USER MOD reduce.3.24.130724 H: found=0, std=0, add=1061, rem=0, adj=25 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= -0.0769 K(o=-0.18,f=-4.7!) USER MOD Set 1.2: B 164 HIS : no HE2:sc= -0.103 K(o=-0.18,f=-2.8) USER MOD Single : A 5 GLN : amide:sc= -0.894 K(o=-0.89,f=-3.4) USER MOD Single : A 8 HIS : no HD1:sc= -0.452 K(o=-0.45,f=-1.7) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 HIS : no HE2:sc= 0.352 K(o=0.35,f=-2.8) USER MOD Single : A 43 LYS NZ :NH3+ -178:sc= 0.356 (180deg=0.348) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ 143:sc= 1.02 (180deg=0.164) USER MOD Single : A 50 GLN : amide:sc= -1.2 K(o=-1.2,f=-0.11) USER MOD Single : A 52 THR OG1 : rot -77:sc= 0.6 USER MOD Single : A 55 ASN : amide:sc= -1.06 K(o=-1.1,f=-0.42) USER MOD Single : A 57 HIS : no HE2:sc= 0.139 K(o=0.14,f=-0.8) USER MOD Single : A 60 TYR OH : rot -30:sc= -0.0306 USER MOD Single : A 66 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : B 105 GLN : amide:sc= -2.78 K(o=-2.8,f=-2.1) USER MOD Single : B 108 HIS : no HD1:sc= -0.645 K(o=-0.64,f=-1.4) USER MOD Single : B 116 LYS NZ :NH3+ 179:sc= 0.423 (180deg=0.417) USER MOD Single : B 127 SER OG : rot 180:sc= 0 USER MOD Single : B 128 LYS NZ :NH3+ 174:sc= -0.217 (180deg=-0.301) 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= 0.0454 X(o=0.045,f=-0.26) 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+ -145:sc= 1.16 (180deg=0.352) USER MOD Single : B 150 GLN : amide:sc= -1.11 X(o=-1.1,f=-1.1) USER MOD Single : B 152 THR OG1 : rot -80:sc= -0.556 USER MOD Single : B 155 ASN : amide:sc= -3.87! K(o=-3.9!,f=-1.1) USER MOD Single : B 157 HIS : no HE2:sc= 0.334 K(o=0.33,f=-1.3) USER MOD Single : B 160 TYR OH : rot 149:sc= 0.983 USER MOD Single : B 166 HIS : no HE2:sc= 0.839 K(o=0.84,f=-2.6!) USER MOD Single : B 167 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 68 N GLN A 5 8.500 -12.668 -6.262 1.00 72.42 N ATOM 69 CA GLN A 5 7.747 -12.167 -5.098 1.00 31.35 C ATOM 70 C GLN A 5 7.235 -10.723 -5.296 1.00 32.30 C ATOM 71 O GLN A 5 6.315 -10.290 -4.610 1.00 13.41 O ATOM 72 CB GLN A 5 8.624 -12.276 -3.808 1.00 62.33 C ATOM 73 CG GLN A 5 10.122 -11.877 -3.930 1.00 74.14 C ATOM 74 CD GLN A 5 10.374 -10.528 -4.593 1.00 54.25 C ATOM 75 OE1 GLN A 5 10.651 -10.451 -5.790 1.00 21.45 O ATOM 76 NE2 GLN A 5 10.232 -9.455 -3.842 1.00 20.24 N ATOM 0 HA GLN A 5 6.863 -12.794 -4.987 1.00 31.35 H new ATOM 0 HB2 GLN A 5 8.170 -11.653 -3.038 1.00 62.33 H new ATOM 0 HB3 GLN A 5 8.577 -13.306 -3.454 1.00 62.33 H new ATOM 0 HG2 GLN A 5 10.562 -11.863 -2.933 1.00 74.14 H new ATOM 0 HG3 GLN A 5 10.643 -12.648 -4.498 1.00 74.14 H new ATOM 0 HE21 GLN A 5 10.002 -9.552 -2.853 1.00 20.24 H new ATOM 0 HE22 GLN A 5 10.352 -8.528 -4.250 1.00 20.24 H new ATOM 85 N LEU A 6 7.894 -9.999 -6.218 1.00 60.32 N ATOM 86 CA LEU A 6 7.602 -8.601 -6.531 1.00 21.52 C ATOM 87 C LEU A 6 6.294 -8.540 -7.328 1.00 54.05 C ATOM 88 O LEU A 6 6.224 -9.034 -8.466 1.00 35.13 O ATOM 89 CB LEU A 6 8.789 -7.990 -7.330 1.00 72.11 C ATOM 90 CG LEU A 6 8.768 -6.439 -7.511 1.00 60.04 C ATOM 91 CD1 LEU A 6 8.995 -5.715 -6.170 1.00 53.22 C ATOM 92 CD2 LEU A 6 9.797 -5.987 -8.568 1.00 2.31 C ATOM 0 H LEU A 6 8.658 -10.383 -6.774 1.00 60.32 H new ATOM 0 HA LEU A 6 7.480 -8.018 -5.618 1.00 21.52 H new ATOM 0 HB2 LEU A 6 9.717 -8.265 -6.829 1.00 72.11 H new ATOM 0 HB3 LEU A 6 8.811 -8.451 -8.318 1.00 72.11 H new ATOM 0 HG LEU A 6 7.777 -6.163 -7.872 1.00 60.04 H new ATOM 0 HD11 LEU A 6 8.975 -4.637 -6.330 1.00 53.22 H new ATOM 0 HD12 LEU A 6 8.208 -5.992 -5.469 1.00 53.22 H new ATOM 0 HD13 LEU A 6 9.963 -6.003 -5.761 1.00 53.22 H new ATOM 0 HD21 LEU A 6 9.759 -4.903 -8.672 1.00 2.31 H new ATOM 0 HD22 LEU A 6 10.797 -6.287 -8.254 1.00 2.31 H new ATOM 0 HD23 LEU A 6 9.563 -6.452 -9.526 1.00 2.31 H new ATOM 104 N LEU A 7 5.262 -7.953 -6.722 1.00 4.02 N ATOM 105 CA LEU A 7 3.876 -8.093 -7.191 1.00 42.32 C ATOM 106 C LEU A 7 3.096 -6.781 -7.053 1.00 14.40 C ATOM 107 O LEU A 7 3.672 -5.713 -6.870 1.00 22.14 O ATOM 108 CB LEU A 7 3.160 -9.233 -6.391 1.00 64.44 C ATOM 109 CG LEU A 7 2.614 -8.880 -4.957 1.00 44.23 C ATOM 110 CD1 LEU A 7 1.726 -9.992 -4.416 1.00 52.14 C ATOM 111 CD2 LEU A 7 3.733 -8.531 -3.957 1.00 30.31 C ATOM 0 H LEU A 7 5.359 -7.367 -5.893 1.00 4.02 H new ATOM 0 HA LEU A 7 3.903 -8.350 -8.250 1.00 42.32 H new ATOM 0 HB2 LEU A 7 2.323 -9.591 -6.991 1.00 64.44 H new ATOM 0 HB3 LEU A 7 3.859 -10.064 -6.290 1.00 64.44 H new ATOM 0 HG LEU A 7 2.009 -7.981 -5.073 1.00 44.23 H new ATOM 0 HD11 LEU A 7 1.364 -9.719 -3.425 1.00 52.14 H new ATOM 0 HD12 LEU A 7 0.877 -10.138 -5.084 1.00 52.14 H new ATOM 0 HD13 LEU A 7 2.300 -10.917 -4.351 1.00 52.14 H new ATOM 0 HD21 LEU A 7 3.294 -8.297 -2.987 1.00 30.31 H new ATOM 0 HD22 LEU A 7 4.408 -9.381 -3.855 1.00 30.31 H new ATOM 0 HD23 LEU A 7 4.290 -7.668 -4.321 1.00 30.31 H new ATOM 123 N HIS A 8 1.772 -6.890 -7.207 1.00 15.23 N ATOM 124 CA HIS A 8 0.820 -5.847 -6.827 1.00 52.22 C ATOM 125 C HIS A 8 0.339 -6.118 -5.386 1.00 53.12 C ATOM 126 O HIS A 8 -0.417 -7.068 -5.173 1.00 64.14 O ATOM 127 CB HIS A 8 -0.387 -5.868 -7.798 1.00 2.44 C ATOM 128 CG HIS A 8 -0.062 -5.607 -9.251 1.00 70.33 C ATOM 129 ND1 HIS A 8 -1.025 -5.613 -10.242 1.00 4.13 N ATOM 130 CD2 HIS A 8 1.115 -5.368 -9.886 1.00 44.24 C ATOM 131 CE1 HIS A 8 -0.456 -5.395 -11.406 1.00 64.32 C ATOM 132 NE2 HIS A 8 0.839 -5.243 -11.217 1.00 21.41 N ATOM 0 H HIS A 8 1.328 -7.718 -7.605 1.00 15.23 H new ATOM 0 HA HIS A 8 1.297 -4.868 -6.878 1.00 52.22 H new ATOM 0 HB2 HIS A 8 -0.874 -6.840 -7.722 1.00 2.44 H new ATOM 0 HB3 HIS A 8 -1.110 -5.123 -7.467 1.00 2.44 H new ATOM 0 HD2 HIS A 8 2.088 -5.291 -9.424 1.00 44.24 H new ATOM 0 HE1 HIS A 8 -0.964 -5.348 -12.358 1.00 64.32 H new ATOM 0 HE2 HIS A 8 1.526 -5.061 -11.949 1.00 21.41 H new ATOM 141 N ILE A 9 0.810 -5.325 -4.396 1.00 54.54 N ATOM 142 CA ILE A 9 0.372 -5.473 -2.979 1.00 32.03 C ATOM 143 C ILE A 9 -1.099 -5.039 -2.819 1.00 54.21 C ATOM 144 O ILE A 9 -1.645 -4.345 -3.675 1.00 30.21 O ATOM 145 CB ILE A 9 1.256 -4.640 -1.969 1.00 40.42 C ATOM 146 CG1 ILE A 9 1.103 -3.109 -2.242 1.00 42.40 C ATOM 147 CG2 ILE A 9 2.732 -5.087 -2.012 1.00 44.50 C ATOM 148 CD1 ILE A 9 1.913 -2.190 -1.341 1.00 42.03 C ATOM 0 H ILE A 9 1.489 -4.579 -4.546 1.00 54.54 H new ATOM 0 HA ILE A 9 0.489 -6.529 -2.738 1.00 32.03 H new ATOM 0 HB ILE A 9 0.897 -4.835 -0.959 1.00 40.42 H new ATOM 0 HG12 ILE A 9 1.386 -2.914 -3.276 1.00 42.40 H new ATOM 0 HG13 ILE A 9 0.050 -2.846 -2.145 1.00 42.40 H new ATOM 0 HG21 ILE A 9 3.313 -4.494 -1.305 1.00 44.50 H new ATOM 0 HG22 ILE A 9 2.801 -6.141 -1.743 1.00 44.50 H new ATOM 0 HG23 ILE A 9 3.127 -4.942 -3.018 1.00 44.50 H new ATOM 0 HD11 ILE A 9 1.730 -1.152 -1.620 1.00 42.03 H new ATOM 0 HD12 ILE A 9 1.617 -2.344 -0.303 1.00 42.03 H new ATOM 0 HD13 ILE A 9 2.974 -2.414 -1.453 1.00 42.03 H new ATOM 160 N VAL A 10 -1.713 -5.401 -1.691 1.00 50.11 N ATOM 161 CA VAL A 10 -3.154 -5.189 -1.452 1.00 52.03 C ATOM 162 C VAL A 10 -3.409 -4.241 -0.273 1.00 12.14 C ATOM 163 O VAL A 10 -2.777 -4.339 0.785 1.00 41.45 O ATOM 164 CB VAL A 10 -3.903 -6.562 -1.241 1.00 5.34 C ATOM 165 CG1 VAL A 10 -4.278 -7.175 -2.594 1.00 74.20 C ATOM 166 CG2 VAL A 10 -3.041 -7.556 -0.413 1.00 65.35 C ATOM 0 H VAL A 10 -1.230 -5.850 -0.913 1.00 50.11 H new ATOM 0 HA VAL A 10 -3.559 -4.712 -2.345 1.00 52.03 H new ATOM 0 HB VAL A 10 -4.815 -6.365 -0.678 1.00 5.34 H new ATOM 0 HG11 VAL A 10 -4.794 -8.122 -2.434 1.00 74.20 H new ATOM 0 HG12 VAL A 10 -4.933 -6.491 -3.134 1.00 74.20 H new ATOM 0 HG13 VAL A 10 -3.374 -7.349 -3.178 1.00 74.20 H new ATOM 0 HG21 VAL A 10 -3.586 -8.491 -0.286 1.00 65.35 H new ATOM 0 HG22 VAL A 10 -2.105 -7.750 -0.937 1.00 65.35 H new ATOM 0 HG23 VAL A 10 -2.827 -7.125 0.565 1.00 65.35 H new ATOM 176 N VAL A 11 -4.352 -3.316 -0.503 1.00 41.33 N ATOM 177 CA VAL A 11 -4.788 -2.294 0.469 1.00 23.13 C ATOM 178 C VAL A 11 -6.332 -2.209 0.474 1.00 11.42 C ATOM 179 O VAL A 11 -7.013 -2.955 -0.236 1.00 41.52 O ATOM 180 CB VAL A 11 -4.182 -0.870 0.133 1.00 13.31 C ATOM 181 CG1 VAL A 11 -2.635 -0.895 0.118 1.00 63.33 C ATOM 182 CG2 VAL A 11 -4.755 -0.307 -1.198 1.00 64.34 C ATOM 0 H VAL A 11 -4.848 -3.253 -1.392 1.00 41.33 H new ATOM 0 HA VAL A 11 -4.425 -2.591 1.453 1.00 23.13 H new ATOM 0 HB VAL A 11 -4.486 -0.194 0.932 1.00 13.31 H new ATOM 0 HG11 VAL A 11 -2.257 0.100 -0.116 1.00 63.33 H new ATOM 0 HG12 VAL A 11 -2.267 -1.202 1.097 1.00 63.33 H new ATOM 0 HG13 VAL A 11 -2.290 -1.601 -0.637 1.00 63.33 H new ATOM 0 HG21 VAL A 11 -4.318 0.671 -1.398 1.00 64.34 H new ATOM 0 HG22 VAL A 11 -4.512 -0.987 -2.015 1.00 64.34 H new ATOM 0 HG23 VAL A 11 -5.838 -0.210 -1.116 1.00 64.34 H new ATOM 192 N GLY A 12 -6.872 -1.340 1.328 1.00 63.34 N ATOM 193 CA GLY A 12 -8.271 -0.931 1.241 1.00 53.33 C ATOM 194 C GLY A 12 -8.679 -0.072 2.411 1.00 61.33 C ATOM 195 O GLY A 12 -7.917 0.798 2.818 1.00 14.33 O ATOM 0 H GLY A 12 -6.357 -0.904 2.093 1.00 63.34 H new ATOM 0 HA2 GLY A 12 -8.432 -0.381 0.314 1.00 53.33 H new ATOM 0 HA3 GLY A 12 -8.906 -1.816 1.201 1.00 53.33 H new ATOM 199 N GLY A 13 -9.888 -0.295 2.932 1.00 55.40 N ATOM 200 CA GLY A 13 -10.399 0.450 4.084 1.00 61.02 C ATOM 201 C GLY A 13 -11.702 1.123 3.731 1.00 54.02 C ATOM 202 O GLY A 13 -12.288 0.808 2.684 1.00 1.11 O ATOM 0 H GLY A 13 -10.537 -0.993 2.569 1.00 55.40 H new ATOM 0 HA2 GLY A 13 -10.546 -0.225 4.927 1.00 61.02 H new ATOM 0 HA3 GLY A 13 -9.669 1.196 4.397 1.00 61.02 H new ATOM 206 N GLU A 14 -12.161 2.063 4.572 1.00 53.30 N ATOM 207 CA GLU A 14 -13.466 2.706 4.372 1.00 34.24 C ATOM 208 C GLU A 14 -13.353 3.911 3.449 1.00 72.44 C ATOM 209 O GLU A 14 -12.359 4.649 3.451 1.00 60.14 O ATOM 210 CB GLU A 14 -14.176 3.087 5.702 1.00 31.41 C ATOM 211 CG GLU A 14 -14.863 1.894 6.413 1.00 2.21 C ATOM 212 CD GLU A 14 -16.034 2.296 7.329 1.00 2.13 C ATOM 213 OE1 GLU A 14 -15.869 3.216 8.155 1.00 34.24 O ATOM 214 OE2 GLU A 14 -17.125 1.678 7.223 1.00 54.24 O ATOM 0 H GLU A 14 -11.650 2.392 5.391 1.00 53.30 H new ATOM 0 HA GLU A 14 -14.098 1.959 3.892 1.00 34.24 H new ATOM 0 HB2 GLU A 14 -13.445 3.528 6.379 1.00 31.41 H new ATOM 0 HB3 GLU A 14 -14.923 3.854 5.497 1.00 31.41 H new ATOM 0 HG2 GLU A 14 -15.229 1.197 5.659 1.00 2.21 H new ATOM 0 HG3 GLU A 14 -14.119 1.361 7.005 1.00 2.21 H new ATOM 221 N LEU A 15 -14.399 4.052 2.641 1.00 11.10 N ATOM 222 CA LEU A 15 -14.598 5.133 1.689 1.00 42.34 C ATOM 223 C LEU A 15 -15.686 6.080 2.259 1.00 23.01 C ATOM 224 O LEU A 15 -16.352 5.748 3.243 1.00 51.01 O ATOM 225 CB LEU A 15 -15.028 4.531 0.312 1.00 44.04 C ATOM 226 CG LEU A 15 -13.929 3.791 -0.538 1.00 12.54 C ATOM 227 CD1 LEU A 15 -12.755 4.713 -0.856 1.00 3.13 C ATOM 228 CD2 LEU A 15 -13.427 2.495 0.116 1.00 0.31 C ATOM 0 H LEU A 15 -15.167 3.381 2.634 1.00 11.10 H new ATOM 0 HA LEU A 15 -13.680 5.699 1.534 1.00 42.34 H new ATOM 0 HB2 LEU A 15 -15.842 3.829 0.492 1.00 44.04 H new ATOM 0 HB3 LEU A 15 -15.434 5.340 -0.296 1.00 44.04 H new ATOM 0 HG LEU A 15 -14.418 3.508 -1.470 1.00 12.54 H new ATOM 0 HD11 LEU A 15 -12.015 4.170 -1.444 1.00 3.13 H new ATOM 0 HD12 LEU A 15 -13.111 5.572 -1.425 1.00 3.13 H new ATOM 0 HD13 LEU A 15 -12.300 5.056 0.073 1.00 3.13 H new ATOM 0 HD21 LEU A 15 -12.672 2.035 -0.521 1.00 0.31 H new ATOM 0 HD22 LEU A 15 -12.991 2.723 1.089 1.00 0.31 H new ATOM 0 HD23 LEU A 15 -14.261 1.806 0.245 1.00 0.31 H new ATOM 240 N LYS A 16 -15.839 7.264 1.668 1.00 31.31 N ATOM 241 CA LYS A 16 -16.891 8.229 2.070 1.00 44.05 C ATOM 242 C LYS A 16 -18.231 7.798 1.452 1.00 43.43 C ATOM 243 O LYS A 16 -19.301 7.982 2.032 1.00 35.11 O ATOM 244 CB LYS A 16 -16.525 9.656 1.600 1.00 74.34 C ATOM 245 CG LYS A 16 -15.142 10.138 2.074 1.00 12.15 C ATOM 246 CD LYS A 16 -14.847 11.597 1.674 1.00 1.32 C ATOM 247 CE LYS A 16 -13.396 12.001 1.967 1.00 60.44 C ATOM 248 NZ LYS A 16 -13.179 13.454 1.772 1.00 15.42 N ATOM 0 H LYS A 16 -15.249 7.590 0.903 1.00 31.31 H new ATOM 0 HA LYS A 16 -16.974 8.238 3.157 1.00 44.05 H new ATOM 0 HB2 LYS A 16 -16.555 9.687 0.511 1.00 74.34 H new ATOM 0 HB3 LYS A 16 -17.283 10.351 1.960 1.00 74.34 H new ATOM 0 HG2 LYS A 16 -15.082 10.044 3.158 1.00 12.15 H new ATOM 0 HG3 LYS A 16 -14.373 9.489 1.655 1.00 12.15 H new ATOM 0 HD2 LYS A 16 -15.050 11.728 0.611 1.00 1.32 H new ATOM 0 HD3 LYS A 16 -15.522 12.262 2.212 1.00 1.32 H new ATOM 0 HE2 LYS A 16 -13.143 11.730 2.992 1.00 60.44 H new ATOM 0 HE3 LYS A 16 -12.724 11.442 1.315 1.00 60.44 H new ATOM 0 HZ1 LYS A 16 -12.187 13.688 1.980 1.00 15.42 H new ATOM 0 HZ2 LYS A 16 -13.396 13.708 0.787 1.00 15.42 H new ATOM 0 HZ3 LYS A 16 -13.802 13.987 2.412 1.00 15.42 H new ATOM 262 N ASP A 17 -18.123 7.207 0.259 1.00 40.42 N ATOM 263 CA ASP A 17 -19.250 6.644 -0.502 1.00 74.35 C ATOM 264 C ASP A 17 -19.073 5.100 -0.552 1.00 52.31 C ATOM 265 O ASP A 17 -18.205 4.558 0.141 1.00 34.10 O ATOM 266 CB ASP A 17 -19.259 7.301 -1.919 1.00 42.51 C ATOM 267 CG ASP A 17 -20.558 7.072 -2.707 1.00 51.40 C ATOM 268 OD1 ASP A 17 -21.551 7.788 -2.451 1.00 11.41 O ATOM 269 OD2 ASP A 17 -20.603 6.171 -3.575 1.00 31.25 O ATOM 0 H ASP A 17 -17.228 7.102 -0.219 1.00 40.42 H new ATOM 0 HA ASP A 17 -20.213 6.853 -0.037 1.00 74.35 H new ATOM 0 HB2 ASP A 17 -19.096 8.373 -1.812 1.00 42.51 H new ATOM 0 HB3 ASP A 17 -18.422 6.907 -2.496 1.00 42.51 H new ATOM 274 N VAL A 18 -19.923 4.385 -1.303 1.00 41.45 N ATOM 275 CA VAL A 18 -19.766 2.928 -1.527 1.00 13.04 C ATOM 276 C VAL A 18 -19.062 2.642 -2.875 1.00 22.40 C ATOM 277 O VAL A 18 -18.211 1.750 -2.964 1.00 15.32 O ATOM 278 CB VAL A 18 -21.149 2.186 -1.458 1.00 43.54 C ATOM 279 CG1 VAL A 18 -21.693 2.170 -0.004 1.00 4.41 C ATOM 280 CG2 VAL A 18 -22.182 2.815 -2.427 1.00 24.34 C ATOM 0 H VAL A 18 -20.734 4.789 -1.771 1.00 41.45 H new ATOM 0 HA VAL A 18 -19.136 2.542 -0.726 1.00 13.04 H new ATOM 0 HB VAL A 18 -20.987 1.156 -1.775 1.00 43.54 H new ATOM 0 HG11 VAL A 18 -22.651 1.651 0.020 1.00 4.41 H new ATOM 0 HG12 VAL A 18 -20.985 1.654 0.644 1.00 4.41 H new ATOM 0 HG13 VAL A 18 -21.826 3.194 0.346 1.00 4.41 H new ATOM 0 HG21 VAL A 18 -23.126 2.276 -2.352 1.00 24.34 H new ATOM 0 HG22 VAL A 18 -22.339 3.861 -2.163 1.00 24.34 H new ATOM 0 HG23 VAL A 18 -21.808 2.751 -3.449 1.00 24.34 H new ATOM 290 N ALA A 19 -19.447 3.400 -3.909 1.00 12.31 N ATOM 291 CA ALA A 19 -18.871 3.299 -5.262 1.00 41.14 C ATOM 292 C ALA A 19 -17.710 4.292 -5.420 1.00 73.13 C ATOM 293 O ALA A 19 -16.732 4.010 -6.123 1.00 1.20 O ATOM 294 CB ALA A 19 -19.967 3.574 -6.303 1.00 61.05 C ATOM 0 H ALA A 19 -20.175 4.110 -3.832 1.00 12.31 H new ATOM 0 HA ALA A 19 -18.479 2.294 -5.417 1.00 41.14 H new ATOM 0 HB1 ALA A 19 -19.544 3.500 -7.305 1.00 61.05 H new ATOM 0 HB2 ALA A 19 -20.767 2.842 -6.192 1.00 61.05 H new ATOM 0 HB3 ALA A 19 -20.369 4.576 -6.152 1.00 61.05 H new ATOM 300 N GLY A 20 -17.838 5.450 -4.736 1.00 22.23 N ATOM 301 CA GLY A 20 -16.861 6.542 -4.830 1.00 22.20 C ATOM 302 C GLY A 20 -15.574 6.210 -4.100 1.00 52.42 C ATOM 303 O GLY A 20 -15.609 5.821 -2.929 1.00 2.10 O ATOM 0 H GLY A 20 -18.618 5.647 -4.109 1.00 22.23 H new ATOM 0 HA2 GLY A 20 -16.642 6.745 -5.878 1.00 22.20 H new ATOM 0 HA3 GLY A 20 -17.292 7.452 -4.412 1.00 22.20 H new ATOM 307 N VAL A 21 -14.429 6.409 -4.780 1.00 71.00 N ATOM 308 CA VAL A 21 -13.104 5.983 -4.275 1.00 23.12 C ATOM 309 C VAL A 21 -12.421 7.136 -3.484 1.00 3.02 C ATOM 310 O VAL A 21 -11.199 7.356 -3.542 1.00 75.11 O ATOM 311 CB VAL A 21 -12.183 5.460 -5.455 1.00 32.15 C ATOM 312 CG1 VAL A 21 -11.002 4.623 -4.913 1.00 35.03 C ATOM 313 CG2 VAL A 21 -12.989 4.640 -6.496 1.00 0.01 C ATOM 0 H VAL A 21 -14.393 6.867 -5.691 1.00 71.00 H new ATOM 0 HA VAL A 21 -13.253 5.150 -3.588 1.00 23.12 H new ATOM 0 HB VAL A 21 -11.783 6.340 -5.959 1.00 32.15 H new ATOM 0 HG11 VAL A 21 -10.388 4.278 -5.745 1.00 35.03 H new ATOM 0 HG12 VAL A 21 -10.397 5.237 -4.246 1.00 35.03 H new ATOM 0 HG13 VAL A 21 -11.387 3.763 -4.365 1.00 35.03 H new ATOM 0 HG21 VAL A 21 -12.321 4.300 -7.288 1.00 0.01 H new ATOM 0 HG22 VAL A 21 -13.442 3.777 -6.008 1.00 0.01 H new ATOM 0 HG23 VAL A 21 -13.771 5.266 -6.925 1.00 0.01 H new ATOM 323 N GLU A 22 -13.242 7.843 -2.703 1.00 62.23 N ATOM 324 CA GLU A 22 -12.794 8.871 -1.771 1.00 53.23 C ATOM 325 C GLU A 22 -12.558 8.205 -0.418 1.00 2.33 C ATOM 326 O GLU A 22 -13.515 7.900 0.271 1.00 40.41 O ATOM 327 CB GLU A 22 -13.882 9.969 -1.648 1.00 33.12 C ATOM 328 CG GLU A 22 -14.247 10.657 -2.974 1.00 62.10 C ATOM 329 CD GLU A 22 -13.090 11.471 -3.573 1.00 12.34 C ATOM 330 OE1 GLU A 22 -12.866 12.613 -3.110 1.00 65.55 O ATOM 331 OE2 GLU A 22 -12.382 10.969 -4.483 1.00 63.15 O ATOM 0 H GLU A 22 -14.254 7.712 -2.704 1.00 62.23 H new ATOM 0 HA GLU A 22 -11.874 9.338 -2.123 1.00 53.23 H new ATOM 0 HB2 GLU A 22 -14.782 9.524 -1.224 1.00 33.12 H new ATOM 0 HB3 GLU A 22 -13.538 10.726 -0.943 1.00 33.12 H new ATOM 0 HG2 GLU A 22 -14.561 9.901 -3.694 1.00 62.10 H new ATOM 0 HG3 GLU A 22 -15.100 11.316 -2.811 1.00 62.10 H new ATOM 338 N PHE A 23 -11.296 7.894 -0.076 1.00 54.14 N ATOM 339 CA PHE A 23 -10.969 7.287 1.233 1.00 44.12 C ATOM 340 C PHE A 23 -11.460 8.191 2.382 1.00 41.40 C ATOM 341 O PHE A 23 -11.118 9.382 2.429 1.00 63.23 O ATOM 342 CB PHE A 23 -9.459 6.996 1.382 1.00 64.42 C ATOM 343 CG PHE A 23 -8.933 5.928 0.422 1.00 4.05 C ATOM 344 CD1 PHE A 23 -9.462 4.633 0.451 1.00 74.30 C ATOM 345 CD2 PHE A 23 -7.902 6.199 -0.483 1.00 55.44 C ATOM 346 CE1 PHE A 23 -8.982 3.650 -0.400 1.00 41.31 C ATOM 347 CE2 PHE A 23 -7.427 5.215 -1.334 1.00 2.01 C ATOM 348 CZ PHE A 23 -7.965 3.942 -1.292 1.00 13.33 C ATOM 0 H PHE A 23 -10.489 8.050 -0.680 1.00 54.14 H new ATOM 0 HA PHE A 23 -11.488 6.330 1.284 1.00 44.12 H new ATOM 0 HB2 PHE A 23 -8.904 7.920 1.221 1.00 64.42 H new ATOM 0 HB3 PHE A 23 -9.260 6.679 2.406 1.00 64.42 H new ATOM 0 HD1 PHE A 23 -10.255 4.396 1.145 1.00 74.30 H new ATOM 0 HD2 PHE A 23 -7.471 7.188 -0.519 1.00 55.44 H new ATOM 0 HE1 PHE A 23 -9.402 2.656 -0.367 1.00 41.31 H new ATOM 0 HE2 PHE A 23 -6.635 5.442 -2.032 1.00 2.01 H new ATOM 0 HZ PHE A 23 -7.592 3.176 -1.955 1.00 13.33 H new ATOM 358 N ARG A 24 -12.281 7.592 3.268 1.00 43.31 N ATOM 359 CA ARG A 24 -12.985 8.288 4.364 1.00 2.03 C ATOM 360 C ARG A 24 -11.993 8.970 5.311 1.00 14.10 C ATOM 361 O ARG A 24 -12.243 10.078 5.796 1.00 24.22 O ATOM 362 CB ARG A 24 -13.867 7.274 5.138 1.00 22.30 C ATOM 363 CG ARG A 24 -14.907 7.905 6.082 1.00 62.22 C ATOM 364 CD ARG A 24 -15.749 6.851 6.828 1.00 51.44 C ATOM 365 NE ARG A 24 -16.810 7.485 7.627 1.00 40.02 N ATOM 366 CZ ARG A 24 -17.610 6.860 8.499 1.00 33.42 C ATOM 367 NH1 ARG A 24 -17.508 5.550 8.726 1.00 65.51 N ATOM 368 NH2 ARG A 24 -18.525 7.559 9.139 1.00 65.13 N ATOM 0 H ARG A 24 -12.477 6.591 3.241 1.00 43.31 H new ATOM 0 HA ARG A 24 -13.619 9.064 3.936 1.00 2.03 H new ATOM 0 HB2 ARG A 24 -14.388 6.644 4.417 1.00 22.30 H new ATOM 0 HB3 ARG A 24 -13.218 6.621 5.721 1.00 22.30 H new ATOM 0 HG2 ARG A 24 -14.396 8.537 6.809 1.00 62.22 H new ATOM 0 HG3 ARG A 24 -15.569 8.552 5.506 1.00 62.22 H new ATOM 0 HD2 ARG A 24 -16.194 6.162 6.110 1.00 51.44 H new ATOM 0 HD3 ARG A 24 -15.104 6.261 7.479 1.00 51.44 H new ATOM 0 HE ARG A 24 -16.948 8.488 7.506 1.00 40.02 H new ATOM 0 HH11 ARG A 24 -16.807 4.999 8.230 1.00 65.51 H new ATOM 0 HH12 ARG A 24 -18.131 5.099 9.396 1.00 65.51 H new ATOM 0 HH21 ARG A 24 -18.615 8.560 8.966 1.00 65.13 H new ATOM 0 HH22 ARG A 24 -19.143 7.099 9.807 1.00 65.13 H new ATOM 382 N ASP A 25 -10.875 8.270 5.549 1.00 4.24 N ATOM 383 CA ASP A 25 -9.746 8.771 6.332 1.00 53.22 C ATOM 384 C ASP A 25 -8.530 7.883 6.011 1.00 10.03 C ATOM 385 O ASP A 25 -8.641 6.658 5.987 1.00 51.11 O ATOM 386 CB ASP A 25 -10.077 8.769 7.848 1.00 34.10 C ATOM 387 CG ASP A 25 -9.007 9.449 8.713 1.00 40.01 C ATOM 388 OD1 ASP A 25 -8.057 8.773 9.131 1.00 12.43 O ATOM 389 OD2 ASP A 25 -9.113 10.669 8.981 1.00 40.21 O ATOM 0 H ASP A 25 -10.731 7.324 5.195 1.00 4.24 H new ATOM 0 HA ASP A 25 -9.526 9.806 6.070 1.00 53.22 H new ATOM 0 HB2 ASP A 25 -11.031 9.272 8.003 1.00 34.10 H new ATOM 0 HB3 ASP A 25 -10.202 7.739 8.182 1.00 34.10 H new ATOM 394 N LEU A 26 -7.386 8.519 5.743 1.00 24.15 N ATOM 395 CA LEU A 26 -6.173 7.850 5.263 1.00 45.51 C ATOM 396 C LEU A 26 -5.414 7.114 6.393 1.00 3.43 C ATOM 397 O LEU A 26 -4.550 6.277 6.122 1.00 10.43 O ATOM 398 CB LEU A 26 -5.277 8.881 4.527 1.00 1.24 C ATOM 399 CG LEU A 26 -5.784 9.368 3.127 1.00 64.35 C ATOM 400 CD1 LEU A 26 -5.883 8.202 2.135 1.00 24.34 C ATOM 401 CD2 LEU A 26 -7.101 10.164 3.208 1.00 72.41 C ATOM 0 H LEU A 26 -7.275 9.527 5.855 1.00 24.15 H new ATOM 0 HA LEU A 26 -6.464 7.071 4.558 1.00 45.51 H new ATOM 0 HB2 LEU A 26 -5.160 9.753 5.170 1.00 1.24 H new ATOM 0 HB3 LEU A 26 -4.287 8.444 4.399 1.00 1.24 H new ATOM 0 HG LEU A 26 -5.035 10.065 2.750 1.00 64.35 H new ATOM 0 HD11 LEU A 26 -6.238 8.572 1.173 1.00 24.34 H new ATOM 0 HD12 LEU A 26 -4.901 7.747 2.009 1.00 24.34 H new ATOM 0 HD13 LEU A 26 -6.581 7.457 2.517 1.00 24.34 H new ATOM 0 HD21 LEU A 26 -7.401 10.474 2.207 1.00 72.41 H new ATOM 0 HD22 LEU A 26 -7.879 9.536 3.642 1.00 72.41 H new ATOM 0 HD23 LEU A 26 -6.956 11.046 3.832 1.00 72.41 H new ATOM 413 N SER A 27 -5.751 7.412 7.662 1.00 30.41 N ATOM 414 CA SER A 27 -5.268 6.620 8.810 1.00 54.40 C ATOM 415 C SER A 27 -6.093 5.318 8.909 1.00 23.21 C ATOM 416 O SER A 27 -5.630 4.313 9.449 1.00 5.43 O ATOM 417 CB SER A 27 -5.358 7.444 10.118 1.00 13.32 C ATOM 418 OG SER A 27 -4.737 8.715 9.965 1.00 64.14 O ATOM 0 H SER A 27 -6.354 8.193 7.918 1.00 30.41 H new ATOM 0 HA SER A 27 -4.219 6.363 8.661 1.00 54.40 H new ATOM 0 HB2 SER A 27 -6.403 7.577 10.396 1.00 13.32 H new ATOM 0 HB3 SER A 27 -4.879 6.897 10.930 1.00 13.32 H new ATOM 0 HG SER A 27 -4.808 9.217 10.804 1.00 64.14 H new ATOM 424 N LYS A 28 -7.318 5.356 8.330 1.00 53.44 N ATOM 425 CA LYS A 28 -8.261 4.219 8.305 1.00 23.51 C ATOM 426 C LYS A 28 -8.155 3.415 6.987 1.00 44.41 C ATOM 427 O LYS A 28 -9.044 2.608 6.674 1.00 60.54 O ATOM 428 CB LYS A 28 -9.709 4.733 8.523 1.00 31.03 C ATOM 429 CG LYS A 28 -9.906 5.507 9.844 1.00 72.23 C ATOM 430 CD LYS A 28 -11.380 5.880 10.102 1.00 52.32 C ATOM 431 CE LYS A 28 -11.560 6.760 11.346 1.00 3.30 C ATOM 432 NZ LYS A 28 -12.988 7.085 11.586 1.00 61.13 N ATOM 0 H LYS A 28 -7.680 6.188 7.863 1.00 53.44 H new ATOM 0 HA LYS A 28 -7.997 3.540 9.116 1.00 23.51 H new ATOM 0 HB2 LYS A 28 -9.984 5.380 7.690 1.00 31.03 H new ATOM 0 HB3 LYS A 28 -10.392 3.884 8.506 1.00 31.03 H new ATOM 0 HG2 LYS A 28 -9.538 4.902 10.673 1.00 72.23 H new ATOM 0 HG3 LYS A 28 -9.304 6.416 9.821 1.00 72.23 H new ATOM 0 HD2 LYS A 28 -11.776 6.403 9.232 1.00 52.32 H new ATOM 0 HD3 LYS A 28 -11.966 4.968 10.219 1.00 52.32 H new ATOM 0 HE2 LYS A 28 -11.152 6.247 12.217 1.00 3.30 H new ATOM 0 HE3 LYS A 28 -10.992 7.682 11.225 1.00 3.30 H new ATOM 0 HZ1 LYS A 28 -13.071 7.681 12.434 1.00 61.13 H new ATOM 0 HZ2 LYS A 28 -13.370 7.597 10.765 1.00 61.13 H new ATOM 0 HZ3 LYS A 28 -13.525 6.206 11.727 1.00 61.13 H new ATOM 446 N VAL A 29 -7.071 3.640 6.214 1.00 21.44 N ATOM 447 CA VAL A 29 -6.722 2.789 5.063 1.00 32.32 C ATOM 448 C VAL A 29 -6.137 1.476 5.598 1.00 4.21 C ATOM 449 O VAL A 29 -5.005 1.445 6.092 1.00 73.11 O ATOM 450 CB VAL A 29 -5.715 3.490 4.061 1.00 45.44 C ATOM 451 CG1 VAL A 29 -5.148 2.498 3.003 1.00 62.21 C ATOM 452 CG2 VAL A 29 -6.399 4.684 3.355 1.00 72.12 C ATOM 0 H VAL A 29 -6.421 4.410 6.370 1.00 21.44 H new ATOM 0 HA VAL A 29 -7.627 2.599 4.486 1.00 32.32 H new ATOM 0 HB VAL A 29 -4.875 3.852 4.654 1.00 45.44 H new ATOM 0 HG11 VAL A 29 -4.463 3.026 2.340 1.00 62.21 H new ATOM 0 HG12 VAL A 29 -4.615 1.692 3.508 1.00 62.21 H new ATOM 0 HG13 VAL A 29 -5.968 2.080 2.420 1.00 62.21 H new ATOM 0 HG21 VAL A 29 -5.694 5.154 2.670 1.00 72.12 H new ATOM 0 HG22 VAL A 29 -7.265 4.329 2.796 1.00 72.12 H new ATOM 0 HG23 VAL A 29 -6.721 5.411 4.100 1.00 72.12 H new ATOM 462 N GLU A 30 -6.954 0.413 5.564 1.00 75.12 N ATOM 463 CA GLU A 30 -6.544 -0.914 6.028 1.00 40.43 C ATOM 464 C GLU A 30 -5.684 -1.595 4.957 1.00 2.20 C ATOM 465 O GLU A 30 -6.201 -2.044 3.925 1.00 70.11 O ATOM 466 CB GLU A 30 -7.761 -1.808 6.372 1.00 22.30 C ATOM 467 CG GLU A 30 -7.347 -3.194 6.937 1.00 62.04 C ATOM 468 CD GLU A 30 -8.519 -4.147 7.202 1.00 71.22 C ATOM 469 OE1 GLU A 30 -9.409 -3.800 7.997 1.00 54.21 O ATOM 470 OE2 GLU A 30 -8.545 -5.257 6.637 1.00 3.54 O ATOM 0 H GLU A 30 -7.912 0.452 5.215 1.00 75.12 H new ATOM 0 HA GLU A 30 -5.963 -0.781 6.941 1.00 40.43 H new ATOM 0 HB2 GLU A 30 -8.388 -1.296 7.102 1.00 22.30 H new ATOM 0 HB3 GLU A 30 -8.366 -1.951 5.477 1.00 22.30 H new ATOM 0 HG2 GLU A 30 -6.661 -3.668 6.235 1.00 62.04 H new ATOM 0 HG3 GLU A 30 -6.799 -3.044 7.867 1.00 62.04 H new ATOM 477 N PHE A 31 -4.379 -1.642 5.207 1.00 13.24 N ATOM 478 CA PHE A 31 -3.426 -2.331 4.338 1.00 61.12 C ATOM 479 C PHE A 31 -3.591 -3.840 4.561 1.00 52.45 C ATOM 480 O PHE A 31 -3.223 -4.356 5.626 1.00 4.02 O ATOM 481 CB PHE A 31 -1.984 -1.872 4.658 1.00 2.42 C ATOM 482 CG PHE A 31 -1.801 -0.356 4.616 1.00 13.14 C ATOM 483 CD1 PHE A 31 -1.542 0.300 3.416 1.00 72.34 C ATOM 484 CD2 PHE A 31 -1.906 0.415 5.778 1.00 4.43 C ATOM 485 CE1 PHE A 31 -1.400 1.669 3.377 1.00 60.43 C ATOM 486 CE2 PHE A 31 -1.758 1.783 5.728 1.00 54.13 C ATOM 487 CZ PHE A 31 -1.509 2.407 4.530 1.00 45.44 C ATOM 0 H PHE A 31 -3.949 -1.202 6.021 1.00 13.24 H new ATOM 0 HA PHE A 31 -3.617 -2.093 3.292 1.00 61.12 H new ATOM 0 HB2 PHE A 31 -1.707 -2.236 5.648 1.00 2.42 H new ATOM 0 HB3 PHE A 31 -1.299 -2.332 3.946 1.00 2.42 H new ATOM 0 HD1 PHE A 31 -1.451 -0.272 2.504 1.00 72.34 H new ATOM 0 HD2 PHE A 31 -2.105 -0.067 6.724 1.00 4.43 H new ATOM 0 HE1 PHE A 31 -1.202 2.164 2.437 1.00 60.43 H new ATOM 0 HE2 PHE A 31 -1.838 2.367 6.633 1.00 54.13 H new ATOM 0 HZ PHE A 31 -1.399 3.481 4.495 1.00 45.44 H new ATOM 497 N VAL A 32 -4.209 -4.516 3.575 1.00 11.10 N ATOM 498 CA VAL A 32 -4.511 -5.955 3.642 1.00 5.43 C ATOM 499 C VAL A 32 -3.215 -6.769 3.844 1.00 52.40 C ATOM 500 O VAL A 32 -3.172 -7.719 4.632 1.00 23.32 O ATOM 501 CB VAL A 32 -5.244 -6.449 2.344 1.00 34.04 C ATOM 502 CG1 VAL A 32 -5.569 -7.962 2.397 1.00 51.44 C ATOM 503 CG2 VAL A 32 -6.513 -5.622 2.075 1.00 64.23 C ATOM 0 H VAL A 32 -4.514 -4.076 2.707 1.00 11.10 H new ATOM 0 HA VAL A 32 -5.174 -6.111 4.493 1.00 5.43 H new ATOM 0 HB VAL A 32 -4.556 -6.298 1.513 1.00 34.04 H new ATOM 0 HG11 VAL A 32 -6.075 -8.258 1.478 1.00 51.44 H new ATOM 0 HG12 VAL A 32 -4.644 -8.529 2.500 1.00 51.44 H new ATOM 0 HG13 VAL A 32 -6.217 -8.165 3.250 1.00 51.44 H new ATOM 0 HG21 VAL A 32 -7.000 -5.986 1.170 1.00 64.23 H new ATOM 0 HG22 VAL A 32 -7.196 -5.719 2.919 1.00 64.23 H new ATOM 0 HG23 VAL A 32 -6.243 -4.574 1.945 1.00 64.23 H new ATOM 513 N GLY A 33 -2.172 -6.360 3.111 1.00 51.22 N ATOM 514 CA GLY A 33 -0.844 -6.950 3.208 1.00 42.12 C ATOM 515 C GLY A 33 -0.221 -7.093 1.834 1.00 3.44 C ATOM 516 O GLY A 33 -0.311 -6.172 1.006 1.00 50.44 O ATOM 0 H GLY A 33 -2.233 -5.603 2.430 1.00 51.22 H new ATOM 0 HA2 GLY A 33 -0.209 -6.327 3.838 1.00 42.12 H new ATOM 0 HA3 GLY A 33 -0.909 -7.927 3.687 1.00 42.12 H new ATOM 520 N ALA A 34 0.407 -8.242 1.599 1.00 73.01 N ATOM 521 CA ALA A 34 1.009 -8.614 0.313 1.00 44.03 C ATOM 522 C ALA A 34 1.232 -10.137 0.301 1.00 65.22 C ATOM 523 O ALA A 34 1.113 -10.795 1.343 1.00 12.43 O ATOM 524 CB ALA A 34 2.325 -7.863 0.090 1.00 55.51 C ATOM 0 H ALA A 34 0.516 -8.962 2.313 1.00 73.01 H new ATOM 0 HA ALA A 34 0.340 -8.337 -0.501 1.00 44.03 H new ATOM 0 HB1 ALA A 34 2.753 -8.155 -0.869 1.00 55.51 H new ATOM 0 HB2 ALA A 34 2.136 -6.790 0.091 1.00 55.51 H new ATOM 0 HB3 ALA A 34 3.024 -8.109 0.889 1.00 55.51 H new ATOM 530 N TYR A 35 1.559 -10.695 -0.873 1.00 1.51 N ATOM 531 CA TYR A 35 1.678 -12.159 -1.080 1.00 43.31 C ATOM 532 C TYR A 35 2.949 -12.477 -1.899 1.00 4.31 C ATOM 533 O TYR A 35 3.493 -11.578 -2.529 1.00 45.15 O ATOM 534 CB TYR A 35 0.396 -12.672 -1.798 1.00 31.22 C ATOM 535 CG TYR A 35 -0.848 -12.739 -0.891 1.00 74.21 C ATOM 536 CD1 TYR A 35 -1.651 -11.616 -0.668 1.00 64.33 C ATOM 537 CD2 TYR A 35 -1.208 -13.925 -0.243 1.00 53.42 C ATOM 538 CE1 TYR A 35 -2.760 -11.677 0.154 1.00 3.21 C ATOM 539 CE2 TYR A 35 -2.314 -13.988 0.578 1.00 32.52 C ATOM 540 CZ TYR A 35 -3.085 -12.865 0.775 1.00 12.24 C ATOM 541 OH TYR A 35 -4.185 -12.934 1.599 1.00 41.05 O ATOM 0 H TYR A 35 1.750 -10.149 -1.713 1.00 1.51 H new ATOM 0 HA TYR A 35 1.770 -12.668 -0.120 1.00 43.31 H new ATOM 0 HB2 TYR A 35 0.181 -12.020 -2.644 1.00 31.22 H new ATOM 0 HB3 TYR A 35 0.592 -13.665 -2.202 1.00 31.22 H new ATOM 0 HD1 TYR A 35 -1.399 -10.682 -1.148 1.00 64.33 H new ATOM 0 HD2 TYR A 35 -0.607 -14.810 -0.389 1.00 53.42 H new ATOM 0 HE1 TYR A 35 -3.369 -10.799 0.309 1.00 3.21 H new ATOM 0 HE2 