 0.109 1.224 1.00 73.42 C ATOM 0 H VAL A 11 -5.107 -3.498 -1.215 1.00 45.04 H new ATOM 0 HA VAL A 11 -4.957 -2.594 1.549 1.00 63.11 H new ATOM 0 HB VAL A 11 -3.010 -1.446 0.589 1.00 72.03 H new ATOM 0 HG11 VAL A 11 -3.234 0.165 -1.286 1.00 31.41 H new ATOM 0 HG12 VAL A 11 -3.588 -1.506 -1.785 1.00 31.41 H new ATOM 0 HG13 VAL A 11 -4.919 -0.357 -1.516 1.00 31.41 H new ATOM 0 HG21 VAL A 11 -3.626 0.915 1.051 1.00 73.42 H new ATOM 0 HG22 VAL A 11 -5.347 0.463 1.005 1.00 73.42 H new ATOM 0 HG23 VAL A 11 -4.285 -0.207 2.266 1.00 73.42 H new ATOM 192 N GLY A 12 -7.148 -1.360 1.132 1.00 65.43 N ATOM 193 CA GLY A 12 -8.453 -0.756 0.921 1.00 22.20 C ATOM 194 C GLY A 12 -8.813 0.163 2.064 1.00 43.01 C ATOM 195 O GLY A 12 -8.037 1.059 2.406 1.00 71.43 O ATOM 0 H GLY A 12 -6.842 -1.358 2.105 1.00 65.43 H new ATOM 0 HA2 GLY A 12 -8.452 -0.196 -0.014 1.00 22.20 H new ATOM 0 HA3 GLY A 12 -9.208 -1.536 0.825 1.00 22.20 H new ATOM 199 N GLY A 13 -9.982 -0.073 2.662 1.00 63.43 N ATOM 200 CA GLY A 13 -10.489 0.737 3.764 1.00 74.51 C ATOM 201 C GLY A 13 -11.741 1.457 3.342 1.00 40.41 C ATOM 202 O GLY A 13 -12.222 1.249 2.222 1.00 73.53 O ATOM 0 H GLY A 13 -10.604 -0.835 2.392 1.00 63.43 H new ATOM 0 HA2 GLY A 13 -10.698 0.103 4.626 1.00 74.51 H new ATOM 0 HA3 GLY A 13 -9.732 1.458 4.074 1.00 74.51 H new ATOM 206 N GLU A 14 -12.276 2.302 4.225 1.00 15.22 N ATOM 207 CA GLU A 14 -13.525 3.036 3.966 1.00 12.14 C ATOM 208 C GLU A 14 -13.295 4.187 2.997 1.00 54.11 C ATOM 209 O GLU A 14 -12.270 4.863 3.064 1.00 72.31 O ATOM 210 CB GLU A 14 -14.151 3.539 5.284 1.00 30.51 C ATOM 211 CG GLU A 14 -14.852 2.427 6.091 1.00 52.43 C ATOM 212 CD GLU A 14 -15.316 2.898 7.465 1.00 0.14 C ATOM 213 OE1 GLU A 14 -16.213 3.752 7.523 1.00 3.10 O ATOM 214 OE2 GLU A 14 -14.774 2.438 8.487 1.00 22.33 O ATOM 0 H GLU A 14 -11.862 2.499 5.136 1.00 15.22 H new ATOM 0 HA GLU A 14 -14.228 2.346 3.500 1.00 12.14 H new ATOM 0 HB2 GLU A 14 -13.372 3.989 5.900 1.00 30.51 H new ATOM 0 HB3 GLU A 14 -14.872 4.324 5.059 1.00 30.51 H new ATOM 0 HG2 GLU A 14 -15.711 2.062 5.528 1.00 52.43 H new ATOM 0 HG3 GLU A 14 -14.169 1.586 6.212 1.00 52.43 H new ATOM 221 N LEU A 15 -14.251 4.344 2.071 1.00 70.31 N ATOM 222 CA LEU A 15 -14.299 5.417 1.066 1.00 42.10 C ATOM 223 C LEU A 15 -15.437 6.386 1.422 1.00 0.21 C ATOM 224 O LEU A 15 -16.252 6.121 2.313 1.00 22.33 O ATOM 225 CB LEU A 15 -14.496 4.815 -0.365 1.00 30.02 C ATOM 226 CG LEU A 15 -13.215 4.268 -1.080 1.00 34.10 C ATOM 227 CD1 LEU A 15 -12.427 3.263 -0.231 1.00 33.51 C ATOM 228 CD2 LEU A 15 -13.579 3.650 -2.435 1.00 43.03 C ATOM 0 H LEU A 15 -15.042 3.704 1.998 1.00 70.31 H new ATOM 0 HA LEU A 15 -13.356 5.964 1.065 1.00 42.10 H new ATOM 0 HB2 LEU A 15 -15.220 4.003 -0.296 1.00 30.02 H new ATOM 0 HB3 LEU A 15 -14.938 5.583 -0.999 1.00 30.02 H new ATOM 0 HG LEU A 15 -12.560 5.126 -1.233 1.00 34.10 H new ATOM 0 HD11 LEU A 15 -11.552 2.924 -0.786 1.00 33.51 H new ATOM 0 HD12 LEU A 15 -12.106 3.741 0.695 1.00 33.51 H new ATOM 0 HD13 LEU A 15 -13.061 2.408 0.003 1.00 33.51 H new ATOM 0 HD21 LEU A 15 -12.677 3.275 -2.918 1.00 43.03 H new ATOM 0 HD22 LEU A 15 -14.278 2.828 -2.284 1.00 43.03 H new ATOM 0 HD23 LEU A 15 -14.041 4.407 -3.068 1.00 43.03 H new ATOM 240 N LYS A 16 -15.477 7.523 0.732 1.00 65.23 N ATOM 241 CA LYS A 16 -16.511 8.552 0.943 1.00 34.11 C ATOM 242 C LYS A 16 -17.797 8.167 0.190 1.00 4.10 C ATOM 243 O LYS A 16 -18.886 8.658 0.512 1.00 31.41 O ATOM 244 CB LYS A 16 -15.990 9.944 0.489 1.00 11.34 C ATOM 245 CG LYS A 16 -14.729 10.415 1.248 1.00 51.03 C ATOM 246 CD LYS A 16 -14.320 11.867 0.922 1.00 71.32 C ATOM 247 CE LYS A 16 -13.017 12.283 1.619 1.00 23.23 C ATOM 248 NZ LYS A 16 -13.083 12.198 3.099 1.00 64.12 N ATOM 0 H LYS A 16 -14.798 7.764 0.010 1.00 65.23 H new ATOM 0 HA LYS A 16 -16.742 8.612 2.006 1.00 34.11 H new ATOM 0 HB2 LYS A 16 -15.769 9.909 -0.578 1.00 11.34 H new ATOM 0 HB3 LYS A 16 -16.782 10.681 0.626 1.00 11.34 H new ATOM 0 HG2 LYS A 16 -14.906 10.328 2.320 1.00 51.03 H new ATOM 0 HG3 LYS A 16 -13.900 9.750 1.007 1.00 51.03 H new ATOM 0 HD2 LYS A 16 -14.201 11.974 -0.156 1.00 71.32 H new ATOM 0 HD3 LYS A 16 -15.121 12.543 1.223 1.00 71.32 H new ATOM 0 HE2 LYS A 16 -12.205 11.649 1.263 1.00 23.23 H new ATOM 0 HE3 LYS A 16 -12.772 13.306 1.332 1.00 23.23 H new ATOM 0 HZ1 LYS A 16 -12.622 13.032 3.516 1.00 64.12 H new ATOM 0 HZ2 LYS A 16 -14.078 12.165 3.401 1.00 64.12 H new ATOM 0 HZ3 LYS A 16 -12.596 11.337 3.419 1.00 64.12 H new ATOM 262 N ASP A 17 -17.652 7.257 -0.791 1.00 63.55 N ATOM 263 CA ASP A 17 -18.761 6.790 -1.631 1.00 11.13 C ATOM 264 C ASP A 17 -18.448 5.380 -2.186 1.00 15.01 C ATOM 265 O ASP A 17 -17.295 4.938 -2.162 1.00 72.22 O ATOM 266 CB ASP A 17 -19.004 7.807 -2.780 1.00 63.13 C ATOM 267 CG ASP A 17 -20.274 7.520 -3.587 1.00 71.01 C ATOM 268 OD1 ASP A 17 -21.377 7.724 -3.044 1.00 74.22 O ATOM 269 OD2 ASP A 17 -20.183 7.061 -4.739 1.00 71.45 O ATOM 0 H ASP A 17 -16.757 6.826 -1.021 1.00 63.55 H new ATOM 0 HA ASP A 17 -19.670 6.720 -1.034 1.00 11.13 H new ATOM 0 HB2 ASP A 17 -19.068 8.811 -2.360 1.00 63.13 H new ATOM 0 HB3 ASP A 17 -18.146 7.797 -3.452 1.00 63.13 H new ATOM 274 N VAL A 18 -19.495 4.673 -2.653 1.00 2.15 N ATOM 275 CA VAL A 18 -19.364 3.341 -3.286 1.00 75.55 C ATOM 276 C VAL A 18 -18.640 3.422 -4.659 1.00 45.11 C ATOM 277 O VAL A 18 -17.768 2.598 -4.962 1.00 15.33 O ATOM 278 CB VAL A 18 -20.774 2.649 -3.453 1.00 13.14 C ATOM 279 CG1 VAL A 18 -21.387 2.277 -2.082 1.00 10.12 C ATOM 280 CG2 VAL A 18 -21.763 3.525 -4.268 1.00 13.23 C ATOM 0 H VAL A 18 -20.457 5.007 -2.603 1.00 2.15 H new ATOM 0 HA VAL A 18 -18.753 2.732 -2.620 1.00 75.55 H new ATOM 0 HB VAL A 18 -20.605 1.731 -4.016 1.00 13.14 H new ATOM 0 HG11 VAL A 18 -22.357 1.803 -2.234 1.00 10.12 H new ATOM 0 HG12 VAL A 18 -20.723 1.587 -1.562 1.00 10.12 H new ATOM 0 HG13 VAL A 18 -21.514 3.179 -1.483 1.00 10.12 H new ATOM 0 HG21 VAL A 18 -22.719 3.008 -4.357 1.00 13.23 H new ATOM 0 HG22 VAL A 18 -21.911 4.477 -3.758 1.00 13.23 H new ATOM 0 HG23 VAL A 18 -21.355 3.706 -5.262 1.00 13.23 H new ATOM 290 N ALA A 19 -19.016 4.429 -5.460 1.00 42.04 N ATOM 291 CA ALA A 19 -18.431 4.702 -6.786 1.00 44.45 C ATOM 292 C ALA A 19 -17.205 5.615 -6.645 1.00 11.32 C ATOM 293 O ALA A 19 -16.251 5.527 -7.436 1.00 54.41 O ATOM 294 CB ALA A 19 -19.490 5.351 -7.693 1.00 45.32 C ATOM 0 H ALA A 19 -19.749 5.090 -5.202 1.00 42.04 H new ATOM 0 HA ALA A 19 -18.108 3.764 -7.238 1.00 44.45 H new ATOM 0 HB1 ALA A 19 -19.056 5.552 -8.673 1.00 45.32 H new ATOM 0 HB2 ALA A 19 -20.338 4.675 -7.804 1.00 45.32 H new ATOM 0 HB3 ALA A 19 -19.827 6.286 -7.247 1.00 45.32 H new ATOM 300 N GLY A 20 -17.256 6.478 -5.617 1.00 64.34 N ATOM 301 CA GLY A 20 -16.186 7.429 -5.334 1.00 21.13 C ATOM 302 C GLY A 20 -14.993 6.746 -4.684 1.00 33.42 C ATOM 303 O GLY A 20 -15.088 6.324 -3.529 1.00 21.22 O ATOM 0 H GLY A 20 -18.039 6.531 -4.966 1.00 64.34 H new ATOM 0 HA2 GLY A 20 -15.871 7.911 -6.260 1.00 21.13 H new ATOM 0 HA3 GLY A 20 -16.560 8.214 -4.677 1.00 21.13 H new ATOM 307 N VAL A 21 -13.850 6.680 -5.412 1.00 44.11 N ATOM 308 CA VAL A 21 -12.639 5.913 -5.001 1.00 25.03 C ATOM 309 C VAL A 21 -11.802 6.683 -3.929 1.00 74.12 C ATOM 310 O VAL A 21 -10.701 6.277 -3.545 1.00 1.54 O ATOM 311 CB VAL A 21 -11.759 5.537 -6.271 1.00 61.50 C ATOM 312 CG1 VAL A 21 -10.692 4.459 -5.956 1.00 72.42 C ATOM 313 CG2 VAL A 21 -12.644 5.071 -7.452 1.00 35.21 C ATOM 0 H VAL A 21 -13.738 7.159 -6.306 1.00 44.11 H new ATOM 0 HA VAL A 21 -12.972 4.986 -4.534 1.00 25.03 H new ATOM 0 HB VAL A 21 -11.236 6.449 -6.558 1.00 61.50 H new ATOM 0 HG11 VAL A 21 -10.119 4.239 -6.857 1.00 72.42 H new ATOM 0 HG12 VAL A 21 -10.021 4.827 -5.180 1.00 72.42 H new ATOM 0 HG13 VAL A 21 -11.184 3.551 -5.609 1.00 72.42 H new ATOM 0 HG21 VAL A 21 -12.012 4.822 -8.304 1.00 35.21 H new ATOM 0 HG22 VAL A 21 -13.215 4.192 -7.154 1.00 35.21 H new ATOM 0 HG23 VAL A 21 -13.330 5.871 -7.731 1.00 35.21 H new ATOM 323 N GLU A 22 -12.397 7.745 -3.380 1.00 61.41 N ATOM 324 CA GLU A 22 -11.749 8.656 -2.435 1.00 33.24 C ATOM 325 C GLU A 22 -11.848 8.065 -1.036 1.00 11.05 C ATOM 326 O GLU A 22 -12.949 7.958 -0.510 1.00 71.51 O ATOM 327 CB GLU A 22 -12.436 10.058 -2.472 1.00 3.32 C ATOM 328 CG GLU A 22 -12.140 10.896 -3.729 1.00 5.12 C ATOM 329 CD GLU A 22 -12.571 10.218 -5.037 1.00 23.03 C ATOM 330 OE1 GLU A 22 -13.772 9.916 -5.186 1.00 63.14 O ATOM 331 OE2 GLU A 22 -11.717 9.980 -5.916 1.00 13.22 O ATOM 0 H GLU A 22 -13.363 8.000 -3.585 1.00 61.41 H new ATOM 0 HA GLU A 22 -10.702 8.781 -2.711 1.00 33.24 H new ATOM 0 HB2 GLU A 22 -13.514 9.920 -2.392 1.00 3.32 H new ATOM 0 HB3 GLU A 22 -12.121 10.623 -1.595 1.00 3.32 H new ATOM 0 HG2 GLU A 22 -12.648 11.856 -3.643 1.00 5.12 H new ATOM 0 HG3 GLU A 22 -11.071 11.104 -3.773 1.00 5.12 H new ATOM 338 N PHE A 23 -10.703 7.672 -0.468 1.00 73.22 N ATOM 339 CA PHE A 23 -10.628 7.122 0.892 1.00 34.13 C ATOM 340 C PHE A 23 -11.201 8.121 1.928 1.00 1.04 C ATOM 341 O PHE A 23 -10.757 9.267 2.000 1.00 22.21 O ATOM 342 CB PHE A 23 -9.161 6.770 1.220 1.00 63.11 C ATOM 343 CG PHE A 23 -8.526 5.703 0.314 1.00 43.43 C ATOM 344 CD1 PHE A 23 -9.217 4.539 -0.026 1.00 54.42 C ATOM 345 CD2 PHE A 23 -7.222 5.845 -0.164 1.00 21.22 C ATOM 346 CE1 PHE A 23 -8.631 3.560 -0.813 1.00 61.14 C ATOM 347 CE2 PHE A 23 -6.639 4.871 -0.953 1.00 23.43 C ATOM 348 CZ PHE A 23 -7.342 3.728 -1.276 1.00 25.31 C ATOM 0 H PHE A 23 -9.800 7.726 -0.938 1.00 73.22 H new ATOM 0 HA PHE A 23 -11.233 6.217 0.943 1.00 34.13 H new ATOM 0 HB2 PHE A 23 -8.563 7.679 1.158 1.00 63.11 H new ATOM 0 HB3 PHE A 23 -9.109 6.425 2.253 1.00 63.11 H new ATOM 0 HD1 PHE A 23 -10.227 4.399 0.331 1.00 54.42 H new ATOM 0 HD2 PHE A 23 -6.659 6.732 0.087 1.00 21.22 H new ATOM 0 HE1 PHE A 23 -9.183 2.666 -1.064 1.00 61.14 H new ATOM 0 HE2 PHE A 23 -5.631 5.005 -1.317 1.00 23.43 H new ATOM 0 HZ PHE A 23 -6.884 2.967 -1.890 1.00 25.31 H new ATOM 358 N ARG A 24 -12.216 7.660 2.682 1.00 2.45 N ATOM 359 CA ARG A 24 -12.923 8.434 3.728 1.00 4.42 C ATOM 360 C ARG A 24 -11.944 9.078 4.714 1.00 50.44 C ATOM 361 O ARG A 24 -12.077 10.258 5.053 1.00 43.40 O ATOM 362 CB ARG A 24 -13.928 7.503 4.468 1.00 24.01 C ATOM 363 CG ARG A 24 -14.729 8.140 5.621 1.00 53.40 C ATOM 364 CD ARG A 24 -15.773 7.183 6.243 1.00 62.33 C ATOM 365 NE ARG A 24 -16.474 7.828 7.372 1.00 15.13 N ATOM 366 CZ ARG A 24 -17.383 7.253 8.179 1.00 54.25 C ATOM 367 NH1 ARG A 24 -17.755 5.990 8.012 1.00 73.21 N ATOM 368 NH2 ARG A 24 -17.870 7.943 9.197 1.00 24.53 N ATOM 0 H ARG A 24 -12.580 6.713 2.580 1.00 2.45 H new ATOM 0 HA ARG A 24 -13.470 9.246 3.249 1.00 4.42 H new ATOM 0 HB2 ARG A 24 -14.635 7.112 3.736 1.00 24.01 H new ATOM 0 HB3 ARG A 24 -13.376 6.651 4.865 1.00 24.01 H new ATOM 0 HG2 ARG A 24 -14.037 8.466 6.398 1.00 53.40 H new ATOM 0 HG3 ARG A 24 -15.237 9.031 5.252 1.00 53.40 H new ATOM 0 HD2 ARG A 24 -16.496 6.884 5.484 1.00 62.33 H new ATOM 0 HD3 ARG A 24 -15.279 6.274 6.588 1.00 62.33 H new ATOM 0 HE ARG A 24 -16.246 8.805 7.558 1.00 15.13 H new ATOM 0 HH11 ARG A 24 -17.349 5.434 7.259 1.00 73.21 H new ATOM 0 HH12 ARG A 24 -18.446 5.575 8.637 1.00 73.21 H new ATOM 0 HH21 ARG A 24 -17.555 8.899 9.362 1.00 24.53 H new ATOM 0 HH22 ARG A 24 -18.560 7.519 9.817 1.00 24.53 H new ATOM 382 N ASP A 25 -10.936 8.294 5.110 1.00 74.25 N ATOM 383 CA ASP A 25 -9.883 8.733 6.018 1.00 13.23 C ATOM 384 C ASP A 25 -8.640 7.866 5.779 1.00 34.22 C ATOM 385 O ASP A 25 -8.740 6.641 5.664 1.00 11.54 O ATOM 386 CB ASP A 25 -10.370 8.653 7.491 1.00 12.43 C ATOM 387 CG ASP A 25 -9.296 9.037 8.518 1.00 33.44 C ATOM 388 OD1 ASP A 25 -8.992 10.238 8.653 1.00 22.52 O ATOM 389 OD2 ASP A 25 -8.737 8.136 9.172 1.00 10.40 O ATOM 0 H ASP A 25 -10.831 7.327 4.803 1.00 74.25 H new ATOM 0 HA ASP A 25 -9.627 9.775 5.825 1.00 13.23 H new ATOM 0 HB2 ASP A 25 -11.231 9.310 7.616 1.00 12.43 H new ATOM 0 HB3 ASP A 25 -10.711 7.638 7.697 1.00 12.43 H new ATOM 394 N LEU A 26 -7.474 8.521 5.705 1.00 14.11 N ATOM 395 CA LEU A 26 -6.187 7.890 5.367 1.00 34.01 C ATOM 396 C LEU A 26 -5.507 7.212 6.578 1.00 31.30 C ATOM 397 O LEU A 26 -4.341 6.814 6.497 1.00 33.31 O ATOM 398 CB LEU A 26 -5.255 8.945 4.727 1.00 1.14 C ATOM 399 CG LEU A 26 -5.708 9.539 3.342 1.00 60.34 C ATOM 400 CD1 LEU A 26 -5.992 8.431 2.306 1.00 32.43 C ATOM 401 CD2 LEU A 26 -6.889 10.532 3.471 1.00 65.32 C ATOM 0 H LEU A 26 -7.395 9.523 5.881 1.00 14.11 H new ATOM 0 HA LEU A 26 -6.388 7.090 4.654 1.00 34.01 H new ATOM 0 HB2 LEU A 26 -5.141 9.770 5.430 1.00 1.14 H new ATOM 0 HB3 LEU A 26 -4.270 8.496 4.599 1.00 1.14 H new ATOM 0 HG LEU A 26 -4.865 10.120 2.968 1.00 60.34 H new ATOM 0 HD11 LEU A 26 -6.302 8.884 1.364 1.00 32.43 H new ATOM 0 HD12 LEU A 26 -5.089 7.843 2.146 1.00 32.43 H new ATOM 0 HD13 LEU A 26 -6.787 7.783 2.675 1.00 32.43 H new ATOM 0 HD21 LEU A 26 -7.157 10.909 2.484 1.00 65.32 H new ATOM 0 HD22 LEU A 26 -7.747 10.022 3.910 1.00 65.32 H new ATOM 0 HD23 LEU A 26 -6.596 11.365 4.110 1.00 65.32 H new ATOM 413 N SER A 27 -6.225 7.105 7.695 1.00 45.33 N ATOM 414 CA SER A 27 -5.861 6.213 8.820 1.00 73.42 C ATOM 415 C SER A 27 -6.922 5.096 8.963 1.00 72.12 C ATOM 416 O SER A 27 -6.706 4.114 9.682 1.00 71.03 O ATOM 417 CB SER A 27 -5.704 7.034 10.128 1.00 34.23 C ATOM 418 OG SER A 27 -5.248 6.240 11.216 1.00 53.33 O ATOM 0 H SER A 27 -7.082 7.633 7.856 1.00 45.33 H new ATOM 0 HA SER A 27 -4.900 5.740 8.617 1.00 73.42 H new ATOM 0 HB2 SER A 27 -5.002 7.851 9.959 1.00 34.23 H new ATOM 0 HB3 SER A 27 -6.662 7.485 10.388 1.00 34.23 H new ATOM 0 HG SER A 27 -5.540 5.313 11.089 1.00 53.33 H new ATOM 424 N LYS A 28 -8.081 5.267 8.280 1.00 24.54 N ATOM 425 CA LYS A 28 -9.098 4.200 8.108 1.00 15.31 C ATOM 426 C LYS A 28 -8.677 3.203 7.020 1.00 4.15 C ATOM 427 O LYS A 28 -9.224 2.097 6.961 1.00 64.54 O ATOM 428 CB LYS A 28 -10.494 4.807 7.746 1.00 65.21 C ATOM 429 CG LYS A 28 -11.379 5.150 8.953 1.00 50.31 C ATOM 430 CD LYS A 28 -11.783 3.890 9.751 1.00 12.23 C ATOM 431 CE LYS A 28 -12.843 4.180 10.817 1.00 53.34 C ATOM 432 NZ LYS A 28 -14.079 4.737 10.218 1.00 35.33 N ATOM 0 H LYS A 28 -8.337 6.148 7.833 1.00 24.54 H new ATOM 0 HA LYS A 28 -9.176 3.673 9.059 1.00 15.31 H new ATOM 0 HB2 LYS A 28 -10.340 5.711 7.158 1.00 65.21 H new ATOM 0 HB3 LYS A 28 -11.028 4.101 7.111 1.00 65.21 H new ATOM 0 HG2 LYS A 28 -10.847 5.839 9.609 1.00 50.31 H new ATOM 0 HG3 LYS A 28 -12.276 5.665 8.610 1.00 50.31 H new ATOM 0 HD2 LYS A 28 -12.163 3.135 9.062 1.00 12.23 H new ATOM 0 HD3 LYS A 28 -10.899 3.469 10.229 1.00 12.23 H new ATOM 0 HE2 LYS A 28 -13.080 3.262 11.355 1.00 53.34 H new ATOM 0 HE3 LYS A 28 -12.443 4.883 11.547 1.00 53.34 H new ATOM 0 HZ1 LYS A 28 -14.836 4.748 10.931 1.00 35.33 H new ATOM 0 HZ2 LYS A 28 -13.899 5.707 9.890 1.00 35.33 H new ATOM 0 HZ3 LYS A 28 -14.371 4.147 9.412 1.00 35.33 H new ATOM 446 N VAL A 29 -7.744 3.622 6.140 1.00 5.44 N ATOM 447 CA VAL A 29 -7.244 2.773 5.052 1.00 71.41 C ATOM 448 C VAL A 29 -6.584 1.507 5.631 1.00 61.21 C ATOM 449 O VAL A 29 -5.475 1.538 6.179 1.00 34.15 O ATOM 450 CB VAL A 29 -6.283 3.547 4.059 1.00 12.32 C ATOM 451 CG1 VAL A 29 -7.058 4.669 3.353 1.00 11.44 C ATOM 452 CG2 VAL A 29 -5.030 4.116 4.761 1.00 72.51 C ATOM 0 H VAL A 29 -7.323 4.551 6.167 1.00 5.44 H new ATOM 0 HA VAL A 29 -8.100 2.471 4.448 1.00 71.41 H new ATOM 0 HB VAL A 29 -5.928 2.825 3.324 1.00 12.32 H new ATOM 0 HG11 VAL A 29 -6.392 5.198 2.671 1.00 11.44 H new ATOM 0 HG12 VAL A 29 -7.887 4.240 2.790 1.00 11.44 H new ATOM 0 HG13 VAL A 29 -7.446 5.366 4.096 1.00 11.44 H new ATOM 0 HG21 VAL A 29 -4.409 4.636 4.032 1.00 72.51 H new ATOM 0 HG22 VAL A 29 -5.335 4.814 5.541 1.00 72.51 H new ATOM 0 HG23 VAL A 29 -4.461 3.300 5.207 1.00 72.51 H new ATOM 462 N GLU A 30 -7.342 0.406 5.597 1.00 35.01 N ATOM 463 CA GLU A 30 -6.884 -0.870 6.116 1.00 73.31 C ATOM 464 C GLU A 30 -6.018 -1.558 5.059 1.00 14.24 C ATOM 465 O GLU A 30 -6.518 -2.008 4.013 1.00 53.44 O ATOM 466 CB GLU A 30 -8.063 -1.776 6.521 1.00 51.22 C ATOM 467 CG GLU A 30 -7.607 -3.126 7.125 1.00 31.23 C ATOM 468 CD GLU A 30 -8.750 -4.112 7.380 1.00 25.24 C ATOM 469 OE1 GLU A 30 -9.116 -4.843 6.448 1.00 25.23 O ATOM 470 OE2 GLU A 30 -9.284 -4.167 8.509 1.00 20.03 O ATOM 0 H GLU A 30 -8.285 0.383 5.209 1.00 35.01 H new ATOM 0 HA GLU A 30 -6.295 -0.688 7.015 1.00 73.31 H new ATOM 0 HB2 GLU A 30 -8.685 -1.251 7.246 1.00 51.22 H new ATOM 0 HB3 GLU A 30 -8.685 -1.967 5.646 1.00 51.22 H new ATOM 0 HG2 GLU A 30 -6.885 -3.588 6.451 1.00 31.23 H new ATOM 0 HG3 GLU A 30 -7.089 -2.935 8.065 1.00 31.23 H new ATOM 477 N PHE A 31 -4.712 -1.579 5.326 1.00 62.35 N ATOM 478 CA PHE A 31 -3.752 -2.357 4.560 1.00 43.22 C ATOM 479 C PHE A 31 -3.997 -3.832 4.860 1.00 21.32 C ATOM 480 O PHE A 31 -3.621 -4.332 5.929 1.00 51.23 O ATOM 481 CB PHE A 31 -2.303 -1.942 4.923 1.00 13.21 C ATOM 482 CG PHE A 31 -1.998 -0.483 4.581 1.00 72.41 C ATOM 483 CD1 PHE A 31 -2.351 0.548 5.450 1.00 63.12 C ATOM 484 CD2 PHE A 31 -1.383 -0.146 3.378 1.00 5.33 C ATOM 485 CE1 PHE A 31 -2.104 1.864 5.125 1.00 13.45 C ATOM 486 CE2 PHE A 31 -1.140 1.173 3.054 1.00 24.14 C ATOM 487 CZ PHE A 31 -1.499 2.175 3.926 1.00 3.32 C ATOM 0 H PHE A 31 -4.292 -1.049 6.089 1.00 62.35 H new ATOM 0 HA PHE A 31 -3.879 -2.174 3.493 1.00 43.22 H new ATOM 0 HB2 PHE A 31 -2.141 -2.101 5.989 1.00 13.21 H new ATOM 0 HB3 PHE A 31 -1.602 -2.588 4.394 1.00 13.21 H new ATOM 0 HD1 PHE A 31 -2.825 0.312 6.391 1.00 63.12 H new ATOM 0 HD2 PHE A 31 -1.093 -0.926 2.690 1.00 5.33 H new ATOM 0 HE1 PHE A 31 -2.384 2.651 5.809 1.00 13.45 H new ATOM 0 HE2 PHE A 31 -0.667 1.419 2.115 1.00 24.14 H new ATOM 0 HZ PHE A 31 -1.307 3.207 3.671 1.00 3.32 H new ATOM 497 N VAL A 32 -4.705 -4.497 3.929 1.00 34.25 N ATOM 498 CA VAL A 32 -4.992 -5.942 4.005 1.00 25.45 C ATOM 499 C VAL A 32 -3.666 -6.743 4.089 1.00 64.52 C ATOM 500 O VAL A 32 -3.609 -7.864 4.612 1.00 32.11 O ATOM 501 CB VAL A 32 -5.859 -6.401 2.771 1.00 24.55 C ATOM 502 CG1 VAL A 32 -6.227 -7.907 2.836 1.00 53.21 C ATOM 503 CG2 VAL A 32 -7.120 -5.514 2.620 1.00 53.42 C ATOM 0 H VAL A 32 -5.095 -4.047 3.101 1.00 34.25 H new ATOM 0 HA VAL A 32 -5.570 -6.141 4.908 1.00 25.45 H new ATOM 0 HB VAL A 32 -5.245 -6.270 1.880 1.00 24.55 H new ATOM 0 HG11 VAL A 32 -6.824 -8.174 1.964 1.00 53.21 H new ATOM 0 HG12 VAL A 32 -5.315 -8.504 2.848 1.00 53.21 H new ATOM 0 HG13 VAL A 32 -6.801 -8.103 3.742 1.00 53.21 H new ATOM 0 HG21 VAL A 32 -7.701 -5.851 1.762 1.00 53.42 H new ATOM 0 HG22 VAL A 32 -7.728 -5.589 3.522 1.00 53.42 H new ATOM 0 HG23 VAL A 32 -6.820 -4.477 2.470 1.00 53.42 H new ATOM 513 N GLY A 33 -2.602 -6.122 3.556 1.00 14.44 N ATOM 514 CA GLY A 33 -1.234 -6.563 3.749 1.00 31.03 C ATOM 515 C GLY A 33 -0.542 -6.785 2.421 1.00 62.10 C ATOM 516 O GLY A 33 -0.630 -5.941 1.516 1.00 1.41 O ATOM 0 H GLY A 33 -2.681 -5.289 2.973 1.00 14.44 H new ATOM 0 HA2 GLY A 33 -0.687 -5.819 4.328 1.00 31.03 H new ATOM 0 HA3 GLY A 33 -1.224 -7.487 4.327 1.00 31.03 H new ATOM 520 N ALA A 34 0.141 -7.912 2.315 1.00 12.01 N ATOM 521 CA ALA A 34 0.834 -8.357 1.106 1.00 60.01 C ATOM 522 C ALA A 34 1.034 -9.863 1.227 1.00 53.14 C ATOM 523 O ALA A 34 1.040 -10.405 2.338 1.00 21.20 O ATOM 524 CB ALA A 34 2.176 -7.637 0.951 1.00 12.13 C ATOM 0 H ALA A 34 0.235 -8.568 3.091 1.00 12.01 H new ATOM 0 HA ALA A 34 0.245 -8.122 0.219 1.00 60.01 H new ATOM 0 HB1 ALA A 34 2.673 -7.984 0.045 1.00 12.13 H new ATOM 0 HB2 ALA A 34 2.007 -6.562 0.883 1.00 12.13 H new ATOM 0 HB3 ALA A 34 2.806 -7.851 1.815 1.00 12.13 H new ATOM 530 N TYR A 35 1.205 -10.540 0.095 1.00 44.22 N ATOM 531 CA TYR A 35 1.268 -12.010 0.044 1.00 64.32 C ATOM 532 C TYR A 35 2.468 -12.459 -0.794 1.00 2.11 C ATOM 533 O TYR A 35 2.905 -11.710 -1.651 1.00 43.05 O ATOM 534 CB TYR A 35 -0.058 -12.564 -0.532 1.00 41.52 C ATOM 535 CG TYR A 35 -1.254 -12.468 0.432 1.00 71.52 C ATOM 536 CD1 TYR A 35 -1.549 -13.510 1.319 1.00 23.21 C ATOM 537 CD2 TYR A 35 -2.085 -11.346 0.457 1.00 1.02 C ATOM 538 CE1 TYR A 35 -2.625 -13.434 2.184 1.00 74.43 C ATOM 539 CE2 TYR A 35 -3.157 -11.266 1.323 1.00 50.24 C ATOM 540 CZ TYR A 35 -3.427 -12.311 2.182 1.00 15.11 C ATOM 541 OH TYR A 35 -4.508 -12.236 3.041 1.00 71.22 O ATOM 0 H TYR A 35 1.304 -10.092 -0.816 1.00 44.22 H new ATOM 0 HA TYR A 35 1.399 -12.405 1.051 1.00 64.32 H new ATOM 0 HB2 TYR A 35 -0.298 -12.022 -1.446 1.00 41.52 H new ATOM 0 HB3 TYR A 35 0.088 -13.608 -0.810 1.00 41.52 H new ATOM 0 HD1 TYR A 35 -0.924 -14.391 1.328 1.00 23.21 H new ATOM 0 HD2 TYR A 35 -1.885 -10.524 -0.215 1.00 1.02 H new ATOM 0 HE1 TYR A 35 -2.837 -14.250 2.859 1.00 74.43 H new ATOM 0 HE2 TYR A 35 -3.784 -10.386 1.328 1.00 50.24 H new ATOM 0 HH TYR A 35 -4.968 -11.380 2.914 1.00 71.22 H new ATOM 551 N PRO A 36 3.020 -13.705 -0.565 1.00 74.35 N ATOM 552 CA PRO A 36 4.211 -14.218 -1.307 1.00 2.20 C ATOM 553 C PRO A 36 3.900 -14.702 -2.754 1.00 63.22 C ATOM 554 O PRO A 36 4.719 -15.391 -3.371 1.00 64.34 O ATOM 555 CB PRO A 36 4.687 -15.381 -0.403 1.00 71.32 C ATOM 556 CG PRO A 36 3.436 -15.906 0.227 1.00 13.25 C ATOM 557 CD PRO A 36 2.556 -14.696 0.462 1.00 43.11 C ATOM 0 HA PRO A 36 4.957 -13.440 -1.471 1.00 2.20 H new ATOM 0 HB2 PRO A 36 5.193 -16.153 -0.983 1.00 71.32 H new ATOM 0 HB3 PRO A 36 5.394 -15.034 0.350 1.00 71.32 H new ATOM 0 HG2 PRO A 36 2.943 -16.628 -0.424 1.00 13.25 H new ATOM 0 HG3 PRO A 36 3.655 -16.419 1.164 1.00 13.25 H new ATOM 0 HD2 PRO A 36 1.501 -14.939 0.334 1.00 43.11 H new ATOM 0 HD3 PRO A 36 2.674 -14.307 1.474 1.00 43.11 H new ATOM 565 N SER A 37 2.721 -14.325 -3.271 1.00 43.35 N ATOM 566 CA SER A 37 2.312 -14.554 -4.661 1.00 13.14 C ATOM 567 C SER A 37 1.232 -13.530 -5.018 1.00 43.40 C ATOM 568 O SER A 37 0.424 -13.139 -4.152 1.00 11.21 O ATOM 569 CB SER A 37 1.783 -15.987 -4.876 1.00 33.53 C ATOM 570 OG SER A 37 1.297 -16.167 -6.201 1.00 13.10 O ATOM 0 H SER A 37 2.011 -13.842 -2.720 1.00 43.35 H new ATOM 0 HA SER A 37 3.180 -14.437 -5.309 1.00 13.14 H new ATOM 0 HB2 SER A 37 2.580 -16.704 -4.678 1.00 33.53 H new ATOM 0 HB3 SER A 37 0.985 -16.193 -4.163 1.00 33.53 H new ATOM 0 HG SER A 37 0.970 -17.085 -6.308 1.00 13.10 H new ATOM 576 N TYR A 38 1.246 -13.084 -6.289 1.00 62.42 N ATOM 577 CA TYR A 38 0.246 -12.152 -6.823 1.00 24.23 C ATOM 578 C TYR A 38 -1.184 -12.715 -6.676 1.00 52.54 C ATOM 579 O TYR A 38 -2.080 -11.964 -6.329 1.00 12.23 O ATOM 580 CB TYR A 38 0.544 -11.790 -8.313 1.00 40.23 C ATOM 581 CG TYR A 38 -0.595 -11.006 -9.012 1.00 35.41 C ATOM 582 CD1 TYR A 38 -1.060 -9.797 -8.488 1.00 34.43 C ATOM 583 CD2 TYR A 38 -1.230 -11.497 -10.162 1.00 34.12 C ATOM 584 CE1 TYR A 38 -2.103 -9.120 -9.076 1.00 21.44 C ATOM 585 CE2 TYR A 38 -2.270 -10.806 -10.754 1.00 55.12 C ATOM 586 CZ TYR A 38 -2.700 -9.621 -10.202 1.00 41.01 C ATOM 587 OH TYR A 38 -3.727 -8.927 -10.778 1.00 71.11 O ATOM 0 H TYR A 38 1.952 -13.362 -6.970 1.00 62.42 H new ATOM 0 HA TYR A 38 0.310 -11.237 -6.234 1.00 24.23 H new ATOM 0 HB2 TYR A 38 1.458 -11.198 -8.356 1.00 40.23 H new ATOM 0 HB3 TYR A 38 0.733 -12.709 -8.868 1.00 40.23 H new ATOM 0 HD1 TYR A 38 -0.592 -9.387 -7.605 1.00 34.43 H new ATOM 0 HD2 TYR A 38 -0.901 -12.431 -10.592 1.00 34.12 H new ATOM 0 HE1 TYR A 38 -2.452 -8.191 -8.649 1.00 21.44 H new ATOM 0 HE2 TYR A 38 -2.742 -11.194 -11.644 1.00 55.12 H new ATOM 0 HH TYR A 38 -4.045 -9.410 -11.569 1.00 71.11 H new ATOM 597 N ASP A 39 -1.371 -14.029 -6.933 1.00 51.12 N ATOM 598 CA ASP A 39 -2.714 -14.675 -6.919 1.00 61.42 C ATOM 599 C ASP A 39 -3.313 -14.667 -5.507 1.00 53.43 C ATOM 600 O ASP A 39 -4.520 -14.476 -5.345 1.00 61.43 O ATOM 601 CB ASP A 39 -2.648 -16.128 -7.469 1.00 43.31 C ATOM 602 CG ASP A 39 -3.999 -16.883 -7.388 1.00 32.40 C ATOM 603 OD1 ASP A 39 -4.902 -16.611 -8.206 1.00 12.54 O ATOM 604 OD2 ASP A 39 -4.174 -17.727 -6.482 1.00 30.51 O ATOM 0 H ASP A 39 -0.609 -14.670 -7.154 1.00 51.12 H new ATOM 0 HA ASP A 39 -3.363 -14.093 -7.573 1.00 61.42 H new ATOM 0 HB2 ASP A 39 -2.318 -16.100 -8.508 1.00 43.31 H new ATOM 0 HB3 ASP A 39 -1.896 -16.685 -6.911 1.00 43.31 H new ATOM 609 N GLU A 40 -2.450 -14.856 -4.501 1.00 41.23 N ATOM 610 CA GLU A 40 -2.845 -14.839 -3.081 1.00 61.45 C ATOM 611 C GLU A 40 -3.393 -13.453 -2.689 1.00 20.33 C ATOM 612 O GLU A 40 -4.352 -13.350 -1.915 1.00 55.12 O ATOM 613 CB GLU A 40 -1.633 -15.217 -2.193 1.00 63.10 C ATOM 614 CG GLU A 40 -0.995 -16.583 -2.500 1.00 1.33 C ATOM 615 CD GLU A 40 -1.921 -17.776 -2.206 1.00 1.00 C ATOM 616 OE1 GLU A 40 -1.945 -18.247 -1.049 1.00 34.12 O ATOM 617 OE2 GLU A 40 -2.628 -18.248 -3.125 1.00 73.35 O ATOM 0 H GLU A 40 -1.455 -15.026 -4.646 1.00 41.23 H new ATOM 0 HA GLU A 40 -3.636 -15.572 -2.926 1.00 61.45 H new ATOM 0 HB2 GLU A 40 -0.870 -14.446 -2.300 1.00 63.10 H new ATOM 0 HB3 GLU A 40 -1.951 -15.209 -1.150 1.00 63.10 H new ATOM 0 HG2 GLU A 40 -0.703 -16.611 -3.550 1.00 1.33 H new ATOM 0 HG3 GLU A 40 -0.083 -16.689 -1.913 1.00 1.33 H new ATOM 624 N ALA A 41 -2.777 -12.395 -3.255 1.00 23.21 N ATOM 625 CA ALA A 41 -3.210 -11.006 -3.052 1.00 71.03 C ATOM 626 C ALA A 41 -4.457 -10.699 -3.912 1.00 2.51 C ATOM 627 O ALA A 41 -5.406 -10.045 -3.469 1.00 4.23 O ATOM 628 CB ALA A 41 -2.039 -10.083 -3.394 1.00 5.12 C ATOM 0 H ALA A 41 -1.965 -12.485 -3.866 1.00 23.21 H new ATOM 0 HA ALA A 41 -3.497 -10.844 -2.013 1.00 71.03 H new ATOM 0 HB1 ALA A 41 -2.340 -9.045 -3.250 1.00 5.12 H new ATOM 0 HB2 ALA A 41 -1.195 -10.310 -2.743 1.00 5.12 H new ATOM 0 HB3 ALA A 41 -1.747 -10.235 -4.433 1.00 5.12 H new ATOM 634 N HIS A 42 -4.455 -11.258 -5.122 1.00 44.25 N ATOM 635 CA HIS A 42 -5.507 -11.062 -6.133 1.00 70.04 C ATOM 636 C HIS A 42 -6.803 -11.743 -5.673 1.00 32.25 C ATOM 637 O HIS A 42 -7.883 -11.387 -6.112 1.00 53.33 O ATOM 638 CB HIS A 42 -5.015 -11.638 -7.492 1.00 3.12 C ATOM 639 CG HIS A 42 -5.847 -11.316 -8.710 1.00 63.01 C ATOM 640 ND1 HIS A 42 -5.580 -11.852 -9.945 1.00 14.42 N ATOM 641 CD2 HIS A 42 -6.913 -10.500 -8.891 1.00 2.44 C ATOM 642 CE1 HIS A 42 -6.433 -11.384 -10.822 1.00 51.15 C ATOM 643 NE2 HIS A 42 -7.253 -10.560 -10.218 1.00 45.50 N ATOM 0 H HIS A 42 -3.707 -11.875 -5.439 1.00 44.25 H new ATOM 0 HA HIS A 42 -5.716 -10.000 -6.260 1.00 70.04 H new ATOM 0 HB2 HIS A 42 -4.002 -11.276 -7.667 1.00 3.12 H new ATOM 0 HB3 HIS A 42 -4.954 -12.722 -7.399 1.00 3.12 H new ATOM 0 HD1 HIS A 42 -4.831 -12.514 -10.149 1.00 14.42 H new ATOM 0 HD2 HIS A 42 -7.404 -9.911 -8.131 1.00 2.44 H new ATOM 0 HE1 HIS A 42 -6.456 -11.636 -11.872 1.00 51.15 H new ATOM 652 N LYS A 43 -6.666 -12.730 -4.784 1.00 11.33 N ATOM 653 CA LYS A 43 -7.798 -13.467 -4.224 1.00 1.25 C ATOM 654 C LYS A 43 -8.282 -12.792 -2.935 1.00 43.12 C ATOM 655 O LYS A 43 -9.478 -12.814 -2.621 1.00 31.12 O ATOM 656 CB LYS A 43 -7.362 -14.931 -3.958 1.00 40.24 C ATOM 657 CG LYS A 43 -8.497 -15.965 -4.039 1.00 13.13 C ATOM 658 CD LYS A 43 -9.183 -16.000 -5.440 1.00 33.21 C ATOM 659 CE LYS A 43 -8.189 -16.213 -6.611 1.00 2.24 C ATOM 660 NZ LYS A 43 -7.355 -17.436 -6.447 1.00 50.14 N ATOM 0 H LYS A 43 -5.761 -13.041 -4.431 1.00 11.33 H new ATOM 0 HA LYS A 43 -8.628 -13.467 -4.930 1.00 1.25 H new ATOM 0 HB2 LYS A 43 -6.590 -15.202 -4.678 1.00 40.24 H new ATOM 0 HB3 LYS A 43 -6.908 -14.986 -2.968 1.00 40.24 H new ATOM 0 HG2 LYS A 43 -8.099 -16.953 -3.809 1.00 13.13 H new ATOM 0 HG3 LYS A 43 -9.244 -15.738 -3.279 1.00 13.13 H new ATOM 0 HD2 LYS A 43 -9.924 -16.799 -5.453 1.00 33.21 H new ATOM 0 HD3 LYS A 43 -9.721 -15.065 -5.596 1.00 33.21 H new ATOM 0 HE2 LYS A 43 -8.746 -16.281 -7.546 1.00 2.24 H new ATOM 0 HE3 LYS A 43 -7.537 -15.343 -6.691 1.00 2.24 H new ATOM 0 HZ1 LYS A 43 -6.642 -17.474 -7.203 1.00 50.14 H new ATOM 0 HZ2 LYS A 43 -6.879 -17.410 -5.523 1.00 50.14 H new ATOM 0 HZ3 LYS A 43 -7.961 -18.279 -6.500 1.00 50.14 H new ATOM 674 N ALA A 44 -7.319 -12.191 -2.202 1.00 65.32 N ATOM 675 CA ALA A 44 -7.579 -11.488 -0.933 1.00 72.43 C ATOM 676 C ALA A 44 -8.556 -10.313 -1.112 1.00 33.12 C ATOM 677 O ALA A 44 -9.330 -10.023 -0.204 1.00 72.23 O ATOM 678 CB ALA A 44 -6.266 -10.993 -0.318 1.00 21.23 C ATOM 0 H ALA A 44 -6.337 -12.182 -2.478 1.00 65.32 H new ATOM 0 HA ALA A 44 -8.047 -12.204 -0.257 1.00 72.43 H new ATOM 0 HB1 ALA A 44 -6.475 -10.476 0.619 1.00 21.23 H new ATOM 0 HB2 ALA A 44 -5.611 -11.843 -0.125 1.00 21.23 H new ATOM 0 HB3 ALA A 44 -5.776 -10.307 -1.009 1.00 21.23 H new ATOM 684 N TRP A 45 -8.485 -9.646 -2.283 1.00 13.42 N ATOM 685 CA TRP A 45 -9.389 -8.528 -2.657 1.00 74.50 C ATOM 686 C TRP A 45 -10.884 -8.934 -2.495 1.00 61.13 C ATOM 687 O TRP A 45 -11.668 -8.209 -1.875 1.00 71.02 O ATOM 688 CB TRP A 45 -9.045 -8.045 -4.124 1.00 32.34 C ATOM 689 CG TRP A 45 -10.235 -7.754 -5.033 1.00 35.44 