TYR A 35 -2.575 -14.916 1.065 1.00 32.52 H new ATOM 0 HH TYR A 35 -4.271 -13.843 1.954 1.00 41.05 H new ATOM 551 N PRO A 36 3.468 -13.753 -1.904 1.00 43.12 N ATOM 552 CA PRO A 36 4.664 -14.116 -2.722 1.00 23.23 C ATOM 553 C PRO A 36 4.372 -14.245 -4.244 1.00 62.12 C ATOM 554 O PRO A 36 5.274 -14.584 -5.021 1.00 72.12 O ATOM 555 CB PRO A 36 5.106 -15.467 -2.098 1.00 22.12 C ATOM 556 CG PRO A 36 3.839 -16.077 -1.565 1.00 64.12 C ATOM 557 CD PRO A 36 2.989 -14.914 -1.088 1.00 70.15 C ATOM 0 HA PRO A 36 5.431 -13.342 -2.690 1.00 23.23 H new ATOM 0 HB2 PRO A 36 5.573 -16.112 -2.842 1.00 22.12 H new ATOM 0 HB3 PRO A 36 5.837 -15.315 -1.304 1.00 22.12 H new ATOM 0 HG2 PRO A 36 3.324 -16.647 -2.338 1.00 64.12 H new ATOM 0 HG3 PRO A 36 4.051 -16.767 -0.748 1.00 64.12 H new ATOM 0 HD2 PRO A 36 1.928 -15.104 -1.249 1.00 70.15 H new ATOM 0 HD3 PRO A 36 3.123 -14.734 -0.021 1.00 70.15 H new ATOM 565 N SER A 37 3.119 -13.951 -4.663 1.00 50.15 N ATOM 566 CA SER A 37 2.681 -14.035 -6.076 1.00 5.10 C ATOM 567 C SER A 37 1.516 -13.055 -6.310 1.00 73.43 C ATOM 568 O SER A 37 0.677 -12.876 -5.411 1.00 35.13 O ATOM 569 CB SER A 37 2.242 -15.483 -6.439 1.00 61.11 C ATOM 570 OG SER A 37 3.275 -16.431 -6.206 1.00 44.51 O ATOM 0 H SER A 37 2.381 -13.648 -4.028 1.00 50.15 H new ATOM 0 HA SER A 37 3.520 -13.767 -6.718 1.00 5.10 H new ATOM 0 HB2 SER A 37 1.364 -15.753 -5.852 1.00 61.11 H new ATOM 0 HB3 SER A 37 1.947 -15.519 -7.488 1.00 61.11 H new ATOM 0 HG SER A 37 2.957 -17.327 -6.445 1.00 44.51 H new ATOM 576 N TYR A 38 1.481 -12.420 -7.515 1.00 23.21 N ATOM 577 CA TYR A 38 0.441 -11.445 -7.903 1.00 11.13 C ATOM 578 C TYR A 38 -0.986 -11.950 -7.628 1.00 35.41 C ATOM 579 O TYR A 38 -1.713 -11.305 -6.895 1.00 55.40 O ATOM 580 CB TYR A 38 0.570 -11.016 -9.408 1.00 2.05 C ATOM 581 CG TYR A 38 -0.697 -10.305 -9.961 1.00 21.00 C ATOM 582 CD1 TYR A 38 -1.114 -9.074 -9.453 1.00 34.03 C ATOM 583 CD2 TYR A 38 -1.510 -10.907 -10.935 1.00 71.41 C ATOM 584 CE1 TYR A 38 -2.288 -8.473 -9.884 1.00 31.30 C ATOM 585 CE2 TYR A 38 -2.674 -10.301 -11.375 1.00 42.33 C ATOM 586 CZ TYR A 38 -3.060 -9.089 -10.841 1.00 34.23 C ATOM 587 OH TYR A 38 -4.239 -8.495 -11.258 1.00 21.45 O ATOM 0 H TYR A 38 2.179 -12.576 -8.242 1.00 23.21 H new ATOM 0 HA TYR A 38 0.614 -10.573 -7.272 1.00 11.13 H new ATOM 0 HB2 TYR A 38 1.427 -10.351 -9.516 1.00 2.05 H new ATOM 0 HB3 TYR A 38 0.775 -11.899 -10.013 1.00 2.05 H new ATOM 0 HD1 TYR A 38 -0.510 -8.578 -8.708 1.00 34.03 H new ATOM 0 HD2 TYR A 38 -1.221 -11.862 -11.349 1.00 71.41 H new ATOM 0 HE1 TYR A 38 -2.595 -7.524 -9.469 1.00 31.30 H new ATOM 0 HE2 TYR A 38 -3.278 -10.776 -12.134 1.00 42.33 H new ATOM 0 HH TYR A 38 -4.665 -9.057 -11.939 1.00 21.45 H new ATOM 597 N ASP A 39 -1.373 -13.092 -8.235 1.00 42.04 N ATOM 598 CA ASP A 39 -2.784 -13.541 -8.269 1.00 43.54 C ATOM 599 C ASP A 39 -3.314 -13.926 -6.874 1.00 13.22 C ATOM 600 O ASP A 39 -4.529 -13.937 -6.644 1.00 44.15 O ATOM 601 CB ASP A 39 -2.979 -14.691 -9.294 1.00 43.32 C ATOM 602 CG ASP A 39 -4.460 -15.058 -9.543 1.00 44.22 C ATOM 603 OD1 ASP A 39 -5.232 -14.178 -9.994 1.00 73.24 O ATOM 604 OD2 ASP A 39 -4.864 -16.212 -9.278 1.00 21.40 O ATOM 0 H ASP A 39 -0.727 -13.722 -8.710 1.00 42.04 H new ATOM 0 HA ASP A 39 -3.381 -12.692 -8.600 1.00 43.54 H new ATOM 0 HB2 ASP A 39 -2.521 -14.403 -10.240 1.00 43.32 H new ATOM 0 HB3 ASP A 39 -2.450 -15.575 -8.939 1.00 43.32 H new ATOM 609 N GLU A 40 -2.389 -14.195 -5.943 1.00 63.40 N ATOM 610 CA GLU A 40 -2.723 -14.455 -4.534 1.00 30.32 C ATOM 611 C GLU A 40 -3.144 -13.151 -3.831 1.00 0.43 C ATOM 612 O GLU A 40 -4.006 -13.158 -2.942 1.00 55.02 O ATOM 613 CB GLU A 40 -1.519 -15.119 -3.826 1.00 41.51 C ATOM 614 CG GLU A 40 -1.031 -16.419 -4.498 1.00 14.33 C ATOM 615 CD GLU A 40 -2.126 -17.502 -4.619 1.00 10.23 C ATOM 616 OE1 GLU A 40 -2.302 -18.295 -3.672 1.00 42.40 O ATOM 617 OE2 GLU A 40 -2.839 -17.543 -5.644 1.00 32.44 O ATOM 0 H GLU A 40 -1.390 -14.239 -6.143 1.00 63.40 H new ATOM 0 HA GLU A 40 -3.569 -15.141 -4.484 1.00 30.32 H new ATOM 0 HB2 GLU A 40 -0.694 -14.408 -3.793 1.00 41.51 H new ATOM 0 HB3 GLU A 40 -1.793 -15.337 -2.794 1.00 41.51 H new ATOM 0 HG2 GLU A 40 -0.653 -16.184 -5.493 1.00 14.33 H new ATOM 0 HG3 GLU A 40 -0.195 -16.822 -3.926 1.00 14.33 H new ATOM 624 N ALA A 41 -2.534 -12.022 -4.251 1.00 35.24 N ATOM 625 CA ALA A 41 -2.905 -10.685 -3.780 1.00 34.14 C ATOM 626 C ALA A 41 -4.189 -10.242 -4.482 1.00 40.43 C ATOM 627 O ALA A 41 -5.113 -9.743 -3.851 1.00 41.33 O ATOM 628 CB ALA A 41 -1.749 -9.720 -4.034 1.00 14.24 C ATOM 0 H ALA A 41 -1.770 -12.020 -4.927 1.00 35.24 H new ATOM 0 HA ALA A 41 -3.098 -10.695 -2.707 1.00 34.14 H new ATOM 0 HB1 ALA A 41 -2.023 -8.724 -3.684 1.00 14.24 H new ATOM 0 HB2 ALA A 41 -0.864 -10.063 -3.497 1.00 14.24 H new ATOM 0 HB3 ALA A 41 -1.534 -9.683 -5.102 1.00 14.24 H new ATOM 634 N HIS A 42 -4.252 -10.517 -5.797 1.00 34.12 N ATOM 635 CA HIS A 42 -5.433 -10.263 -6.631 1.00 50.32 C ATOM 636 C HIS A 42 -6.676 -10.922 -6.020 1.00 43.54 C ATOM 637 O HIS A 42 -7.759 -10.376 -6.084 1.00 21.23 O ATOM 638 CB HIS A 42 -5.188 -10.777 -8.075 1.00 14.03 C ATOM 639 CG HIS A 42 -6.330 -10.564 -9.046 1.00 14.43 C ATOM 640 ND1 HIS A 42 -6.657 -11.469 -10.029 1.00 71.53 N ATOM 641 CD2 HIS A 42 -7.194 -9.534 -9.198 1.00 21.42 C ATOM 642 CE1 HIS A 42 -7.663 -11.002 -10.738 1.00 35.43 C ATOM 643 NE2 HIS A 42 -8.008 -9.836 -10.255 1.00 74.02 N ATOM 0 H HIS A 42 -3.473 -10.927 -6.313 1.00 34.12 H new ATOM 0 HA HIS A 42 -5.608 -9.188 -6.673 1.00 50.32 H new ATOM 0 HB2 HIS A 42 -4.300 -10.284 -8.472 1.00 14.03 H new ATOM 0 HB3 HIS A 42 -4.967 -11.843 -8.030 1.00 14.03 H new ATOM 0 HD1 HIS A 42 -6.192 -12.363 -10.184 1.00 71.53 H new ATOM 0 HD2 HIS A 42 -7.234 -8.638 -8.596 1.00 21.42 H new ATOM 0 HE1 HIS A 42 -8.126 -11.498 -11.578 1.00 35.43 H new ATOM 652 N LYS A 43 -6.471 -12.072 -5.384 1.00 2.34 N ATOM 653 CA LYS A 43 -7.536 -12.840 -4.754 1.00 60.33 C ATOM 654 C LYS A 43 -8.024 -12.165 -3.470 1.00 51.24 C ATOM 655 O LYS A 43 -9.230 -12.160 -3.191 1.00 72.54 O ATOM 656 CB LYS A 43 -7.037 -14.281 -4.455 1.00 21.44 C ATOM 657 CG LYS A 43 -8.124 -15.352 -4.635 1.00 42.30 C ATOM 658 CD LYS A 43 -8.572 -15.418 -6.117 1.00 60.12 C ATOM 659 CE LYS A 43 -7.408 -15.839 -7.043 1.00 71.51 C ATOM 660 NZ LYS A 43 -7.677 -15.535 -8.459 1.00 53.22 N ATOM 0 H LYS A 43 -5.550 -12.500 -5.292 1.00 2.34 H new ATOM 0 HA LYS A 43 -8.380 -12.887 -5.443 1.00 60.33 H new ATOM 0 HB2 LYS A 43 -6.198 -14.511 -5.112 1.00 21.44 H new ATOM 0 HB3 LYS A 43 -6.662 -14.323 -3.433 1.00 21.44 H new ATOM 0 HG2 LYS A 43 -7.743 -16.323 -4.319 1.00 42.30 H new ATOM 0 HG3 LYS A 43 -8.979 -15.123 -3.999 1.00 42.30 H new ATOM 0 HD2 LYS A 43 -9.394 -16.127 -6.218 1.00 60.12 H new ATOM 0 HD3 LYS A 43 -8.951 -14.444 -6.427 1.00 60.12 H new ATOM 0 HE2 LYS A 43 -6.497 -15.328 -6.732 1.00 71.51 H new ATOM 0 HE3 LYS A 43 -7.228 -16.908 -6.932 1.00 71.51 H new ATOM 0 HZ1 LYS A 43 -6.882 -15.867 -9.042 1.00 53.22 H new ATOM 0 HZ2 LYS A 43 -8.550 -16.015 -8.757 1.00 53.22 H new ATOM 0 HZ3 LYS A 43 -7.789 -14.508 -8.578 1.00 53.22 H new ATOM 674 N ALA A 44 -7.066 -11.599 -2.708 1.00 52.14 N ATOM 675 CA ALA A 44 -7.340 -10.946 -1.424 1.00 42.33 C ATOM 676 C ALA A 44 -8.266 -9.731 -1.583 1.00 24.04 C ATOM 677 O ALA A 44 -9.000 -9.419 -0.668 1.00 33.41 O ATOM 678 CB ALA A 44 -6.037 -10.531 -0.742 1.00 31.01 C ATOM 0 H ALA A 44 -6.081 -11.585 -2.972 1.00 52.14 H new ATOM 0 HA ALA A 44 -7.855 -11.673 -0.796 1.00 42.33 H new ATOM 0 HB1 ALA A 44 -6.262 -10.048 0.209 1.00 31.01 H new ATOM 0 HB2 ALA A 44 -5.422 -11.413 -0.565 1.00 31.01 H new ATOM 0 HB3 ALA A 44 -5.496 -9.835 -1.383 1.00 31.01 H new ATOM 684 N TRP A 45 -8.212 -9.065 -2.756 1.00 31.21 N ATOM 685 CA TRP A 45 -9.120 -7.948 -3.110 1.00 53.23 C ATOM 686 C TRP A 45 -10.614 -8.349 -2.891 1.00 51.35 C ATOM 687 O TRP A 45 -11.328 -7.717 -2.111 1.00 13.01 O ATOM 688 CB TRP A 45 -8.827 -7.477 -4.597 1.00 54.04 C ATOM 689 CG TRP A 45 -10.060 -7.140 -5.426 1.00 31.42 C ATOM 690 CD1 TRP A 45 -10.802 -5.990 -5.393 1.00 63.52 C ATOM 691 CD2 TRP A 45 -10.693 -7.991 -6.408 1.00 64.12 C ATOM 692 NE1 TRP A 45 -11.874 -6.097 -6.246 1.00 70.54 N ATOM 693 CE2 TRP A 45 -11.832 -7.315 -6.873 1.00 25.54 C ATOM 694 CE3 TRP A 45 -10.421 -9.270 -6.914 1.00 65.34 C ATOM 695 CZ2 TRP A 45 -12.688 -7.871 -7.815 1.00 72.15 C ATOM 696 CZ3 TRP A 45 -11.263 -9.813 -7.845 1.00 3.34 C ATOM 697 CH2 TRP A 45 -12.392 -9.122 -8.282 1.00 75.50 C ATOM 0 H TRP A 45 -7.536 -9.286 -3.488 1.00 31.21 H new ATOM 0 HA TRP A 45 -8.931 -7.102 -2.449 1.00 53.23 H new ATOM 0 HB2 TRP A 45 -8.181 -6.600 -4.563 1.00 54.04 H new ATOM 0 HB3 TRP A 45 -8.270 -8.263 -5.107 1.00 54.04 H new ATOM 0 HD1 TRP A 45 -10.578 -5.126 -4.786 1.00 63.52 H new ATOM 0 HE1 TRP A 45 -12.588 -5.383 -6.390 1.00 70.54 H new ATOM 0 HE3 TRP A 45 -9.557 -9.820 -6.573 1.00 65.34 H new ATOM 0 HZ2 TRP A 45 -13.557 -7.334 -8.166 1.00 72.15 H new ATOM 0 HZ3 TRP A 45 -11.050 -10.792 -8.248 1.00 3.34 H new ATOM 0 HH2 TRP A 45 -13.047 -9.585 -9.005 1.00 75.50 H new ATOM 708 N LYS A 46 -11.037 -9.430 -3.573 1.00 22.32 N ATOM 709 CA LYS A 46 -12.447 -9.894 -3.587 1.00 53.43 C ATOM 710 C LYS A 46 -12.779 -10.634 -2.295 1.00 62.43 C ATOM 711 O LYS A 46 -13.897 -10.539 -1.781 1.00 15.44 O ATOM 712 CB LYS A 46 -12.666 -10.798 -4.821 1.00 42.15 C ATOM 713 CG LYS A 46 -14.048 -11.462 -4.968 1.00 64.04 C ATOM 714 CD LYS A 46 -14.121 -12.382 -6.217 1.00 15.31 C ATOM 715 CE LYS A 46 -15.462 -13.109 -6.349 1.00 60.15 C ATOM 716 NZ LYS A 46 -15.482 -14.035 -7.512 1.00 34.44 N ATOM 0 H LYS A 46 -10.413 -10.011 -4.133 1.00 22.32 H new ATOM 0 HA LYS A 46 -13.116 -9.036 -3.653 1.00 53.43 H new ATOM 0 HB2 LYS A 46 -12.481 -10.202 -5.714 1.00 42.15 H new ATOM 0 HB3 LYS A 46 -11.913 -11.586 -4.801 1.00 42.15 H new ATOM 0 HG2 LYS A 46 -14.267 -12.046 -4.074 1.00 64.04 H new ATOM 0 HG3 LYS A 46 -14.815 -10.691 -5.040 1.00 64.04 H new ATOM 0 HD2 LYS A 46 -13.949 -11.784 -7.112 1.00 15.31 H new ATOM 0 HD3 LYS A 46 -13.319 -13.118 -6.166 1.00 15.31 H new ATOM 0 HE2 LYS A 46 -15.662 -13.670 -5.436 1.00 60.15 H new ATOM 0 HE3 LYS A 46 -16.262 -12.377 -6.455 1.00 60.15 H new ATOM 0 HZ1 LYS A 46 -16.408 -14.506 -7.565 1.00 34.44 H new ATOM 0 HZ2 LYS A 46 -15.317 -13.497 -8.387 1.00 34.44 H new ATOM 0 HZ3 LYS A 46 -14.735 -14.750 -7.399 1.00 34.44 H new ATOM 730 N ALA A 47 -11.772 -11.354 -1.768 1.00 22.14 N ATOM 731 CA ALA A 47 -11.890 -12.107 -0.520 1.00 52.20 C ATOM 732 C ALA A 47 -12.193 -11.159 0.652 1.00 74.43 C ATOM 733 O ALA A 47 -13.019 -11.472 1.499 1.00 34.32 O ATOM 734 CB ALA A 47 -10.606 -12.917 -0.276 1.00 32.32 C ATOM 0 H ALA A 47 -10.852 -11.426 -2.203 1.00 22.14 H new ATOM 0 HA ALA A 47 -12.722 -12.807 -0.598 1.00 52.20 H new ATOM 0 HB1 ALA A 47 -10.700 -13.476 0.655 1.00 32.32 H new ATOM 0 HB2 ALA A 47 -10.451 -13.611 -1.102 1.00 32.32 H new ATOM 0 HB3 ALA A 47 -9.755 -12.239 -0.208 1.00 32.32 H new ATOM 740 N LYS A 48 -11.544 -9.981 0.653 1.00 45.22 N ATOM 741 CA LYS A 48 -11.742 -8.945 1.676 1.00 3.10 C ATOM 742 C LYS A 48 -13.071 -8.211 1.466 1.00 74.35 C ATOM 743 O LYS A 48 -13.847 -8.056 2.407 1.00 25.31 O ATOM 744 CB LYS A 48 -10.568 -7.931 1.650 1.00 25.23 C ATOM 745 CG LYS A 48 -9.231 -8.448 2.220 1.00 25.10 C ATOM 746 CD LYS A 48 -9.294 -8.791 3.718 1.00 4.25 C ATOM 747 CE LYS A 48 -9.685 -7.591 4.590 1.00 4.13 C ATOM 748 NZ LYS A 48 -9.457 -7.867 6.031 1.00 33.21 N ATOM 0 H LYS A 48 -10.864 -9.722 -0.061 1.00 45.22 H new ATOM 0 HA LYS A 48 -11.770 -9.435 2.650 1.00 3.10 H new ATOM 0 HB2 LYS A 48 -10.406 -7.616 0.619 1.00 25.23 H new ATOM 0 HB3 LYS A 48 -10.864 -7.045 2.211 1.00 25.23 H new ATOM 0 HG2 LYS A 48 -8.927 -9.335 1.665 1.00 25.10 H new ATOM 0 HG3 LYS A 48 -8.461 -7.693 2.060 1.00 25.10 H new ATOM 0 HD2 LYS A 48 -10.014 -9.595 3.871 1.00 4.25 H new ATOM 0 HD3 LYS A 48 -8.323 -9.167 4.041 1.00 4.25 H new ATOM 0 HE2 LYS A 48 -9.106 -6.718 4.290 1.00 4.13 H new ATOM 0 HE3 LYS A 48 -10.735 -7.348 4.427 1.00 4.13 H new ATOM 0 HZ1 LYS A 48 -9.117 -7.003 6.500 1.00 33.21 H new ATOM 0 HZ2 LYS A 48 -10.348 -8.172 6.471 1.00 33.21 H new ATOM 0 HZ3 LYS A 48 -8.746 -8.619 6.132 1.00 33.21 H new ATOM 762 N ALA A 49 -13.314 -7.769 0.220 1.00 5.11 N ATOM 763 CA ALA A 49 -14.499 -6.965 -0.142 1.00 32.02 C ATOM 764 C ALA A 49 -15.825 -7.706 0.157 1.00 13.34 C ATOM 765 O ALA A 49 -16.813 -7.085 0.547 1.00 11.40 O ATOM 766 CB ALA A 49 -14.419 -6.565 -1.620 1.00 70.33 C ATOM 0 H ALA A 49 -12.694 -7.959 -0.568 1.00 5.11 H new ATOM 0 HA ALA A 49 -14.497 -6.068 0.477 1.00 32.02 H new ATOM 0 HB1 ALA A 49 -15.295 -5.972 -1.884 1.00 70.33 H new ATOM 0 HB2 ALA A 49 -13.517 -5.976 -1.789 1.00 70.33 H new ATOM 0 HB3 ALA A 49 -14.388 -7.462 -2.239 1.00 70.33 H new ATOM 772 N GLN A 50 -15.823 -9.035 -0.037 1.00 63.20 N ATOM 773 CA GLN A 50 -16.987 -9.898 0.254 1.00 43.02 C ATOM 774 C GLN A 50 -17.039 -10.314 1.746 1.00 24.43 C ATOM 775 O GLN A 50 -18.119 -10.632 2.267 1.00 4.40 O ATOM 776 CB GLN A 50 -16.958 -11.153 -0.663 1.00 12.31 C ATOM 777 CG GLN A 50 -17.193 -10.852 -2.163 1.00 1.35 C ATOM 778 CD GLN A 50 -17.080 -12.078 -3.081 1.00 62.51 C ATOM 779 OE1 GLN A 50 -17.787 -12.184 -4.087 1.00 33.13 O ATOM 780 NE2 GLN A 50 -16.145 -12.980 -2.792 1.00 62.02 N ATOM 0 H GLN A 50 -15.017 -9.544 -0.399 1.00 63.20 H new ATOM 0 HA GLN A 50 -17.890 -9.323 0.048 1.00 43.02 H new ATOM 0 HB2 GLN A 50 -15.994 -11.648 -0.551 1.00 12.31 H new ATOM 0 HB3 GLN A 50 -17.719 -11.855 -0.322 1.00 12.31 H new ATOM 0 HG2 GLN A 50 -18.184 -10.414 -2.282 1.00 1.35 H new ATOM 0 HG3 GLN A 50 -16.472 -10.102 -2.488 1.00 1.35 H new ATOM 0 HE21 GLN A 50 -15.573 -12.871 -1.955 1.00 62.02 H new ATOM 0 HE22 GLN A 50 -16.001 -13.780 -3.408 1.00 62.02 H new ATOM 789 N ALA A 51 -15.872 -10.317 2.424 1.00 52.11 N ATOM 790 CA ALA A 51 -15.785 -10.681 3.858 1.00 22.10 C ATOM 791 C ALA A 51 -16.348 -9.561 4.743 1.00 63.04 C ATOM 792 O ALA A 51 -17.108 -9.823 5.685 1.00 73.13 O ATOM 793 CB ALA A 51 -14.331 -10.992 4.259 1.00 33.21 C ATOM 0 H ALA A 51 -14.976 -10.072 2.003 1.00 52.11 H new ATOM 0 HA ALA A 51 -16.386 -11.578 4.009 1.00 22.10 H new ATOM 0 HB1 ALA A 51 -14.294 -11.256 5.316 1.00 33.21 H new ATOM 0 HB2 ALA A 51 -13.960 -11.826 3.663 1.00 33.21 H new ATOM 0 HB3 ALA A 51 -13.709 -10.114 4.082 1.00 33.21 H new ATOM 