C ATOM 690 CD1 TRP A 45 -10.962 -6.594 -5.133 1.00 61.42 C ATOM 691 CD2 TRP A 45 -10.838 -8.678 -5.955 1.00 31.04 C ATOM 692 NE1 TRP A 45 -11.989 -6.759 -6.036 1.00 3.30 N ATOM 693 CE2 TRP A 45 -11.925 -8.027 -6.557 1.00 25.53 C ATOM 694 CE3 TRP A 45 -10.551 -9.996 -6.327 1.00 15.55 C ATOM 695 CZ2 TRP A 45 -12.735 -8.659 -7.502 1.00 31.32 C ATOM 696 CZ3 TRP A 45 -11.349 -10.621 -7.259 1.00 22.21 C ATOM 697 CH2 TRP A 45 -12.423 -9.955 -7.840 1.00 45.34 C ATOM 0 H TRP A 45 -7.796 -9.866 -3.003 1.00 13.42 H new ATOM 0 HA TRP A 45 -9.230 -7.689 -1.980 1.00 74.50 H new ATOM 0 HB2 TRP A 45 -8.438 -7.142 -4.054 1.00 32.34 H new ATOM 0 HB3 TRP A 45 -8.428 -8.807 -4.600 1.00 32.34 H new ATOM 0 HD1 TRP A 45 -10.759 -5.686 -4.585 1.00 61.42 H new ATOM 0 HE1 TRP A 45 -12.684 -6.053 -6.278 1.00 3.30 H new ATOM 0 HE3 TRP A 45 -9.713 -10.517 -5.888 1.00 15.55 H new ATOM 0 HZ2 TRP A 45 -13.575 -8.149 -7.951 1.00 31.32 H new ATOM 0 HZ3 TRP A 45 -11.138 -11.642 -7.543 1.00 22.21 H new ATOM 0 HH2 TRP A 45 -13.026 -10.468 -8.574 1.00 45.34 H new ATOM 708 N LYS A 46 -11.244 -10.101 -3.057 1.00 31.41 N ATOM 709 CA LYS A 46 -12.633 -10.628 -3.048 1.00 50.51 C ATOM 710 C LYS A 46 -12.958 -11.316 -1.713 1.00 10.12 C ATOM 711 O LYS A 46 -14.117 -11.300 -1.259 1.00 24.52 O ATOM 712 CB LYS A 46 -12.798 -11.587 -4.254 1.00 54.12 C ATOM 713 CG LYS A 46 -14.123 -12.363 -4.366 1.00 71.02 C ATOM 714 CD LYS A 46 -14.122 -13.316 -5.582 1.00 2.34 C ATOM 715 CE LYS A 46 -15.450 -14.055 -5.774 1.00 44.20 C ATOM 716 NZ LYS A 46 -15.398 -14.941 -6.960 1.00 61.41 N ATOM 0 H LYS A 46 -10.582 -10.713 -3.534 1.00 31.41 H new ATOM 0 HA LYS A 46 -13.344 -9.808 -3.145 1.00 50.51 H new ATOM 0 HB2 LYS A 46 -12.670 -11.005 -5.167 1.00 54.12 H new ATOM 0 HB3 LYS A 46 -11.985 -12.312 -4.222 1.00 54.12 H new ATOM 0 HG2 LYS A 46 -14.288 -12.936 -3.454 1.00 71.02 H new ATOM 0 HG3 LYS A 46 -14.951 -11.660 -4.455 1.00 71.02 H new ATOM 0 HD2 LYS A 46 -13.899 -12.744 -6.483 1.00 2.34 H new ATOM 0 HD3 LYS A 46 -13.322 -14.046 -5.462 1.00 2.34 H new ATOM 0 HE2 LYS A 46 -15.674 -14.644 -4.885 1.00 44.20 H new ATOM 0 HE3 LYS A 46 -16.258 -13.333 -5.890 1.00 44.20 H new ATOM 0 HZ1 LYS A 46 -16.309 -15.430 -7.068 1.00 61.41 H new ATOM 0 HZ2 LYS A 46 -15.207 -14.373 -7.810 1.00 61.41 H new ATOM 0 HZ3 LYS A 46 -14.641 -15.643 -6.836 1.00 61.41 H new ATOM 730 N ALA A 47 -11.922 -11.893 -1.085 1.00 15.04 N ATOM 731 CA ALA A 47 -12.014 -12.479 0.267 1.00 20.12 C ATOM 732 C ALA A 47 -12.339 -11.393 1.313 1.00 13.04 C ATOM 733 O ALA A 47 -12.893 -11.690 2.369 1.00 51.42 O ATOM 734 CB ALA A 47 -10.714 -13.216 0.629 1.00 12.23 C ATOM 0 H ALA A 47 -10.993 -11.968 -1.499 1.00 15.04 H new ATOM 0 HA ALA A 47 -12.827 -13.204 0.270 1.00 20.12 H new ATOM 0 HB1 ALA A 47 -10.803 -13.640 1.629 1.00 12.23 H new ATOM 0 HB2 ALA A 47 -10.537 -14.016 -0.090 1.00 12.23 H new ATOM 0 HB3 ALA A 47 -9.880 -12.515 0.605 1.00 12.23 H new ATOM 740 N LYS A 48 -11.964 -10.140 1.000 1.00 75.23 N ATOM 741 CA LYS A 48 -12.275 -8.960 1.810 1.00 23.30 C ATOM 742 C LYS A 48 -13.623 -8.360 1.414 1.00 13.40 C ATOM 743 O LYS A 48 -14.440 -8.073 2.278 1.00 54.01 O ATOM 744 CB LYS A 48 -11.148 -7.912 1.645 1.00 63.21 C ATOM 745 CG LYS A 48 -9.835 -8.292 2.350 1.00 20.30 C ATOM 746 CD LYS A 48 -9.998 -8.411 3.876 1.00 55.31 C ATOM 747 CE LYS A 48 -10.483 -7.100 4.497 1.00 60.12 C ATOM 748 NZ LYS A 48 -10.612 -7.194 5.973 1.00 13.14 N ATOM 0 H LYS A 48 -11.427 -9.921 0.161 1.00 75.23 H new ATOM 0 HA LYS A 48 -12.341 -9.261 2.856 1.00 23.30 H new ATOM 0 HB2 LYS A 48 -10.950 -7.770 0.583 1.00 63.21 H new ATOM 0 HB3 LYS A 48 -11.495 -6.955 2.036 1.00 63.21 H new ATOM 0 HG2 LYS A 48 -9.474 -9.240 1.951 1.00 20.30 H new ATOM 0 HG3 LYS A 48 -9.076 -7.542 2.126 1.00 20.30 H new ATOM 0 HD2 LYS A 48 -10.707 -9.207 4.105 1.00 55.31 H new ATOM 0 HD3 LYS A 48 -9.045 -8.695 4.323 1.00 55.31 H new ATOM 0 HE2 LYS A 48 -9.786 -6.301 4.245 1.00 60.12 H new ATOM 0 HE3 LYS A 48 -11.447 -6.830 4.066 1.00 60.12 H new ATOM 0 HZ1 LYS A 48 -11.619 -7.193 6.234 1.00 13.14 H new ATOM 0 HZ2 LYS A 48 -10.169 -8.075 6.305 1.00 13.14 H new ATOM 0 HZ3 LYS A 48 -10.138 -6.381 6.415 1.00 13.14 H new ATOM 762 N ALA A 49 -13.839 -8.194 0.102 1.00 12.31 N ATOM 763 CA ALA A 49 -15.027 -7.504 -0.447 1.00 62.11 C ATOM 764 C ALA A 49 -16.348 -8.186 -0.026 1.00 4.41 C ATOM 765 O ALA A 49 -17.342 -7.510 0.275 1.00 74.42 O ATOM 766 CB ALA A 49 -14.913 -7.421 -1.975 1.00 54.11 C ATOM 0 H ALA A 49 -13.197 -8.533 -0.614 1.00 12.31 H new ATOM 0 HA ALA A 49 -15.053 -6.497 -0.031 1.00 62.11 H new ATOM 0 HB1 ALA A 49 -15.789 -6.913 -2.378 1.00 54.11 H new ATOM 0 HB2 ALA A 49 -14.015 -6.865 -2.243 1.00 54.11 H new ATOM 0 HB3 ALA A 49 -14.854 -8.427 -2.391 1.00 54.11 H new ATOM 772 N GLN A 50 -16.331 -9.528 0.002 1.00 72.10 N ATOM 773 CA GLN A 50 -17.487 -10.348 0.417 1.00 60.42 C ATOM 774 C GLN A 50 -17.580 -10.439 1.955 1.00 2.12 C ATOM 775 O GLN A 50 -18.675 -10.586 2.503 1.00 63.33 O ATOM 776 CB GLN A 50 -17.371 -11.764 -0.207 1.00 24.21 C ATOM 777 CG GLN A 50 -17.481 -11.800 -1.752 1.00 73.13 C ATOM 778 CD GLN A 50 -17.136 -13.165 -2.361 1.00 71.24 C ATOM 779 OE1 GLN A 50 -16.125 -13.847 -1.812 1.00 53.04 O flip ATOM 780 NE2 GLN A 50 -17.728 -13.577 -3.361 1.00 25.12 N flip ATOM 0 H GLN A 50 -15.515 -10.079 -0.263 1.00 72.10 H new ATOM 0 HA GLN A 50 -18.399 -9.872 0.058 1.00 60.42 H new ATOM 0 HB2 GLN A 50 -16.415 -12.198 0.086 1.00 24.21 H new ATOM 0 HB3 GLN A 50 -18.152 -12.397 0.214 1.00 24.21 H new ATOM 0 HG2 GLN A 50 -18.496 -11.528 -2.042 1.00 73.13 H new ATOM 0 HG3 GLN A 50 -16.816 -11.045 -2.173 1.00 73.13 H new ATOM 0 HE21 GLN A 50 -18.496 -13.036 -3.758 1.00 25.12 H new ATOM 0 HE22 GLN A 50 -17.450 -14.459 -3.791 1.00 25.12 H new ATOM 789 N ALA A 51 -16.426 -10.348 2.640 1.00 42.44 N ATOM 790 CA ALA A 51 -16.352 -10.471 4.114 1.00 32.23 C ATOM 791 C ALA A 51 -16.891 -9.214 4.816 1.00 23.31 C ATOM 792 O ALA A 51 -17.667 -9.307 5.777 1.00 10.12 O ATOM 793 CB ALA A 51 -14.905 -10.740 4.560 1.00 21.21 C ATOM 0 H ALA A 51 -15.522 -10.188 2.195 1.00 42.44 H new ATOM 0 HA ALA A 51 -16.980 -11.314 4.403 1.00 32.23 H new ATOM 0 HB1 ALA A 51 -14.869 -10.828 5.646 1.00 21.21 H new ATOM 0 HB2 ALA A 51 -14.552 -11.668 4.109 1.00 21.21 H new ATOM 0 HB3 ALA A 51 -14.267 -9.916 4.241 1.00 21.21 H new ATOM 799 N THR A 52 -16.488 -8.048 4.304 1.00 1.12 N ATOM 800 CA THR A 52 -16.697 -6.759 4.965 1.00 41.21 C ATOM 801 C THR A 52 -17.999 -6.081 4.484 1.00 25.21 C ATOM 802 O THR A 52 -18.025 -5.392 3.455 1.00 2.22 O ATOM 803 CB THR A 52 -15.455 -5.832 4.747 1.00 42.33 C ATOM 804 OG1 THR A 52 -15.202 -5.641 3.342 1.00 61.20 O ATOM 805 CG2 THR A 52 -14.194 -6.434 5.400 1.00 72.54 C ATOM 0 H THR A 52 -16.003 -7.973 3.410 1.00 1.12 H new ATOM 0 HA THR A 52 -16.808 -6.937 6.035 1.00 41.21 H new ATOM 0 HB THR A 52 -15.680 -4.873 5.213 1.00 42.33 H new ATOM 0 HG1 THR A 52 -14.822 -6.461 2.964 1.00 61.20 H new ATOM 0 HG21 THR A 52 -13.346 -5.770 5.234 1.00 72.54 H new ATOM 0 HG22 THR A 52 -14.359 -6.550 6.471 1.00 72.54 H new ATOM 0 HG23 THR A 52 -13.985 -7.408 4.957 1.00 72.54 H new ATOM 813 N VAL A 53 -19.094 -6.335 5.218 1.00 30.35 N ATOM 814 CA VAL A 53 -20.409 -5.704 4.975 1.00 54.13 C ATOM 815 C VAL A 53 -20.697 -4.667 6.085 1.00 24.21 C ATOM 816 O VAL A 53 -21.207 -3.578 5.797 1.00 51.22 O ATOM 817 CB VAL A 53 -21.568 -6.777 4.893 1.00 31.44 C ATOM 818 CG1 VAL A 53 -22.922 -6.119 4.516 1.00 72.53 C ATOM 819 CG2 VAL A 53 -21.207 -7.921 3.902 1.00 4.13 C ATOM 0 H VAL A 53 -19.096 -6.987 6.002 1.00 30.35 H new ATOM 0 HA VAL A 53 -20.374 -5.199 4.010 1.00 54.13 H new ATOM 0 HB VAL A 53 -21.679 -7.217 5.884 1.00 31.44 H new ATOM 0 HG11 VAL A 53 -23.697 -6.884 4.468 1.00 72.53 H new ATOM 0 HG12 VAL A 53 -23.189 -5.378 5.270 1.00 72.53 H new ATOM 0 HG13 VAL A 53 -22.832 -5.632 3.545 1.00 72.53 H new ATOM 0 HG21 VAL A 53 -22.023 -8.643 3.867 1.00 4.13 H new ATOM 0 HG22 VAL A 53 -21.048 -7.504 2.907 1.00 4.13 H new ATOM 0 HG23 VAL A 53 -20.296 -8.418 4.236 1.00 4.13 H new ATOM 829 N ASP A 54 -20.330 -5.013 7.344 1.00 42.33 N ATOM 830 CA ASP A 54 -20.511 -4.140 8.538 1.00 63.33 C ATOM 831 C ASP A 54 -19.793 -2.788 8.368 1.00 65.32 C ATOM 832 O ASP A 54 -20.309 -1.737 8.773 1.00 22.23 O ATOM 833 CB ASP A 54 -19.983 -4.842 9.822 1.00 44.11 C ATOM 834 CG ASP A 54 -20.847 -6.033 10.278 1.00 14.01 C ATOM 835 OD1 ASP A 54 -22.022 -5.818 10.640 1.00 32.15 O ATOM 836 OD2 ASP A 54 -20.352 -7.185 10.310 1.00 35.15 O ATOM 0 H ASP A 54 -19.897 -5.910 7.564 1.00 42.33 H new ATOM 0 HA ASP A 54 -21.581 -3.956 8.638 1.00 63.33 H new ATOM 0 HB2 ASP A 54 -18.966 -5.190 9.642 1.00 44.11 H new ATOM 0 HB3 ASP A 54 -19.932 -4.112 10.630 1.00 44.11 H new ATOM 841 N ASN A 55 -18.600 -2.832 7.740 1.00 63.24 N ATOM 842 CA ASN A 55 -17.730 -1.657 7.534 1.00 1.31 C ATOM 843 C ASN A 55 -18.215 -0.744 6.375 1.00 3.03 C ATOM 844 O ASN A 55 -17.586 0.275 6.086 1.00 23.41 O ATOM 845 CB ASN A 55 -16.257 -2.147 7.322 1.00 10.32 C ATOM 846 CG ASN A 55 -15.248 -1.517 8.285 1.00 31.30 C ATOM 847 OD1 ASN A 55 -14.696 -0.385 7.917 1.00 2.22 O flip ATOM 848 ND2 ASN A 55 -14.973 -2.051 9.366 1.00 10.42 N flip ATOM 0 H ASN A 55 -18.210 -3.694 7.358 1.00 63.24 H new ATOM 0 HA ASN A 55 -17.776 -1.031 8.425 1.00 1.31 H new ATOM 0 HB2 ASN A 55 -16.225 -3.231 7.436 1.00 10.32 H new ATOM 0 HB3 ASN A 55 -15.955 -1.925 6.299 1.00 10.32 H new ATOM 0 HD21 ASN A 55 -15.417 -2.931 9.627 1.00 10.42 H new ATOM 0 HD22 ASN A 55 -14.302 -1.611 9.996 1.00 10.42 H new ATOM 855 N ALA A 56 -19.331 -1.163 5.763 1.00 24.31 N ATOM 856 CA ALA A 56 -20.119 -0.442 4.726 1.00 12.23 C ATOM 857 C ALA A 56 -19.272 0.119 3.559 1.00 63.14 C ATOM 858 O ALA A 56 -19.130 -0.528 2.525 1.00 44.43 O ATOM 859 CB ALA A 56 -20.995 0.651 5.383 1.00 5.51 C ATOM 0 H ALA A 56 -19.742 -2.070 5.985 1.00 24.31 H new ATOM 0 HA ALA A 56 -20.767 -1.184 4.260 1.00 12.23 H new ATOM 0 HB1 ALA A 56 -21.566 1.171 4.614 1.00 5.51 H new ATOM 0 HB2 ALA A 56 -21.680 0.189 6.094 1.00 5.51 H new ATOM 0 HB3 ALA A 56 -20.357 1.364 5.905 1.00 5.51 H new ATOM 865 N HIS A 57 -18.680 1.311 3.768 1.00 33.22 N ATOM 866 CA HIS A 57 -17.947 2.074 2.724 1.00 75.21 C ATOM 867 C HIS A 57 -16.583 1.455 2.397 1.00 51.12 C ATOM 868 O HIS A 57 -15.883 1.924 1.497 1.00 3.35 O ATOM 869 CB HIS A 57 -17.768 3.542 3.189 1.00 55.33 C ATOM 870 CG HIS A 57 -19.037 4.356 3.263 1.00 21.21 C ATOM 871 ND1 HIS A 57 -19.156 5.606 2.698 1.00 3.34 N ATOM 872 CD2 HIS A 57 -20.233 4.104 3.854 1.00 51.24 C ATOM 873 CE1 HIS A 57 -20.360 6.081 2.939 1.00 33.15 C ATOM 874 NE2 HIS A 57 -21.032 5.190 3.636 1.00 1.42 N ATOM 0 H HIS A 57 -18.694 1.781 4.673 1.00 33.22 H new ATOM 0 HA HIS A 57 -18.540 2.039 1.810 1.00 75.21 H new ATOM 0 HB2 HIS A 57 -17.300 3.539 4.173 1.00 55.33 H new ATOM 0 HB3 HIS A 57 -17.076 4.039 2.509 1.00 55.33 H new ATOM 0 HD1 HIS A 57 -18.426 6.089 2.175 1.00 3.34 H new ATOM 0 HD2 HIS A 57 -20.503 3.210 4.396 1.00 51.24 H new ATOM 0 HE1 HIS A 57 -20.734 7.042 2.618 1.00 33.15 H new ATOM 883 N ALA A 58 -16.227 0.416 3.147 1.00 42.23 N ATOM 884 CA ALA A 58 -14.960 -0.298 3.018 1.00 0.43 C ATOM 885 C ALA A 58 -14.868 -1.027 1.669 1.00 62.21 C ATOM 886 O ALA A 58 -15.470 -2.087 1.466 1.00 62.12 O ATOM 887 CB ALA A 58 -14.769 -1.256 4.191 1.00 72.35 C ATOM 0 H ALA A 58 -16.827 0.038 3.880 1.00 42.23 H new ATOM 0 HA ALA A 58 -14.149 0.430 3.043 1.00 0.43 H new ATOM 0 HB1 ALA A 58 -13.820 -1.781 4.081 1.00 72.35 H new ATOM 0 HB2 ALA A 58 -14.766 -0.693 5.124 1.00 72.35 H new ATOM 0 HB3 ALA A 58 -15.584 -1.979 4.207 1.00 72.35 H new ATOM 893 N ARG A 59 -14.145 -0.393 0.741 1.00 52.20 N ATOM 894 CA ARG A 59 -13.885 -0.906 -0.610 1.00 23.43 C ATOM 895 C ARG A 59 -12.417 -1.343 -0.680 1.00 22.10 C ATOM 896 O ARG A 59 -11.511 -0.503 -0.756 1.00 55.43 O ATOM 897 CB ARG A 59 -14.202 0.189 -1.686 1.00 14.33 C ATOM 898 CG ARG A 59 -15.615 0.114 -2.323 1.00 41.22 C ATOM 899 CD ARG A 59 -16.762 0.297 -1.315 1.00 2.54 C ATOM 900 NE ARG A 59 -18.074 0.020 -1.924 1.00 65.35 N ATOM 901 CZ ARG A 59 -19.085 -0.639 -1.332 1.00 30.34 C ATOM 902 NH1 ARG A 59 -18.957 -1.105 -0.097 1.00 42.54 N ATOM 903 NH2 ARG A 59 -20.205 -0.853 -1.996 1.00 54.31 N ATOM 0 H ARG A 59 -13.713 0.515 0.912 1.00 52.20 H new ATOM 0 HA ARG A 59 -14.531 -1.758 -0.820 1.00 23.43 H new ATOM 0 HB2 ARG A 59 -14.082 1.170 -1.226 1.00 14.33 H new ATOM 0 HB3 ARG A 59 -13.460 0.117 -2.481 1.00 14.33 H new ATOM 0 HG2 ARG A 59 -15.696 0.880 -3.094 1.00 41.22 H new ATOM 0 HG3 ARG A 59 -15.729 -0.850 -2.818 1.00 41.22 H new ATOM 0 HD2 ARG A 59 -16.608 -0.367 -0.465 1.00 2.54 H new ATOM 0 HD3 ARG A 59 -16.748 1.316 -0.929 1.00 2.54 H new ATOM 0 HE ARG A 59 -18.228 0.356 -2.874 1.00 65.35 H new ATOM 0 HH11 ARG A 59 -18.085 -0.965 0.413 1.00 42.54 H new ATOM 0 HH12 ARG A 59 -19.731 -1.604 0.343 1.00 42.54 H new ATOM 0 HH21 ARG A 59 -20.301 -0.519 -2.955 1.00 54.31 H new ATOM 0 HH22 ARG A 59 -20.975 -1.353 -1.550 1.00 54.31 H new ATOM 917 N TYR A 60 -12.195 -2.660 -0.596 1.00 35.23 N ATOM 918 CA TYR A 60 -10.849 -3.251 -0.634 1.00 11.25 C ATOM 919 C TYR A 60 -10.493 -3.643 -2.058 1.00 21.50 C ATOM 920 O TYR A 60 -11.253 -4.356 -2.725 1.00 45.51 O ATOM 921 CB TYR A 60 -10.762 -4.468 0.307 1.00 13.55 C ATOM 922 CG TYR A 60 -11.045 -4.097 1.766 1.00 41.33 C ATOM 923 CD1 TYR A 60 -10.045 -3.565 2.581 1.00 25.22 C ATOM 924 CD2 TYR A 60 -12.316 -4.235 2.310 1.00 70.13 C ATOM 925 CE1 TYR A 60 -10.305 -3.193 3.880 1.00 34.51 C ATOM 926 CE2 TYR A 60 -12.572 -3.857 3.606 1.00 32.01 C ATOM 927 CZ TYR A 60 -11.567 -3.341 4.390 1.00 42.51 C ATOM 928 OH TYR A 60 -11.838 -2.972 5.689 1.00 32.54 O ATOM 0 H TYR A 60 -12.942 -3.347 -0.500 1.00 35.23 H new ATOM 0 HA TYR A 60 -10.131 -2.508 -0.288 1.00 11.25 H new ATOM 0 HB2 TYR A 60 -11.474 -5.227 -0.017 1.00 13.55 H new ATOM 0 HB3 TYR A 60 -9.769 -4.911 0.233 1.00 13.55 H new ATOM 0 HD1 TYR A 60 -9.048 -3.443 2.185 1.00 25.22 H new ATOM 0 HD2 TYR A 60 -13.113 -4.644 1.707 1.00 70.13 H new ATOM 0 HE1 TYR A 60 -9.516 -2.786 4.495 1.00 34.51 H new ATOM 0 HE2 TYR A 60 -13.567 -3.966 4.011 1.00 32.01 H new ATOM 0 HH TYR A 60 -12.782 -3.143 5.888 1.00 32.54 H new ATOM 938 N PHE A 61 -9.341 -3.143 -2.510 1.00 34.31 N ATOM 939 CA PHE A 61 -8.802 -3.382 -3.849 1.00 35.02 C ATOM 940 C PHE A 61 -7.352 -3.874 -3.729 1.00 53.44 C ATOM 941 O PHE A 61 -6.918 -4.343 -2.662 1.00 65.32 O ATOM 942 CB PHE A 61 -8.885 -2.075 -4.684 1.00 44.01 C ATOM 943 CG PHE A 61 -10.303 -1.613 -5.012 1.00 34.33 C ATOM 944 CD1 PHE A 61 -11.056 -2.280 -5.975 1.00 53.33 C ATOM 945 CD2 PHE A 61 -10.889 -0.536 -4.348 1.00 73.11 C ATOM 946 CE1 PHE A 61 -12.341 -1.874 -6.277 1.00 22.44 C ATOM 947 CE2 PHE A 61 -12.172 -0.129 -4.654 1.00 51.12 C ATOM 948 CZ PHE A 61 -12.903 -0.805 -5.609 1.00 42.42 C ATOM 0 H PHE A 61 -8.742 -2.546 -1.940 1.00 34.31 H new ATOM 0 HA PHE A 61 -9.386 -4.148 -4.359 1.00 35.02 H new ATOM 0 HB2 PHE A 61 -8.376 -1.280 -4.139 1.00 44.01 H new ATOM 0 HB3 PHE A 61 -8.341 -2.222 -5.617 1.00 44.01 H new ATOM 0 HD1 PHE A 61 -10.629 -3.126 -6.493 1.00 53.33 H new ATOM 0 HD2 PHE A 61 -10.332 -0.014 -3.584 1.00 73.11 H new ATOM 0 HE1 PHE A 61 -12.907 -2.393 -7.036 1.00 22.44 H new ATOM 0 HE2 PHE A 61 -12.604 0.720 -4.145 1.00 51.12 H new ATOM 0 HZ PHE A 61 -13.914 -0.498 -5.834 1.00 42.42 H new ATOM 958 N ILE A 62 -6.612 -3.778 -4.839 1.00 34.52 N ATOM 959 CA ILE A 62 -5.210 -4.196 -4.926 1.00 11.35 C ATOM 960 C ILE A 62 -4.407 -2.997 -5.445 1.00 40.40 C ATOM 961 O ILE A 62 -4.956 -2.161 -6.161 1.00 11.02 O ATOM 962 CB ILE A 62 -5.047 -5.421 -5.922 1.00 51.45 C ATOM 963 CG1 ILE A 62 -6.218 -6.444 -5.767 1.00 15.31 C ATOM 964 CG2 ILE A 62 -3.695 -6.130 -5.695 1.00 3.20 C ATOM 965 CD1 ILE A 62 -6.274 -7.511 -6.839 1.00 2.42 C ATOM 0 H ILE A 62 -6.976 -3.402 -5.714 1.00 34.52 H new ATOM 0 HA ILE A 62 -4.853 -4.515 -3.947 1.00 11.35 H new ATOM 0 HB ILE A 62 -5.075 -5.024 -6.937 1.00 51.45 H new ATOM 0 HG12 ILE A 62 -6.131 -6.929 -4.795 1.00 15.31 H new ATOM 0 HG13 ILE A 62 -7.161 -5.898 -5.768 1.00 15.31 H new ATOM 0 HG21 ILE A 62 -3.602 -6.967 -6.387 1.00 3.20 H new ATOM 0 HG22 ILE A 62 -2.881 -5.425 -5.866 1.00 3.20 H new ATOM 0 HG23 ILE A 62 -3.645 -6.499 -4.671 1.00 3.20 H new ATOM 0 HD11 ILE A 62 -7.118 -8.174 -6.649 1.00 2.42 H new ATOM 0 HD12 ILE A 62 -6.395 -7.040 -7.815 1.00 2.42 H new ATOM 0 HD13 ILE A 62 -5.349 -8.088 -6.827 1.00 2.42 H new ATOM 977 N ILE A 63 -3.132 -2.885 -5.065 1.00 41.52 N ATOM 978 CA ILE A 63 -2.202 -1.895 -5.634 1.00 54.34 C ATOM 979 C ILE A 63 -0.869 -2.586 -5.947 1.00 71.34 C ATOM 980 O ILE A 63 -0.398 -3.423 -5.179 1.00 2.13 O ATOM 981 CB ILE A 63 -1.980 -0.650 -4.679 1.00 41.25 C ATOM 982 CG1 ILE A 63 -3.230 0.287 -4.678 1.00 41.14 C ATOM 983 CG2 ILE A 63 -0.716 0.148 -5.062 1.00 5.10 C ATOM 984 CD1 ILE A 63 -3.086 1.546 -3.835 1.00 53.43 C ATOM 0 H ILE A 63 -2.710 -3.479 -4.351 1.00 41.52 H new ATOM 0 HA ILE A 63 -2.643 -1.502 -6.550 1.00 54.34 H new ATOM 0 HB ILE A 63 -1.837 -1.042 -3.672 1.00 41.25 H new ATOM 0 HG12 ILE A 63 -3.449 0.578 -5.705 1.00 41.14 H new ATOM 0 HG13 ILE A 63 -4.089 -0.278 -4.317 1.00 41.14 H new ATOM 0 HG21 ILE A 63 -0.600 0.993 -4.383 1.00 5.10 H new ATOM 0 HG22 ILE A 63 0.158 -0.499 -4.989 1.00 5.10 H new ATOM 0 HG23 ILE A 63 -0.813 0.514 -6.084 1.00 5.10 H new ATOM 0 HD11 ILE A 63 -4.003 2.132 -3.897 1.00 53.43 H new ATOM 0 HD12 ILE A 63 -2.901 1.270 -2.797 1.00 53.43 H new ATOM 0 HD13 ILE A 63 -2.251 2.139 -4.207 1.00 53.43 H new ATOM 996 N HIS A 64 -0.282 -2.226 -7.098 1.00 32.12 N ATOM 997 CA HIS A 64 1.030 -2.716 -7.514 1.00 71.51 C ATOM 998 C HIS A 64 2.134 -2.165 -6.594 1.00 2.34 C ATOM 999 O HIS A 64 2.250 -0.944 -6.397 1.00 23.54 O ATOM 1000 CB HIS A 64 1.307 -2.347 -8.996 1.00 13.12 C ATOM 1001 CG HIS A 64 1.226 -0.872 -9.312 1.00 63.10 C ATOM 1002 ND1 HIS A 64 2.283 -0.008 -9.145 1.00 21.44 N ATOM 1003 CD2 HIS A 64 0.201 -0.112 -9.779 1.00 52.03 C ATOM 1004 CE1 HIS A 64 1.921 1.202 -9.494 1.00 5.12 C ATOM 1005 NE2 HIS A 64 0.660 1.173 -9.881 1.00 43.14 N ATOM 0 H HIS A 64 -0.710 -1.584 -7.765 1.00 32.12 H new ATOM 0 HA HIS A 64 1.033 -3.803 -7.430 1.00 71.51 H new ATOM 0 HB2 HIS A 64 2.300 -2.707 -9.265 1.00 13.12 H new ATOM 0 HB3 HIS A 64 0.594 -2.878 -9.626 1.00 13.12 H new ATOM 0 HD1 HIS A 64 3.207 -0.269 -8.802 1.00 21.44 H new ATOM 0 HD2 HIS A 64 -0.792 -0.458 -10.024 1.00 52.03 H new ATOM 0 HE1 HIS A 64 2.551 2.079 -9.469 1.00 5.12 H new ATOM 1014 N ALA A 65 2.926 -3.079 -6.020 1.00 43.22 N ATOM 1015 CA ALA A 65 4.162 -2.726 -5.291 1.00 3.34 C ATOM 1016 C ALA A 65 5.349 -2.676 -6.254 1.00 72.35 C ATOM 1017 O ALA A 65 6.497 -2.551 -5.835 1.00 60.25 O ATOM 1018 CB ALA A 65 4.440 -3.743 -4.194 1.00 1.43 C ATOM 0 H ALA A 65 2.734 -4.081 -6.044 1.00 43.22 H new ATOM 0 HA ALA A 65 4.024 -1.744 -4.839 1.00 3.34 H new ATOM 0 HB1 ALA A 65 5.354 -3.469 -3.667 1.00 1.43 H new ATOM 0 HB2 ALA A 65 3.606 -3.758 -3.492 1.00 1.43 H new ATOM 0 HB3 ALA A 65 4.560 -4.732 -4.636 1.00 1.43 H new ATOM 1024 N HIS A 66 5.054 -2.818 -7.553 1.00 31.24 N ATOM 1025 CA HIS A 66 6.043 -2.749 -8.608 1.00 32.12 C ATOM 1026 C HIS A 66 6.120 -1.301 -9.081 1.00 40.15 C ATOM 1027 O HIS A 66 5.086 -0.672 -9.340 1.00 15.32 O ATOM 1028 CB HIS A 66 5.661 -3.697 -9.764 1.00 22.55 C ATOM 1029 CG HIS A 66 6.824 -4.133 -10.612 1.00 52.15 C ATOM 1030 ND1 HIS A 66 7.379 -5.390 -10.511 1.00 23.32 N ATOM 1031 CD2 HIS A 66 7.551 -3.479 -11.551 1.00 22.13 C ATOM 1032 CE1 HIS A 66 8.390 -5.488 -11.344 1.00 21.14 C ATOM 1033 NE2 HIS A 66 8.517 -4.347 -11.985 1.00 74.40 N ATOM 0 H HIS A 66 4.107 -2.986 -7.893 1.00 31.24 H new ATOM 0 HA HIS A 66 7.019 -3.068 -8.242 1.00 32.12 H new ATOM 0 HB2 HIS A 66 5.176 -4.581 -9.349 1.00 22.55 H new ATOM 0 HB3 HIS A 66 4.928 -3.200 -10.400 1.00 22.55 H new ATOM 0 HD1 HIS A 66 7.055 -6.129 -9.887 1.00 23.32 H new ATOM 0 HD2 HIS A 66 7.397 -2.466 -11.892 1.00 22.13 H new ATOM 0 HE1 HIS A 66 9.013 -6.360 -11.480 1.00 21.14 H new ATOM 1042 N LYS A 67 7.344 -0.811 -9.142 1.00 63.12 N ATOM 1043 CA LYS A 67 7.691 0.568 -9.545 1.00 51.40 C ATOM 1044 C LYS A 67 7.187 1.567 -8.477 1.00 61.05 C ATOM 1045 O LYS A 67 6.038 2.036 -8.507 1.00 44.32 O ATOM 1046 CB LYS A 67 7.190 0.938 -10.983 1.00 60.33 C ATOM 1047 CG LYS A 67 7.490 2.396 -11.421 1.00 22.13 C ATOM 1048 CD LYS A 67 8.998 2.736 -11.403 1.00 71.32 C ATOM 1049 CE LYS A 67 9.278 4.210 -11.729 1.00 20.11 C ATOM 1050 NZ LYS A 67 8.837 4.569 -13.098 1.00 72.42 N ATOM 0 H LYS A 67 8.164 -1.370 -8.907 1.00 63.12 H new ATOM 0 HA LYS A 67 8.778 0.631 -9.601 1.00 51.40 H new ATOM 0 HB2 LYS A 67 7.649 0.257 -11.699 1.00 60.33 H new ATOM 0 HB3 LYS A 67 6.114 0.773 -11.031 1.00 60.33 H new ATOM 0 HG2 LYS A 67 7.100 2.555 -12.426 1.00 22.13 H new ATOM 0 HG3 LYS A 67 6.961 3.084 -10.761 1.00 22.13 H new ATOM 0 HD2 LYS A 67 9.407 2.502 -10.420 1.00 71.32 H new ATOM 0 HD3 LYS A 67 9.517 2.104 -12.123 1.00 71.32 H new ATOM 0 HE2 LYS A 67 8.767 4.845 -11.005 1.00 20.11 H new ATOM 0 HE3 LYS A 67 10.345 4.407 -11.628 1.00 20.11 H new ATOM 0 HZ1 LYS A 67 9.075 5.563 -13.290 1.00 72.42 H new ATOM 0 HZ2 LYS A 67 9.318 3.958 -13.789 1.00 72.42 H new ATOM 0 HZ3 LYS A 67 7.808 4.438 -13.177 1.00 72.42 H new ATOM 1064 N LEU A 68 8.071 1.836 -7.519 1.00 1.01 N ATOM 1065 CA LEU A 68 7.802 2.658 -6.351 1.00 14.23 C ATOM 1066 C LEU A 68 8.133 4.128 -6.652 1.00 71.44 C ATOM 1067 O LEU A 68 9.059 4.426 -7.423 1.00 64.20 O ATOM 1068 CB LEU A 68 8.667 2.145 -5.171 1.00 73.45 C ATOM 1069 CG LEU A 68 8.400 0.682 -4.646 1.00 30.50 C ATOM 1070 CD1 LEU A 68 6.962 0.514 -4.116 1.00 43.05 C ATOM 1071 CD2 LEU A 68 8.748 -0.417 -5.684 1.00 42.23 C ATOM 0 H LEU A 68 9.024 1.474 -7.539 1.00 1.01 H new ATOM 0 HA LEU A 68 6.746 2.592 -6.088 1.00 14.23 H new ATOM 0 HB2 LEU A 68 9.713 2.208 -5.470 1.00 73.45 H new ATOM 0 HB3 LEU A 68 8.533 2.831 -4.334 1.00 73.45 H new ATOM 0 HG LEU A 68 9.085 0.542 -3.810 1.00 30.50 H new ATOM 0 HD11 LEU A 68 6.821 -0.508 -3.764 1.00 43.05 H new ATOM 0 HD12 LEU A 68 6.795 1.208 -3.292 1.00 43.05 H new ATOM 0 HD13 LEU A 68 6.252 0.724 -4.916 1.00 43.05 H new ATOM 0 HD21 LEU A 68 8.541 -1.399 -5.258 1.00 42.23 H new ATOM 0 HD22 LEU A 68 8.144 -0.275 -6.580 1.00 42.23 H new ATOM 0 HD23 LEU A 68 9.804 -0.350 -5.944 1.00 42.23 H new ATOM 1083 N LEU A 69 7.375 5.032 -6.024 1.00 1.55 N ATOM 1084 CA LEU A 69 7.592 6.484 -6.107 1.00 65.05 C ATOM 1085 C LEU A 69 8.586 6.912 -5.032 1.00 22.21 C ATOM 1086 O LEU A 69 8.225 7.569 -4.048 1.00 65.03 O ATOM 1087 CB LEU A 69 6.260 7.251 -5.934 1.00 70.23 C ATOM 1088 CG LEU A 69 5.155 6.951 -6.979 1.00 32.22 C ATOM 1089 CD1 LEU A 69 3.899 7.774 -6.659 1.00 14.24 C ATOM 1090 CD2 LEU A 69 5.653 7.201 -8.426 1.00 54.35 C ATOM 0 H LEU A 69 6.583 4.775 -5.435 1.00 1.55 H new ATOM 0 HA LEU A 69 7.995 6.722 -7.092 1.00 65.05 H new ATOM 0 HB2 LEU A 69 5.863 7.029 -4.943 1.00 70.23 H new ATOM 0 HB3 LEU A 69 6.474 8.319 -5.960 1.00 70.23 H new ATOM 0 HG LEU A 69 4.899 5.893 -6.919 1.00 32.22 H new ATOM 0 HD11 LEU A 69 3.126 7.559 -7.397 1.00 14.24 H new ATOM 0 HD12 LEU A 69 3.536 7.512 -5.665 1.00 14.24 H new ATOM 0 HD13 LEU A 69 4.143 8.836 -6.688 1.00 14.24 H new ATOM 0 HD21 LEU A 69 4.851 6.980 -9.130 1.00 54.35 H new ATOM 0 HD22 LEU A 69 5.952 8.244 -8.533 1.00 54.35 H new ATOM 0 HD23 LEU A 69 6.506 6.555 -8.634 1.00 54.35 H new ATOM 1102 N ASP A 70 9.831 6.478 -5.199 1.00 52.03 N ATOM 1103 CA ASP A 70 10.922 6.882 -4.307 1.00 70.42 C ATOM 1104 C ASP A 70 11.502 8.210 -4.834 1.00 72.31 C ATOM 1105 O ASP A 70 12.095 8.226 -5.904 1.00 73.35 O ATOM 1106 CB ASP A 70 12.018 5.801 -4.218 1.00 65.32 C ATOM 1107 CG ASP A 70 13.041 6.084 -3.094 1.00 42.32 C ATOM 1108 OD1 ASP A 70 14.010 6.822 -3.331 1.00 21.22 O ATOM 1109 OD2 ASP A 70 12.861 5.590 -1.959 1.00 32.02 O ATOM 0 H ASP A 70 10.114 5.844 -5.946 1.00 52.03 H new ATOM 0 HA ASP A 70 10.534 7.013 -3.297 1.00 70.42 H new ATOM 0 HB2 ASP A 70 11.553 4.830 -4.045 1.00 65.32 H new ATOM 0 HB3 ASP A 70 12.540 5.739 -5.173 1.00 65.32 H new ATOM 1114 N PRO A 71 11.300 9.344 -4.107 1.00 23.43 N ATOM 1115 CA PRO A 71 11.750 10.694 -4.544 1.00 40.11 C ATOM 1116 C PRO A 71 13.278 10.801 -4.772 1.00 24.03 C ATOM 1117 O PRO A 71 13.727 11.607 -5.591 1.00 75.43 O ATOM 1118 CB PRO A 71 11.288 11.619 -3.384 1.00 51.14 C ATOM 1119 CG PRO A 71 10.221 10.847 -2.674 1.00 32.43 C ATOM 1120 CD PRO A 71 10.598 9.404 -2.805 1.00 31.44 C ATOM 0 HA PRO A 71 11.329 10.958 -5.514 1.00 40.11 H new ATOM 0 HB2 PRO A 71 12.115 11.856 -2.715 1.00 51.14 H new ATOM 0 HB3 PRO A 71 10.904 12.566 -3.763 1.00 51.14 H new ATOM 0 HG2 PRO A 71 10.159 11.140 -1.626 1.00 32.43 H new ATOM 0 HG3 PRO A 71 9.243 11.036 -3.116 1.00 32.43 H new ATOM 0 HD2 PRO A 71 11.242 9.082 -1.987 1.00 31.44 H new ATOM 0 HD3 PRO A 71 9.720 8.758 -2.793 1.00 31.44 H new ATOM 1128 N SER A 72 14.055 9.982 -4.035 1.00 63.14 N ATOM 1129 CA SER A 72 15.524 9.955 -4.149 1.00 4.41 C ATOM 1130 C SER A 72 15.944 9.308 -5.488 1.00 62.32 C ATOM 1131 O SER A 72 16.760 9.869 -6.220 1.00 73.22 O ATOM 1132 CB SER A 72 16.145 9.201 -2.937 1.00 24.20 C ATOM 1133 OG SER A 72 17.552 9.072 -3.048 1.00 33.44 O ATOM 0 H SER A 72 13.683 9.325 -3.349 1.00 63.14 H new ATOM 0 HA SER A 72 15.901 10.978 -4.137 1.00 4.41 H new ATOM 0 HB2 SER A 72 15.903 9.734 -2.017 1.00 24.20 H new ATOM 0 HB3 SER A 72 15.696 8.211 -2.859 1.00 24.20 H new ATOM 0 HG SER A 72 17.899 8.594 -2.266 1.00 33.44 H new ATOM 1227 N GLN B 105 -7.632 14.234 -1.075 1.00 5.32 N ATOM 1228 CA GLN B 105 -7.170 13.315 -0.012 1.00 10.12 C ATOM 1229 C GLN B 105 -6.823 11.916 -0.576 1.00 74.20 C ATOM 1230 O GLN B 105 -6.336 11.054 0.154 1.00 24.32 O ATOM 1231 CB GLN B 105 -8.244 13.207 1.119 1.00 41.52 C ATOM 1232 CG GLN B 105 -9.728 13.070 0.672 1.00 73.34 C ATOM 1233 CD GLN B 105 -9.989 12.098 -0.480 1.00 73.52 C ATOM 1234 OE1 GLN B 105 -10.069 12.506 -1.644 1.00 53.33 O ATOM 1235 NE2 GLN B 105 -9.976 10.815 -0.188 1.00 32.21 N ATOM 0 HA GLN B 105 -6.256 13.730 0.412 1.00 10.12 H new ATOM 0 HB2 GLN B 105 -7.996 12.346 1.740 1.00 41.52 H new ATOM 0 HB3 GLN B 105 -8.161 14.091 1.751 1.00 41.52 H new ATOM 0 HG2 GLN B 105 -10.319 12.753 1.531 1.00 73.34 H new ATOM 0 HG3 GLN B 105 -10.093 14.055 0.381 1.00 73.34 H new ATOM 0 HE21 GLN B 105 -9.909 10.514 0.784 1.00 32.21 H new ATOM 0 HE22 GLN B 105 -10.033 10.122 -0.934 1.00 32.21 H new ATOM 1244 N LEU B 106 -7.175 11.681 -1.854 1.00 44.45 N ATOM 1245 CA LEU B 106 -6.798 10.470 -2.566 1.00 53.23 C ATOM 1246 C LEU B 106 -5.417 10.721 -3.195 1.00 63.20 C ATOM 1247 O LEU B 106 -5.288 11.378 -4.244 1.00 21.43 O ATOM 1248 CB LEU B 106 -7.863 10.089 -3.620 1.00 74.34 C ATOM 1249 CG LEU B 106 -7.645 8.701 -4.285 1.00 34.34 C ATOM 1250 CD1 LEU B 106 -7.814 7.560 -3.271 1.00 15.22 C ATOM 1251 CD2 LEU B 106 -8.550 8.508 -5.519 1.00 34.11 C ATOM 0 H LEU B 106 -7.728 12.332 -2.412 1.00 44.45 H new ATOM 0 HA LEU B 106 -6.741 9.621 -1.885 1.00 53.23 H new ATOM 0 HB2 LEU B 106 -8.845 10.101 -3.147 1.00 74.34 H new ATOM 0 HB3 LEU B 106 -7.875 10.852 -4.398 1.00 74.34 H new ATOM 0 HG LEU B 106 -6.615 8.670 -4.640 1.00 34.34 H new ATOM 0 HD11 LEU B 106 -7.655 6.604 -3.769 1.00 15.22 H new ATOM 0 HD12 LEU B 106 -7.086 7.676 -2.468 1.00 15.22 H new ATOM 0 HD13 LEU B 106 -8.821 7.589 -2.855 1.00 15.22 H new ATOM 0 HD21 LEU B 106 -8.367 7.526 -5.954 1.00 34.11 H new ATOM 0 HD22 LEU B 106 -9.595 8.583 -5.219 1.00 34.11 H new ATOM 0 HD23 LEU B 106 -8.328 9.279 -6.257 1.00 34.11 H new ATOM 1263 N LEU B 107 -4.399 10.178 -2.534 1.00 23.41 N ATOM 1264 CA LEU B 107 -3.002 10.605 -2.683 1.00 71.51 C ATOM 1265 C LEU B 107 -2.068 9.401 -2.556 1.00 52.03 C ATOM 1266 O LEU B 107 -2.482 8.263 -2.707 1.00 31.11 O ATOM 1267 CB LEU B 107 -2.688 11.727 -1.626 1.00 64.42 C ATOM 1268 CG LEU B 107 -3.202 11.499 -0.163 1.00 2.12 C ATOM 1269 CD1 LEU B 107 -2.405 10.418 0.601 1.00 14.43 C ATOM 1270 CD2 LEU B 107 -3.253 12.829 0.620 1.00 63.52 C ATOM 0 H LEU B 107 -4.519 9.415 -1.867 1.00 23.41 H new ATOM 0 HA LEU B 107 -2.839 11.027 -3.674 1.00 71.51 H new ATOM 0 HB2 LEU B 107 -1.607 11.861 -1.587 1.00 64.42 H new ATOM 0 HB3 LEU B 107 -3.112 12.663 -1.991 1.00 64.42 H new ATOM 0 HG LEU B 107 -4.218 11.114 -0.248 1.00 2.12 H new ATOM 0 HD11 LEU B 107 -2.811 10.309 1.607 1.00 14.43 H new ATOM 0 HD12 LEU B 107 -2.483 9.467 0.073 1.00 14.43 H new ATOM 0 HD13 LEU B 107 -1.358 10.714 0.663 1.00 14.43 H new ATOM 0 HD21 LEU B 107 -3.613 12.642 1.632 1.00 63.52 H new ATOM 0 HD22 LEU B 107 -2.254 13.263 0.665 1.00 63.52 H new ATOM 0 HD23 LEU B 107 -3.928 13.522 0.117 1.00 63.52 H new ATOM 1282 