799 N THR A 52 -15.991 -8.319 4.400 1.00 50.33 N ATOM 800 CA THR A 52 -16.262 -7.141 5.222 1.00 24.52 C ATOM 801 C THR A 52 -17.653 -6.556 4.911 1.00 31.54 C ATOM 802 O THR A 52 -17.784 -5.458 4.365 1.00 3.53 O ATOM 803 CB THR A 52 -15.131 -6.084 5.013 1.00 14.23 C ATOM 804 OG1 THR A 52 -15.050 -5.724 3.624 1.00 64.33 O ATOM 805 CG2 THR A 52 -13.767 -6.618 5.476 1.00 3.04 C ATOM 0 H THR A 52 -15.500 -8.104 3.532 1.00 50.33 H new ATOM 0 HA THR A 52 -16.270 -7.434 6.272 1.00 24.52 H new ATOM 0 HB THR A 52 -15.380 -5.209 5.614 1.00 14.23 H new ATOM 0 HG1 THR A 52 -14.590 -6.434 3.128 1.00 64.33 H new ATOM 0 HG21 THR A 52 -13.004 -5.856 5.316 1.00 3.04 H new ATOM 0 HG22 THR A 52 -13.814 -6.866 6.536 1.00 3.04 H new ATOM 0 HG23 THR A 52 -13.513 -7.511 4.905 1.00 3.04 H new ATOM 813 N VAL A 53 -18.698 -7.336 5.235 1.00 23.03 N ATOM 814 CA VAL A 53 -20.097 -6.897 5.110 1.00 45.22 C ATOM 815 C VAL A 53 -20.507 -6.086 6.351 1.00 14.34 C ATOM 816 O VAL A 53 -21.338 -5.182 6.260 1.00 71.02 O ATOM 817 CB VAL A 53 -21.077 -8.108 4.879 1.00 70.13 C ATOM 818 CG1 VAL A 53 -20.794 -8.788 3.514 1.00 44.13 C ATOM 819 CG2 VAL A 53 -21.026 -9.137 6.038 1.00 12.21 C ATOM 0 H VAL A 53 -18.596 -8.287 5.590 1.00 23.03 H new ATOM 0 HA VAL A 53 -20.170 -6.259 4.229 1.00 45.22 H new ATOM 0 HB VAL A 53 -22.090 -7.705 4.862 1.00 70.13 H new ATOM 0 HG11 VAL A 53 -21.482 -9.622 3.374 1.00 44.13 H new ATOM 0 HG12 VAL A 53 -20.933 -8.064 2.711 1.00 44.13 H new ATOM 0 HG13 VAL A 53 -19.768 -9.156 3.497 1.00 44.13 H new ATOM 0 HG21 VAL A 53 -21.719 -9.952 5.831 1.00 12.21 H new ATOM 0 HG22 VAL A 53 -20.015 -9.534 6.128 1.00 12.21 H new ATOM 0 HG23 VAL A 53 -21.308 -8.649 6.971 1.00 12.21 H new ATOM 829 N ASP A 54 -19.902 -6.427 7.507 1.00 51.15 N ATOM 830 CA ASP A 54 -20.063 -5.661 8.762 1.00 1.14 C ATOM 831 C ASP A 54 -19.411 -4.276 8.625 1.00 11.20 C ATOM 832 O ASP A 54 -19.911 -3.278 9.153 1.00 45.14 O ATOM 833 CB ASP A 54 -19.445 -6.435 9.959 1.00 74.22 C ATOM 834 CG ASP A 54 -19.600 -5.705 11.311 1.00 5.41 C ATOM 835 OD1 ASP A 54 -20.716 -5.718 11.874 1.00 10.10 O ATOM 836 OD2 ASP A 54 -18.614 -5.098 11.801 1.00 42.35 O ATOM 0 H ASP A 54 -19.290 -7.238 7.598 1.00 51.15 H new ATOM 0 HA ASP A 54 -21.128 -5.530 8.953 1.00 1.14 H new ATOM 0 HB2 ASP A 54 -19.915 -7.416 10.029 1.00 74.22 H new ATOM 0 HB3 ASP A 54 -18.386 -6.603 9.765 1.00 74.22 H new ATOM 841 N ASN A 55 -18.288 -4.247 7.902 1.00 32.41 N ATOM 842 CA ASN A 55 -17.537 -3.027 7.633 1.00 40.41 C ATOM 843 C ASN A 55 -18.149 -2.342 6.389 1.00 2.21 C ATOM 844 O ASN A 55 -17.892 -2.750 5.251 1.00 52.23 O ATOM 845 CB ASN A 55 -16.038 -3.380 7.441 1.00 55.21 C ATOM 846 CG ASN A 55 -15.065 -2.273 7.853 1.00 25.20 C ATOM 847 OD1 ASN A 55 -13.953 -2.559 8.278 1.00 63.20 O ATOM 848 ND2 ASN A 55 -15.455 -1.012 7.732 1.00 61.34 N ATOM 0 H ASN A 55 -17.874 -5.081 7.485 1.00 32.41 H new ATOM 0 HA ASN A 55 -17.599 -2.329 8.468 1.00 40.41 H new ATOM 0 HB2 ASN A 55 -15.813 -4.277 8.018 1.00 55.21 H new ATOM 0 HB3 ASN A 55 -15.867 -3.624 6.393 1.00 55.21 H new ATOM 0 HD21 ASN A 55 -14.824 -0.255 7.995 1.00 61.34 H new ATOM 0 HD22 ASN A 55 -16.386 -0.798 7.375 1.00 61.34 H new ATOM 855 N ALA A 56 -18.958 -1.305 6.653 1.00 62.50 N ATOM 856 CA ALA A 56 -19.908 -0.707 5.689 1.00 65.34 C ATOM 857 C ALA A 56 -19.253 -0.238 4.371 1.00 11.44 C ATOM 858 O ALA A 56 -19.542 -0.774 3.295 1.00 23.22 O ATOM 859 CB ALA A 56 -20.633 0.458 6.383 1.00 5.51 C ATOM 0 H ALA A 56 -18.974 -0.844 7.563 1.00 62.50 H new ATOM 0 HA ALA A 56 -20.612 -1.485 5.394 1.00 65.34 H new ATOM 0 HB1 ALA A 56 -21.339 0.913 5.688 1.00 5.51 H new ATOM 0 HB2 ALA A 56 -21.171 0.084 7.254 1.00 5.51 H new ATOM 0 HB3 ALA A 56 -19.904 1.204 6.699 1.00 5.51 H new ATOM 865 N HIS A 57 -18.360 0.749 4.477 1.00 43.35 N ATOM 866 CA HIS A 57 -17.760 1.426 3.308 1.00 53.34 C ATOM 867 C HIS A 57 -16.409 0.798 2.911 1.00 2.41 C ATOM 868 O HIS A 57 -15.656 1.388 2.132 1.00 42.52 O ATOM 869 CB HIS A 57 -17.586 2.930 3.630 1.00 54.50 C ATOM 870 CG HIS A 57 -18.872 3.713 3.742 1.00 23.03 C ATOM 871 ND1 HIS A 57 -19.168 4.788 2.933 1.00 21.24 N ATOM 872 CD2 HIS A 57 -19.940 3.575 4.568 1.00 62.35 C ATOM 873 CE1 HIS A 57 -20.352 5.264 3.251 1.00 13.11 C ATOM 874 NE2 HIS A 57 -20.837 4.551 4.239 1.00 2.52 N ATOM 0 H HIS A 57 -18.028 1.107 5.373 1.00 43.35 H new ATOM 0 HA HIS A 57 -18.429 1.304 2.456 1.00 53.34 H new ATOM 0 HB2 HIS A 57 -17.038 3.024 4.568 1.00 54.50 H new ATOM 0 HB3 HIS A 57 -16.969 3.383 2.854 1.00 54.50 H new ATOM 0 HD1 HIS A 57 -18.562 5.158 2.200 1.00 21.24 H new ATOM 0 HD2 HIS A 57 -20.059 2.831 5.342 1.00 62.35 H new ATOM 0 HE1 HIS A 57 -20.843 6.102 2.778 1.00 13.11 H new ATOM 883 N ALA A 58 -16.133 -0.406 3.415 1.00 24.24 N ATOM 884 CA ALA A 58 -14.835 -1.073 3.244 1.00 12.45 C ATOM 885 C ALA A 58 -14.731 -1.735 1.861 1.00 1.31 C ATOM 886 O ALA A 58 -15.218 -2.851 1.645 1.00 72.41 O ATOM 887 CB ALA A 58 -14.594 -2.082 4.368 1.00 54.21 C ATOM 0 H ALA A 58 -16.804 -0.951 3.956 1.00 24.24 H new ATOM 0 HA ALA A 58 -14.053 -0.316 3.302 1.00 12.45 H new ATOM 0 HB1 ALA A 58 -13.628 -2.565 4.223 1.00 54.21 H new ATOM 0 HB2 ALA A 58 -14.601 -1.566 5.328 1.00 54.21 H new ATOM 0 HB3 ALA A 58 -15.381 -2.836 4.356 1.00 54.21 H new ATOM 893 N ARG A 59 -14.148 -0.987 0.914 1.00 72.03 N ATOM 894 CA ARG A 59 -13.905 -1.446 -0.470 1.00 24.33 C ATOM 895 C ARG A 59 -12.400 -1.590 -0.637 1.00 60.32 C ATOM 896 O ARG A 59 -11.670 -0.594 -0.663 1.00 14.14 O ATOM 897 CB ARG A 59 -14.508 -0.479 -1.547 1.00 34.35 C ATOM 898 CG ARG A 59 -16.020 -0.663 -1.831 1.00 34.14 C ATOM 899 CD ARG A 59 -16.889 -0.450 -0.585 1.00 62.45 C ATOM 900 NE ARG A 59 -18.272 -0.913 -0.776 1.00 4.31 N ATOM 901 CZ ARG A 59 -18.865 -1.875 -0.048 1.00 24.20 C ATOM 902 NH1 ARG A 59 -18.213 -2.486 0.945 1.00 13.04 N ATOM 903 NH2 ARG A 59 -20.108 -2.232 -0.335 1.00 14.51 N ATOM 0 H ARG A 59 -13.826 -0.034 1.085 1.00 72.03 H new ATOM 0 HA ARG A 59 -14.409 -2.399 -0.630 1.00 24.33 H new ATOM 0 HB2 ARG A 59 -14.338 0.548 -1.224 1.00 34.35 H new ATOM 0 HB3 ARG A 59 -13.961 -0.615 -2.480 1.00 34.35 H new ATOM 0 HG2 ARG A 59 -16.327 0.038 -2.607 1.00 34.14 H new ATOM 0 HG3 ARG A 59 -16.192 -1.666 -2.221 1.00 34.14 H new ATOM 0 HD2 ARG A 59 -16.445 -0.980 0.258 1.00 62.45 H new ATOM 0 HD3 ARG A 59 -16.896 0.609 -0.328 1.00 62.45 H new ATOM 0 HE ARG A 59 -18.821 -0.472 -1.514 1.00 4.31 H new ATOM 0 HH11 ARG A 59 -17.251 -2.224 1.160 1.00 13.04 H new ATOM 0 HH12 ARG A 59 -18.677 -3.214 1.488 1.00 13.04 H new ATOM 0 HH21 ARG A 59 -20.605 -1.778 -1.102 1.00 14.51 H new ATOM 0 HH22 ARG A 59 -20.568 -2.961 0.210 1.00 14.51 H new ATOM 917 N TYR A 60 -11.942 -2.840 -0.663 1.00 4.45 N ATOM 918 CA TYR A 60 -10.519 -3.178 -0.754 1.00 72.12 C ATOM 919 C TYR A 60 -10.081 -3.257 -2.217 1.00 1.04 C ATOM 920 O TYR A 60 -10.774 -3.837 -3.055 1.00 31.21 O ATOM 921 CB TYR A 60 -10.232 -4.491 0.010 1.00 11.20 C ATOM 922 CG TYR A 60 -10.541 -4.363 1.510 1.00 44.23 C ATOM 923 CD1 TYR A 60 -11.838 -4.523 1.992 1.00 75.20 C ATOM 924 CD2 TYR A 60 -9.548 -4.050 2.435 1.00 70.24 C ATOM 925 CE1 TYR A 60 -12.121 -4.374 3.329 1.00 10.14 C ATOM 926 CE2 TYR A 60 -9.830 -3.910 3.776 1.00 21.34 C ATOM 927 CZ TYR A 60 -11.120 -4.069 4.219 1.00 14.20 C ATOM 928 OH TYR A 60 -11.414 -3.928 5.560 1.00 15.44 O ATOM 0 H TYR A 60 -12.552 -3.656 -0.621 1.00 4.45 H new ATOM 0 HA TYR A 60 -9.932 -2.390 -0.283 1.00 72.12 H new ATOM 0 HB2 TYR A 60 -10.830 -5.297 -0.416 1.00 11.20 H new ATOM 0 HB3 TYR A 60 -9.186 -4.766 -0.123 1.00 11.20 H new ATOM 0 HD1 TYR A 60 -12.634 -4.768 1.304 1.00 75.20 H new ATOM 0 HD2 TYR A 60 -8.533 -3.914 2.093 1.00 70.24 H new ATOM 0 HE1 TYR A 60 -13.135 -4.497 3.681 1.00 10.14 H new ATOM 0 HE2 TYR A 60 -9.041 -3.676 4.475 1.00 21.34 H new ATOM 0 HH TYR A 60 -12.332 -3.601 5.661 1.00 15.44 H new ATOM 938 N PHE A 61 -8.926 -2.641 -2.502 1.00 70.04 N ATOM 939 CA PHE A 61 -8.365 -2.519 -3.855 1.00 63.14 C ATOM 940 C PHE A 61 -6.922 -3.051 -3.873 1.00 73.15 C ATOM 941 O PHE A 61 -6.417 -3.560 -2.867 1.00 23.41 O ATOM 942 CB PHE A 61 -8.390 -1.032 -4.309 1.00 13.02 C ATOM 943 CG PHE A 61 -9.779 -0.388 -4.368 1.00 25.45 C ATOM 944 CD1 PHE A 61 -10.650 -0.670 -5.418 1.00 54.11 C ATOM 945 CD2 PHE A 61 -10.199 0.519 -3.386 1.00 34.12 C ATOM 946 CE1 PHE A 61 -11.898 -0.080 -5.482 1.00 3.13 C ATOM 947 CE2 PHE A 61 -11.450 1.109 -3.456 1.00 34.50 C ATOM 948 CZ PHE A 61 -12.297 0.810 -4.503 1.00 42.24 C ATOM 0 H PHE A 61 -8.345 -2.205 -1.786 1.00 70.04 H new ATOM 0 HA PHE A 61 -8.969 -3.109 -4.545 1.00 63.14 H new ATOM 0 HB2 PHE A 61 -7.767 -0.451 -3.629 1.00 13.02 H new ATOM 0 HB3 PHE A 61 -7.934 -0.963 -5.296 1.00 13.02 H new ATOM 0 HD1 PHE A 61 -10.346 -1.359 -6.192 1.00 54.11 H new ATOM 0 HD2 PHE A 61 -9.540 0.761 -2.565 1.00 34.12 H new ATOM 0 HE1 PHE A 61 -12.563 -0.315 -6.299 1.00 3.13 H new ATOM 0 HE2 PHE A 61 -11.763 1.804 -2.690 1.00 34.50 H new ATOM 0 HZ PHE A 61 -13.272 1.271 -4.558 1.00 42.24 H new ATOM 958 N ILE A 62 -6.257 -2.928 -5.035 1.00 70.43 N ATOM 959 CA ILE A 62 -4.864 -3.374 -5.220 1.00 44.43 C ATOM 960 C ILE A 62 -4.024 -2.186 -5.722 1.00 64.40 C ATOM 961 O ILE A 62 -4.557 -1.264 -6.331 1.00 53.44 O ATOM 962 CB ILE A 62 -4.769 -4.570 -6.250 1.00 54.11 C ATOM 963 CG1 ILE A 62 -5.940 -5.581 -6.065 1.00 74.01 C ATOM 964 CG2 ILE A 62 -3.419 -5.294 -6.109 1.00 71.42 C ATOM 965 CD1 ILE A 62 -5.965 -6.709 -7.075 1.00 73.23 C ATOM 0 H ILE A 62 -6.670 -2.517 -5.872 1.00 70.43 H new ATOM 0 HA ILE A 62 -4.483 -3.731 -4.263 1.00 44.43 H new ATOM 0 HB ILE A 62 -4.846 -4.148 -7.252 1.00 54.11 H new ATOM 0 HG12 ILE A 62 -5.879 -6.008 -5.064 1.00 74.01 H new ATOM 0 HG13 ILE A 62 -6.884 -5.038 -6.123 1.00 74.01 H new ATOM 0 HG21 ILE A 62 -3.370 -6.114 -6.825 1.00 71.42 H new ATOM 0 HG22 ILE A 62 -2.608 -4.593 -6.304 1.00 71.42 H new ATOM 0 HG23 ILE A 62 -3.322 -5.689 -5.098 1.00 71.42 H new ATOM 0 HD11 ILE A 62 -6.813 -7.363 -6.869 1.00 73.23 H new ATOM 0 HD12 ILE A 62 -6.060 -6.296 -8.079 1.00 73.23 H new ATOM 0 HD13 ILE A 62 -5.040 -7.281 -7.004 1.00 73.23 H new ATOM 977 N ILE A 63 -2.713 -2.206 -5.433 1.00 43.13 N ATOM 978 CA ILE A 63 -1.742 -1.212 -5.927 1.00 74.22 C ATOM 979 C ILE A 63 -0.479 -1.958 -6.388 1.00 42.33 C ATOM 980 O ILE A 63 -0.068 -2.929 -5.755 1.00 52.15 O ATOM 981 CB ILE A 63 -1.353 -0.158 -4.821 1.00 52.14 C ATOM 982 CG1 ILE A 63 -2.608 0.597 -4.286 1.00 1.51 C ATOM 983 CG2 ILE A 63 -0.299 0.838 -5.348 1.00 63.32 C ATOM 984 CD1 ILE A 63 -2.308 1.649 -3.245 1.00 2.34 C ATOM 0 H ILE A 63 -2.290 -2.922 -4.842 1.00 43.13 H new ATOM 0 HA ILE A 63 -2.200 -0.664 -6.750 1.00 74.22 H new ATOM 0 HB ILE A 63 -0.914 -0.707 -3.988 1.00 52.14 H new ATOM 0 HG12 ILE A 63 -3.118 1.069 -5.126 1.00 1.51 H new ATOM 0 HG13 ILE A 63 -3.300 -0.130 -3.861 1.00 1.51 H new ATOM 0 HG21 ILE A 63 -0.050 1.553 -4.564 1.00 63.32 H new ATOM 0 HG22 ILE A 63 0.599 0.295 -5.643 1.00 63.32 H new ATOM 0 HG23 ILE A 63 -0.701 1.370 -6.210 1.00 63.32 H new ATOM 0 HD11 ILE A 63 -3.237 2.124 -2.929 1.00 2.34 H new ATOM 0 HD12 ILE A 63 -1.828 1.183 -2.385 1.00 2.34 H new ATOM 0 HD13 ILE A 63 -1.642 2.401 -3.669 1.00 2.34 H new ATOM 996 N HIS A 64 0.138 -1.488 -7.482 1.00 31.34 N ATOM 997 CA HIS A 64 1.363 -2.096 -8.022 1.00 53.54 C ATOM 998 C HIS A 64 2.551 -1.792 -7.088 1.00 43.35 C ATOM 999 O HIS A 64 2.787 -0.645 -6.750 1.00 25.13 O ATOM 1000 CB HIS A 64 1.655 -1.582 -9.462 1.00 10.22 C ATOM 1001 CG HIS A 64 2.052 -0.124 -9.558 1.00 14.12 C ATOM 1002 ND1 HIS A 64 3.368 0.283 -9.598 1.00 21.05 N ATOM 1003 CD2 HIS A 64 1.315 1.011 -9.617 1.00 40.43 C ATOM 1004 CE1 HIS A 64 3.423 1.592 -9.682 1.00 20.54 C ATOM 1005 NE2 HIS A 64 2.192 2.063 -9.695 1.00 22.00 N ATOM 0 H HIS A 64 -0.194 -0.683 -8.013 1.00 31.34 H new ATOM 0 HA HIS A 64 1.219 -3.175 -8.077 1.00 53.54 H new ATOM 0 HB2 HIS A 64 2.452 -2.188 -9.892 1.00 10.22 H new ATOM 0 HB3 HIS A 64 0.768 -1.741 -10.074 1.00 10.22 H new ATOM 0 HD1 HIS A 64 4.176 -0.338 -9.567 1.00 21.05 H new ATOM 0 HD2 HIS A 64 0.237 1.076 -9.605 1.00 40.43 H new ATOM 0 HE1 HIS A 64 4.325 2.183 -9.732 1.00 20.54 H new ATOM 1014 N ALA A 65 3.263 -2.823 -6.649 1.00 14.41 N ATOM 1015 CA ALA A 65 4.521 -2.663 -5.891 1.00 41.54 C ATOM 1016 C ALA A 65 5.708 -3.135 -6.737 1.00 24.15 C ATOM 1017 O ALA A 65 6.811 -3.320 -6.229 1.00 31.23 O ATOM 1018 CB ALA A 65 4.420 -3.439 -4.586 1.00 52.12 C ATOM 0 H ALA A 65 2.995 -3.795 -6.802 1.00 14.41 H new ATOM 0 HA ALA A 65 4.684 -1.611 -5.655 1.00 41.54 H new ATOM 0 HB1 ALA A 65 5.346 -3.325 -4.022 1.00 52.12 H new ATOM 0 HB2 ALA A 65 3.587 -3.055 -3.998 1.00 52.12 H new ATOM 0 HB3 ALA A 65 4.255 -4.495 -4.802 1.00 52.12 H new ATOM 1024 N HIS A 66 5.451 -3.312 -8.043 1.00 44.23 N ATOM 1025 CA HIS A 66 6.457 -3.753 -9.010 1.00 52.24 C ATOM 1026 C HIS A 66 7.428 -2.602 -9.342 1.00 0.11 C ATOM 1027 O HIS A 66 8.590 -2.836 -9.691 1.00 53.41 O ATOM 1028 CB HIS A 66 5.757 -4.289 -10.282 1.00 51.23 C ATOM 1029 CG HIS A 66 6.693 -4.961 -11.257 1.00 65.31 C ATOM 1030 ND1 HIS A 66 7.154 -6.245 -11.064 1.00 11.23 N ATOM 1031 CD2 HIS A 66 7.262 -4.534 -12.414 1.00 41.41 C ATOM 1032 CE1 HIS A 66 7.963 -6.573 -12.045 1.00 23.43 C ATOM 1033 NE2 HIS A 66 8.044 -5.555 -12.876 1.00 2.02 N ATOM 0 H HIS A 66 4.532 -3.151 -8.456 1.00 44.23 H new ATOM 0 HA HIS A 66 7.045 -4.562 -8.576 1.00 52.24 H new ATOM 0 HB2 HIS A 66 4.984 -4.999 -9.988 1.00 51.23 H new ATOM 0 HB3 HIS A 66 5.256 -3.462 -10.785 1.00 51.23 H new ATOM 0 HD2 HIS A 66 7.123 -3.570 -12.881 1.00 41.41 H new ATOM 0 HE1 HIS A 66 8.475 -7.518 -12.152 1.00 23.43 H new ATOM 0 HE2 HIS A 66 8.602 -5.532 -13.729 1.00 2.02 H new ATOM 1042 N LYS A 67 6.917 -1.366 -9.240 1.00 3.14 N ATOM 1043 CA LYS A 67 7.723 -0.139 -9.342 1.00 33.23 C ATOM 1044 C LYS A 67 7.324 0.803 -8.196 1.00 73.03 C ATOM 1045 O LYS A 67 6.167 1.241 -8.117 1.00 2.52 O ATOM 1046 CB LYS A 67 7.527 0.580 -10.703 1.00 52.43 C ATOM 1047 CG LYS A 67 8.488 1.782 -10.920 1.00 5.11 C ATOM 1048 CD LYS A 67 8.081 2.685 -12.101 1.00 11.21 C ATOM 1049 CE LYS A 67 6.817 3.501 -11.798 1.00 41.12 C ATOM 1050 NZ LYS A 67 6.430 4.365 -12.943 1.00 10.04 N ATOM 0 H LYS A 67 5.925 -1.188 -9.083 1.00 3.14 H new ATOM 0 HA LYS A 67 8.776 -0.413 -9.272 1.00 33.23 H new ATOM 0 HB2 LYS A 67 7.673 -0.140 -11.508 1.00 52.43 H new ATOM 0 HB3 LYS A 67 6.498 0.932 -10.773 1.00 52.43 H new ATOM 0 HG2 LYS A 67 8.521 2.380 -10.009 1.00 5.11 H new ATOM 0 HG3 LYS A 67 9.496 1.405 -11.091 1.00 5.11 H new ATOM 0 HD2 LYS A 67 8.901 3.363 -12.337 1.00 11.21 H new ATOM 0 HD3 LYS A 67 7.911 2.070 -12.985 1.00 11.21 H new ATOM 0 HE2 LYS A 67 5.996 2.825 -11.559 1.00 41.12 H new ATOM 0 HE3 LYS A 67 6.986 4.120 -10.917 1.00 41.12 H new ATOM 0 HZ1 LYS A 67 5.572 4.900 -12.700 1.00 10.04 H new ATOM 0 HZ2 LYS A 67 7.203 5.028 -13.155 1.00 10.04 H new ATOM 0 HZ3 LYS A 67 6.244 3.773 -13.777 1.00 10.04 H new ATOM 1064 N LEU A 68 8.271 1.058 -7.296 1.00 34.12 N ATOM 1065 CA LEU A 68 8.109 1.968 -6.166 1.00 2.53 C ATOM 1066 C LEU A 68 8.418 3.420 -6.606 1.00 55.01 C ATOM 1067 O LEU A 68 9.370 3.653 -7.363 1.00 71.42 O ATOM 1068 CB LEU A 68 9.072 1.530 -5.034 1.00 21.02 C ATOM 1069 CG LEU A 68 8.755 0.181 -4.299 1.00 24.35 C ATOM 1070 CD1 LEU A 68 7.409 0.246 -3.569 1.00 50.31 C ATOM 1071 CD2 LEU A 68 8.845 -1.057 -5.217 1.00 33.04 C ATOM 0 H LEU A 68 9.195 0.627 -7.334 1.00 34.12 H new ATOM 0 HA LEU A 68 7.081 1.933 -5.805 1.00 2.53 H new ATOM 0 HB2 LEU A 68 10.075 1.457 -5.454 1.00 21.02 H new ATOM 0 HB3 LEU A 68 9.096 2.323 -4.287 1.00 21.02 H new ATOM 0 HG LEU A 68 9.540 0.053 -3.553 1.00 24.35 H new ATOM 0 HD11 LEU A 68 7.219 -0.704 -3.070 1.00 50.31 H new ATOM 0 HD12 LEU A 68 7.435 1.046 -2.829 1.00 50.31 H new ATOM 0 HD13 LEU A 68 6.614 0.443 -4.288 1.00 50.31 H new ATOM 0 HD21 LEU A 68 8.614 -1.954 -4.642 1.00 33.04 H new ATOM 0 HD22 LEU A 68 8.132 -0.956 -6.035 1.00 33.04 H new ATOM 0 HD23 LEU A 68 9.853 -1.136 -5.623 1.00 33.04 H new ATOM 1083 N LEU A 69 7.610 4.384 -6.131 1.00 64.13 N ATOM 1084 CA LEU A 69 7.837 5.813 -6.367 1.00 1.50 C ATOM 1085 C LEU A 69 8.867 6.303 -5.347 1.00 31.31 C ATOM 1086 O LEU A 69 8.517 6.674 -4.219 1.00 33.34 O ATOM 1087 CB LEU A 69 6.512 6.619 -6.251 1.00 65.12 C ATOM 1088 CG LEU A 69 5.382 6.219 -7.245 1.00 41.31 C ATOM 1089 CD1 LEU A 69 4.121 7.071 -7.015 1.00 51.44 C ATOM 1090 CD2 LEU A 69 5.862 6.303 -8.710 1.00 52.13 C ATOM 0 H LEU A 69 6.780 4.189 -5.571 1.00 64.13 H new ATOM 0 HA LEU A 69 8.211 5.966 -7.379 1.00 1.50 H new ATOM 0 HB2 LEU A 69 6.131 6.510 -5.236 1.00 65.12 H new ATOM 0 HB3 LEU A 69 6.738 7.675 -6.395 1.00 65.12 H new ATOM 0 HG LEU A 69 5.121 5.179 -7.051 1.00 41.31 H new ATOM 0 HD11 LEU A 69 3.346 6.773 -7.721 1.00 51.44 H new ATOM 0 HD12 LEU A 69 3.761 6.921 -5.997 1.00 51.44 H new ATOM 0 HD13 LEU A 69 4.361 8.124 -7.163 1.00 51.44 H new ATOM 0 HD21 LEU A 69 5.048 6.017 -9.376 1.00 52.13 H new ATOM 0 HD22 LEU A 69 6.172 7.324 -8.933 1.00 52.13 H new ATOM 0 HD23 LEU A 69 6.705 5.627 -8.856 1.00 52.13 H new ATOM 1102 N ASP A 70 10.137 6.207 -5.729 1.00 24.43 N ATOM 1103 CA ASP A 70 11.262 6.612 -4.876 1.00 34.44 C ATOM 1104 C ASP A 70 11.577 8.107 -5.080 1.00 73.45 C ATOM 1105 O ASP A 70 11.978 8.505 -6.171 1.00 24.34 O ATOM 1106 CB ASP A 70 12.508 5.751 -5.170 1.00 20.31 C ATOM 1107 CG ASP A 70 13.748 6.198 -4.374 1.00 64.52 C ATOM 1108 OD1 ASP A 70 13.727 6.117 -3.123 1.00 3.54 O ATOM 1109 OD2 ASP A 70 14.740 6.635 -4.991 1.00 73.03 O ATOM 0 H ASP A 70 10.421 5.846 -6.640 1.00 24.43 H new ATOM 0 HA ASP A 70 10.979 6.455 -3.835 1.00 34.44 H new ATOM 0 HB2 ASP A 70 12.287 4.710 -4.935 1.00 20.31 H new ATOM 0 HB3 ASP A 70 12.731 5.796 -6.236 1.00 20.31 H new ATOM 1114 N PRO A 71 11.393 8.960 -4.035 1.00 12.34 N ATOM 1115 CA PRO A 71 11.694 10.408 -4.103 1.00 31.42 C ATOM 1116 C PRO A 71 13.176 10.748 -3.811 1.00 45.20 C ATOM 1117 O PRO A 71 13.550 11.931 -3.808 1.00 43.30 O ATOM 1118 CB PRO A 71 10.751 11.014 -3.016 1.00 44.35 C ATOM 1119 CG PRO A 71 9.994 9.843 -2.435 1.00 13.25 C ATOM 1120 CD PRO A 71 10.826 8.625 -2.714 1.00 51.21 C ATOM 0 HA PRO A 71 11.533 10.807 -5.105 1.00 31.42 H new ATOM 0 HB2 PRO A 71 11.323 11.532 -2.246 1.00 44.35 H new ATOM 0 HB3 PRO A 71 10.069 11.744 -3.452 1.00 44.35 H new ATOM 0 HG2 PRO A 71 9.840 9.972 -1.364 1.00 13.25 H new ATOM 0 HG3 PRO A 71 9.008 9.753 -2.890 1.00 13.25 H new ATOM 0 HD2 PRO A 71 11.599 8.474 -1.961 1.00 51.21 H new ATOM 0 HD3 PRO A 71 10.227 7.715 -2.742 1.00 51.21 H new ATOM 1128 N SER A 72 14.008 9.720 -3.541 1.00 32.04 N ATOM 1129 CA SER A 72 15.442 9.914 -3.237 1.00 70.35 C ATOM 1130 C SER A 72 16.238 10.170 -4.531 1.00 32.33 C ATOM 1131 O SER A 72 17.002 11.141 -4.624 1.00 24.00 O ATOM 1132 CB SER A 72 16.005 8.688 -2.472 1.00 44.45 C ATOM 1133 OG SER A 72 17.361 8.880 -2.088 1.00 53.51 O ATOM 0 H SER A 72 13.710 8.745 -3.527 1.00 32.04 H new ATOM 0 HA SER A 72 15.546 10.790 -2.597 1.00 70.35 H new ATOM 0 HB2 SER A 72 15.399 8.504 -1.585 1.00 44.45 H new ATOM 0 HB3 SER A 72 15.928 7.801 -3.101 1.00 44.45 H new ATOM 0 HG SER A 72 17.680 8.088 -1.607 1.00 53.51 H new ATOM 1227 N GLN B 105 -7.358 13.853 -0.930 1.00 61.03 N ATOM 1228 CA GLN B 105 -7.222 12.715 0.003 1.00 61.45 C ATOM 1229 C GLN B 105 -6.818 11.416 -0.723 1.00 21.21 C ATOM 1230 O GLN B 105 -6.360 10.465 -0.103 1.00 45.34 O ATOM 1231 CB GLN B 105 -8.523 12.536 0.857 1.00 75.21 C ATOM 1232 CG GLN B 105 -9.892 12.503 0.120 1.00 2.45 C ATOM 1233 CD GLN B 105 -9.988 11.519 -1.036 1.00 63.22 C ATOM 1234 OE1 GLN B 105 -9.947 11.905 -2.206 1.00 61.34 O ATOM 1235 NE2 GLN B 105 -9.967 10.239 -0.726 1.00 42.11 N ATOM 0 HA GLN B 105 -6.408 12.945 0.690 1.00 61.45 H new ATOM 0 HB2 GLN B 105 -8.426 11.607 1.419 1.00 75.21 H new ATOM 0 HB3 GLN B 105 -8.557 13.347 1.585 1.00 75.21 H new ATOM 0 HG2 GLN B 105 -10.670 12.263 0.845 1.00 2.45 H new ATOM 0 HG3 GLN B 105 -10.106 13.503 -0.258 1.00 2.45 H new ATOM 0 HE21 GLN B 105 -10.002 9.950 0.252 1.00 42.11 H new ATOM 0 HE22 GLN B 105 -9.916 9.536 -1.464 1.00 42.11 H new ATOM 1244 N LEU B 106 -7.054 11.392 -2.046 1.00 42.21 N ATOM 1245 CA LEU B 106 -6.611 10.315 -2.933 1.00 0.32 C ATOM 1246 C LEU B 106 -5.224 10.711 -3.466 1.00 31.41 C ATOM 1247 O LEU B 106 -5.092 11.650 -4.250 1.00 50.51 O ATOM 1248 CB LEU B 106 -7.635 10.124 -4.085 1.00 21.43 C ATOM 1249 CG LEU B 106 -7.440 8.861 -4.977 1.00 42.24 C ATOM 1250 CD1 LEU B 106 -7.741 7.570 -4.195 1.00 51.25 C ATOM 1251 CD2 LEU B 106 -8.276 8.946 -6.275 1.00 72.11 C ATOM 0 H LEU B 106 -7.564 12.131 -2.530 1.00 42.21 H new ATOM 0 HA LEU B 106 -6.545 9.363 -2.405 1.00 0.32 H new ATOM 0 HB2 LEU B 106 -8.635 10.087 -3.652 1.00 21.43 H new ATOM 0 HB3 LEU B 106 -7.598 11.005 -4.726 1.00 21.43 H new ATOM 0 HG LEU B 106 -6.391 8.829 -5.271 1.00 42.24 H new ATOM 0 HD11 LEU B 106 -7.595 6.708 -4.846 1.00 51.25 H new ATOM 0 HD12 LEU B 106 -7.068 7.497 -3.340 1.00 51.25 H new ATOM 0 HD13 LEU B 106 -8.773 7.589 -3.844 1.00 51.25 H new ATOM 0 HD21 LEU B 106 -8.114 8.048 -6.871 1.00 72.11 H new ATOM 0 HD22 LEU B 106 -9.333 9.028 -6.022 1.00 72.11 H new ATOM 0 HD23 LEU B 106 -7.971 9.822 -6.848 1.00 72.11 H new ATOM 1263 N LEU B 107 -4.203 10.003 -3.027 1.00 25.31 N ATOM 1264 CA LEU B 107 -2.807 10.480 -3.095 1.00 24.40 C ATOM 1265 C LEU B 107 -1.841 9.296 -3.126 1.00 23.43 C ATOM 1266 O LEU B 107 -2.256 8.185 -3.395 1.00 24.40 O ATOM 1267 CB LEU B 107 -2.534 11.476 -1.906 1.00 43.22 C ATOM 1268 CG LEU B 107 -2.476 10.936 -0.402 1.00 74.14 C ATOM 1269 CD1 LEU B 107 -3.290 9.658 -0.135 1.00 65.33 C ATOM 1270 CD2 LEU B 107 -1.036 10.771 0.108 1.00 73.13 C ATOM 0 H LEU B 107 -4.302 9.077 -2.610 1.00 25.31 H new ATOM 0 HA LEU B 107 -2.641 11.031 -4.020 1.00 24.40 H new ATOM 0 HB2 LEU B 107 -1.583 11.969 -2.109 1.00 43.22 H new ATOM 0 HB3 LEU B 107 -3.306 12.244 -1.944 1.00 43.22 H new ATOM 0 HG LEU B 107 -2.965 11.725 0.170 1.00 74.14 H new ATOM 0 HD11 LEU B 107 -3.186 9.373 0.912 1.00 65.33 H new ATOM 0 HD12 LEU B 107 -4.341 9.843 -0.359 1.00 65.33 H new ATOM 0 HD13 LEU B 107 -2.920 8.852 -0.769 1.00 65.33 H new ATOM 0 HD21 LEU B 107 -1.053 10.402 1.134 1.00 73.13 H new ATOM 0 HD22 LEU B 107 -0.505 10.060 -0.525 1.00 73.13 H new ATOM 0 HD23 LEU B 107 -0.527 11.734 0.077 1.00 73.13 H new ATOM 1282 N HIS B 108 -0.554 9.550 -2.876 1.00 34.33 N ATOM 1283 CA HIS B 108 0.487 8.518 -2.895 1.00 64.33 C ATOM 1284 C HIS B 108 0.759 8.023 -1.468 1.00 62.45 C ATOM 1285 O HIS B 108 1.436 8.712 -0.707 1.00 20.55 O ATOM 1286 CB HIS B 108 1.781 9.092 -3.524 1.00 51.13 C ATOM 1287 CG HIS B 108 1.646 9.557 -4.951 1.00 41.31 C ATOM 1288 ND1 HIS B 108 2.726 9.927 -5.718 1.00 31.22 N ATOM 1289 CD2 HIS B 108 0.555 9.775 -5.725 1.00 33.11 C ATOM 1290 CE1 HIS B 108 2.305 10.356 -6.885 1.00 73.24 C ATOM 1291 NE2 HIS B 108 0.997 10.275 -6.915 1.00 72.12 N ATOM 0 H HIS B 108 -0.203 10.481 -2.654 1.00 34.33 H new ATOM 0 HA HIS B 108 0.148 7.675 -3.497 1.00 64.33 H new ATOM 0 HB2 HIS B 108 2.121 9.930 -2.916 1.00 51.13 H new ATOM 0 HB3 HIS B 108 2.558 8.329 -3.479 1.00 51.13 H new ATOM 0 HD2 HIS B 108 -0.473 9.588 -5.451 1.00 33.11 H new ATOM 0 HE1 HIS B 108 2.932 10.716 -7.687 1.00 73.24 H new ATOM 0 HE2 HIS B 108 0.405 10.543 -7.701 1.00 72.12 H new ATOM 1300 N ILE B 109 0.213 6.846 -1.102 1.00 0.11 N ATOM 1301 CA ILE B 109 0.411 6.270 0.250 1.00 63.30 C ATOM 1302 C ILE B 109 1.862 5.783 0.431 1.00 25.13 C ATOM 1303 O ILE B 109 2.570 5.522 -0.546 1.00 3.13 O ATOM 1304 CB ILE B 109 -0.562 5.069 0.553 1.00 4.25 C ATOM 1305 CG1 ILE B 109 -0.251 3.864 -0.386 1.00 72.53 C ATOM 1306 CG2 ILE B 109 -2.039 5.505 0.441 1.00 73.53 C ATOM 1307 CD1 ILE B 109 -1.050 2.608 -0.114 1.00 44.41 C ATOM 0 H ILE B 109 -0.366 6.276 -1.718 1.00 0.11 H new ATOM 0 HA ILE B 109 0.189 7.074 0.952 1.00 63.30 H new ATOM 0 HB ILE B 109 -0.397 4.747 1.581 1.00 4.25 H new ATOM 0 HG12 ILE B 109 -0.429 4.172 -1.416 1.00 72.53 H new ATOM 0 HG13 ILE B 109 0.809 3.625 -0.304 1.00 72.53 H new ATOM 0 HG21 ILE B 109 -2.687 4.655 0.655 1.00 73.53 H new ATOM 0 HG22 ILE B 109 -2.238 6.303 1.157 1.00 73.53 H new ATOM 0 HG23 ILE B 109 -2.236 5.866 -0.568 1.00 73.53 H new ATOM 0 HD11 ILE B 109 -0.758 1.831 -0.821 1.00 44.41 H new ATOM 0 HD12 ILE B 109 -0.855 2.266 0.902 1.00 44.41 H new ATOM 0 HD13 ILE B 109 -2.113 2.821 -0.227 1.00 44.41 H new ATOM 1319 N VAL B 110 2.262 5.592 1.686 1.00 23.25 N ATOM 1320 CA VAL B 110 3.650 5.277 2.054 1.00 71.21 C ATOM 1321 C VAL B 110 3.771 3.848 2.594 1.00 33.23 C ATOM 1322 O VAL B 110 3.014 3.420 3.474 1.00 50.03 O ATOM 1323 CB VAL B 110 4.214 6.341 3.070 1.00 11.21 C ATOM 1324 CG1 VAL B 110 4.678 7.589 2.312 1.00 35.42 C ATOM 1325 CG2 VAL B 110 3.156 6.733 4.133 1.00 34.03 C ATOM 0 H VAL B 110 1.631 5.651 2.486 1.00 23.25 H new ATOM 0 HA VAL B 110 4.262 5.329 1.153 1.00 71.21 H new ATOM 0 HB VAL B 110 5.060 5.891 3.590 1.00 11.21 H new ATOM 0 HG11 VAL B 110 5.067 8.321 3.020 1.00 35.42 H new ATOM 0 HG12 VAL B 110 5.462 7.315 1.606 1.00 35.42 H new ATOM 0 HG13 VAL B 110 3.836 8.020 1.770 1.00 35.42 H new ATOM 0 HG21 VAL B 110 3.581 7.468 4.816 1.00 34.03 H new ATOM 0 HG22 VAL B 110 2.284 7.160 3.638 1.00 34.03 H new ATOM 0 HG23 VAL B 110 2.858 5.847 4.694 1.00 34.03 H new ATOM 1335 N VAL B 111 4.735 3.121 2.017 1.00 12.54 N ATOM 1336 CA VAL B 111 5.025 1.710 2.326 1.00 65.34 C ATOM 1337 C VAL B 111 6.537 1.542 2.596 1.00 33.11 C ATOM 1338 O VAL B 111 7.312 2.500 2.509 1.00 54.00 O ATOM 1339 CB VAL B 111 4.584 0.768 1.134 1.00 71.24 C ATOM 1340 CG1 VAL B 111 3.060 0.864 0.868 1.00 21.00 C ATOM 1341 CG2 VAL B 111 5.402 1.065 -0.153 1.00 13.43 C ATOM 0 H VAL B 111 5.353 3.505 1.303 1.00 12.54 H new ATOM 0 HA VAL B 111 4.459 1.425 3.213 1.00 65.34 H new ATOM 0 HB VAL B 111 4.799 -0.258 1.432 1.00 71.24 H new ATOM 0 HG11 VAL B 111 2.792 0.204 0.043 1.00 21.00 H new ATOM 0 HG12 VAL B 111 2.515 0.565 1.763 1.00 21.00 H new ATOM 0 HG13 VAL B 111 2.800 1.891 0.610 1.00 21.00 H new ATOM 0 HG21 VAL B 111 5.075 0.401 -0.953 1.00 13.43 H new ATOM 0 HG22 VAL B 111 5.244 2.101 -0.454 1.00 13.43 H new ATOM 0 HG23 VAL B 111 6.462 0.902 0.044 1.00 13.43 H new ATOM 1351 N GLY B 112 6.934 0.335 2.987 1.00 72.25 N ATOM 1352 CA GLY B 112 8.343 -0.047 3.010 1.00 70.33 C ATOM 1353 C GLY B 112 8.549 -1.385 3.666 1.00 53.01 C ATOM 1354 O GLY B 112 7.686 -2.253 3.561 1.00 62.42 O ATOM 0 H GLY B 112 6.296 -0.399 3.294 1.00 72.25 H new ATOM 0 HA2 GLY B 112 8.727 -0.079 1.991 1.00 70.33 H new ATOM 0 HA3 GLY B 112 8.916 0.711 3.543 1.00 70.33 H new ATOM 1358 N GLY B 113 9.695 -1.555 4.324 1.00 54.43 N ATOM 1359 CA GLY B 113 10.047 -2.806 4.993 1.00 31.12 C ATOM 1360 C GLY B 113 11.337 -3.339 4.425 1.00 75.10 C ATOM 1361 O GLY B 113 12.064 -2.588 3.755 1.00 23.01 O ATOM 0 H GLY B 113 10.406 -0.828 4.408 1.00 54.43 H new ATOM 0 HA2 GLY B 113 10.152 -2.640 6.065 1.00 31.12 H new ATOM 0 HA3 GLY B 113 9.250 -3.538 4.860 1.00 31.12 H new ATOM 1365 N GLU B 114 11.642 -4.618 4.666 1.00 31.41 N ATOM 1366 CA GLU B 114 12.907 -5.202 4.210 1.00 51.33 C ATOM 1367 C GLU B 114 12.847 -5.638 2.749 1.00 11.52 C ATOM 1368 O GLU B 114 11.840 -6.155 2.251 1.00 61.32 O ATOM 1369 CB GLU B 114 13.389 -6.361 5.116 1.00 33.34 C ATOM 1370 CG GLU B 114 13.874 -5.888 6.498 1.00 24.23 C ATOM 1371 CD GLU B 114 14.786 -6.893 7.211 1.00 22.42 C ATOM 1372 OE1 GLU B 114 14.278 -7.920 7.700 1.00 4.43 O ATOM 1373 OE2 GLU B 114 16.021 -6.652 7.274 1.00 61.51 O ATOM 0 H GLU B 114 11.035 -5.264 5.170 1.00 31.41 H new ATOM 0 HA GLU B 114 13.647 -4.405 4.287 1.00 51.33 H new ATOM 0 HB2 GLU B 114 12.575 -7.073 5.248 1.00 33.34 H new ATOM 0 HB3 GLU B 114 14.199 -6.892 4.616 1.00 33.34 H new ATOM 0 HG2 GLU B 114 14.409 -4.945 6.382 1.00 24.23 H new ATOM 0 HG3 GLU B 114 13.007 -5.688 7.128 1.00 24.23 H new ATOM 1380 N LEU B 115 13.960 -5.364 2.088 1.00 23.04 N ATOM 1381 CA LEU B 115 14.257 -5.753 0.719 1.00 54.41 C ATOM 1382 C LEU B 115 15.279 -6.910 0.783 1.00 52.40 C ATOM 1383 O LEU B 115 15.738 -7.280 1.868 1.00 52.50 O ATOM 1384 CB LEU B 115 14.838 -4.521 -0.053 1.00 42.31 C ATOM 1385 CG LEU B 115 13.836 -3.397 -0.507 1.00 24.01 C ATOM 1386 CD1 LEU B 115 12.809 -3.930 -1.506 1.00 24.51 C ATOM 1387 CD2 LEU B 115 13.135 -2.707 0.676 1.00 15.21 C ATOM 0 H LEU B 115 14.721 -4.836 2.515 1.00 23.04 H new ATOM 0 HA LEU B 115 13.363 -6.083 0.190 1.00 54.41 H new ATOM 0 HB2 LEU B 115 15.596 -4.058 0.579 1.00 42.31 H new ATOM 0 HB3 LEU B 115 15.348 -4.893 -0.942 1.00 42.31 H new ATOM 0 HG LEU B 115 14.440 -2.639 -1.005 1.00 24.01 H new ATOM 0 HD11 LEU B 115 12.133 -3.126 -1.797 1.00 24.51 H new ATOM 0 HD12 LEU B 115 13.323 -4.310 -2.389 1.00 24.51 H new ATOM 0 HD13 LEU B 115 12.237 -4.735 -1.045 1.00 24.51 H new ATOM 0 HD21 LEU B 115 12.456 -1.941 0.300 1.00 