N HIS B 108 -0.798 9.674 -2.273 1.00 13.02 N ATOM 1283 CA HIS B 108 0.241 8.657 -2.209 1.00 61.15 C ATOM 1284 C HIS B 108 0.356 8.108 -0.772 1.00 43.41 C ATOM 1285 O HIS B 108 0.681 8.862 0.143 1.00 74.51 O ATOM 1286 CB HIS B 108 1.581 9.270 -2.683 1.00 0.11 C ATOM 1287 CG HIS B 108 1.564 9.814 -4.098 1.00 3.11 C ATOM 1288 ND1 HIS B 108 2.688 10.290 -4.736 1.00 23.54 N ATOM 1289 CD2 HIS B 108 0.544 9.999 -4.972 1.00 64.24 C ATOM 1290 CE1 HIS B 108 2.353 10.757 -5.927 1.00 64.55 C ATOM 1291 NE2 HIS B 108 1.062 10.592 -6.093 1.00 65.02 N ATOM 0 H HIS B 108 -0.460 10.617 -2.080 1.00 13.02 H new ATOM 0 HA HIS B 108 -0.014 7.824 -2.864 1.00 61.15 H new ATOM 0 HB2 HIS B 108 1.857 10.075 -2.002 1.00 0.11 H new ATOM 0 HB3 HIS B 108 2.359 8.510 -2.610 1.00 0.11 H new ATOM 0 HD2 HIS B 108 -0.489 9.728 -4.813 1.00 64.24 H new ATOM 0 HE1 HIS B 108 3.029 11.200 -6.643 1.00 64.55 H new ATOM 0 HE2 HIS B 108 0.531 10.861 -6.921 1.00 65.02 H new ATOM 1300 N ILE B 109 0.042 6.808 -0.583 1.00 52.35 N ATOM 1301 CA ILE B 109 0.302 6.099 0.692 1.00 70.32 C ATOM 1302 C ILE B 109 1.808 5.811 0.830 1.00 43.44 C ATOM 1303 O ILE B 109 2.557 5.875 -0.145 1.00 2.31 O ATOM 1304 CB ILE B 109 -0.479 4.730 0.806 1.00 25.24 C ATOM 1305 CG1 ILE B 109 -0.020 3.740 -0.325 1.00 71.01 C ATOM 1306 CG2 ILE B 109 -2.004 4.953 0.800 1.00 2.23 C ATOM 1307 CD1 ILE B 109 -0.756 2.406 -0.396 1.00 64.45 C ATOM 0 H ILE B 109 -0.393 6.226 -1.299 1.00 52.35 H new ATOM 0 HA ILE B 109 -0.050 6.755 1.489 1.00 70.32 H new ATOM 0 HB ILE B 109 -0.234 4.271 1.764 1.00 25.24 H new ATOM 0 HG12 ILE B 109 -0.131 4.243 -1.286 1.00 71.01 H new ATOM 0 HG13 ILE B 109 1.043 3.538 -0.192 1.00 71.01 H new ATOM 0 HG21 ILE B 109 -2.513 3.992 0.880 1.00 2.23 H new ATOM 0 HG22 ILE B 109 -2.283 5.582 1.645 1.00 2.23 H new ATOM 0 HG23 ILE B 109 -2.297 5.442 -0.129 1.00 2.23 H new ATOM 0 HD11 ILE B 109 -0.351 1.810 -1.214 1.00 64.45 H new ATOM 0 HD12 ILE B 109 -0.626 1.868 0.543 1.00 64.45 H new ATOM 0 HD13 ILE B 109 -1.817 2.585 -0.568 1.00 64.45 H new ATOM 1319 N VAL B 110 2.221 5.436 2.038 1.00 14.43 N ATOM 1320 CA VAL B 110 3.625 5.153 2.368 1.00 61.15 C ATOM 1321 C VAL B 110 3.780 3.710 2.845 1.00 21.33 C ATOM 1322 O VAL B 110 3.123 3.263 3.795 1.00 71.20 O ATOM 1323 CB VAL B 110 4.183 6.172 3.426 1.00 12.42 C ATOM 1324 CG1 VAL B 110 4.682 7.435 2.723 1.00 71.02 C ATOM 1325 CG2 VAL B 110 3.108 6.524 4.493 1.00 34.11 C ATOM 0 H VAL B 110 1.587 5.317 2.828 1.00 14.43 H new ATOM 0 HA VAL B 110 4.219 5.276 1.462 1.00 61.15 H new ATOM 0 HB VAL B 110 5.019 5.703 3.945 1.00 12.42 H new ATOM 0 HG11 VAL B 110 5.067 8.136 3.464 1.00 71.02 H new ATOM 0 HG12 VAL B 110 5.476 7.173 2.024 1.00 71.02 H new ATOM 0 HG13 VAL B 110 3.859 7.898 2.179 1.00 71.02 H new ATOM 0 HG21 VAL B 110 3.525 7.231 5.210 1.00 34.11 H new ATOM 0 HG22 VAL B 110 2.243 6.971 4.004 1.00 34.11 H new ATOM 0 HG23 VAL B 110 2.802 5.617 5.014 1.00 34.11 H new ATOM 1335 N VAL B 111 4.646 2.983 2.135 1.00 20.14 N ATOM 1336 CA VAL B 111 4.974 1.580 2.410 1.00 64.21 C ATOM 1337 C VAL B 111 6.499 1.409 2.350 1.00 10.53 C ATOM 1338 O VAL B 111 7.195 2.206 1.721 1.00 13.42 O ATOM 1339 CB VAL B 111 4.283 0.594 1.378 1.00 40.55 C ATOM 1340 CG1 VAL B 111 2.738 0.763 1.354 1.00 13.31 C ATOM 1341 CG2 VAL B 111 4.888 0.741 -0.043 1.00 61.04 C ATOM 0 H VAL B 111 5.151 3.362 1.334 1.00 20.14 H new ATOM 0 HA VAL B 111 4.597 1.328 3.401 1.00 64.21 H new ATOM 0 HB VAL B 111 4.490 -0.419 1.723 1.00 40.55 H new ATOM 0 HG11 VAL B 111 2.307 0.068 0.633 1.00 13.31 H new ATOM 0 HG12 VAL B 111 2.334 0.555 2.345 1.00 13.31 H new ATOM 0 HG13 VAL B 111 2.488 1.784 1.067 1.00 13.31 H new ATOM 0 HG21 VAL B 111 4.390 0.050 -0.724 1.00 61.04 H new ATOM 0 HG22 VAL B 111 4.746 1.763 -0.395 1.00 61.04 H new ATOM 0 HG23 VAL B 111 5.953 0.514 -0.010 1.00 61.04 H new ATOM 1351 N GLY B 112 6.999 0.379 3.008 1.00 43.25 N ATOM 1352 CA GLY B 112 8.402 -0.002 2.900 1.00 61.31 C ATOM 1353 C GLY B 112 8.644 -1.353 3.510 1.00 32.12 C ATOM 1354 O GLY B 112 7.709 -2.139 3.611 1.00 1.11 O ATOM 0 H GLY B 112 6.451 -0.216 3.629 1.00 43.25 H new ATOM 0 HA2 GLY B 112 8.699 -0.015 1.851 1.00 61.31 H new ATOM 0 HA3 GLY B 112 9.023 0.742 3.398 1.00 61.31 H new ATOM 1358 N GLY B 113 9.898 -1.641 3.895 1.00 5.21 N ATOM 1359 CA GLY B 113 10.242 -2.902 4.558 1.00 44.21 C ATOM 1360 C GLY B 113 11.500 -3.522 3.998 1.00 61.34 C ATOM 1361 O GLY B 113 12.185 -2.894 3.175 1.00 33.30 O ATOM 0 H GLY B 113 10.690 -1.013 3.756 1.00 5.21 H new ATOM 0 HA2 GLY B 113 10.372 -2.724 5.626 1.00 44.21 H new ATOM 0 HA3 GLY B 113 9.415 -3.604 4.450 1.00 44.21 H new ATOM 1365 N GLU B 114 11.796 -4.769 4.435 1.00 14.44 N ATOM 1366 CA GLU B 114 13.045 -5.467 4.066 1.00 22.52 C ATOM 1367 C GLU B 114 13.090 -5.808 2.579 1.00 1.53 C ATOM 1368 O GLU B 114 12.078 -6.173 1.970 1.00 10.14 O ATOM 1369 CB GLU B 114 13.289 -6.751 4.909 1.00 62.32 C ATOM 1370 CG GLU B 114 13.894 -6.489 6.305 1.00 44.55 C ATOM 1371 CD GLU B 114 14.451 -7.762 6.948 1.00 41.31 C ATOM 1372 OE1 GLU B 114 15.570 -8.177 6.568 1.00 73.53 O ATOM 1373 OE2 GLU B 114 13.775 -8.367 7.801 1.00 22.45 O ATOM 0 H GLU B 114 11.184 -5.311 5.045 1.00 14.44 H new ATOM 0 HA GLU B 114 13.848 -4.764 4.288 1.00 22.52 H new ATOM 0 HB2 GLU B 114 12.342 -7.278 5.029 1.00 62.32 H new ATOM 0 HB3 GLU B 114 13.955 -7.414 4.356 1.00 62.32 H new ATOM 0 HG2 GLU B 114 14.690 -5.750 6.220 1.00 44.55 H new ATOM 0 HG3 GLU B 114 13.130 -6.061 6.955 1.00 44.55 H new ATOM 1380 N LEU B 115 14.302 -5.688 2.039 1.00 74.11 N ATOM 1381 CA LEU B 115 14.639 -5.972 0.646 1.00 60.31 C ATOM 1382 C LEU B 115 15.688 -7.099 0.596 1.00 1.21 C ATOM 1383 O LEU B 115 16.413 -7.331 1.571 1.00 41.12 O ATOM 1384 CB LEU B 115 15.168 -4.668 -0.010 1.00 24.53 C ATOM 1385 CG LEU B 115 14.119 -3.528 -0.175 1.00 34.02 C ATOM 1386 CD1 LEU B 115 14.734 -2.261 -0.778 1.00 44.22 C ATOM 1387 CD2 LEU B 115 12.933 -3.989 -1.025 1.00 21.55 C ATOM 0 H LEU B 115 15.108 -5.378 2.582 1.00 74.11 H new ATOM 0 HA LEU B 115 13.762 -6.308 0.093 1.00 60.31 H new ATOM 0 HB2 LEU B 115 15.997 -4.291 0.589 1.00 24.53 H new ATOM 0 HB3 LEU B 115 15.570 -4.913 -0.993 1.00 24.53 H new ATOM 0 HG LEU B 115 13.763 -3.283 0.826 1.00 34.02 H new ATOM 0 HD11 LEU B 115 13.966 -1.494 -0.874 1.00 44.22 H new ATOM 0 HD12 LEU B 115 15.530 -1.898 -0.128 1.00 44.22 H new ATOM 0 HD13 LEU B 115 15.145 -2.489 -1.762 1.00 44.22 H new ATOM 0 HD21 LEU B 115 12.217 -3.173 -1.123 1.00 21.55 H new ATOM 0 HD22 LEU B 115 13.286 -4.283 -2.013 1.00 21.55 H new ATOM 0 HD23 LEU B 115 12.450 -4.840 -0.545 1.00 21.55 H new ATOM 1399 N LYS B 116 15.739 -7.810 -0.540 1.00 71.30 N ATOM 1400 CA LYS B 116 16.712 -8.896 -0.789 1.00 70.45 C ATOM 1401 C LYS B 116 18.125 -8.326 -0.977 1.00 21.32 C ATOM 1402 O LYS B 116 19.115 -9.045 -0.831 1.00 61.45 O ATOM 1403 CB LYS B 116 16.301 -9.691 -2.053 1.00 53.41 C ATOM 1404 CG LYS B 116 14.972 -10.458 -1.934 1.00 70.51 C ATOM 1405 CD LYS B 116 14.551 -11.110 -3.269 1.00 14.03 C ATOM 1406 CE LYS B 116 13.307 -11.984 -3.117 1.00 40.24 C ATOM 1407 NZ LYS B 116 13.530 -13.139 -2.211 1.00 25.30 N ATOM 0 H LYS B 116 15.103 -7.650 -1.321 1.00 71.30 H new ATOM 0 HA LYS B 116 16.715 -9.560 0.075 1.00 70.45 H new ATOM 0 HB2 LYS B 116 16.230 -8.999 -2.892 1.00 53.41 H new ATOM 0 HB3 LYS B 116 17.093 -10.401 -2.291 1.00 53.41 H new ATOM 0 HG2 LYS B 116 15.067 -11.229 -1.170 1.00 70.51 H new ATOM 0 HG3 LYS B 116 14.189 -9.775 -1.603 1.00 70.51 H new ATOM 0 HD2 LYS B 116 14.358 -10.331 -4.007 1.00 14.03 H new ATOM 0 HD3 LYS B 116 15.373 -11.715 -3.651 1.00 14.03 H new ATOM 0 HE2 LYS B 116 12.486 -11.378 -2.733 1.00 40.24 H new ATOM 0 HE3 LYS B 116 13.002 -12.349 -4.098 1.00 40.24 H new ATOM 0 HZ1 LYS B 116 12.745 -13.814 -2.310 1.00 25.30 H new ATOM 0 HZ2 LYS B 116 14.424 -13.608 -2.460 1.00 25.30 H new ATOM 0 HZ3 LYS B 116 13.577 -12.805 -1.227 1.00 25.30 H new ATOM 1421 N ASP B 117 18.189 -7.030 -1.309 1.00 31.54 N ATOM 1422 CA ASP B 117 19.445 -6.302 -1.513 1.00 3.04 C ATOM 1423 C ASP B 117 19.262 -4.847 -1.039 1.00 73.14 C ATOM 1424 O ASP B 117 18.144 -4.329 -1.058 1.00 22.45 O ATOM 1425 CB ASP B 117 19.865 -6.367 -3.007 1.00 75.45 C ATOM 1426 CG ASP B 117 21.247 -5.753 -3.287 1.00 74.33 C ATOM 1427 OD1 ASP B 117 21.334 -4.532 -3.548 1.00 11.22 O ATOM 1428 OD2 ASP B 117 22.259 -6.488 -3.223 1.00 4.34 O ATOM 0 H ASP B 117 17.359 -6.452 -1.445 1.00 31.54 H new ATOM 0 HA ASP B 117 20.243 -6.761 -0.930 1.00 3.04 H new ATOM 0 HB2 ASP B 117 19.867 -7.408 -3.330 1.00 75.45 H new ATOM 0 HB3 ASP B 117 19.118 -5.849 -3.608 1.00 75.45 H new ATOM 1433 N VAL B 118 20.369 -4.205 -0.628 1.00 13.41 N ATOM 1434 CA VAL B 118 20.372 -2.821 -0.088 1.00 43.35 C ATOM 1435 C VAL B 118 19.778 -1.789 -1.082 1.00 53.04 C ATOM 1436 O VAL B 118 19.021 -0.893 -0.688 1.00 5.44 O ATOM 1437 CB VAL B 118 21.831 -2.399 0.332 1.00 54.22 C ATOM 1438 CG1 VAL B 118 22.321 -3.243 1.533 1.00 71.32 C ATOM 1439 CG2 VAL B 118 22.831 -2.502 -0.855 1.00 2.33 C ATOM 0 H VAL B 118 21.296 -4.629 -0.659 1.00 13.41 H new ATOM 0 HA VAL B 118 19.728 -2.823 0.791 1.00 43.35 H new ATOM 0 HB VAL B 118 21.791 -1.352 0.634 1.00 54.22 H new ATOM 0 HG11 VAL B 118 23.330 -2.935 1.806 1.00 71.32 H new ATOM 0 HG12 VAL B 118 21.653 -3.091 2.381 1.00 71.32 H new ATOM 0 HG13 VAL B 118 22.325 -4.298 1.259 1.00 71.32 H new ATOM 0 HG21 VAL B 118 23.824 -2.202 -0.521 1.00 2.33 H new ATOM 0 HG22 VAL B 118 22.864 -3.530 -1.214 1.00 2.33 H new ATOM 0 HG23 VAL B 118 22.506 -1.846 -1.662 1.00 2.33 H new ATOM 1449 N ALA B 119 20.128 -1.946 -2.364 1.00 33.50 N ATOM 1450 CA ALA B 119 19.610 -1.116 -3.464 1.00 12.35 C ATOM 1451 C ALA B 119 18.477 -1.860 -4.183 1.00 22.11 C ATOM 1452 O ALA B 119 17.570 -1.231 -4.738 1.00 53.31 O ATOM 1453 CB ALA B 119 20.749 -0.770 -4.439 1.00 3.32 C ATOM 0 H ALA B 119 20.787 -2.661 -2.673 1.00 33.50 H new ATOM 0 HA ALA B 119 19.210 -0.185 -3.063 1.00 12.35 H new ATOM 0 HB1 ALA B 119 20.359 -0.156 -5.251 1.00 3.32 H new ATOM 0 HB2 ALA B 119 21.527 -0.220 -3.909 1.00 3.32 H new ATOM 0 HB3 ALA B 119 21.169 -1.689 -4.849 1.00 3.32 H new ATOM 1459 N GLY B 120 18.544 -3.208 -4.133 1.00 11.24 N ATOM 1460 CA GLY B 120 17.611 -4.084 -4.841 1.00 50.35 C ATOM 1461 C GLY B 120 16.189 -3.981 -4.303 1.00 21.12 C ATOM 1462 O GLY B 120 15.921 -4.425 -3.187 1.00 42.54 O ATOM 0 H GLY B 120 19.251 -3.711 -3.597 1.00 11.24 H new ATOM 0 HA2 GLY B 120 17.614 -3.831 -5.901 1.00 50.35 H new ATOM 0 HA3 GLY B 120 17.953 -5.116 -4.759 1.00 50.35 H new ATOM 1466 N VAL B 121 15.271 -3.427 -5.127 1.00 10.23 N ATOM 1467 CA VAL B 121 13.887 -3.070 -4.728 1.00 43.35 C ATOM 1468 C VAL B 121 12.931 -4.306 -4.857 1.00 10.21 C ATOM 1469 O VAL B 121 11.789 -4.224 -5.324 1.00 61.42 O ATOM 1470 CB VAL B 121 13.389 -1.838 -5.600 1.00 54.43 C ATOM 1471 CG1 VAL B 121 12.047 -1.275 -5.092 1.00 74.10 C ATOM 1472 CG2 VAL B 121 14.455 -0.716 -5.658 1.00 65.35 C ATOM 0 H VAL B 121 15.472 -3.211 -6.103 1.00 10.23 H new ATOM 0 HA VAL B 121 13.876 -2.774 -3.679 1.00 43.35 H new ATOM 0 HB VAL B 121 13.232 -2.216 -6.610 1.00 54.43 H new ATOM 0 HG11 VAL B 121 11.745 -0.435 -5.717 1.00 74.10 H new ATOM 0 HG12 VAL B 121 11.285 -2.053 -5.137 1.00 74.10 H new ATOM 0 HG13 VAL B 121 12.160 -0.938 -4.062 1.00 74.10 H new ATOM 0 HG21 VAL B 121 14.081 0.110 -6.262 1.00 65.35 H new ATOM 0 HG22 VAL B 121 14.665 -0.361 -4.649 1.00 65.35 H new ATOM 0 HG23 VAL B 121 15.370 -1.106 -6.104 1.00 65.35 H new ATOM 1482 N GLU B 122 13.438 -5.470 -4.443 1.00 41.11 N ATOM 1483 CA GLU B 122 12.696 -6.735 -4.422 1.00 4.32 C ATOM 1484 C GLU B 122 12.475 -7.091 -2.954 1.00 61.34 C ATOM 1485 O GLU B 122 13.439 -7.440 -2.272 1.00 31.23 O ATOM 1486 CB GLU B 122 13.507 -7.858 -5.140 1.00 65.13 C ATOM 1487 CG GLU B 122 13.700 -7.681 -6.663 1.00 72.45 C ATOM 1488 CD GLU B 122 14.574 -6.476 -7.064 1.00 0.30 C ATOM 1489 OE1 GLU B 122 15.785 -6.484 -6.769 1.00 54.43 O ATOM 1490 OE2 GLU B 122 14.061 -5.531 -7.705 1.00 21.40 O ATOM 0 H GLU B 122 14.396 -5.562 -4.106 1.00 41.11 H new ATOM 0 HA GLU B 122 11.746 -6.637 -4.947 1.00 4.32 H new ATOM 0 HB2 GLU B 122 14.490 -7.924 -4.674 1.00 65.13 H new ATOM 0 HB3 GLU B 122 13.006 -8.810 -4.965 1.00 65.13 H new ATOM 0 HG2 GLU B 122 14.148 -8.589 -7.067 1.00 72.45 H new ATOM 0 HG3 GLU B 122 12.721 -7.574 -7.130 1.00 72.45 H new ATOM 1497 N PHE B 123 11.230 -6.931 -2.462 1.00 21.12 N ATOM 1498 CA PHE B 123 10.877 -7.190 -1.051 1.00 64.45 C ATOM 1499 C PHE B 123 11.295 -8.616 -0.617 1.00 63.03 C ATOM 1500 O PHE B 123 10.851 -9.601 -1.212 1.00 42.42 O ATOM 1501 CB PHE B 123 9.357 -6.967 -0.825 1.00 3.21 C ATOM 1502 CG PHE B 123 8.847 -5.529 -1.073 1.00 65.34 C ATOM 1503 CD1 PHE B 123 9.615 -4.404 -0.734 1.00 22.03 C ATOM 1504 CD2 PHE B 123 7.575 -5.303 -1.602 1.00 21.21 C ATOM 1505 CE1 PHE B 123 9.136 -3.120 -0.943 1.00 12.55 C ATOM 1506 CE2 PHE B 123 7.100 -4.017 -1.801 1.00 32.43 C ATOM 1507 CZ PHE B 123 7.875 -2.927 -1.466 1.00 71.42 C ATOM 0 H PHE B 123 10.442 -6.619 -3.030 1.00 21.12 H new ATOM 0 HA PHE B 123 11.428 -6.484 -0.430 1.00 64.45 H new ATOM 0 HB2 PHE B 123 8.808 -7.645 -1.478 1.00 3.21 H new ATOM 0 HB3 PHE B 123 9.116 -7.247 0.201 1.00 3.21 H new ATOM 0 HD1 PHE B 123 10.596 -4.541 -0.303 1.00 22.03 H new ATOM 0 HD2 PHE B 123 6.950 -6.145 -1.861 1.00 21.21 H new ATOM 0 HE1 PHE B 123 9.752 -2.268 -0.695 1.00 12.55 H new ATOM 0 HE2 PHE B 123 6.116 -3.867 -2.221 1.00 32.43 H new ATOM 0 HZ PHE B 123 7.496 -1.926 -1.613 1.00 71.42 H new ATOM 1517 N ARG B 124 12.179 -8.691 0.407 1.00 3.14 N ATOM 1518 CA ARG B 124 12.703 -9.963 0.950 1.00 43.45 C ATOM 1519 C ARG B 124 11.559 -10.868 1.416 1.00 14.44 C ATOM 1520 O ARG B 124 11.534 -12.073 1.127 1.00 13.30 O ATOM 1521 CB ARG B 124 13.679 -9.694 2.134 1.00 33.43 C ATOM 1522 CG ARG B 124 14.256 -10.965 2.800 1.00 41.15 C ATOM 1523 CD ARG B 124 15.104 -10.683 4.054 1.00 31.30 C ATOM 1524 NE ARG B 124 15.509 -11.944 4.708 1.00 24.34 N ATOM 1525 CZ ARG B 124 15.792 -12.097 6.013 1.00 62.31 C ATOM 1526 NH1 ARG B 124 15.737 -11.068 6.851 1.00 14.23 N ATOM 1527 NH2 ARG B 124 16.127 -13.298 6.479 1.00 73.15 N ATOM 0 H ARG B 124 12.549 -7.866 0.880 1.00 3.14 H new ATOM 0 HA ARG B 124 13.247 -10.469 0.152 1.00 43.45 H new ATOM 0 HB2 ARG B 124 14.506 -9.083 1.773 1.00 33.43 H new ATOM 0 HB3 ARG B 124 13.157 -9.109 2.891 1.00 33.43 H new ATOM 0 HG2 ARG B 124 13.433 -11.626 3.071 1.00 41.15 H new ATOM 0 HG3 ARG B 124 14.868 -11.499 2.072 1.00 41.15 H new ATOM 0 HD2 ARG B 124 15.990 -10.110 3.778 1.00 31.30 H new ATOM 0 HD3 ARG B 124 14.534 -10.072 4.754 1.00 31.30 H new ATOM 0 HE ARG B 124 15.580 -12.772 4.117 1.00 24.34 H new ATOM 0 HH11 ARG B 124 15.477 -10.144 6.507 1.00 14.23 H new ATOM 0 HH12 ARG B 124 15.955 -11.202 7.838 1.00 14.23 H new ATOM 0 HH21 ARG B 124 16.168 -14.097 5.847 1.00 73.15 H new ATOM 0 HH22 ARG B 124 16.343 -13.419 7.469 1.00 73.15 H new ATOM 1541 N ASP B 125 10.599 -10.244 2.103 1.00 2.32 N ATOM 1542 CA ASP B 125 9.470 -10.932 2.708 1.00 72.22 C ATOM 1543 C ASP B 125 8.289 -9.960 2.807 1.00 50.42 C ATOM 1544 O ASP B 125 8.432 -8.845 3.318 1.00 23.34 O ATOM 1545 CB ASP B 125 9.881 -11.491 4.097 1.00 14.20 C ATOM 1546 CG ASP B 125 8.762 -12.265 4.799 1.00 15.24 C ATOM 1547 OD1 ASP B 125 8.464 -13.406 4.379 1.00 70.10 O ATOM 1548 OD2 ASP B 125 8.163 -11.735 5.755 1.00 5.23 O ATOM 0 H ASP B 125 10.589 -9.235 2.253 1.00 2.32 H new ATOM 0 HA ASP B 125 9.163 -11.778 2.093 1.00 72.22 H new ATOM 0 HB2 ASP B 125 10.744 -12.146 3.976 1.00 14.20 H new ATOM 0 HB3 ASP B 125 10.195 -10.664 4.734 1.00 14.20 H new ATOM 1553 N LEU B 126 7.124 -10.412 2.312 1.00 43.23 N ATOM 1554 CA LEU B 126 5.893 -9.617 2.203 1.00 40.40 C ATOM 1555 C LEU B 126 5.133 -9.497 3.543 1.00 44.32 C ATOM 1556 O LEU B 126 4.019 -8.959 3.575 1.00 42.13 O ATOM 1557 CB LEU B 126 4.992 -10.238 1.103 1.00 34.10 C ATOM 1558 CG LEU B 126 5.472 -10.056 -0.385 1.00 51.11 C ATOM 1559 CD1 LEU B 126 5.598 -8.559 -0.759 1.00 73.44 C ATOM 1560 CD2 LEU B 126 6.768 -10.840 -0.711 1.00 43.12 C ATOM 0 H LEU B 126 7.012 -11.366 1.968 1.00 43.23 H new ATOM 0 HA LEU B 126 6.170 -8.599 1.929 1.00 40.40 H new ATOM 0 HB2 LEU B 126 4.897 -11.305 1.302 1.00 34.10 H new ATOM 0 HB3 LEU B 126 3.995 -9.807 1.195 1.00 34.10 H new ATOM 0 HG LEU B 126 4.694 -10.494 -1.011 1.00 51.11 H new ATOM 0 HD11 LEU B 126 5.931 -8.469 -1.793 1.00 73.44 H new ATOM 0 HD12 LEU B 126 4.629 -8.073 -0.647 1.00 73.44 H new ATOM 0 HD13 LEU B 126 6.323 -8.079 -0.101 1.00 73.44 H new ATOM 0 HD21 LEU B 126 7.043 -10.671 -1.752 1.00 43.12 H new ATOM 0 HD22 LEU B 126 7.574 -10.497 -0.062 1.00 43.12 H new ATOM 0 HD23 LEU B 126 6.600 -11.905 -0.549 1.00 43.12 H new ATOM 1572 N SER B 127 5.718 -10.021 4.631 1.00 70.12 N ATOM 1573 CA SER B 127 5.258 -9.752 6.013 1.00 23.33 C ATOM 1574 C SER B 127 6.270 -8.831 6.734 1.00 22.23 C ATOM 1575 O SER B 127 5.920 -8.189 7.728 1.00 23.44 O ATOM 1576 CB SER B 127 5.053 -11.073 6.794 1.00 1.33 C ATOM 1577 OG SER B 127 4.542 -10.846 8.104 1.00 14.30 O ATOM 0 H SER B 127 6.524 -10.644 4.583 1.00 70.12 H new ATOM 0 HA SER B 127 4.295 -9.244 5.970 1.00 23.33 H new ATOM 0 HB2 SER B 127 4.366 -11.716 6.244 1.00 1.33 H new ATOM 0 HB3 SER B 127 6.002 -11.604 6.862 1.00 1.33 H new ATOM 0 HG SER B 127 4.425 -11.704 8.563 1.00 14.30 H new ATOM 1583 N LYS B 128 7.528 -8.782 6.231 1.00 75.05 N ATOM 1584 CA LYS B 128 8.562 -7.829 6.707 1.00 64.22 C ATOM 1585 C LYS B 128 8.435 -6.467 6.006 1.00 70.04 C ATOM 1586 O LYS B 128 9.284 -5.589 6.205 1.00 44.32 O ATOM 1587 CB LYS B 128 9.997 -8.407 6.496 1.00 15.35 C ATOM 1588 CG LYS B 128 10.415 -9.491 7.511 1.00 1.23 C ATOM 1589 CD LYS B 128 10.397 -8.966 8.969 1.00 23.14 C ATOM 1590 CE LYS B 128 11.051 -9.938 9.964 1.00 72.20 C ATOM 1591 NZ LYS B 128 12.491 -10.144 9.661 1.00 72.35 N ATOM 0 H LYS B 128 7.854 -9.399 5.487 1.00 75.05 H new ATOM 0 HA LYS B 128 8.398 -7.681 7.774 1.00 64.22 H new ATOM 0 HB2 LYS B 128 10.060 -8.826 5.492 1.00 15.35 H new ATOM 0 HB3 LYS B 128 10.714 -7.588 6.545 1.00 15.35 H new ATOM 0 HG2 LYS B 128 9.743 -10.345 7.426 1.00 1.23 H new ATOM 0 HG3 LYS B 128 11.416 -9.848 7.267 1.00 1.23 H new ATOM 0 HD2 LYS B 128 10.915 -8.008 9.011 1.00 23.14 H new ATOM 0 HD3 LYS B 128 9.366 -8.784 9.271 1.00 23.14 H new ATOM 0 HE2 LYS B 128 10.944 -9.550 10.977 1.00 72.20 H new ATOM 0 HE3 LYS B 128 10.531 -10.896 9.933 1.00 72.20 H new ATOM 0 HZ1 LYS B 128 12.633 -11.104 9.286 1.00 72.35 H new ATOM 0 HZ2 LYS B 128 12.800 -9.447 8.954 1.00 72.35 H new ATOM 0 HZ3 LYS B 128 13.049 -10.026 10.531 1.00 72.35 H new ATOM 1605 N VAL B 129 7.389 -6.296 5.176 1.00 73.14 N ATOM 1606 CA VAL B 129 7.085 -5.007 4.555 1.00 32.25 C ATOM 1607 C VAL B 129 6.209 -4.175 5.515 1.00 71.24 C ATOM 1608 O VAL B 129 5.027 -4.473 5.737 1.00 52.13 O ATOM 1609 CB VAL B 129 6.444 -5.146 3.113 1.00 35.31 C ATOM 1610 CG1 VAL B 129 7.449 -5.812 2.156 1.00 52.12 C ATOM 1611 CG2 VAL B 129 5.111 -5.918 3.114 1.00 40.23 C ATOM 0 H VAL B 129 6.741 -7.042 4.923 1.00 73.14 H new ATOM 0 HA VAL B 129 8.024 -4.479 4.387 1.00 32.25 H new ATOM 0 HB VAL B 129 6.215 -4.138 2.768 1.00 35.31 H new ATOM 0 HG11 VAL B 129 7.002 -5.905 1.166 1.00 52.12 H new ATOM 0 HG12 VAL B 129 8.350 -5.202 2.092 1.00 52.12 H new ATOM 0 HG13 VAL B 129 7.708 -6.802 2.531 1.00 52.12 H new ATOM 0 HG21 VAL B 129 4.725 -5.978 2.097 1.00 40.23 H new ATOM 0 HG22 VAL B 129 5.274 -6.924 3.500 1.00 40.23 H new ATOM 0 HG23 VAL B 129 4.390 -5.399 3.746 1.00 40.23 H new ATOM 1621 N GLU B 130 6.846 -3.179 6.159 1.00 33.34 N ATOM 1622 CA GLU B 130 6.164 -2.266 7.075 1.00 12.22 C ATOM 1623 C GLU B 130 5.392 -1.221 6.269 1.00 33.35 C ATOM 1624 O GLU B 130 5.986 -0.336 5.635 1.00 10.13 O ATOM 1625 CB GLU B 130 7.157 -1.580 8.050 1.00 63.22 C ATOM 1626 CG GLU B 130 6.501 -0.535 8.996 1.00 15.45 C ATOM 1627 CD GLU B 130 7.453 0.050 10.052 1.00 31.43 C ATOM 1628 OE1 GLU B 130 8.529 0.540 9.681 1.00 62.22 O ATOM 1629 OE2 GLU B 130 7.116 0.046 11.259 1.00 51.15 O ATOM 0 H GLU B 130 7.843 -2.991 6.055 1.00 33.34 H new ATOM 0 HA GLU B 130 5.469 -2.845 7.682 1.00 12.22 H new ATOM 0 HB2 GLU B 130 7.643 -2.346 8.654 1.00 63.22 H new ATOM 0 HB3 GLU B 130 7.938 -1.089 7.470 1.00 63.22 H new ATOM 0 HG2 GLU B 130 6.100 0.281 8.394 1.00 15.45 H new ATOM 0 HG3 GLU B 130 5.657 -1.002 9.504 1.00 15.45 H new ATOM 1636 N PHE B 131 4.062 -1.357 6.277 1.00 41.31 N ATOM 1637 CA PHE B 131 3.159 -0.354 5.732 1.00 72.10 C ATOM 1638 C PHE B 131 3.170 0.828 6.693 1.00 33.35 C ATOM 1639 O PHE B 131 2.558 0.768 7.763 1.00 42.23 O ATOM 1640 CB PHE B 131 1.738 -0.945 5.566 1.00 71.34 C ATOM 1641 CG PHE B 131 1.716 -2.191 4.682 1.00 40.05 C ATOM 1642 CD1 PHE B 131 1.664 -2.079 3.296 1.00 63.53 C ATOM 1643 CD2 PHE B 131 1.794 -3.469 5.236 1.00 11.55 C ATOM 1644 CE1 PHE B 131 1.694 -3.197 2.492 1.00 51.42 C ATOM 1645 CE2 PHE B 131 1.817 -4.587 4.430 1.00 4.13 C ATOM 1646 CZ PHE B 131 1.772 -4.447 3.058 1.00 74.00 C ATOM 0 H PHE B 131 3.586 -2.171 6.665 1.00 41.31 H new ATOM 0 HA PHE B 131 3.479 -0.029 4.742 1.00 72.10 H new ATOM 0 HB2 PHE B 131 1.336 -1.194 6.548 1.00 71.34 H new ATOM 0 HB3 PHE B 131 1.082 -0.188 5.136 1.00 71.34 H new ATOM 0 HD1 PHE B 131 1.599 -1.100 2.844 1.00 63.53 H new ATOM 0 HD2 PHE B 131 1.837 -3.584 6.309 1.00 11.55 H new ATOM 0 HE1 PHE B 131 1.656 -3.091 1.418 1.00 51.42 H new ATOM 0 HE2 PHE B 131 1.870 -5.571 4.872 1.00 4.13 H new ATOM 0 HZ PHE B 131 1.798 -5.323 2.427 1.00 74.00 H new ATOM 1656 N VAL B 132 3.953 1.861 6.331 1.00 11.42 N ATOM 1657 CA VAL B 132 4.166 3.052 7.172 1.00 31.44 C ATOM 1658 C VAL B 132 2.815 3.749 7.469 1.00 32.54 C ATOM 1659 O VAL B 132 2.627 4.337 8.534 1.00 51.33 O ATOM 1660 CB VAL B 132 5.184 4.054 6.498 1.00 73.52 C ATOM 1661 CG1 VAL B 132 5.468 5.298 7.384 1.00 44.23 C ATOM 1662 CG2 VAL B 132 6.503 3.340 6.102 1.00 53.54 C ATOM 0 H VAL B 132 4.457 1.893 5.445 1.00 11.42 H new ATOM 0 HA VAL B 132 4.602 2.728 8.117 1.00 31.44 H new ATOM 0 HB VAL B 132 4.707 4.415 5.587 1.00 73.52 H new ATOM 0 HG11 VAL B 132 6.174 5.954 6.874 1.00 44.23 H new ATOM 0 HG12 VAL B 132 4.537 5.836 7.565 1.00 44.23 H new ATOM 0 HG13 VAL B 132 5.893 4.978 8.335 1.00 44.23 H new ATOM 0 HG21 VAL B 132 7.181 4.058 5.641 1.00 53.54 H new ATOM 0 HG22 VAL B 132 6.970 2.919 6.992 1.00 53.54 H new ATOM 0 HG23 VAL B 132 6.285 2.540 5.394 1.00 53.54 H new ATOM 1672 N GLY B 133 1.881 3.635 6.510 1.00 31.41 N ATOM 1673 CA GLY B 133 0.509 4.110 6.667 1.00 12.43 C ATOM 1674 C GLY B 133 0.074 4.937 5.466 1.00 31.45 C ATOM 1675 O GLY B 133 0.447 4.631 4.328 1.00 13.11 O ATOM 0 H GLY B 133 2.064 3.208 5.602 1.00 31.41 H new ATOM 0 HA2 GLY B 133 -0.162 3.259 6.789 1.00 12.43 H new ATOM 0 HA3 GLY B 133 0.430 4.710 7.573 1.00 12.43 H new ATOM 1679 N ALA B 134 -0.721 5.972 5.722 1.00 40.02 N ATOM 1680 CA ALA B 134 -1.110 6.992 4.733 1.00 61.45 C ATOM 1681 C ALA B 134 -1.389 8.290 5.489 1.00 31.51 C ATOM 1682 O ALA B 134 -1.500 8.281 6.727 1.00 43.54 O ATOM 1683 CB ALA B 134 -2.344 6.556 3.948 1.00 72.51 C ATOM 0 H ALA B 134 -1.126 6.135 6.644 1.00 40.02 H new ATOM 0 HA ALA B 134 -0.305 7.134 4.012 1.00 61.45 H new ATOM 0 HB1 ALA B 134 -2.608 7.329 3.226 1.00 72.51 H new ATOM 0 HB2 ALA B 134 -2.131 5.625 3.422 1.00 72.51 H new ATOM 0 HB3 ALA B 134 -3.176 6.402 4.635 1.00 72.51 H new ATOM 1689 N TYR B 135 -1.506 9.409 4.764 1.00 52.23 N ATOM 1690 CA TYR B 135 -1.662 10.740 5.387 1.00 40.01 C ATOM 1691 C TYR B 135 -2.741 11.554 4.666 1.00 24.02 C ATOM 1692 O TYR B 135 -2.933 11.373 3.480 1.00 3.52 O ATOM 1693 CB TYR B 135 -0.299 11.481 5.375 1.00 44.15 C ATOM 1694 CG TYR B 135 0.730 10.928 6.384 1.00 44.04 C ATOM 1695 CD1 TYR B 135 1.585 9.873 6.052 1.00 12.53 C ATOM 1696 CD2 TYR B 135 0.831 11.454 7.670 1.00 51.03 C ATOM 1697 CE1 TYR B 135 2.500 9.384 6.956 1.00 32.50 C ATOM 1698 CE2 TYR B 135 1.751 10.967 8.573 1.00 40.45 C ATOM 1699 CZ TYR B 135 2.579 9.930 8.211 1.00 3.10 C ATOM 1700 OH TYR B 135 3.499 9.444 9.103 1.00 22.25 O ATOM 0 H TYR B 135 -1.496 9.425 3.744 1.00 52.23 H new ATOM 0 HA TYR B 135 -1.983 10.616 6.421 1.00 40.01 H new ATOM 0 HB2 TYR B 135 0.125 11.423 4.372 1.00 44.15 H new ATOM 0 HB3 TYR B 135 -0.470 12.536 5.588 1.00 44.15 H new ATOM 0 HD1 TYR B 135 1.526 9.433 5.067 1.00 12.53 H new ATOM 0 HD2 TYR B 135 0.175 12.260 7.965 1.00 51.03 H new ATOM 0 HE1 TYR B 135 3.155 8.572 6.677 1.00 32.50 H new ATOM 0 HE2 TYR B 135 1.822 11.398 9.561 1.00 40.45 H new ATOM 0 HH TYR B 135 3.429 9.938 9.947 1.00 22.25 H new ATOM 1710 N PRO B 136 -3.462 12.488 5.376 1.00 23.43 N ATOM 1711 CA PRO B 136 -4.514 13.343 4.747 1.00 11.33 C ATOM 1712 C PRO B 136 -3.924 14.511 3.919 1.00 53.22 C ATOM 1713 O PRO B 136 -4.655 15.365 3.415 1.00 50.13 O ATOM 1714 CB PRO B 136 -5.302 13.850 5.976 1.00 0.11 C ATOM 1715 CG PRO B 136 -4.282 13.940 7.069 1.00 15.41 C ATOM 1716 CD PRO B 136 -3.321 12.789 6.837 1.00 75.42 C ATOM 0 HA PRO B 136 -5.124 12.802 4.024 1.00 11.33 H new ATOM 0 HB2 PRO B 136 -5.760 14.820 5.781 1.00 0.11 H new ATOM 0 HB3 PRO B 136 -6.107 13.165 6.241 1.00 0.11 H new ATOM 0 HG2 PRO B 136 -3.760 14.897 7.039 1.00 15.41 H new ATOM 0 HG3 PRO B 136 -4.752 13.865 8.049 1.00 15.41 H new ATOM 0 HD2 PRO B 136 -2.298 13.066 7.091 1.00 75.42 H new ATOM 0 HD3 PRO B 136 -3.578 11.925 7.449 1.00 75.42 H new ATOM 1724 N SER B 137 -2.590 14.521 3.798 1.00 31.42 N ATOM 1725 CA SER B 137 -1.832 15.503 3.032 1.00 11.21 C ATOM 1726 C SER B 137 -0.672 14.763 2.353 1.00 63.24 C ATOM 1727 O SER B 137 0.061 14.012 3.018 1.00 34.23 O ATOM 1728 CB SER B 137 -1.324 16.613 3.972 1.00 62.31 C ATOM 1729 OG SER B 137 -0.485 17.527 3.301 1.00 4.31 O ATOM 0 H SER B 137 -1.996 13.823 4.246 1.00 31.42 H new ATOM 0 HA SER B 137 -2.452 15.980 2.273 1.00 11.21 H new ATOM 0 HB2 SER B 137 -2.174 17.146 4.398 1.00 62.31 H new ATOM 0 HB3 SER B 137 -0.781 16.164 4.803 1.00 62.31 H new ATOM 0 HG SER B 137 -0.184 18.217 3.929 1.00 4.31 H new ATOM 1735 N TYR B 138 -0.543 14.955 1.023 1.00 71.10 N ATOM 1736 CA TYR B 138 0.474 14.276 0.194 1.00 14.11 C ATOM 1737 C TYR B 138 1.899 14.523 0.718 1.00 15.43 C ATOM 1738 O TYR B 138 2.707 13.602 0.715 1.00 23.45 O ATOM 1739 CB TYR B 138 0.352 14.705 -1.308 1.00 23.42 C ATOM 1740 CG TYR B 138 1.604 14.397 -2.167 1.00 62.21 C ATOM 1741 CD1 TYR B 138 2.017 13.083 -2.417 1.00 4.04 C ATOM 1742 CD2 TYR B 138 2.405 15.431 -2.670 1.00 12.53 C ATOM 1743 CE1 TYR B 138 3.172 12.824 -3.123 1.00 65.10 C ATOM 1744 CE2 TYR B 138 3.549 15.164 -3.390 1.00 10.23 C ATOM 1745 CZ TYR B 138 3.930 13.860 -3.606 1.00 11.33 C ATOM 1746 OH TYR B 138 5.078 13.590 -4.306 1.00 24.44 O ATOM 0 H TYR B 138 -1.143 15.587 0.493 1.00 71.10 H new ATOM 0 HA TYR B 138 0.282 13.205 0.262 1.00 14.11 H new ATOM 0 HB2 TYR B 138 -0.508 14.201 -1.748 1.00 23.42 H new ATOM 0 HB3 TYR B 138 0.151 15.775 -1.352 1.00 23.42 H new ATOM 0 HD1 TYR B 138 1.421 12.260 -2.051 1.00 4.04 H new ATOM 0 HD2 TYR B 138 2.120 16.457 -2.490 1.00 12.53 H new ATOM 0 HE1 TYR B 138 3.481 11.804 -3.296 1.00 65.10 H new ATOM 0 HE2 TYR B 138 4.144 15.975 -3.783 1.00 10.23 H new ATOM 0 HH TYR B 138 5.499 14.431 -4.580 1.00 24.44 H new ATOM 1756 N ASP B 139 2.190 15.759 1.154 1.00 11.52 N ATOM 1757 CA ASP B 139 3.558 16.149 1.563 1.00 21.42 C ATOM 1758 C ASP B 139 3.922 15.557 2.936 1.00 73.31 C ATOM 1759 O ASP B 139 5.103 15.405 3.244 1.00 52.25 O ATOM 1760 CB ASP B 139 3.737 17.688 1.545 1.00 22.12 C ATOM 1761 CG ASP B 139 5.205 18.131 1.730 1.00 61.20 C ATOM 1762 OD1 ASP B 139 6.062 17.721 0.911 1.00 2.40 O ATOM 1763 OD2 ASP B 139 5.509 18.876 2.686 1.00 32.32 O ATOM 0 H ASP B 139 1.501 16.507 1.234 1.00 11.52 H new ATOM 0 HA ASP B 139 4.250 15.732 0.832 1.00 21.42 H new ATOM 0 HB2 ASP B 139 3.362 18.080 0.600 1.00 22.12 H new ATOM 0 HB3 ASP B 139 3.129 18.127 2.336 1.00 22.12 H new ATOM 1768 N GLU B 140 2.902 15.207 3.744 1.00 1.14 N ATOM 1769 CA GLU B 140 3.101 14.472 5.013 1.00 73.03 C ATOM 1770 C GLU B 140 3.507 13.023 4.731 1.00 65.31 C ATOM 1771 O GLU B 140 4.336 12.444 5.444 1.00 2.15 O ATOM 1772 CB GLU B 140 1.810 14.499 5.861 1.00 14.35 C ATOM 1773 CG GLU B 140 1.348 15.897 6.277 1.00 62.14 C ATOM 1774 CD GLU B 140 2.337 16.626 7.201 1.00 4.11 C ATOM 1775 OE1 GLU B 140 2.247 16.453 8.436 1.00 31.25 O ATOM 1776 OE2 GLU B 140 3.206 17.379 6.703 1.00 74.22 O ATOM 0 H GLU B 140 1.926 15.422 3.540 1.00 1.14 H new ATOM 0 HA GLU B 140 3.899 14.962 5.571 1.00 73.03 H new ATOM 0 HB2 GLU B 140 1.010 14.020 5.296 1.00 14.35 H new ATOM 0 HB3 GLU B 140 1.968 13.901 6.759 1.00 14.35 H new ATOM 0 HG2 GLU B 140 1.190 16.499 5.382 1.00 62.14 H new ATOM 0 HG3 GLU B 140 0.385 15.817 6.781 1.00 62.14 H new ATOM 1783 