15.21 H new ATOM 0 HD22 LEU B 115 12.570 -3.445 1.245 1.00 15.21 H new ATOM 0 HD23 LEU B 115 13.881 -2.245 1.322 1.00 15.21 H new ATOM 1399 N LYS B 116 15.613 -7.496 -0.360 1.00 42.53 N ATOM 1400 CA LYS B 116 16.651 -8.550 -0.438 1.00 21.14 C ATOM 1401 C LYS B 116 18.062 -7.929 -0.372 1.00 65.23 C ATOM 1402 O LYS B 116 19.019 -8.570 0.079 1.00 62.25 O ATOM 1403 CB LYS B 116 16.469 -9.369 -1.732 1.00 61.43 C ATOM 1404 CG LYS B 116 15.153 -10.174 -1.784 1.00 2.33 C ATOM 1405 CD LYS B 116 15.016 -10.983 -3.090 1.00 10.43 C ATOM 1406 CE LYS B 116 13.746 -11.838 -3.119 1.00 62.14 C ATOM 1407 NZ LYS B 116 13.593 -12.576 -4.401 1.00 43.02 N ATOM 0 H LYS B 116 15.185 -7.267 -1.257 1.00 42.53 H new ATOM 0 HA LYS B 116 16.541 -9.219 0.416 1.00 21.14 H new ATOM 0 HB2 LYS B 116 16.503 -8.693 -2.586 1.00 61.43 H new ATOM 0 HB3 LYS B 116 17.308 -10.057 -1.836 1.00 61.43 H new ATOM 0 HG2 LYS B 116 15.110 -10.853 -0.932 1.00 2.33 H new ATOM 0 HG3 LYS B 116 14.308 -9.492 -1.691 1.00 2.33 H new ATOM 0 HD2 LYS B 116 15.009 -10.299 -3.938 1.00 10.43 H new ATOM 0 HD3 LYS B 116 15.887 -11.628 -3.207 1.00 10.43 H new ATOM 0 HE2 LYS B 116 13.770 -12.549 -2.293 1.00 62.14 H new ATOM 0 HE3 LYS B 116 12.877 -11.199 -2.964 1.00 62.14 H new ATOM 0 HZ1 LYS B 116 12.729 -13.154 -4.368 1.00 43.02 H new ATOM 0 HZ2 LYS B 116 13.526 -11.897 -5.186 1.00 43.02 H new ATOM 0 HZ3 LYS B 116 14.417 -13.194 -4.546 1.00 43.02 H new ATOM 1421 N ASP B 117 18.157 -6.668 -0.813 1.00 25.22 N ATOM 1422 CA ASP B 117 19.405 -5.887 -0.819 1.00 21.04 C ATOM 1423 C ASP B 117 19.063 -4.388 -0.687 1.00 63.03 C ATOM 1424 O ASP B 117 17.932 -3.979 -0.973 1.00 1.13 O ATOM 1425 CB ASP B 117 20.220 -6.187 -2.120 1.00 72.05 C ATOM 1426 CG ASP B 117 21.475 -5.309 -2.294 1.00 22.51 C ATOM 1427 OD1 ASP B 117 22.409 -5.418 -1.475 1.00 53.43 O ATOM 1428 OD2 ASP B 117 21.510 -4.472 -3.219 1.00 54.32 O ATOM 0 H ASP B 117 17.358 -6.152 -1.182 1.00 25.22 H new ATOM 0 HA ASP B 117 20.030 -6.171 0.027 1.00 21.04 H new ATOM 0 HB2 ASP B 117 20.521 -7.235 -2.114 1.00 72.05 H new ATOM 0 HB3 ASP B 117 19.570 -6.047 -2.983 1.00 72.05 H new ATOM 1433 N VAL B 118 20.048 -3.592 -0.240 1.00 50.30 N ATOM 1434 CA VAL B 118 19.923 -2.132 -0.075 1.00 73.23 C ATOM 1435 C VAL B 118 19.506 -1.424 -1.391 1.00 61.52 C ATOM 1436 O VAL B 118 18.680 -0.505 -1.373 1.00 4.54 O ATOM 1437 CB VAL B 118 21.263 -1.518 0.479 1.00 3.42 C ATOM 1438 CG1 VAL B 118 21.480 -1.919 1.953 1.00 62.33 C ATOM 1439 CG2 VAL B 118 22.486 -1.937 -0.372 1.00 2.35 C ATOM 0 H VAL B 118 20.967 -3.948 0.021 1.00 50.30 H new ATOM 0 HA VAL B 118 19.128 -1.961 0.650 1.00 73.23 H new ATOM 0 HB VAL B 118 21.169 -0.434 0.416 1.00 3.42 H new ATOM 0 HG11 VAL B 118 22.411 -1.484 2.315 1.00 62.33 H new ATOM 0 HG12 VAL B 118 20.649 -1.552 2.556 1.00 62.33 H new ATOM 0 HG13 VAL B 118 21.533 -3.005 2.031 1.00 62.33 H new ATOM 0 HG21 VAL B 118 23.389 -1.492 0.045 1.00 2.35 H new ATOM 0 HG22 VAL B 118 22.580 -3.023 -0.364 1.00 2.35 H new ATOM 0 HG23 VAL B 118 22.351 -1.592 -1.397 1.00 2.35 H new ATOM 1449 N ALA B 119 20.085 -1.869 -2.515 1.00 63.22 N ATOM 1450 CA ALA B 119 19.753 -1.353 -3.861 1.00 34.24 C ATOM 1451 C ALA B 119 18.802 -2.309 -4.600 1.00 3.00 C ATOM 1452 O ALA B 119 18.146 -1.914 -5.572 1.00 14.32 O ATOM 1453 CB ALA B 119 21.041 -1.135 -4.668 1.00 61.33 C ATOM 0 H ALA B 119 20.798 -2.598 -2.522 1.00 63.22 H new ATOM 0 HA ALA B 119 19.240 -0.398 -3.750 1.00 34.24 H new ATOM 0 HB1 ALA B 119 20.790 -0.755 -5.658 1.00 61.33 H new ATOM 0 HB2 ALA B 119 21.676 -0.414 -4.153 1.00 61.33 H new ATOM 0 HB3 ALA B 119 21.573 -2.081 -4.767 1.00 61.33 H new ATOM 1459 N GLY B 120 18.759 -3.575 -4.141 1.00 24.03 N ATOM 1460 CA GLY B 120 17.884 -4.600 -4.718 1.00 32.34 C ATOM 1461 C GLY B 120 16.436 -4.422 -4.296 1.00 65.13 C ATOM 1462 O GLY B 120 16.057 -4.836 -3.192 1.00 62.21 O ATOM 0 H GLY B 120 19.329 -3.909 -3.364 1.00 24.03 H new ATOM 0 HA2 GLY B 120 17.951 -4.562 -5.805 1.00 32.34 H new ATOM 0 HA3 GLY B 120 18.231 -5.587 -4.411 1.00 32.34 H new ATOM 1466 N VAL B 121 15.627 -3.816 -5.192 1.00 45.14 N ATOM 1467 CA VAL B 121 14.221 -3.448 -4.913 1.00 62.23 C ATOM 1468 C VAL B 121 13.271 -4.652 -5.177 1.00 64.45 C ATOM 1469 O VAL B 121 12.428 -4.652 -6.085 1.00 3.55 O ATOM 1470 CB VAL B 121 13.790 -2.169 -5.740 1.00 74.14 C ATOM 1471 CG1 VAL B 121 12.418 -1.624 -5.282 1.00 15.51 C ATOM 1472 CG2 VAL B 121 14.864 -1.060 -5.647 1.00 71.21 C ATOM 0 H VAL B 121 15.932 -3.567 -6.133 1.00 45.14 H new ATOM 0 HA VAL B 121 14.140 -3.191 -3.857 1.00 62.23 H new ATOM 0 HB VAL B 121 13.696 -2.479 -6.781 1.00 74.14 H new ATOM 0 HG11 VAL B 121 12.159 -0.746 -5.874 1.00 15.51 H new ATOM 0 HG12 VAL B 121 11.657 -2.392 -5.420 1.00 15.51 H new ATOM 0 HG13 VAL B 121 12.469 -1.348 -4.229 1.00 15.51 H new ATOM 0 HG21 VAL B 121 14.543 -0.193 -6.224 1.00 71.21 H new ATOM 0 HG22 VAL B 121 15.000 -0.772 -4.605 1.00 71.21 H new ATOM 0 HG23 VAL B 121 15.807 -1.432 -6.047 1.00 71.21 H new ATOM 1482 N GLU B 122 13.488 -5.707 -4.389 1.00 4.15 N ATOM 1483 CA GLU B 122 12.614 -6.888 -4.284 1.00 61.01 C ATOM 1484 C GLU B 122 12.404 -7.170 -2.795 1.00 41.12 C ATOM 1485 O GLU B 122 13.375 -7.397 -2.079 1.00 41.15 O ATOM 1486 CB GLU B 122 13.251 -8.131 -4.973 1.00 4.00 C ATOM 1487 CG GLU B 122 13.172 -8.150 -6.512 1.00 21.03 C ATOM 1488 CD GLU B 122 13.817 -9.404 -7.140 1.00 25.31 C ATOM 1489 OE1 GLU B 122 13.504 -10.540 -6.707 1.00 22.13 O ATOM 1490 OE2 GLU B 122 14.629 -9.263 -8.080 1.00 53.05 O ATOM 0 H GLU B 122 14.306 -5.769 -3.782 1.00 4.15 H new ATOM 0 HA GLU B 122 11.667 -6.690 -4.787 1.00 61.01 H new ATOM 0 HB2 GLU B 122 14.299 -8.190 -4.680 1.00 4.00 H new ATOM 0 HB3 GLU B 122 12.762 -9.027 -4.590 1.00 4.00 H new ATOM 0 HG2 GLU B 122 12.127 -8.096 -6.816 1.00 21.03 H new ATOM 0 HG3 GLU B 122 13.664 -7.261 -6.905 1.00 21.03 H new ATOM 1497 N PHE B 123 11.150 -7.124 -2.337 1.00 12.41 N ATOM 1498 CA PHE B 123 10.811 -7.296 -0.919 1.00 53.42 C ATOM 1499 C PHE B 123 11.210 -8.702 -0.406 1.00 23.54 C ATOM 1500 O PHE B 123 10.844 -9.718 -1.008 1.00 51.12 O ATOM 1501 CB PHE B 123 9.307 -7.047 -0.713 1.00 40.41 C ATOM 1502 CG PHE B 123 8.851 -5.644 -1.123 1.00 10.21 C ATOM 1503 CD1 PHE B 123 9.412 -4.510 -0.525 1.00 72.33 C ATOM 1504 CD2 PHE B 123 7.859 -5.456 -2.092 1.00 22.35 C ATOM 1505 CE1 PHE B 123 9.000 -3.239 -0.889 1.00 15.11 C ATOM 1506 CE2 PHE B 123 7.452 -4.186 -2.452 1.00 44.31 C ATOM 1507 CZ PHE B 123 8.020 -3.079 -1.850 1.00 10.32 C ATOM 0 H PHE B 123 10.341 -6.967 -2.937 1.00 12.41 H new ATOM 0 HA PHE B 123 11.378 -6.568 -0.339 1.00 53.42 H new ATOM 0 HB2 PHE B 123 8.744 -7.784 -1.286 1.00 40.41 H new ATOM 0 HB3 PHE B 123 9.062 -7.206 0.337 1.00 40.41 H new ATOM 0 HD1 PHE B 123 10.176 -4.627 0.230 1.00 72.33 H new ATOM 0 HD2 PHE B 123 7.406 -6.315 -2.564 1.00 22.35 H new ATOM 0 HE1 PHE B 123 9.445 -2.373 -0.422 1.00 15.11 H new ATOM 0 HE2 PHE B 123 6.689 -4.058 -3.205 1.00 44.31 H new ATOM 0 HZ PHE B 123 7.697 -2.087 -2.131 1.00 10.32 H new ATOM 1517 N ARG B 124 11.973 -8.712 0.699 1.00 41.22 N ATOM 1518 CA ARG B 124 12.504 -9.927 1.342 1.00 31.43 C ATOM 1519 C ARG B 124 11.368 -10.870 1.792 1.00 45.23 C ATOM 1520 O ARG B 124 11.429 -12.081 1.563 1.00 35.40 O ATOM 1521 CB ARG B 124 13.376 -9.502 2.549 1.00 1.23 C ATOM 1522 CG ARG B 124 14.104 -10.650 3.275 1.00 64.14 C ATOM 1523 CD ARG B 124 14.916 -10.155 4.484 1.00 0.30 C ATOM 1524 NE ARG B 124 15.661 -11.261 5.120 1.00 41.10 N ATOM 1525 CZ ARG B 124 15.884 -11.404 6.438 1.00 4.12 C ATOM 1526 NH1 ARG B 124 15.417 -10.517 7.315 1.00 1.13 N ATOM 1527 NH2 ARG B 124 16.589 -12.438 6.873 1.00 60.40 N ATOM 0 H ARG B 124 12.245 -7.856 1.182 1.00 41.22 H new ATOM 0 HA ARG B 124 13.108 -10.480 0.623 1.00 31.43 H new ATOM 0 HB2 ARG B 124 14.120 -8.784 2.203 1.00 1.23 H new ATOM 0 HB3 ARG B 124 12.742 -8.983 3.269 1.00 1.23 H new ATOM 0 HG2 ARG B 124 13.373 -11.387 3.608 1.00 64.14 H new ATOM 0 HG3 ARG B 124 14.770 -11.155 2.575 1.00 64.14 H new ATOM 0 HD2 ARG B 124 15.613 -9.381 4.164 1.00 0.30 H new ATOM 0 HD3 ARG B 124 14.246 -9.699 5.213 1.00 0.30 H new ATOM 0 HE ARG B 124 16.040 -11.980 4.504 1.00 41.10 H new ATOM 0 HH11 ARG B 124 14.880 -9.713 6.990 1.00 1.13 H new ATOM 0 HH12 ARG B 124 15.596 -10.642 8.311 1.00 1.13 H new ATOM 0 HH21 ARG B 124 16.958 -13.119 6.209 1.00 60.40 H new ATOM 0 HH22 ARG B 124 16.762 -12.553 7.872 1.00 60.40 H new ATOM 1541 N ASP B 125 10.335 -10.288 2.417 1.00 52.33 N ATOM 1542 CA ASP B 125 9.151 -11.033 2.868 1.00 71.44 C ATOM 1543 C ASP B 125 7.939 -10.096 2.867 1.00 60.21 C ATOM 1544 O ASP B 125 7.946 -9.060 3.534 1.00 14.24 O ATOM 1545 CB ASP B 125 9.376 -11.643 4.271 1.00 73.44 C ATOM 1546 CG ASP B 125 8.241 -12.590 4.697 1.00 32.35 C ATOM 1547 OD1 ASP B 125 8.274 -13.781 4.319 1.00 45.23 O ATOM 1548 OD2 ASP B 125 7.312 -12.152 5.406 1.00 13.10 O ATOM 0 H ASP B 125 10.296 -9.290 2.624 1.00 52.33 H new ATOM 0 HA ASP B 125 8.968 -11.860 2.182 1.00 71.44 H new ATOM 0 HB2 ASP B 125 10.320 -12.188 4.278 1.00 73.44 H new ATOM 0 HB3 ASP B 125 9.466 -10.839 5.002 1.00 73.44 H new ATOM 1553 N LEU B 126 6.902 -10.501 2.141 1.00 24.24 N ATOM 1554 CA LEU B 126 5.724 -9.684 1.847 1.00 52.44 C ATOM 1555 C LEU B 126 4.768 -9.549 3.059 1.00 32.43 C ATOM 1556 O LEU B 126 3.753 -8.853 2.980 1.00 3.44 O ATOM 1557 CB LEU B 126 4.996 -10.289 0.620 1.00 4.23 C ATOM 1558 CG LEU B 126 5.769 -10.273 -0.737 1.00 71.51 C ATOM 1559 CD1 LEU B 126 6.212 -8.859 -1.117 1.00 23.21 C ATOM 1560 CD2 LEU B 126 6.928 -11.289 -0.789 1.00 21.25 C ATOM 0 H LEU B 126 6.854 -11.432 1.728 1.00 24.24 H new ATOM 0 HA LEU B 126 6.056 -8.670 1.622 1.00 52.44 H new ATOM 0 HB2 LEU B 126 4.740 -11.323 0.853 1.00 4.23 H new ATOM 0 HB3 LEU B 126 4.058 -9.751 0.483 1.00 4.23 H new ATOM 0 HG LEU B 126 5.061 -10.604 -1.497 1.00 71.51 H new ATOM 0 HD11 LEU B 126 6.746 -8.888 -2.067 1.00 23.21 H new ATOM 0 HD12 LEU B 126 5.336 -8.217 -1.213 1.00 23.21 H new ATOM 0 HD13 LEU B 126 6.869 -8.463 -0.343 1.00 23.21 H new ATOM 0 HD21 LEU B 126 7.423 -11.227 -1.758 1.00 21.25 H new ATOM 0 HD22 LEU B 126 7.645 -11.064 0.000 1.00 21.25 H new ATOM 0 HD23 LEU B 126 6.536 -12.296 -0.646 1.00 21.25 H new ATOM 1572 N SER B 127 5.086 -10.236 4.171 1.00 1.33 N ATOM 1573 CA SER B 127 4.393 -10.033 5.461 1.00 43.04 C ATOM 1574 C SER B 127 5.240 -9.118 6.376 1.00 4.21 C ATOM 1575 O SER B 127 4.700 -8.373 7.198 1.00 55.10 O ATOM 1576 CB SER B 127 4.118 -11.394 6.139 1.00 53.14 C ATOM 1577 OG SER B 127 3.330 -12.241 5.304 1.00 61.42 O ATOM 0 H SER B 127 5.822 -10.941 4.204 1.00 1.33 H new ATOM 0 HA SER B 127 3.435 -9.546 5.281 1.00 43.04 H new ATOM 0 HB2 SER B 127 5.063 -11.885 6.369 1.00 53.14 H new ATOM 0 HB3 SER B 127 3.603 -11.233 7.086 1.00 53.14 H new ATOM 0 HG SER B 127 3.174 -13.095 5.759 1.00 61.42 H new ATOM 1583 N LYS B 128 6.577 -9.157 6.192 1.00 41.12 N ATOM 1584 CA LYS B 128 7.538 -8.342 6.975 1.00 60.32 C ATOM 1585 C LYS B 128 7.807 -6.977 6.299 1.00 45.53 C ATOM 1586 O LYS B 128 8.822 -6.320 6.581 1.00 34.14 O ATOM 1587 CB LYS B 128 8.850 -9.138 7.178 1.00 13.45 C ATOM 1588 CG LYS B 128 8.666 -10.458 7.955 1.00 2.52 C ATOM 1589 CD LYS B 128 9.975 -11.259 8.069 1.00 31.11 C ATOM 1590 CE LYS B 128 9.771 -12.647 8.704 1.00 14.23 C ATOM 1591 NZ LYS B 128 8.816 -13.482 7.924 1.00 71.31 N ATOM 0 H LYS B 128 7.024 -9.754 5.496 1.00 41.12 H new ATOM 0 HA LYS B 128 7.101 -8.130 7.951 1.00 60.32 H new ATOM 0 HB2 LYS B 128 9.284 -9.359 6.203 1.00 13.45 H new ATOM 0 HB3 LYS B 128 9.565 -8.511 7.710 1.00 13.45 H new ATOM 0 HG2 LYS B 128 8.289 -10.239 8.954 1.00 2.52 H new ATOM 0 HG3 LYS B 128 7.912 -11.068 7.457 1.00 2.52 H new ATOM 0 HD2 LYS B 128 10.410 -11.379 7.077 1.00 31.11 H new ATOM 0 HD3 LYS B 128 10.691 -10.693 8.665 1.00 31.11 H new ATOM 0 HE2 LYS B 128 10.730 -13.160 8.771 1.00 14.23 H new ATOM 0 HE3 LYS B 128 9.401 -12.529 9.723 1.00 14.23 H new ATOM 0 HZ1 LYS B 128 8.784 -14.441 8.326 1.00 71.31 H new ATOM 0 HZ2 LYS B 128 7.868 -13.057 7.967 1.00 71.31 H new ATOM 0 HZ3 LYS B 128 9.128 -13.533 6.933 1.00 71.31 H new ATOM 1605 N VAL B 129 6.894 -6.553 5.410 1.00 75.31 N ATOM 1606 CA VAL B 129 6.929 -5.223 4.793 1.00 45.11 C ATOM 1607 C VAL B 129 6.061 -4.271 5.634 1.00 71.44 C ATOM 1608 O VAL B 129 4.850 -4.480 5.788 1.00 72.11 O ATOM 1609 CB VAL B 129 6.483 -5.234 3.270 1.00 73.31 C ATOM 1610 CG1 VAL B 129 7.524 -5.980 2.414 1.00 54.24 C ATOM 1611 CG2 VAL B 129 5.070 -5.828 3.065 1.00 72.54 C ATOM 0 H VAL B 129 6.110 -7.127 5.100 1.00 75.31 H new ATOM 0 HA VAL B 129 7.961 -4.873 4.784 1.00 45.11 H new ATOM 0 HB VAL B 129 6.431 -4.196 2.943 1.00 73.31 H new ATOM 0 HG11 VAL B 129 7.205 -5.980 1.372 1.00 54.24 H new ATOM 0 HG12 VAL B 129 8.489 -5.481 2.498 1.00 54.24 H new ATOM 0 HG13 VAL B 129 7.615 -7.008 2.765 1.00 54.24 H new ATOM 0 HG21 VAL B 129 4.818 -5.810 2.005 1.00 72.54 H new ATOM 0 HG22 VAL B 129 5.052 -6.857 3.425 1.00 72.54 H new ATOM 0 HG23 VAL B 129 4.343 -5.237 3.621 1.00 72.54 H new ATOM 1621 N GLU B 130 6.706 -3.270 6.248 1.00 42.43 N ATOM 1622 CA GLU B 130 6.016 -2.277 7.069 1.00 43.32 C ATOM 1623 C GLU B 130 5.367 -1.215 6.175 1.00 55.21 C ATOM 1624 O GLU B 130 6.059 -0.410 5.538 1.00 34.02 O ATOM 1625 CB GLU B 130 6.971 -1.582 8.064 1.00 24.31 C ATOM 1626 CG GLU B 130 6.259 -0.505 8.937 1.00 63.13 C ATOM 1627 CD GLU B 130 7.187 0.427 9.727 1.00 71.35 C ATOM 1628 OE1 GLU B 130 8.357 0.081 9.963 1.00 25.12 O ATOM 1629 OE2 GLU B 130 6.738 1.517 10.126 1.00 3.23 O ATOM 0 H GLU B 130 7.715 -3.130 6.188 1.00 42.43 H new ATOM 0 HA GLU B 130 5.254 -2.807 7.641 1.00 43.32 H new ATOM 0 HB2 GLU B 130 7.418 -2.333 8.715 1.00 24.31 H new ATOM 0 HB3 GLU B 130 7.786 -1.114 7.511 1.00 24.31 H new ATOM 0 HG2 GLU B 130 5.628 0.104 8.289 1.00 63.13 H new ATOM 0 HG3 GLU B 130 5.598 -1.012 9.640 1.00 63.13 H new ATOM 1636 N PHE B 131 4.042 -1.233 6.134 1.00 65.54 N ATOM 1637 CA PHE B 131 3.253 -0.168 5.519 1.00 23.14 C ATOM 1638 C PHE B 131 3.291 1.030 6.474 1.00 74.21 C ATOM 1639 O PHE B 131 2.789 0.938 7.601 1.00 71.52 O ATOM 1640 CB PHE B 131 1.806 -0.653 5.277 1.00 52.52 C ATOM 1641 CG PHE B 131 1.731 -1.929 4.443 1.00 75.02 C ATOM 1642 CD1 PHE B 131 1.675 -1.871 3.053 1.00 2.34 C ATOM 1643 CD2 PHE B 131 1.730 -3.190 5.052 1.00 50.43 C ATOM 1644 CE1 PHE B 131 1.625 -3.024 2.299 1.00 51.42 C ATOM 1645 CE2 PHE B 131 1.677 -4.339 4.295 1.00 71.23 C ATOM 1646 CZ PHE B 131 1.626 -4.254 2.918 1.00 12.02 C ATOM 0 H PHE B 131 3.480 -1.988 6.527 1.00 65.54 H new ATOM 0 HA PHE B 131 3.659 0.117 4.549 1.00 23.14 H new ATOM 0 HB2 PHE B 131 1.322 -0.826 6.238 1.00 52.52 H new ATOM 0 HB3 PHE B 131 1.245 0.135 4.775 1.00 52.52 H new ATOM 0 HD1 PHE B 131 1.671 -0.910 2.559 1.00 2.34 H new ATOM 0 HD2 PHE B 131 1.771 -3.262 6.129 1.00 50.43 H new ATOM 0 HE1 PHE B 131 1.585 -2.962 1.221 1.00 51.42 H new ATOM 0 HE2 PHE B 131 1.675 -5.305 4.778 1.00 71.23 H new ATOM 0 HZ PHE B 131 1.587 -5.155 2.324 1.00 12.02 H new ATOM 1656 N VAL B 132 3.946 2.119 6.048 1.00 35.34 N ATOM 1657 CA VAL B 132 4.181 3.293 6.903 1.00 52.22 C ATOM 1658 C VAL B 132 2.841 3.947 7.306 1.00 4.24 C ATOM 1659 O VAL B 132 2.614 4.262 8.476 1.00 2.21 O ATOM 1660 CB VAL B 132 5.097 4.353 6.197 1.00 53.12 C ATOM 1661 CG1 VAL B 132 5.333 5.598 7.091 1.00 73.52 C ATOM 1662 CG2 VAL B 132 6.433 3.726 5.757 1.00 54.15 C ATOM 0 H VAL B 132 4.326 2.212 5.106 1.00 35.34 H new ATOM 0 HA VAL B 132 4.696 2.943 7.798 1.00 52.22 H new ATOM 0 HB VAL B 132 4.571 4.691 5.304 1.00 53.12 H new ATOM 0 HG11 VAL B 132 5.972 6.308 6.565 1.00 73.52 H new ATOM 0 HG12 VAL B 132 4.377 6.070 7.318 1.00 73.52 H new ATOM 0 HG13 VAL B 132 5.816 5.293 8.019 1.00 73.52 H new ATOM 0 HG21 VAL B 132 7.048 4.483 5.271 1.00 54.15 H new ATOM 0 HG22 VAL B 132 6.958 3.338 6.630 1.00 54.15 H new ATOM 0 HG23 VAL B 132 6.240 2.912 5.058 1.00 54.15 H new ATOM 1672 N GLY B 133 1.964 4.124 6.308 1.00 23.43 N ATOM 1673 CA GLY B 133 0.636 4.692 6.511 1.00 64.43 C ATOM 1674 C GLY B 133 0.139 5.400 5.263 1.00 44.14 C ATOM 1675 O GLY B 133 0.420 4.956 4.136 1.00 71.20 O ATOM 0 H GLY B 133 2.161 3.875 5.339 1.00 23.43 H new ATOM 0 HA2 GLY B 133 -0.062 3.901 6.784 1.00 64.43 H new ATOM 0 HA3 GLY B 133 0.663 5.395 7.344 1.00 64.43 H new ATOM 1679 N ALA B 134 -0.577 6.506 5.470 1.00 34.32 N ATOM 1680 CA ALA B 134 -1.190 7.311 4.409 1.00 52.41 C ATOM 1681 C ALA B 134 -1.673 8.634 5.024 1.00 51.44 C ATOM 1682 O ALA B 134 -2.072 8.673 6.195 1.00 23.52 O ATOM 1683 CB ALA B 134 -2.362 6.561 3.762 1.00 62.42 C ATOM 0 H ALA B 134 -0.752 6.877 6.404 1.00 34.32 H new ATOM 0 HA ALA B 134 -0.456 7.508 3.628 1.00 52.41 H new ATOM 0 HB1 ALA B 134 -2.801 7.178 2.978 1.00 62.42 H new ATOM 0 HB2 ALA B 134 -2.002 5.627 3.330 1.00 62.42 H new ATOM 0 HB3 ALA B 134 -3.117 6.344 4.518 1.00 62.42 H new ATOM 1689 N TYR B 135 -1.638 9.712 4.236 1.00 61.20 N ATOM 1690 CA TYR B 135 -1.946 11.082 4.707 1.00 2.44 C ATOM 1691 C TYR B 135 -2.977 11.733 3.762 1.00 35.54 C ATOM 1692 O TYR B 135 -3.111 11.279 2.638 1.00 32.40 O ATOM 1693 CB TYR B 135 -0.627 11.895 4.747 1.00 14.40 C ATOM 1694 CG TYR B 135 0.381 11.428 5.813 1.00 72.34 C ATOM 1695 CD1 TYR B 135 1.219 10.332 5.581 1.00 40.11 C ATOM 1696 CD2 TYR B 135 0.491 12.075 7.050 1.00 52.24 C ATOM 1697 CE1 TYR B 135 2.120 9.905 6.531 1.00 41.41 C ATOM 1698 CE2 TYR B 135 1.396 11.646 8.004 1.00 34.34 C ATOM 1699 CZ TYR B 135 2.207 10.560 7.739 1.00 11.22 C ATOM 1700 OH TYR B 135 3.115 10.131 8.684 1.00 22.12 O ATOM 0 H TYR B 135 -1.395 9.668 3.246 1.00 61.20 H new ATOM 0 HA TYR B 135 -2.378 11.058 5.707 1.00 2.44 H new ATOM 0 HB2 TYR B 135 -0.152 11.840 3.768 1.00 14.40 H new ATOM 0 HB3 TYR B 135 -0.867 12.943 4.927 1.00 14.40 H new ATOM 0 HD1 TYR B 135 1.158 9.810 4.637 1.00 40.11 H new ATOM 0 HD2 TYR B 135 -0.142 12.924 7.263 1.00 52.24 H new ATOM 0 HE1 TYR B 135 2.758 9.057 6.329 1.00 41.41 H new ATOM 0 HE2 TYR B 135 1.468 12.158 8.952 1.00 34.34 H new ATOM 0 HH TYR B 135 3.052 10.699 9.480 1.00 22.12 H new ATOM 1710 N PRO B 136 -3.730 12.808 4.184 1.00 25.42 N ATOM 1711 CA PRO B 136 -4.779 13.437 3.322 1.00 72.03 C ATOM 1712 C PRO B 136 -4.213 14.341 2.200 1.00 4.15 C ATOM 1713 O PRO B 136 -4.980 14.999 1.488 1.00 23.23 O ATOM 1714 CB PRO B 136 -5.610 14.250 4.345 1.00 42.11 C ATOM 1715 CG PRO B 136 -4.614 14.648 5.398 1.00 4.11 C ATOM 1716 CD PRO B 136 -3.648 13.482 5.514 1.00 31.21 C ATOM 0 HA PRO B 136 -5.352 12.693 2.769 1.00 72.03 H new ATOM 0 HB2 PRO B 136 -6.069 15.123 3.881 1.00 42.11 H new ATOM 0 HB3 PRO B 136 -6.418 13.652 4.767 1.00 42.11 H new ATOM 0 HG2 PRO B 136 -4.092 15.562 5.117 1.00 4.11 H new ATOM 0 HG3 PRO B 136 -5.108 14.843 6.350 1.00 4.11 H new ATOM 0 HD2 PRO B 136 -2.635 13.823 5.726 1.00 31.21 H new ATOM 0 HD3 PRO B 136 -3.933 12.807 6.321 1.00 31.21 H new ATOM 1724 N SER B 137 -2.873 14.351 2.041 1.00 54.25 N ATOM 1725 CA SER B 137 -2.174 15.158 1.022 1.00 71.53 C ATOM 1726 C SER B 137 -0.850 14.471 0.625 1.00 25.14 C ATOM 1727 O SER B 137 -0.213 13.797 1.452 1.00 1.42 O ATOM 1728 CB SER B 137 -1.920 16.612 1.520 1.00 65.21 C ATOM 1729 OG SER B 137 -3.137 17.302 1.801 1.00 51.04 O ATOM 0 H SER B 137 -2.243 13.796 2.620 1.00 54.25 H new ATOM 0 HA SER B 137 -2.814 15.226 0.142 1.00 71.53 H new ATOM 0 HB2 SER B 137 -1.303 16.585 2.418 1.00 65.21 H new ATOM 0 HB3 SER B 137 -1.358 17.161 0.764 1.00 65.21 H new ATOM 0 HG SER B 137 -2.935 18.209 2.112 1.00 51.04 H new ATOM 1735 N TYR B 138 -0.457 14.657 -0.657 1.00 10.54 N ATOM 1736 CA TYR B 138 0.719 14.009 -1.267 1.00 50.22 C ATOM 1737 C TYR B 138 2.026 14.357 -0.531 1.00 41.22 C ATOM 1738 O TYR B 138 2.815 13.458 -0.245 1.00 31.32 O ATOM 1739 CB TYR B 138 0.805 14.378 -2.784 1.00 32.44 C ATOM 1740 CG TYR B 138 2.152 14.034 -3.472 1.00 44.40 C ATOM 1741 CD1 TYR B 138 2.601 12.717 -3.582 1.00 55.24 C ATOM 1742 CD2 TYR B 138 2.982 15.036 -3.990 1.00 44.11 C ATOM 1743 CE1 TYR B 138 3.824 12.413 -4.166 1.00 14.52 C ATOM 1744 CE2 TYR B 138 4.197 14.733 -4.581 1.00 70.05 C ATOM 1745 CZ TYR B 138 4.616 13.424 -4.661 1.00 52.42 C ATOM 1746 OH TYR B 138 5.837 13.125 -5.236 1.00 21.44 O ATOM 0 H TYR B 138 -0.957 15.270 -1.301 1.00 10.54 H new ATOM 0 HA TYR B 138 0.592 12.931 -1.173 1.00 50.22 H new ATOM 0 HB2 TYR B 138 0.003 13.863 -3.313 1.00 32.44 H new ATOM 0 HB3 TYR B 138 0.623 15.447 -2.892 1.00 32.44 H new ATOM 0 HD1 TYR B 138 1.983 11.916 -3.204 1.00 55.24 H new ATOM 0 HD2 TYR B 138 2.668 16.067 -3.927 1.00 44.11 H new ATOM 0 HE1 TYR B 138 4.153 11.386 -4.231 1.00 14.52 H new ATOM 0 HE2 TYR B 138 4.816 15.523 -4.979 1.00 70.05 H new ATOM 0 HH TYR B 138 6.269 13.952 -5.535 1.00 21.44 H new ATOM 1756 N ASP B 139 2.245 15.660 -0.233 1.00 73.21 N ATOM 1757 CA ASP B 139 3.517 16.126 0.371 1.00 30.42 C ATOM 1758 C ASP B 139 3.702 15.592 1.799 1.00 32.22 C ATOM 1759 O ASP B 139 4.835 15.360 2.242 1.00 41.11 O ATOM 1760 CB ASP B 139 3.646 17.672 0.370 1.00 23.10 C ATOM 1761 CG ASP B 139 5.065 18.141 0.765 1.00 61.53 C ATOM 1762 OD1 ASP B 139 6.017 17.831 0.015 1.00 10.44 O ATOM 1763 OD2 ASP B 139 5.242 18.785 1.818 1.00 63.33 O ATOM 0 H ASP B 139 1.564 16.401 -0.399 1.00 73.21 H new ATOM 0 HA ASP B 139 4.308 15.721 -0.260 1.00 30.42 H new ATOM 0 HB2 ASP B 139 3.402 18.054 -0.621 1.00 23.10 H new ATOM 0 HB3 ASP B 139 2.919 18.096 1.063 1.00 23.10 H new ATOM 1768 N GLU B 140 2.578 15.394 2.498 1.00 53.52 N ATOM 1769 CA GLU B 140 2.562 14.854 3.865 1.00 2.35 C ATOM 1770 C GLU B 140 3.091 13.409 3.885 1.00 15.22 C ATOM 1771 O GLU B 140 3.857 13.020 4.776 1.00 51.34 O ATOM 1772 CB GLU B 140 1.123 14.915 4.421 1.00 54.05 C ATOM 1773 CG GLU B 140 0.474 16.308 4.401 1.00 25.44 C ATOM 1774 CD GLU B 140 1.186 17.345 5.284 1.00 52.21 C ATOM 1775 OE1 GLU B 140 0.956 17.349 6.509 1.00 33.32 O ATOM 1776 OE2 GLU B 140 1.968 18.168 4.762 1.00 54.45 O ATOM 0 H GLU B 140 1.650 15.604 2.131 1.00 53.52 H new ATOM 0 HA GLU B 140 3.216 15.456 4.496 1.00 2.35 H new ATOM 0 HB2 GLU B 140 0.498 14.232 3.845 1.00 54.05 H new ATOM 0 HB3 GLU B 140 1.131 14.550 5.448 1.00 54.05 H new ATOM 0 HG2 GLU B 140 0.455 16.673 3.374 1.00 25.44 H new ATOM 0 HG3 GLU B 140 -0.562 16.219 4.727 1.00 25.44 H new ATOM 1783 N ALA B 141 2.679 12.622 2.869 1.00 51.03 N ATOM 1784 CA ALA B 141 3.143 11.250 2.687 1.00 65.14 C ATOM 1785 C ALA B 141 4.594 11.251 2.181 1.00 23.32 C ATOM 1786 O ALA B 141 5.416 10.452 2.625 1.00 30.40 O ATOM 1787 CB ALA B 141 2.199 10.522 1.738 1.00 11.51 C ATOM 0 H ALA B 141 2.016 12.929 2.158 1.00 51.03 H new ATOM 0 HA ALA B 141 3.135 10.718 3.638 1.00 65.14 H new ATOM 0 HB1 ALA B 141 2.542 9.497 1.599 1.00 11.51 H new ATOM 0 HB2 ALA B 141 1.194 10.515 2.159 1.00 11.51 H new ATOM 0 HB3 ALA B 141 2.185 11.033 0.775 1.00 11.51 H new ATOM 1793 N HIS B 142 4.908 12.215 1.294 1.00 41.42 N ATOM 1794 CA HIS B 142 6.263 12.413 0.757 1.00 12.24 C ATOM 1795 C HIS B 142 7.285 12.576 1.894 1.00 43.14 C ATOM 1796 O HIS B 142 8.374 12.015 1.837 1.00 50.44 O ATOM 1797 CB HIS B 142 6.304 13.640 -0.199 1.00 52.12 C ATOM 1798 CG HIS B 142 7.694 14.086 -0.590 1.00 50.32 C ATOM 1799 ND1 HIS B 142 8.132 15.382 -0.443 1.00 74.23 N ATOM 1800 CD2 HIS B 142 8.749 13.393 -1.084 1.00 34.24 C ATOM 1801 CE1 HIS B 142 9.387 15.465 -0.826 1.00 44.00 C ATOM 1802 NE2 HIS B 142 9.782 14.272 -1.220 1.00 10.10 N ATOM 0 H HIS B 142 4.225 12.879 0.930 1.00 41.42 H new ATOM 0 HA HIS B 142 6.532 11.525 0.184 1.00 12.24 H new ATOM 0 HB2 HIS B 142 5.746 13.398 -1.104 1.00 52.12 H new ATOM 0 HB3 HIS B 142 5.790 14.474 0.279 1.00 52.12 H new ATOM 0 HD1 HIS B 142 7.570 16.158 -0.092 1.00 74.23 H new ATOM 0 HD2 HIS B 142 8.768 12.340 -1.325 1.00 34.24 H new ATOM 0 HE1 HIS B 142 9.992 16.360 -0.819 1.00 44.00 H new ATOM 1811 N LYS B 143 6.901 13.329 2.924 1.00 65.52 N ATOM 1812 CA LYS B 143 7.768 13.591 4.073 1.00 1.13 C ATOM 1813 C LYS B 143 7.959 12.319 4.923 1.00 11.12 C ATOM 1814 O LYS B 143 9.052 12.085 5.445 1.00 72.51 O ATOM 1815 CB LYS B 143 7.198 14.742 4.936 1.00 13.33 C ATOM 1816 CG LYS B 143 8.191 15.272 5.996 1.00 22.11 C ATOM 1817 CD LYS B 143 9.479 15.850 5.362 1.00 31.23 C ATOM 1818 CE LYS B 143 9.203 17.111 4.523 1.00 1.24 C ATOM 1819 NZ LYS B 143 10.414 17.574 3.802 1.00 3.24 N ATOM 0 H LYS B 143 5.985 13.773 2.986 1.00 65.52 H new ATOM 0 HA LYS B 143 8.744 13.895 3.695 1.00 1.13 H new ATOM 0 HB2 LYS B 143 6.904 15.564 4.283 1.00 13.33 H new ATOM 0 HB3 LYS B 143 6.295 14.395 5.438 1.00 13.33 H new ATOM 0 HG2 LYS B 143 7.704 16.044 6.591 1.00 22.11 H new ATOM 0 HG3 LYS B 143 8.456 14.464 6.678 1.00 22.11 H new ATOM 0 HD2 LYS B 143 10.193 16.090 6.150 1.00 31.23 H new ATOM 0 HD3 LYS B 143 9.943 15.091 4.732 1.00 31.23 H new ATOM 0 HE2 LYS B 143 8.411 16.902 3.804 1.00 1.24 H new ATOM 0 HE3 LYS B 143 8.841 17.907 5.173 1.00 1.24 H new ATOM 0 HZ1 LYS B 143 10.185 18.425 3.249 1.00 3.24 H new ATOM 0 HZ2 LYS B 143 11.162 17.798 4.489 1.00 3.24 H new ATOM 0 HZ3 LYS B 143 10.745 16.824 3.162 1.00 3.24 H new ATOM 1833 N ALA B 144 6.885 11.500 5.025 1.00 52.25 N ATOM 1834 CA ALA B 144 6.886 10.245 5.804 1.00 23.14 C ATOM 1835 C ALA B 144 7.953 9.248 5.314 1.00 4.34 C ATOM 1836 O ALA B 144 8.493 8.484 6.111 1.00 13.23 O ATOM 1837 CB ALA B 144 5.511 9.592 5.752 1.00 63.12 C ATOM 0 H ALA B 144 5.994 11.694 4.568 1.00 52.25 H new ATOM 0 HA ALA B 144 7.132 10.510 6.832 1.00 23.14 H new ATOM 0 HB1 ALA B 144 5.525 8.668 6.330 1.00 63.12 H new ATOM 0 HB2 ALA B 144 4.769 10.272 6.172 1.00 63.12 H new ATOM 0 HB3 ALA B 144 5.253 9.369 4.717 1.00 63.12 H new ATOM 1843 N TRP B 145 8.225 9.278 3.995 1.00 30.13 N ATOM 1844 CA TRP B 145 9.271 8.468 3.346 1.00 54.02 C ATOM 1845 C TRP B 145 10.654 8.659 4.046 1.00 53.44 C ATOM 1846 O TRP B 145 11.274 7.687 4.487 1.00 1.33 O ATOM 1847 CB TRP B 145 9.313 8.820 1.805 1.00 33.32 C ATOM 1848 CG TRP B 145 10.696 8.835 1.172 1.00 21.31 C ATOM 1849 CD1 TRP B 145 11.435 7.767 0.740 1.00 45.43 C ATOM 1850 CD2 TRP B 145 11.498 10.007 0.914 1.00 21.23 C ATOM 1851 NE1 TRP B 145 12.650 8.202 0.258 1.00 72.50 N ATOM 1852 CE2 TRP B 145 12.714 9.572 0.362 1.00 11.25 C ATOM 1853 CE3 TRP B 145 11.301 11.380 1.112 1.00 61.03 C ATOM 1854 CZ2 TRP B 145 13.728 10.461 0.015 1.00 24.44 C ATOM 1855 CZ3 TRP B 145 12.303 12.255 0.769 1.00 2.24 C ATOM 1856 CH2 TRP B 145 13.505 11.795 0.229 1.00 70.34 C ATOM 0 H TRP B 145 7.716 9.874 3.342 1.00 30.13 H new ATOM 0 HA TRP B 145 9.032 7.409 3.448 1.00 54.02 H new ATOM 0 HB2 TRP B 145 8.695 8.099 1.269 1.00 33.32 H new ATOM 0 HB3 TRP B 145 8.857 9.800 1.662 1.00 33.32 H new ATOM 0 HD1 TRP B 145 11.113 6.736 0.772 1.00 45.43 H new ATOM 0 HE1 TRP B 145 13.386 7.603 -0.117 1.00 72.50 H new ATOM 0 HE3 TRP B 145 10.374 11.745 1.529 1.00 61.03 H new ATOM 0 HZ2 TRP B 145 14.658 10.111 -0.408 1.00 24.44 H new ATOM 0 HZ3 TRP B 145 12.158 13.315 0.919 1.00 2.24 H new ATOM 0 HH2 TRP B 145 14.276 12.507 -0.026 1.00 70.34 H new ATOM 1867 N LYS B 146 11.106 9.928 4.139 1.00 53.52 N ATOM 1868 CA LYS B 146 12.428 10.282 4.721 1.00 2.41 C ATOM 1869 C LYS B 146 12.374 10.278 6.251 1.00 12.53 C ATOM 1870 O LYS B 146 13.375 9.986 6.913 1.00 44.12 O ATOM 1871 CB LYS B 146 12.899 11.651 4.169 1.00 12.35 C ATOM 1872 CG LYS B 146 14.176 12.251 4.805 1.00 22.31 C ATOM 1873 CD LYS B 146 14.533 13.636 4.201 1.00 3.25 C ATOM 1874 CE LYS B 146 15.760 14.287 4.845 1.00 50.21 C ATOM 1875 NZ LYS B 146 16.083 15.602 4.227 1.00 3.41 N ATOM 0 H LYS B 146 10.572 10.735 3.816 1.00 53.52 H new ATOM 0 HA LYS B 146 13.156 9.527 4.425 1.00 2.41 H new ATOM 0 HB2 LYS B 146 13.069 11.546 3.097 1.00 12.35 H new ATOM 0 HB3 LYS B 146 12.087 12.367 4.295 1.00 12.35 H new ATOM 0 HG2 LYS B 146 14.032 12.351 5.881 1.00 22.31 H new ATOM 0 HG3 LYS B 146 15.011 11.566 4.658 1.00 22.31 H new ATOM 0 HD2 LYS B 146 14.712 13.522 3.132 1.00 3.25 H new ATOM 0 HD3 LYS B 146 13.678 14.303 4.312 1.00 3.25 H new ATOM 0 HE2 LYS B 146 15.581 14.422 5.912 1.00 50.21 H new ATOM 0 HE3 LYS B 146 16.617 13.620 4.748 1.00 50.21 H new ATOM 0 HZ1 LYS B 146 16.920 16.008 4.692 1.00 3.41 H new ATOM 0 HZ2 LYS B 146 16.280 15.471 3.214 1.00 3.41 H new ATOM 0 HZ3 LYS B 146 15.276 16.247 4.342 1.00 3.41 H new ATOM 1889 N ALA B 147 11.182 10.566 6.806 1.00 63.33 N ATOM 1890 CA ALA B 147 10.931 10.495 8.258 1.00 61.23 C ATOM 1891 C ALA B 147 11.173 9.064 8.776 1.00 32.03 C ATOM 1892 O ALA B 147 11.584 8.861 9.917 1.00 14.33 O ATOM 1893 CB ALA B 147 9.497 10.954 8.569 1.00 4.12 C ATOM 0 H ALA B 147 10.368 10.854 6.263 1.00 63.33 H new ATOM 0 HA ALA B 147 11.625 11.162 8.769 1.00 61.23 H new ATOM 0 HB1 ALA B 147 9.322 10.898 9.643 1.00 4.12 H new ATOM 0 HB2 ALA B 147 9.363 11.982 8.233 1.00 4.12 H new ATOM 0 HB3 ALA B 147 8.788 10.308 8.052 1.00 4.12 H new ATOM 1899 N LYS B 148 10.919 8.083 7.899 1.00 53.04 N ATOM 