N ALA B 141 2.893 12.449 3.683 1.00 63.31 N ATOM 1784 CA ALA B 141 3.217 11.109 3.207 1.00 32.50 C ATOM 1785 C ALA B 141 4.619 11.112 2.585 1.00 41.41 C ATOM 1786 O ALA B 141 5.462 10.274 2.907 1.00 74.01 O ATOM 1787 CB ALA B 141 2.140 10.664 2.221 1.00 74.22 C ATOM 0 H ALA B 141 2.157 12.909 3.146 1.00 63.31 H new ATOM 0 HA ALA B 141 3.232 10.395 4.030 1.00 32.50 H new ATOM 0 HB1 ALA B 141 2.371 9.663 1.857 1.00 74.22 H new ATOM 0 HB2 ALA B 141 1.171 10.654 2.720 1.00 74.22 H new ATOM 0 HB3 ALA B 141 2.108 11.357 1.380 1.00 74.22 H new ATOM 1793 N HIS B 142 4.863 12.125 1.747 1.00 34.13 N ATOM 1794 CA HIS B 142 6.158 12.367 1.116 1.00 51.13 C ATOM 1795 C HIS B 142 7.251 12.475 2.186 1.00 75.04 C ATOM 1796 O HIS B 142 8.301 11.865 2.051 1.00 54.42 O ATOM 1797 CB HIS B 142 6.098 13.647 0.243 1.00 35.30 C ATOM 1798 CG HIS B 142 7.437 14.126 -0.265 1.00 2.32 C ATOM 1799 ND1 HIS B 142 7.857 15.429 -0.141 1.00 41.31 N ATOM 1800 CD2 HIS B 142 8.450 13.465 -0.876 1.00 22.44 C ATOM 1801 CE1 HIS B 142 9.059 15.551 -0.656 1.00 61.02 C ATOM 1802 NE2 HIS B 142 9.443 14.374 -1.111 1.00 70.01 N ATOM 0 H HIS B 142 4.153 12.809 1.486 1.00 34.13 H new ATOM 0 HA HIS B 142 6.402 11.528 0.465 1.00 51.13 H new ATOM 0 HB2 HIS B 142 5.447 13.458 -0.611 1.00 35.30 H new ATOM 0 HB3 HIS B 142 5.638 14.446 0.824 1.00 35.30 H new ATOM 0 HD1 HIS B 142 7.319 16.184 0.285 1.00 41.31 H new ATOM 0 HD2 HIS B 142 8.469 12.415 -1.130 1.00 22.44 H new ATOM 0 HE1 HIS B 142 9.636 16.463 -0.700 1.00 61.02 H new ATOM 1811 N LYS B 143 6.955 13.214 3.266 1.00 33.31 N ATOM 1812 CA LYS B 143 7.904 13.438 4.358 1.00 53.10 C ATOM 1813 C LYS B 143 8.219 12.126 5.090 1.00 1.22 C ATOM 1814 O LYS B 143 9.378 11.877 5.437 1.00 25.03 O ATOM 1815 CB LYS B 143 7.351 14.475 5.366 1.00 24.52 C ATOM 1816 CG LYS B 143 8.377 14.915 6.429 1.00 21.24 C ATOM 1817 CD LYS B 143 9.584 15.668 5.817 1.00 31.13 C ATOM 1818 CE LYS B 143 9.188 17.047 5.262 1.00 4.15 C ATOM 1819 NZ LYS B 143 10.369 17.870 4.895 1.00 50.24 N ATOM 0 H LYS B 143 6.053 13.670 3.403 1.00 33.31 H new ATOM 0 HA LYS B 143 8.823 13.826 3.919 1.00 53.10 H new ATOM 0 HB2 LYS B 143 7.009 15.353 4.819 1.00 24.52 H new ATOM 0 HB3 LYS B 143 6.480 14.052 5.867 1.00 24.52 H new ATOM 0 HG2 LYS B 143 7.885 15.558 7.159 1.00 21.24 H new ATOM 0 HG3 LYS B 143 8.736 14.038 6.967 1.00 21.24 H new ATOM 0 HD2 LYS B 143 10.356 15.792 6.577 1.00 31.13 H new ATOM 0 HD3 LYS B 143 10.017 15.067 5.017 1.00 31.13 H new ATOM 0 HE2 LYS B 143 8.554 16.914 4.385 1.00 4.15 H new ATOM 0 HE3 LYS B 143 8.595 17.579 6.006 1.00 4.15 H new ATOM 0 HZ1 LYS B 143 10.051 18.789 4.527 1.00 50.24 H new ATOM 0 HZ2 LYS B 143 10.962 18.021 5.736 1.00 50.24 H new ATOM 0 HZ3 LYS B 143 10.922 17.377 4.165 1.00 50.24 H new ATOM 1833 N ALA B 144 7.171 11.297 5.294 1.00 4.52 N ATOM 1834 CA ALA B 144 7.267 10.026 6.044 1.00 31.42 C ATOM 1835 C ALA B 144 8.332 9.083 5.459 1.00 73.10 C ATOM 1836 O ALA B 144 8.982 8.359 6.203 1.00 72.43 O ATOM 1837 CB ALA B 144 5.910 9.322 6.088 1.00 14.25 C ATOM 0 H ALA B 144 6.233 11.491 4.942 1.00 4.52 H new ATOM 0 HA ALA B 144 7.574 10.279 7.059 1.00 31.42 H new ATOM 0 HB1 ALA B 144 6.002 8.389 6.644 1.00 14.25 H new ATOM 0 HB2 ALA B 144 5.181 9.967 6.579 1.00 14.25 H new ATOM 0 HB3 ALA B 144 5.578 9.108 5.072 1.00 14.25 H new ATOM 1843 N TRP B 145 8.485 9.110 4.121 1.00 32.52 N ATOM 1844 CA TRP B 145 9.506 8.321 3.390 1.00 24.34 C ATOM 1845 C TRP B 145 10.931 8.581 3.952 1.00 1.01 C ATOM 1846 O TRP B 145 11.650 7.637 4.300 1.00 12.43 O ATOM 1847 CB TRP B 145 9.389 8.635 1.852 1.00 44.51 C ATOM 1848 CG TRP B 145 10.691 8.796 1.076 1.00 20.41 C ATOM 1849 CD1 TRP B 145 11.461 7.813 0.502 1.00 2.31 C ATOM 1850 CD2 TRP B 145 11.365 10.038 0.793 1.00 15.43 C ATOM 1851 NE1 TRP B 145 12.560 8.371 -0.102 1.00 64.13 N ATOM 1852 CE2 TRP B 145 12.524 9.731 0.068 1.00 5.21 C ATOM 1853 CE3 TRP B 145 11.093 11.383 1.090 1.00 20.04 C ATOM 1854 CZ2 TRP B 145 13.405 10.716 -0.367 1.00 2.35 C ATOM 1855 CZ3 TRP B 145 11.964 12.348 0.666 1.00 15.31 C ATOM 1856 CH2 TRP B 145 13.104 12.017 -0.053 1.00 45.35 C ATOM 0 H TRP B 145 7.902 9.682 3.510 1.00 32.52 H new ATOM 0 HA TRP B 145 9.323 7.256 3.535 1.00 24.34 H new ATOM 0 HB2 TRP B 145 8.814 7.835 1.386 1.00 44.51 H new ATOM 0 HB3 TRP B 145 8.811 9.552 1.737 1.00 44.51 H new ATOM 0 HD1 TRP B 145 11.235 6.757 0.523 1.00 2.31 H new ATOM 0 HE1 TRP B 145 13.287 7.856 -0.598 1.00 64.13 H new ATOM 0 HE3 TRP B 145 10.207 11.652 1.646 1.00 20.04 H new ATOM 0 HZ2 TRP B 145 14.292 10.466 -0.930 1.00 2.35 H new ATOM 0 HZ3 TRP B 145 11.762 13.384 0.894 1.00 15.31 H new ATOM 0 HH2 TRP B 145 13.771 12.804 -0.373 1.00 45.35 H new ATOM 1867 N LYS B 146 11.313 9.868 4.042 1.00 0.55 N ATOM 1868 CA LYS B 146 12.656 10.289 4.521 1.00 10.40 C ATOM 1869 C LYS B 146 12.733 10.285 6.055 1.00 53.10 C ATOM 1870 O LYS B 146 13.808 10.063 6.619 1.00 2.33 O ATOM 1871 CB LYS B 146 12.988 11.687 3.938 1.00 22.21 C ATOM 1872 CG LYS B 146 14.316 12.333 4.395 1.00 14.10 C ATOM 1873 CD LYS B 146 14.506 13.770 3.843 1.00 33.12 C ATOM 1874 CE LYS B 146 15.834 14.398 4.295 1.00 10.31 C ATOM 1875 NZ LYS B 146 15.994 15.790 3.803 1.00 72.32 N ATOM 0 H LYS B 146 10.707 10.648 3.787 1.00 0.55 H new ATOM 0 HA LYS B 146 13.399 9.573 4.171 1.00 10.40 H new ATOM 0 HB2 LYS B 146 13.005 11.607 2.851 1.00 22.21 H new ATOM 0 HB3 LYS B 146 12.174 12.365 4.195 1.00 22.21 H new ATOM 0 HG2 LYS B 146 14.346 12.360 5.484 1.00 14.10 H new ATOM 0 HG3 LYS B 146 15.149 11.710 4.069 1.00 14.10 H new ATOM 0 HD2 LYS B 146 14.470 13.746 2.754 1.00 33.12 H new ATOM 0 HD3 LYS B 146 13.679 14.397 4.175 1.00 33.12 H new ATOM 0 HE2 LYS B 146 15.885 14.392 5.384 1.00 10.31 H new ATOM 0 HE3 LYS B 146 16.663 13.789 3.934 1.00 10.31 H new ATOM 0 HZ1 LYS B 146 16.903 16.172 4.132 1.00 72.32 H new ATOM 0 HZ2 LYS B 146 15.972 15.795 2.763 1.00 72.32 H new ATOM 0 HZ3 LYS B 146 15.218 16.379 4.168 1.00 72.32 H new ATOM 1889 N ALA B 147 11.589 10.522 6.718 1.00 75.43 N ATOM 1890 CA ALA B 147 11.476 10.471 8.192 1.00 32.34 C ATOM 1891 C ALA B 147 11.792 9.048 8.695 1.00 32.31 C ATOM 1892 O ALA B 147 12.412 8.872 9.747 1.00 3.43 O ATOM 1893 CB ALA B 147 10.073 10.923 8.636 1.00 2.34 C ATOM 0 H ALA B 147 10.713 10.755 6.250 1.00 75.43 H new ATOM 0 HA ALA B 147 12.201 11.156 8.632 1.00 32.34 H new ATOM 0 HB1 ALA B 147 10.004 10.880 9.723 1.00 2.34 H new ATOM 0 HB2 ALA B 147 9.897 11.945 8.301 1.00 2.34 H new ATOM 0 HB3 ALA B 147 9.323 10.264 8.199 1.00 2.34 H new ATOM 1899 N LYS B 148 11.385 8.049 7.890 1.00 43.24 N ATOM 1900 CA LYS B 148 11.656 6.627 8.139 1.00 45.23 C ATOM 1901 C LYS B 148 13.064 6.249 7.658 1.00 44.43 C ATOM 1902 O LYS B 148 13.788 5.575 8.375 1.00 34.11 O ATOM 1903 CB LYS B 148 10.590 5.756 7.427 1.00 13.21 C ATOM 1904 CG LYS B 148 9.170 5.878 8.018 1.00 72.44 C ATOM 1905 CD LYS B 148 9.043 5.282 9.433 1.00 30.50 C ATOM 1906 CE LYS B 148 9.279 3.771 9.445 1.00 33.44 C ATOM 1907 NZ LYS B 148 8.945 3.167 10.763 1.00 4.24 N ATOM 0 H LYS B 148 10.851 8.213 7.037 1.00 43.24 H new ATOM 0 HA LYS B 148 11.605 6.445 9.212 1.00 45.23 H new ATOM 0 HB2 LYS B 148 10.557 6.033 6.373 1.00 13.21 H new ATOM 0 HB3 LYS B 148 10.901 4.712 7.473 1.00 13.21 H new ATOM 0 HG2 LYS B 148 8.886 6.930 8.048 1.00 72.44 H new ATOM 0 HG3 LYS B 148 8.464 5.376 7.356 1.00 72.44 H new ATOM 0 HD2 LYS B 148 9.761 5.766 10.095 1.00 30.50 H new ATOM 0 HD3 LYS B 148 8.050 5.496 9.828 1.00 30.50 H new ATOM 0 HE2 LYS B 148 8.675 3.303 8.668 1.00 33.44 H new ATOM 0 HE3 LYS B 148 10.322 3.565 9.205 1.00 33.44 H new ATOM 0 HZ1 LYS B 148 8.805 2.143 10.650 1.00 4.24 H new ATOM 0 HZ2 LYS B 148 9.724 3.338 11.431 1.00 4.24 H new ATOM 0 HZ3 LYS B 148 8.072 3.597 11.131 1.00 4.24 H new ATOM 1921 N ALA B 149 13.439 6.701 6.444 1.00 54.45 N ATOM 1922 CA ALA B 149 14.734 6.349 5.808 1.00 43.44 C ATOM 1923 C ALA B 149 15.937 6.790 6.673 1.00 41.05 C ATOM 1924 O ALA B 149 16.906 6.039 6.841 1.00 20.33 O ATOM 1925 CB ALA B 149 14.815 6.959 4.399 1.00 21.25 C ATOM 0 H ALA B 149 12.859 7.318 5.876 1.00 54.45 H new ATOM 0 HA ALA B 149 14.783 5.263 5.724 1.00 43.44 H new ATOM 0 HB1 ALA B 149 15.769 6.694 3.942 1.00 21.25 H new ATOM 0 HB2 ALA B 149 14.000 6.572 3.787 1.00 21.25 H new ATOM 0 HB3 ALA B 149 14.734 8.044 4.467 1.00 21.25 H new ATOM 1931 N GLN B 150 15.839 8.013 7.223 1.00 71.03 N ATOM 1932 CA GLN B 150 16.831 8.567 8.164 1.00 50.32 C ATOM 1933 C GLN B 150 16.827 7.788 9.488 1.00 41.14 C ATOM 1934 O GLN B 150 17.888 7.482 10.036 1.00 33.04 O ATOM 1935 CB GLN B 150 16.532 10.070 8.447 1.00 40.02 C ATOM 1936 CG GLN B 150 16.798 11.025 7.267 1.00 14.40 C ATOM 1937 CD GLN B 150 16.464 12.493 7.580 1.00 2.12 C ATOM 1938 OE1 GLN B 150 17.156 13.402 7.123 1.00 44.15 O ATOM 1939 NE2 GLN B 150 15.367 12.741 8.297 1.00 33.02 N ATOM 0 H GLN B 150 15.066 8.649 7.027 1.00 71.03 H new ATOM 0 HA GLN B 150 17.815 8.474 7.704 1.00 50.32 H new ATOM 0 HB2 GLN B 150 15.488 10.167 8.744 1.00 40.02 H new ATOM 0 HB3 GLN B 150 17.136 10.390 9.296 1.00 40.02 H new ATOM 0 HG2 GLN B 150 17.847 10.952 6.980 1.00 14.40 H new ATOM 0 HG3 GLN B 150 16.210 10.702 6.408 1.00 14.40 H new ATOM 0 HE21 GLN B 150 14.812 11.968 8.664 1.00 33.02 H new ATOM 0 HE22 GLN B 150 15.083 13.704 8.478 1.00 33.02 H new ATOM 1948 N ALA B 151 15.617 7.489 9.990 1.00 43.01 N ATOM 1949 CA ALA B 151 15.423 6.875 11.321 1.00 72.04 C ATOM 1950 C ALA B 151 15.905 5.408 11.355 1.00 44.03 C ATOM 1951 O ALA B 151 16.467 4.953 12.360 1.00 70.11 O ATOM 1952 CB ALA B 151 13.946 6.982 11.739 1.00 50.24 C ATOM 0 H ALA B 151 14.746 7.664 9.489 1.00 43.01 H new ATOM 0 HA ALA B 151 16.033 7.424 12.038 1.00 72.04 H new ATOM 0 HB1 ALA B 151 13.812 6.527 12.721 1.00 50.24 H new ATOM 0 HB2 ALA B 151 13.655 8.032 11.782 1.00 50.24 H new ATOM 0 HB3 ALA B 151 13.323 6.463 11.010 1.00 50.24 H new ATOM 1958 N THR B 152 15.706 4.695 10.239 1.00 15.14 N ATOM 1959 CA THR B 152 15.981 3.256 10.134 1.00 64.02 C ATOM 1960 C THR B 152 17.306 3.036 9.388 1.00 3.35 C ATOM 1961 O THR B 152 17.362 3.055 8.153 1.00 75.13 O ATOM 1962 CB THR B 152 14.806 2.513 9.413 1.00 65.14 C ATOM 1963 OG1 THR B 152 14.649 3.016 8.073 1.00 71.31 O ATOM 1964 CG2 THR B 152 13.475 2.678 10.166 1.00 1.25 C ATOM 0 H THR B 152 15.347 5.104 9.376 1.00 15.14 H new ATOM 0 HA THR B 152 16.067 2.840 11.138 1.00 64.02 H new ATOM 0 HB THR B 152 15.061 1.453 9.391 1.00 65.14 H new ATOM 0 HG1 THR B 152 14.246 3.909 8.104 1.00 71.31 H new ATOM 0 HG21 THR B 152 12.687 2.147 9.632 1.00 1.25 H new ATOM 0 HG22 THR B 152 13.572 2.268 11.171 1.00 1.25 H new ATOM 0 HG23 THR B 152 13.221 3.736 10.229 1.00 1.25 H new ATOM 1972 N VAL B 153 18.392 2.912 10.159 1.00 61.50 N ATOM 1973 CA VAL B 153 19.745 2.641 9.620 1.00 13.43 C ATOM 1974 C VAL B 153 20.207 1.232 10.059 1.00 22.52 C ATOM 1975 O VAL B 153 21.144 0.661 9.491 1.00 62.41 O ATOM 1976 CB VAL B 153 20.777 3.746 10.102 1.00 41.42 C ATOM 1977 CG1 VAL B 153 22.128 3.651 9.348 1.00 24.32 C ATOM 1978 CG2 VAL B 153 20.176 5.169 9.970 1.00 14.44 C ATOM 0 H VAL B 153 18.366 2.995 11.175 1.00 61.50 H new ATOM 0 HA VAL B 153 19.704 2.677 8.531 1.00 13.43 H new ATOM 0 HB VAL B 153 20.977 3.553 11.156 1.00 41.42 H new ATOM 0 HG11 VAL B 153 22.803 4.427 9.711 1.00 24.32 H new ATOM 0 HG12 VAL B 153 22.574 2.672 9.522 1.00 24.32 H new ATOM 0 HG13 VAL B 153 21.959 3.788 8.280 1.00 24.32 H new ATOM 0 HG21 VAL B 153 20.906 5.905 10.308 1.00 14.44 H new ATOM 0 HG22 VAL B 153 19.922 5.361 8.928 1.00 14.44 H new ATOM 0 HG23 VAL B 153 19.277 5.242 10.582 1.00 14.44 H new ATOM 1988 N ASP B 154 19.506 0.668 11.061 1.00 31.23 N ATOM 1989 CA ASP B 154 19.901 -0.580 11.739 1.00 33.13 C ATOM 1990 C ASP B 154 18.867 -1.707 11.547 1.00 62.51 C ATOM 1991 O ASP B 154 19.090 -2.829 12.024 1.00 51.31 O ATOM 1992 CB ASP B 154 20.109 -0.296 13.245 1.00 64.51 C ATOM 1993 CG ASP B 154 21.262 0.693 13.524 1.00 15.31 C ATOM 1994 OD1 ASP B 154 22.434 0.256 13.607 1.00 65.11 O ATOM 1995 OD2 ASP B 154 21.003 1.911 13.654 1.00 21.52 O ATOM 0 H ASP B 154 18.642 1.070 11.425 1.00 31.23 H new ATOM 0 HA ASP B 154 20.831 -0.926 11.289 1.00 33.13 H new ATOM 0 HB2 ASP B 154 19.186 0.105 13.663 1.00 64.51 H new ATOM 0 HB3 ASP B 154 20.311 -1.235 13.761 1.00 64.51 H new ATOM 2000 N ASN B 155 17.744 -1.417 10.853 1.00 71.12 N ATOM 2001 CA ASN B 155 16.659 -2.385 10.622 1.00 1.23 C ATOM 2002 C ASN B 155 16.991 -3.286 9.402 1.00 30.41 C ATOM 2003 O ASN B 155 16.391 -3.149 8.327 1.00 43.40 O ATOM 2004 CB ASN B 155 15.308 -1.632 10.432 1.00 15.52 C ATOM 2005 CG ASN B 155 14.079 -2.546 10.531 1.00 34.24 C ATOM 2006 OD1 ASN B 155 13.746 -3.218 9.450 1.00 22.11 O flip ATOM 2007 ND2 ASN B 155 13.451 -2.667 11.582 1.00 52.20 N flip ATOM 0 H ASN B 155 17.568 -0.502 10.438 1.00 71.12 H new ATOM 0 HA ASN B 155 16.562 -3.034 11.492 1.00 1.23 H new ATOM 0 HB2 ASN B 155 15.229 -0.848 11.185 1.00 15.52 H new ATOM 0 HB3 ASN B 155 15.308 -1.141 9.459 1.00 15.52 H new ATOM 0 HD21 ASN B 155 13.729 -2.135 12.406 1.00 52.20 H new ATOM 0 HD22 ASN B 155 12.652 -3.300 11.629 1.00 52.20 H new ATOM 2014 N ALA B 156 18.006 -4.142 9.590 1.00 72.13 N ATOM 2015 CA ALA B 156 18.418 -5.211 8.654 1.00 75.22 C ATOM 2016 C ALA B 156 18.651 -4.726 7.192 1.00 53.42 C ATOM 2017 O ALA B 156 19.760 -4.308 6.844 1.00 61.23 O ATOM 2018 CB ALA B 156 17.427 -6.396 8.724 1.00 64.32 C ATOM 0 H ALA B 156 18.587 -4.112 10.428 1.00 72.13 H new ATOM 0 HA ALA B 156 19.399 -5.552 8.986 1.00 75.22 H new ATOM 0 HB1 ALA B 156 17.742 -7.175 8.030 1.00 64.32 H new ATOM 0 HB2 ALA B 156 17.411 -6.797 9.737 1.00 64.32 H new ATOM 0 HB3 ALA B 156 16.429 -6.052 8.454 1.00 64.32 H new ATOM 2024 N HIS B 157 17.582 -4.770 6.354 1.00 30.41 N ATOM 2025 CA HIS B 157 17.658 -4.506 4.890 1.00 11.52 C ATOM 2026 C HIS B 157 16.478 -3.612 4.441 1.00 0.00 C ATOM 2027 O HIS B 157 16.112 -3.607 3.261 1.00 35.24 O ATOM 2028 CB HIS B 157 17.619 -5.857 4.107 1.00 53.35 C ATOM 2029 CG HIS B 157 18.668 -6.852 4.521 1.00 25.33 C ATOM 2030 ND1 HIS B 157 18.413 -7.887 5.399 1.00 3.20 N ATOM 2031 CD2 HIS B 157 19.978 -6.950 4.200 1.00 11.31 C ATOM 2032 CE1 HIS B 157 19.515 -8.574 5.594 1.00 40.42 C ATOM 2033 NE2 HIS B 157 20.482 -8.027 4.885 1.00 55.22 N ATOM 0 H HIS B 157 16.639 -4.990 6.675 1.00 30.41 H new ATOM 0 HA HIS B 157 18.593 -3.988 4.677 1.00 11.52 H new ATOM 0 HB2 HIS B 157 16.636 -6.309 4.238 1.00 53.35 H new ATOM 0 HB3 HIS B 157 17.734 -5.649 3.043 1.00 53.35 H new ATOM 0 HD1 HIS B 157 17.510 -8.087 5.829 1.00 3.20 H new ATOM 0 HD2 HIS B 157 20.525 -6.302 3.530 1.00 11.31 H new ATOM 0 HE1 HIS B 157 19.613 -9.442 6.229 1.00 40.42 H new ATOM 2042 N ALA B 158 15.910 -2.836 5.385 1.00 24.21 N ATOM 2043 CA ALA B 158 14.659 -2.080 5.161 1.00 75.43 C ATOM 2044 C ALA B 158 14.901 -0.753 4.427 1.00 41.12 C ATOM 2045 O ALA B 158 15.802 0.015 4.781 1.00 72.04 O ATOM 2046 CB ALA B 158 13.921 -1.830 6.488 1.00 33.44 C ATOM 0 H ALA B 158 16.301 -2.715 6.319 1.00 24.21 H new ATOM 0 HA ALA B 158 14.031 -2.698 4.519 1.00 75.43 H new ATOM 0 HB1 ALA B 158 13.005 -1.272 6.295 1.00 33.44 H new ATOM 0 HB2 ALA B 158 13.674 -2.785 6.952 1.00 33.44 H new ATOM 0 HB3 ALA B 158 14.561 -1.256 7.158 1.00 33.44 H new ATOM 2052 N ARG B 159 14.076 -0.511 3.399 1.00 61.05 N ATOM 2053 CA ARG B 159 14.006 0.752 2.670 1.00 2.21 C ATOM 2054 C ARG B 159 12.525 1.104 2.487 1.00 32.34 C ATOM 2055 O ARG B 159 11.720 0.249 2.090 1.00 25.04 O ATOM 2056 CB ARG B 159 14.731 0.626 1.306 1.00 70.53 C ATOM 2057 CG ARG B 159 14.610 1.852 0.373 1.00 3.40 C ATOM 2058 CD ARG B 159 15.140 3.143 1.000 1.00 23.14 C ATOM 2059 NE ARG B 159 14.942 4.314 0.116 1.00 31.43 N ATOM 2060 CZ ARG B 159 15.623 5.471 0.196 1.00 4.23 C ATOM 2061 NH1 ARG B 159 16.546 5.652 1.139 1.00 54.25 N ATOM 2062 NH2 ARG B 159 15.381 6.444 -0.669 1.00 22.34 N ATOM 0 H ARG B 159 13.423 -1.211 3.046 1.00 61.05 H new ATOM 0 HA ARG B 159 14.505 1.547 3.224 1.00 2.21 H new ATOM 0 HB2 ARG B 159 15.788 0.436 1.492 1.00 70.53 H new ATOM 0 HB3 ARG B 159 14.337 -0.246 0.784 1.00 70.53 H new ATOM 0 HG2 ARG B 159 15.156 1.653 -0.549 1.00 3.40 H new ATOM 0 HG3 ARG B 159 13.564 1.991 0.101 1.00 3.40 H new ATOM 0 HD2 ARG B 159 14.636 3.317 1.950 1.00 23.14 H new ATOM 0 HD3 ARG B 159 16.202 3.030 1.219 1.00 23.14 H new ATOM 0 HE ARG B 159 14.232 4.237 -0.612 1.00 31.43 H new ATOM 0 HH11 ARG B 159 16.742 4.909 1.810 1.00 54.25 H new ATOM 0 HH12 ARG B 159 17.057 6.534 1.190 1.00 54.25 H new ATOM 0 HH21 ARG B 159 14.678 6.316 -1.397 1.00 22.34 H new ATOM 0 HH22 ARG B 159 15.898 7.321 -0.608 1.00 22.34 H new ATOM 2076 N TYR B 160 12.174 2.356 2.813 1.00 22.34 N ATOM 2077 CA TYR B 160 10.794 2.845 2.790 1.00 31.05 C ATOM 2078 C TYR B 160 10.586 3.755 1.590 1.00 3.14 C ATOM 2079 O TYR B 160 11.307 4.734 1.409 1.00 11.53 O ATOM 2080 CB TYR B 160 10.470 3.562 4.120 1.00 73.13 C ATOM 2081 CG TYR B 160 10.688 2.631 5.323 1.00 55.43 C ATOM 2082 CD1 TYR B 160 11.923 2.554 5.957 1.00 45.01 C ATOM 2083 CD2 TYR B 160 9.677 1.780 5.776 1.00 33.03 C ATOM 2084 CE1 TYR B 160 12.138 1.675 6.985 1.00 11.32 C ATOM 2085 CE2 TYR B 160 9.895 0.908 6.818 1.00 3.15 C ATOM 2086 CZ TYR B 160 11.129 0.860 7.415 1.00 70.53 C ATOM 2087 OH TYR B 160 11.367 -0.008 8.448 1.00 32.20 O ATOM 0 H TYR B 160 12.850 3.063 3.103 1.00 22.34 H new ATOM 0 HA TYR B 160 10.107 2.005 2.690 1.00 31.05 H new ATOM 0 HB2 TYR B 160 11.100 4.446 4.222 1.00 73.13 H new ATOM 0 HB3 TYR B 160 9.436 3.907 4.107 1.00 73.13 H new ATOM 0 HD1 TYR B 160 12.727 3.199 5.633 1.00 45.01 H new ATOM 0 HD2 TYR B 160 8.708 1.807 5.300 1.00 33.03 H new ATOM 0 HE1 TYR B 160 13.108 1.626 7.457 1.00 11.32 H new ATOM 0 HE2 TYR B 160 9.099 0.265 7.164 1.00 3.15 H new ATOM 0 HH TYR B 160 10.585 -0.037 9.038 1.00 32.20 H new ATOM 2097 N PHE B 161 9.608 3.374 0.772 1.00 73.11 N ATOM 2098 CA PHE B 161 9.244 4.054 -0.469 1.00 62.04 C ATOM 2099 C PHE B 161 7.892 4.770 -0.289 1.00 10.35 C ATOM 2100 O PHE B 161 7.363 4.880 0.829 1.00 34.11 O ATOM 2101 CB PHE B 161 9.139 2.999 -1.602 1.00 1.44 C ATOM 2102 CG PHE B 161 10.398 2.148 -1.811 1.00 31.11 C ATOM 2103 CD1 PHE B 161 11.439 2.610 -2.609 1.00 73.24 C ATOM 2104 CD2 PHE B 161 10.535 0.890 -1.216 1.00 62.32 C ATOM 2105 CE1 PHE B 161 12.578 1.855 -2.809 1.00 73.02 C ATOM 2106 CE2 PHE B 161 11.674 0.134 -1.416 1.00 4.50 C ATOM 2107 CZ PHE B 161 12.695 0.617 -2.214 1.00 14.12 C ATOM 0 H PHE B 161 9.028 2.557 0.961 1.00 73.11 H new ATOM 0 HA PHE B 161 10.002 4.794 -0.726 1.00 62.04 H new ATOM 0 HB2 PHE B 161 8.302 2.336 -1.384 1.00 1.44 H new ATOM 0 HB3 PHE B 161 8.906 3.511 -2.535 1.00 1.44 H new ATOM 0 HD1 PHE B 161 11.355 3.578 -3.081 1.00 73.24 H new ATOM 0 HD2 PHE B 161 9.741 0.505 -0.593 1.00 62.32 H new ATOM 0 HE1 PHE B 161 13.376 2.234 -3.431 1.00 73.02 H new ATOM 0 HE2 PHE B 161 11.767 -0.835 -0.949 1.00 4.50 H new ATOM 0 HZ PHE B 161 13.584 0.024 -2.371 1.00 14.12 H new ATOM 2117 N ILE B 162 7.344 5.270 -1.405 1.00 14.45 N ATOM 2118 CA ILE B 162 5.969 5.792 -1.475 1.00 54.00 C ATOM 2119 C ILE B 162 5.269 5.097 -2.658 1.00 54.04 C ATOM 2120 O ILE B 162 5.932 4.724 -3.627 1.00 63.42 O ATOM 2121 CB ILE B 162 5.943 7.362 -1.697 1.00 41.53 C ATOM 2122 CG1 ILE B 162 7.013 8.091 -0.827 1.00 64.14 C ATOM 2123 CG2 ILE B 162 4.542 7.928 -1.392 1.00 44.43 C ATOM 2124 CD1 ILE B 162 7.133 9.582 -1.095 1.00 21.04 C ATOM 0 H ILE B 162 7.845 5.325 -2.292 1.00 14.45 H new ATOM 0 HA ILE B 162 5.461 5.590 -0.532 1.00 54.00 H new ATOM 0 HB ILE B 162 6.184 7.544 -2.744 1.00 41.53 H new ATOM 0 HG12 ILE B 162 6.770 7.942 0.225 1.00 64.14 H new ATOM 0 HG13 ILE B 162 7.983 7.624 -1.000 1.00 64.14 H new ATOM 0 HG21 ILE B 162 4.543 9.007 -1.550 1.00 44.43 H new ATOM 0 HG22 ILE B 162 3.810 7.465 -2.054 1.00 44.43 H new ATOM 0 HG23 ILE B 162 4.280 7.713 -0.356 1.00 44.43 H new ATOM 0 HD11 ILE B 162 7.899 10.008 -0.447 1.00 21.04 H new ATOM 0 HD12 ILE B 162 7.409 9.743 -2.137 1.00 21.04 H new ATOM 0 HD13 ILE B 162 6.177 10.066 -0.893 1.00 21.04 H new ATOM 2136 N ILE B 163 3.946 4.886 -2.574 1.00 73.11 N ATOM 2137 CA ILE B 163 3.131 4.427 -3.722 1.00 73.52 C ATOM 2138 C ILE B 163 1.926 5.360 -3.878 1.00 44.32 C ATOM 2139 O ILE B 163 1.357 5.808 -2.888 1.00 23.12 O ATOM 2140 CB ILE B 163 2.593 2.953 -3.559 1.00 25.32 C ATOM 2141 CG1 ILE B 163 3.746 1.933 -3.355 1.00 70.31 C ATOM 2142 CG2 ILE B 163 1.737 2.548 -4.786 1.00 4.01 C ATOM 2143 CD1 ILE B 163 3.288 0.487 -3.206 1.00 14.52 C ATOM 0 H ILE B 163 3.410 5.026 -1.718 1.00 73.11 H new ATOM 0 HA ILE B 163 3.781 4.444 -4.597 1.00 73.52 H new ATOM 0 HB ILE B 163 1.971 2.934 -2.664 1.00 25.32 H new ATOM 0 HG12 ILE B 163 4.428 2.000 -4.203 1.00 70.31 H new ATOM 0 HG13 ILE B 163 4.312 2.215 -2.467 1.00 70.31 H new ATOM 0 HG21 ILE B 163 1.374 1.528 -4.656 1.00 4.01 H new ATOM 0 HG22 ILE B 163 0.888 3.226 -4.877 1.00 4.01 H new ATOM 0 HG23 ILE B 163 2.345 2.604 -5.689 1.00 4.01 H new ATOM 0 HD11 ILE B 163 4.156 -0.157 -3.068 1.00 14.52 H new ATOM 0 HD12 ILE B 163 2.631 0.401 -2.341 1.00 14.52 H new ATOM 0 HD13 ILE B 163 2.749 0.182 -4.103 1.00 14.52 H new ATOM 2155 N HIS B 164 1.535 5.620 -5.135 1.00 13.04 N ATOM 2156 CA HIS B 164 0.322 6.380 -5.452 1.00 73.30 C ATOM 2157 C HIS B 164 -0.929 5.511 -5.218 1.00 41.34 C ATOM 2158 O HIS B 164 -1.150 4.503 -5.905 1.00 63.22 O ATOM 2159 CB HIS B 164 0.363 6.930 -6.901 1.00 41.03 C ATOM 2160 CG HIS B 164 0.414 5.903 -8.010 1.00 24.54 C ATOM 2161 ND1 HIS B 164 -0.547 5.825 -8.995 1.00 34.14 N ATOM 2162 CD2 HIS B 164 1.321 4.939 -8.304 1.00 73.53 C ATOM 2163 CE1 HIS B 164 -0.234 4.868 -9.837 1.00 53.10 C ATOM 2164 NE2 HIS B 164 0.898 4.313 -9.449 1.00 63.20 N ATOM 0 H HIS B 164 2.052 5.309 -5.957 1.00 13.04 H new ATOM 0 HA HIS B 164 0.272 7.239 -4.783 1.00 73.30 H new ATOM 0 HB2 HIS B 164 -0.517 7.554 -7.054 1.00 41.03 H new ATOM 0 HB3 HIS B 164 1.234 7.578 -6.996 1.00 41.03 H new ATOM 0 HD1 HIS B 164 -1.374 6.419 -9.060 1.00 34.14 H new ATOM 0 HD2 HIS B 164 2.213 4.707 -7.740 1.00 73.53 H new ATOM 0 HE1 HIS B 164 -0.809 4.582 -10.705 1.00 53.10 H new ATOM 2173 N ALA B 165 -1.716 5.888 -4.209 1.00 74.04 N ATOM 2174 CA ALA B 165 -3.019 5.273 -3.932 1.00 73.32 C ATOM 2175 C ALA B 165 -4.105 6.152 -4.536 1.00 53.13 C ATOM 2176 O ALA B 165 -4.672 7.027 -3.879 1.00 1.05 O ATOM 2177 CB ALA B 165 -3.215 5.106 -2.439 1.00 14.53 C ATOM 0 H ALA B 165 -1.468 6.632 -3.557 1.00 74.04 H new ATOM 0 HA ALA B 165 -3.070 4.280 -4.380 1.00 73.32 H new ATOM 0 HB1 ALA B 165 -4.186 4.649 -2.248 1.00 14.53 H new ATOM 0 HB2 ALA B 165 -2.428 4.467 -2.038 1.00 14.53 H new ATOM 0 HB3 ALA B 165 -3.172 6.082 -1.955 1.00 14.53 H new ATOM 2183 N HIS B 166 -4.326 5.941 -5.822 1.00 1.01 N ATOM 2184 CA HIS B 166 -5.239 6.754 -6.624 1.00 64.24 C ATOM 2185 C HIS B 166 -5.853 5.849 -7.678 1.00 35.22 C ATOM 2186 O HIS B 166 -7.067 5.870 -7.908 1.00 22.52 O ATOM 2187 CB HIS B 166 -4.476 7.937 -7.268 1.00 71.30 C ATOM 2188 CG HIS B 166 -5.361 9.041 -7.785 1.00 50.42 C ATOM 2189 ND1 HIS B 166 -5.544 10.228 -7.110 1.00 14.32 N ATOM 2190 CD2 HIS B 166 -6.108 9.137 -8.912 1.00 71.43 C ATOM 2191 CE1 HIS B 166 -6.357 10.997 -7.795 1.00 52.34 C ATOM 2192 NE2 HIS B 166 -6.714 10.362 -8.889 1.00 52.31 N ATOM 0 H HIS B 166 -3.874 5.194 -6.349 1.00 1.01 H new ATOM 0 HA HIS B 166 -6.027 7.182 -6.004 1.00 64.24 H new ATOM 0 HB2 HIS B 166 -3.788 8.354 -6.532 1.00 71.30 H new ATOM 0 HB3 HIS B 166 -3.870 7.558 -8.091 1.00 71.30 H new ATOM 0 HD1 HIS B 166 -5.115 10.471 -6.217 1.00 14.32 H new ATOM 0 HD2 HIS B 166 -6.206 8.387 -9.683 1.00 71.43 H new ATOM 0 HE1 HIS B 166 -6.679 11.987 -7.508 1.00 52.34 H new ATOM 2201 N LYS B 167 -4.975 5.057 -8.326 1.00 74.42 N ATOM 2202 CA LYS B 167 -5.388 3.971 -9.202 1.00 1.32 C ATOM 2203 C LYS B 167 -5.367 2.661 -8.405 1.00 63.44 C ATOM 2204 O LYS B 167 -4.302 2.070 -8.174 1.00 21.50 O ATOM 2205 CB LYS B 167 -4.494 3.859 -10.474 1.00 61.34 C ATOM 2206 CG LYS B 167 -4.938 2.715 -11.423 1.00 33.03 C ATOM 2207 CD LYS B 167 -6.411 2.875 -11.906 1.00 72.24 C ATOM 2208 CE LYS B 167 -7.083 1.542 -12.239 1.00 23.25 C ATOM 2209 NZ LYS B 167 -6.371 0.791 -13.287 1.00 71.50 N ATOM 0 H LYS B 167 -3.963 5.162 -8.249 1.00 74.42 H new ATOM 0 HA LYS B 167 -6.398 4.179 -9.556 1.00 1.32 H new ATOM 0 HB2 LYS B 167 -4.521 4.805 -11.015 1.00 61.34 H new ATOM 0 HB3 LYS B 167 -3.460 3.693 -10.172 1.00 61.34 H new ATOM 0 HG2 LYS B 167 -4.276 2.689 -12.289 1.00 33.03 H new ATOM 0 HG3 LYS B 167 -4.829 1.759 -10.910 1.00 33.03 H new ATOM 0 HD2 LYS B 167 -6.987 3.382 -11.132 1.00 72.24 H new ATOM 0 HD3 LYS B 167 -6.430 3.515 -12.788 1.00 72.24 H new ATOM 0 HE2 LYS B 167 -7.139 0.933 -11.337 1.00 23.25 H new ATOM 0 HE3 LYS B 167 -8.107 1.727 -12.563 1.00 23.25 H new ATOM 0 HZ1 LYS B 167 -6.888 -0.087 -13.497 1.00 71.50 H new ATOM 0 HZ2 LYS B 167 -6.309 1.371 -14.148 1.00 71.50 H new ATOM 0 HZ3 LYS B 167 -5.413 0.558 -12.957 1.00 71.50 H new ATOM 2223 N LEU B 168 -6.546 2.279 -7.919 1.00 25.24 N ATOM 2224 CA LEU B 168 -6.784 0.989 -7.301 1.00 11.30 C ATOM 2225 C LEU B 168 -7.038 -0.044 -8.410 1.00 34.30 C ATOM 2226 O LEU B 168 -7.956 0.128 -9.227 1.00 13.14 O ATOM 2227 CB LEU B 168 -8.004 1.099 -6.352 1.00 12.23 C ATOM 2228 CG LEU B 168 -7.784 1.828 -4.978 1.00 51.31 C ATOM 2229 CD1 LEU B 168 -6.841 1.024 -4.050 1.00 4.30 C ATOM 2230 CD2 LEU B 168 -7.289 3.295 -5.138 1.00 21.21 C ATOM 0 H LEU B 168 -7.375 2.873 -7.947 1.00 25.24 H new ATOM 0 HA LEU B 168 -5.921 0.673 -6.715 1.00 11.30 H new ATOM 0 HB2 LEU B 168 -8.801 1.618 -6.885 1.00 12.23 H new ATOM 0 HB3 LEU B 168 -8.363 0.091 -6.145 1.00 12.23 H new ATOM 0 HG LEU B 168 -8.765 1.879 -4.507 1.00 51.31 H new ATOM 0 HD11 LEU B 168 -6.713 1.560 -3.109 1.00 4.30 H new ATOM 0 HD12 LEU B 168 -7.274 0.043 -3.853 1.00 4.30 H new ATOM 0 HD13 LEU B 168 -5.872 0.902 -4.533 1.00 4.30 H new ATOM 0 HD21 LEU B 168 -7.156 3.744 -4.154 1.00 21.21 H new ATOM 0 HD22 LEU B 168 -6.338 3.302 -5.671 1.00 21.21 H new ATOM 0 HD23 LEU B 168 -8.025 3.868 -5.701 1.00 21.21 H new ATOM 2242 N LEU B 169 -6.204 -1.088 -8.433 1.00 1.50 N ATOM 2243 CA LEU B 169 -6.282 -2.183 -9.406 1.00 64.24 C ATOM 2244 C LEU B 169 -7.492 -3.059 -9.085 1.00 2.32 C ATOM 2245 O LEU B 169 -7.443 -3.901 -8.176 1.00 42.23 O ATOM 2246 CB LEU B 169 -4.976 -3.019 -9.376 1.00 2.22 C ATOM 2247 CG LEU B 169 -3.655 -2.222 -9.596 1.00 30.13 C ATOM 2248 CD1 LEU B 169 -2.434 -3.159 -9.503 1.00 15.31 C ATOM 2249 CD2 LEU B 169 -3.673 -1.435 -10.931 1.00 1.13 C ATOM 0 H LEU B 169 -5.442 -1.198 -7.764 1.00 1.50 H new ATOM 0 HA LEU B 169 -6.398 -1.772 -10.409 1.00 64.24 H new ATOM 0 HB2 LEU B 169 -4.915 -3.528 -8.414 1.00 2.22 H new ATOM 0 HB3 LEU B 169 -5.044 -3.792 -10.142 1.00 2.22 H new ATOM 0 HG LEU B 169 -3.574 -1.483 -8.799 1.00 30.13 H new ATOM 0 HD11 LEU B 169 -1.521 -2.584 -9.659 1.00 15.31 H new ATOM 0 HD12 LEU B 169 -2.406 -3.623 -8.517 1.00 15.31 H new ATOM 0 HD13 LEU B 169 -2.510 -3.933 -10.267 1.00 15.31 H new ATOM 0 HD21 LEU B 169 -2.734 -0.893 -11.047 1.00 1.13 H new ATOM 0 HD22 LEU B 169 -3.795 -2.130 -11.762 1.00 1.13 H new ATOM 0 HD23 LEU B 169 -4.502 -0.727 -10.925 1.00 1.13 H new ATOM 2261 N ASP B 170 -8.592 -2.789 -9.786 1.00 64.50 N ATOM 2262 CA ASP B 170 -9.849 -3.532 -9.639 1.00 55.40 C ATOM 2263 C ASP B 170 -9.933 -4.648 -10.707 1.00 73.44 C ATOM 2264 O ASP B 170 -9.962 -4.360 -11.895 1.00 41.02 O ATOM 2265 CB ASP B 170 -11.058 -2.573 -9.741 1.00 53.51 C ATOM 2266 CG ASP B 170 -12.422 -3.297 -9.808 1.00 20.32 C ATOM 2267 OD1 ASP B 170 -12.713 -4.143 -8.932 1.00 14.24 O ATOM 2268 OD2 ASP B 170 -13.187 -3.042 -10.760 1.00 43.31 O ATOM 0 H ASP B 170 -8.639 -2.042 -10.479 1.00 64.50 H new ATOM 0 HA ASP B 170 -9.873 -3.998 -8.654 1.00 55.40 H new ATOM 0 HB2 ASP B 170 -11.054 -1.904 -8.880 1.00 53.51 H new ATOM 0 HB3 ASP B 170 -10.943 -1.951 -10.629 1.00 53.51 H new ATOM 2273 N PRO B 171 -9.951 -5.945 -10.282 1.00 1.10 N ATOM 2274 CA PRO B 171 -10.051 -7.128 -11.196 1.00 25.05 C ATOM 2275 C PRO B 171 -11.356 -7.220 -12.020 1.00 40.31 C ATOM 2276 O PRO B 171 -11.452 -8.068 -12.912 1.00 15.42 O ATOM 2277 CB PRO B 171 -9.921 -8.329 -10.225 1.00 60.42 C ATOM 2278 CG PRO B 171 -9.234 -7.758 -9.030 1.00 25.52 C ATOM 2279 CD PRO B 171 -9.799 -6.381 -8.874 1.00 43.44 C ATOM 0 HA PRO B 171 -9.287 -7.079 -11.972 1.00 25.05 H new ATOM 0 HB2 PRO B 171 -10.897 -8.739 -9.966 1.00 60.42 H new ATOM 0 HB3 PRO B 171 -9.342 -9.139 -10.668 1.00 60.42 H new ATOM 0 HG2 PRO B 171 -9.420 -8.363 -8.142 1.00 25.52 H new ATOM 0 HG3 PRO B 171 -8.154 -7.727 -9.174 1.00 25.52 H new ATOM 0 HD2 PRO B 171 -10.752 -6.389 -8.345 1.00 43.44 H new ATOM 0 HD3 PRO B 171 -9.130 -5.727 -8.315 1.00 43.44 H new