1900 CA LYS B 148 11.204 6.673 8.160 1.00 72.53 C ATOM 1901 C LYS B 148 12.669 6.348 7.867 1.00 2.12 C ATOM 1902 O LYS B 148 13.328 5.720 8.690 1.00 15.33 O ATOM 1903 CB LYS B 148 10.277 5.779 7.306 1.00 32.25 C ATOM 1904 CG LYS B 148 8.806 5.761 7.759 1.00 1.33 C ATOM 1905 CD LYS B 148 8.605 5.204 9.188 1.00 43.11 C ATOM 1906 CE LYS B 148 9.259 3.830 9.382 1.00 62.23 C ATOM 1907 NZ LYS B 148 8.917 3.233 10.688 1.00 63.14 N ATOM 0 H LYS B 148 10.506 8.252 6.982 1.00 53.04 H new ATOM 0 HA LYS B 148 11.017 6.475 9.215 1.00 72.53 H new ATOM 0 HB2 LYS B 148 10.320 6.118 6.271 1.00 32.25 H new ATOM 0 HB3 LYS B 148 10.661 4.759 7.324 1.00 32.25 H new ATOM 0 HG2 LYS B 148 8.408 6.775 7.714 1.00 1.33 H new ATOM 0 HG3 LYS B 148 8.226 5.160 7.059 1.00 1.33 H new ATOM 0 HD2 LYS B 148 9.022 5.906 9.910 1.00 43.11 H new ATOM 0 HD3 LYS B 148 7.538 5.128 9.398 1.00 43.11 H new ATOM 0 HE2 LYS B 148 8.940 3.161 8.583 1.00 62.23 H new ATOM 0 HE3 LYS B 148 10.341 3.929 9.301 1.00 62.23 H new ATOM 0 HZ1 LYS B 148 9.731 2.695 11.048 1.00 63.14 H new ATOM 0 HZ2 LYS B 148 8.676 3.987 11.362 1.00 63.14 H new ATOM 0 HZ3 LYS B 148 8.103 2.596 10.576 1.00 63.14 H new ATOM 1921 N ALA B 149 13.159 6.799 6.696 1.00 73.01 N ATOM 1922 CA ALA B 149 14.523 6.497 6.195 1.00 74.23 C ATOM 1923 C ALA B 149 15.629 6.912 7.199 1.00 55.12 C ATOM 1924 O ALA B 149 16.640 6.218 7.349 1.00 22.10 O ATOM 1925 CB ALA B 149 14.732 7.189 4.842 1.00 31.13 C ATOM 0 H ALA B 149 12.619 7.388 6.063 1.00 73.01 H new ATOM 0 HA ALA B 149 14.604 5.417 6.074 1.00 74.23 H new ATOM 0 HB1 ALA B 149 15.733 6.969 4.472 1.00 31.13 H new ATOM 0 HB2 ALA B 149 13.993 6.824 4.129 1.00 31.13 H new ATOM 0 HB3 ALA B 149 14.619 8.266 4.963 1.00 31.13 H new ATOM 1931 N GLN B 150 15.397 8.042 7.883 1.00 32.43 N ATOM 1932 CA GLN B 150 16.263 8.547 8.961 1.00 14.33 C ATOM 1933 C GLN B 150 16.094 7.690 10.239 1.00 73.51 C ATOM 1934 O GLN B 150 17.073 7.366 10.926 1.00 14.22 O ATOM 1935 CB GLN B 150 15.900 10.033 9.258 1.00 73.04 C ATOM 1936 CG GLN B 150 16.236 11.032 8.127 1.00 40.13 C ATOM 1937 CD GLN B 150 15.639 12.439 8.336 1.00 30.42 C ATOM 1938 OE1 GLN B 150 16.253 13.448 7.974 1.00 12.11 O ATOM 1939 NE2 GLN B 150 14.412 12.517 8.852 1.00 64.15 N ATOM 0 H GLN B 150 14.591 8.640 7.701 1.00 32.43 H new ATOM 0 HA GLN B 150 17.304 8.483 8.643 1.00 14.33 H new ATOM 0 HB2 GLN B 150 14.832 10.094 9.469 1.00 73.04 H new ATOM 0 HB3 GLN B 150 16.422 10.344 10.163 1.00 73.04 H new ATOM 0 HG2 GLN B 150 17.319 11.117 8.041 1.00 40.13 H new ATOM 0 HG3 GLN B 150 15.872 10.631 7.181 1.00 40.13 H new ATOM 0 HE21 GLN B 150 13.926 11.669 9.143 1.00 64.15 H new ATOM 0 HE22 GLN B 150 13.959 13.425 8.955 1.00 64.15 H new ATOM 1948 N ALA B 151 14.835 7.308 10.515 1.00 35.20 N ATOM 1949 CA ALA B 151 14.445 6.615 11.763 1.00 24.13 C ATOM 1950 C ALA B 151 14.949 5.151 11.824 1.00 12.43 C ATOM 1951 O ALA B 151 15.164 4.617 12.919 1.00 75.04 O ATOM 1952 CB ALA B 151 12.915 6.665 11.918 1.00 50.01 C ATOM 0 H ALA B 151 14.054 7.470 9.879 1.00 35.20 H new ATOM 0 HA ALA B 151 14.923 7.138 12.591 1.00 24.13 H new ATOM 0 HB1 ALA B 151 12.626 6.155 12.837 1.00 50.01 H new ATOM 0 HB2 ALA B 151 12.587 7.704 11.961 1.00 50.01 H new ATOM 0 HB3 ALA B 151 12.447 6.172 11.066 1.00 50.01 H new ATOM 1958 N THR B 152 15.137 4.515 10.649 1.00 44.33 N ATOM 1959 CA THR B 152 15.477 3.079 10.557 1.00 53.01 C ATOM 1960 C THR B 152 17.003 2.864 10.387 1.00 65.34 C ATOM 1961 O THR B 152 17.520 2.704 9.276 1.00 4.12 O ATOM 1962 CB THR B 152 14.648 2.372 9.418 1.00 51.12 C ATOM 1963 OG1 THR B 152 15.019 0.987 9.306 1.00 22.32 O ATOM 1964 CG2 THR B 152 14.785 3.054 8.041 1.00 54.40 C ATOM 0 H THR B 152 15.058 4.978 9.743 1.00 44.33 H new ATOM 0 HA THR B 152 15.197 2.609 11.500 1.00 53.01 H new ATOM 0 HB THR B 152 13.603 2.459 9.715 1.00 51.12 H new ATOM 0 HG1 THR B 152 15.851 0.912 8.793 1.00 22.32 H new ATOM 0 HG21 THR B 152 14.188 2.514 7.306 1.00 54.40 H new ATOM 0 HG22 THR B 152 14.433 4.083 8.108 1.00 54.40 H new ATOM 0 HG23 THR B 152 15.831 3.047 7.734 1.00 54.40 H new ATOM 1972 N VAL B 153 17.736 2.910 11.512 1.00 70.02 N ATOM 1973 CA VAL B 153 19.183 2.602 11.535 1.00 54.12 C ATOM 1974 C VAL B 153 19.417 1.158 12.026 1.00 14.43 C ATOM 1975 O VAL B 153 20.401 0.505 11.651 1.00 15.53 O ATOM 1976 CB VAL B 153 19.978 3.612 12.433 1.00 75.01 C ATOM 1977 CG1 VAL B 153 19.883 5.054 11.869 1.00 42.53 C ATOM 1978 CG2 VAL B 153 19.522 3.566 13.910 1.00 14.52 C ATOM 0 H VAL B 153 17.351 3.158 12.423 1.00 70.02 H new ATOM 0 HA VAL B 153 19.555 2.699 10.515 1.00 54.12 H new ATOM 0 HB VAL B 153 21.023 3.303 12.410 1.00 75.01 H new ATOM 0 HG11 VAL B 153 20.443 5.734 12.511 1.00 42.53 H new ATOM 0 HG12 VAL B 153 20.300 5.079 10.862 1.00 42.53 H new ATOM 0 HG13 VAL B 153 18.838 5.364 11.837 1.00 42.53 H new ATOM 0 HG21 VAL B 153 20.101 4.283 14.492 1.00 14.52 H new ATOM 0 HG22 VAL B 153 18.464 3.819 13.972 1.00 14.52 H new ATOM 0 HG23 VAL B 153 19.679 2.564 14.308 1.00 14.52 H new ATOM 1988 N ASP B 154 18.493 0.693 12.882 1.00 10.24 N ATOM 1989 CA ASP B 154 18.507 -0.663 13.469 1.00 21.51 C ATOM 1990 C ASP B 154 18.157 -1.728 12.419 1.00 54.21 C ATOM 1991 O ASP B 154 18.766 -2.804 12.383 1.00 34.35 O ATOM 1992 CB ASP B 154 17.510 -0.721 14.672 1.00 4.15 C ATOM 1993 CG ASP B 154 17.167 -2.148 15.159 1.00 42.13 C ATOM 1994 OD1 ASP B 154 18.025 -2.804 15.777 1.00 72.00 O ATOM 1995 OD2 ASP B 154 16.037 -2.623 14.906 1.00 72.33 O ATOM 0 H ASP B 154 17.701 1.255 13.193 1.00 10.24 H new ATOM 0 HA ASP B 154 19.514 -0.878 13.827 1.00 21.51 H new ATOM 0 HB2 ASP B 154 17.934 -0.160 15.505 1.00 4.15 H new ATOM 0 HB3 ASP B 154 16.587 -0.218 14.385 1.00 4.15 H new ATOM 2000 N ASN B 155 17.185 -1.410 11.560 1.00 72.33 N ATOM 2001 CA ASN B 155 16.612 -2.380 10.629 1.00 42.02 C ATOM 2002 C ASN B 155 17.409 -2.356 9.309 1.00 21.42 C ATOM 2003 O ASN B 155 17.451 -1.323 8.629 1.00 61.55 O ATOM 2004 CB ASN B 155 15.112 -2.067 10.409 1.00 12.24 C ATOM 2005 CG ASN B 155 14.309 -3.298 10.029 1.00 42.12 C ATOM 2006 OD1 ASN B 155 13.653 -3.910 10.868 1.00 14.20 O ATOM 2007 ND2 ASN B 155 14.396 -3.705 8.792 1.00 0.31 N ATOM 0 H ASN B 155 16.776 -0.478 11.492 1.00 72.33 H new ATOM 0 HA ASN B 155 16.681 -3.387 11.041 1.00 42.02 H new ATOM 0 HB2 ASN B 155 14.698 -1.634 11.319 1.00 12.24 H new ATOM 0 HB3 ASN B 155 15.012 -1.316 9.625 1.00 12.24 H new ATOM 0 HD21 ASN B 155 13.911 -4.553 8.499 1.00 0.31 H new ATOM 0 HD22 ASN B 155 14.949 -3.175 8.118 1.00 0.31 H new ATOM 2014 N ALA B 156 18.011 -3.513 8.962 1.00 52.42 N ATOM 2015 CA ALA B 156 19.042 -3.634 7.908 1.00 10.44 C ATOM 2016 C ALA B 156 18.527 -3.237 6.510 1.00 3.41 C ATOM 2017 O ALA B 156 18.838 -2.151 6.007 1.00 1.43 O ATOM 2018 CB ALA B 156 19.613 -5.068 7.903 1.00 61.14 C ATOM 0 H ALA B 156 17.792 -4.402 9.412 1.00 52.42 H new ATOM 0 HA ALA B 156 19.836 -2.926 8.145 1.00 10.44 H new ATOM 0 HB1 ALA B 156 20.372 -5.155 7.126 1.00 61.14 H new ATOM 0 HB2 ALA B 156 20.060 -5.285 8.873 1.00 61.14 H new ATOM 0 HB3 ALA B 156 18.810 -5.779 7.707 1.00 61.14 H new ATOM 2024 N HIS B 157 17.681 -4.096 5.925 1.00 22.34 N ATOM 2025 CA HIS B 157 17.291 -4.003 4.499 1.00 64.10 C ATOM 2026 C HIS B 157 16.083 -3.059 4.293 1.00 30.12 C ATOM 2027 O HIS B 157 15.470 -3.040 3.221 1.00 54.32 O ATOM 2028 CB HIS B 157 16.958 -5.420 3.987 1.00 62.44 C ATOM 2029 CG HIS B 157 18.071 -6.435 4.143 1.00 2.10 C ATOM 2030 ND1 HIS B 157 18.300 -7.119 5.324 1.00 62.13 N ATOM 2031 CD2 HIS B 157 19.012 -6.887 3.272 1.00 43.13 C ATOM 2032 CE1 HIS B 157 19.328 -7.932 5.171 1.00 60.14 C ATOM 2033 NE2 HIS B 157 19.774 -7.814 3.936 1.00 12.45 N ATOM 0 H HIS B 157 17.245 -4.875 6.419 1.00 22.34 H new ATOM 0 HA HIS B 157 18.123 -3.582 3.934 1.00 64.10 H new ATOM 0 HB2 HIS B 157 16.078 -5.784 4.517 1.00 62.44 H new ATOM 0 HB3 HIS B 157 16.691 -5.355 2.932 1.00 62.44 H new ATOM 0 HD1 HIS B 157 17.758 -7.011 6.181 1.00 62.13 H new ATOM 0 HD2 HIS B 157 19.137 -6.574 2.246 1.00 43.13 H new ATOM 0 HE1 HIS B 157 19.735 -8.584 5.930 1.00 60.14 H new ATOM 2042 N ALA B 158 15.794 -2.251 5.315 1.00 44.51 N ATOM 2043 CA ALA B 158 14.584 -1.434 5.392 1.00 14.21 C ATOM 2044 C ALA B 158 14.698 -0.182 4.512 1.00 52.14 C ATOM 2045 O ALA B 158 15.293 0.825 4.909 1.00 4.51 O ATOM 2046 CB ALA B 158 14.296 -1.066 6.847 1.00 41.45 C ATOM 0 H ALA B 158 16.405 -2.145 6.125 1.00 44.51 H new ATOM 0 HA ALA B 158 13.747 -2.018 5.010 1.00 14.21 H new ATOM 0 HB1 ALA B 158 13.393 -0.457 6.896 1.00 41.45 H new ATOM 0 HB2 ALA B 158 14.153 -1.975 7.431 1.00 41.45 H new ATOM 0 HB3 ALA B 158 15.136 -0.503 7.253 1.00 41.45 H new ATOM 2052 N ARG B 159 14.169 -0.289 3.286 1.00 3.14 N ATOM 2053 CA ARG B 159 14.094 0.827 2.322 1.00 14.03 C ATOM 2054 C ARG B 159 12.623 1.189 2.156 1.00 13.15 C ATOM 2055 O ARG B 159 11.858 0.462 1.512 1.00 51.12 O ATOM 2056 CB ARG B 159 14.769 0.482 0.950 1.00 0.41 C ATOM 2057 CG ARG B 159 16.292 0.742 0.879 1.00 21.21 C ATOM 2058 CD ARG B 159 17.083 -0.070 1.912 1.00 34.31 C ATOM 2059 NE ARG B 159 18.454 0.423 2.070 1.00 42.04 N ATOM 2060 CZ ARG B 159 18.992 0.849 3.228 1.00 4.21 C ATOM 2061 NH1 ARG B 159 18.278 0.852 4.358 1.00 10.34 N ATOM 2062 NH2 ARG B 159 20.236 1.281 3.239 1.00 3.24 N ATOM 0 H ARG B 159 13.776 -1.160 2.928 1.00 3.14 H new ATOM 0 HA ARG B 159 14.653 1.681 2.705 1.00 14.03 H new ATOM 0 HB2 ARG B 159 14.586 -0.569 0.728 1.00 0.41 H new ATOM 0 HB3 ARG B 159 14.281 1.063 0.167 1.00 0.41 H new ATOM 0 HG2 ARG B 159 16.651 0.498 -0.121 1.00 21.21 H new ATOM 0 HG3 ARG B 159 16.482 1.804 1.035 1.00 21.21 H new ATOM 0 HD2 ARG B 159 16.571 -0.029 2.873 1.00 34.31 H new ATOM 0 HD3 ARG B 159 17.108 -1.116 1.608 1.00 34.31 H new ATOM 0 HE ARG B 159 19.046 0.445 1.239 1.00 42.04 H new ATOM 0 HH11 ARG B 159 17.311 0.528 4.351 1.00 10.34 H new ATOM 0 HH12 ARG B 159 18.700 1.178 5.227 1.00 10.34 H new ATOM 0 HH21 ARG B 159 20.780 1.290 2.376 1.00 3.24 H new ATOM 0 HH22 ARG B 159 20.655 1.606 4.110 1.00 3.24 H new ATOM 2076 N TYR B 160 12.220 2.275 2.825 1.00 33.10 N ATOM 2077 CA TYR B 160 10.842 2.770 2.806 1.00 20.22 C ATOM 2078 C TYR B 160 10.631 3.660 1.580 1.00 31.25 C ATOM 2079 O TYR B 160 11.385 4.610 1.345 1.00 22.21 O ATOM 2080 CB TYR B 160 10.510 3.508 4.127 1.00 14.14 C ATOM 2081 CG TYR B 160 10.574 2.576 5.349 1.00 35.42 C ATOM 2082 CD1 TYR B 160 11.777 2.324 5.995 1.00 21.41 C ATOM 2083 CD2 TYR B 160 9.442 1.912 5.818 1.00 5.43 C ATOM 2084 CE1 TYR B 160 11.845 1.453 7.060 1.00 25.10 C ATOM 2085 CE2 TYR B 160 9.511 1.046 6.892 1.00 60.24 C ATOM 2086 CZ TYR B 160 10.721 0.815 7.503 1.00 73.01 C ATOM 2087 OH TYR B 160 10.813 -0.059 8.568 1.00 74.43 O ATOM 0 H TYR B 160 12.847 2.838 3.399 1.00 33.10 H new ATOM 0 HA TYR B 160 10.154 1.928 2.731 1.00 20.22 H new ATOM 0 HB2 TYR B 160 11.209 4.333 4.265 1.00 14.14 H new ATOM 0 HB3 TYR B 160 9.513 3.943 4.057 1.00 14.14 H new ATOM 0 HD1 TYR B 160 12.675 2.819 5.657 1.00 21.41 H new ATOM 0 HD2 TYR B 160 8.492 2.078 5.332 1.00 5.43 H new ATOM 0 HE1 TYR B 160 12.792 1.273 7.547 1.00 25.10 H new ATOM 0 HE2 TYR B 160 8.619 0.553 7.250 1.00 60.24 H new ATOM 0 HH TYR B 160 9.973 -0.049 9.073 1.00 74.43 H new ATOM 2097 N PHE B 161 9.619 3.303 0.793 1.00 21.44 N ATOM 2098 CA PHE B 161 9.283 3.973 -0.463 1.00 11.52 C ATOM 2099 C PHE B 161 7.852 4.524 -0.392 1.00 34.22 C ATOM 2100 O PHE B 161 7.191 4.483 0.650 1.00 65.33 O ATOM 2101 CB PHE B 161 9.404 2.970 -1.645 1.00 53.44 C ATOM 2102 CG PHE B 161 10.809 2.419 -1.904 1.00 10.11 C ATOM 2103 CD1 PHE B 161 11.786 3.218 -2.492 1.00 61.42 C ATOM 2104 CD2 PHE B 161 11.140 1.095 -1.594 1.00 52.45 C ATOM 2105 CE1 PHE B 161 13.049 2.718 -2.760 1.00 4.00 C ATOM 2106 CE2 PHE B 161 12.404 0.598 -1.863 1.00 63.41 C ATOM 2107 CZ PHE B 161 13.358 1.410 -2.443 1.00 24.10 C ATOM 0 H PHE B 161 8.997 2.525 1.014 1.00 21.44 H new ATOM 0 HA PHE B 161 9.976 4.799 -0.624 1.00 11.52 H new ATOM 0 HB2 PHE B 161 8.733 2.132 -1.457 1.00 53.44 H new ATOM 0 HB3 PHE B 161 9.053 3.461 -2.552 1.00 53.44 H new ATOM 0 HD1 PHE B 161 11.555 4.243 -2.743 1.00 61.42 H new ATOM 0 HD2 PHE B 161 10.400 0.453 -1.139 1.00 52.45 H new ATOM 0 HE1 PHE B 161 13.794 3.352 -3.218 1.00 4.00 H new ATOM 0 HE2 PHE B 161 12.644 -0.426 -1.619 1.00 63.41 H new ATOM 0 HZ PHE B 161 14.345 1.023 -2.649 1.00 24.10 H new ATOM 2117 N ILE B 162 7.393 5.058 -1.524 1.00 40.40 N ATOM 2118 CA ILE B 162 6.010 5.508 -1.711 1.00 13.11 C ATOM 2119 C ILE B 162 5.448 4.781 -2.941 1.00 71.52 C ATOM 2120 O ILE B 162 6.216 4.321 -3.773 1.00 71.12 O ATOM 2121 CB ILE B 162 5.949 7.065 -1.939 1.00 64.24 C ATOM 2122 CG1 ILE B 162 6.853 7.823 -0.919 1.00 70.35 C ATOM 2123 CG2 ILE B 162 4.503 7.581 -1.849 1.00 1.42 C ATOM 2124 CD1 ILE B 162 6.802 9.334 -1.020 1.00 54.20 C ATOM 0 H ILE B 162 7.978 5.193 -2.349 1.00 40.40 H new ATOM 0 HA ILE B 162 5.424 5.281 -0.820 1.00 13.11 H new ATOM 0 HB ILE B 162 6.326 7.261 -2.943 1.00 64.24 H new ATOM 0 HG12 ILE B 162 6.561 7.531 0.090 1.00 70.35 H new ATOM 0 HG13 ILE B 162 7.884 7.499 -1.059 1.00 70.35 H new ATOM 0 HG21 ILE B 162 4.491 8.659 -2.010 1.00 1.42 H new ATOM 0 HG22 ILE B 162 3.895 7.093 -2.610 1.00 1.42 H new ATOM 0 HG23 ILE B 162 4.098 7.357 -0.862 1.00 1.42 H new ATOM 0 HD11 ILE B 162 7.463 9.771 -0.271 1.00 54.20 H new ATOM 0 HD12 ILE B 162 7.125 9.643 -2.014 1.00 54.20 H new ATOM 0 HD13 ILE B 162 5.782 9.676 -0.847 1.00 54.20 H new ATOM 2136 N ILE B 163 4.117 4.618 -3.025 1.00 32.11 N ATOM 2137 CA ILE B 163 3.427 4.217 -4.273 1.00 63.12 C ATOM 2138 C ILE B 163 2.147 5.058 -4.395 1.00 1.14 C ATOM 2139 O ILE B 163 1.625 5.533 -3.383 1.00 31.30 O ATOM 2140 CB ILE B 163 3.035 2.689 -4.346 1.00 24.33 C ATOM 2141 CG1 ILE B 163 4.069 1.763 -3.636 1.00 61.23 C ATOM 2142 CG2 ILE B 163 2.877 2.276 -5.828 1.00 24.43 C ATOM 2143 CD1 ILE B 163 3.634 0.312 -3.532 1.00 23.44 C ATOM 0 H ILE B 163 3.487 4.759 -2.235 1.00 32.11 H new ATOM 0 HA ILE B 163 4.128 4.387 -5.090 1.00 63.12 H new ATOM 0 HB ILE B 163 2.092 2.565 -3.814 1.00 24.33 H new ATOM 0 HG12 ILE B 163 5.014 1.810 -4.177 1.00 61.23 H new ATOM 0 HG13 ILE B 163 4.256 2.148 -2.633 1.00 61.23 H new ATOM 0 HG21 ILE B 163 2.606 1.222 -5.885 1.00 24.43 H new ATOM 0 HG22 ILE B 163 2.095 2.877 -6.292 1.00 24.43 H new ATOM 0 HG23 ILE B 163 3.818 2.438 -6.353 1.00 24.43 H new ATOM 0 HD11 ILE B 163 4.408 -0.265 -3.026 1.00 23.44 H new ATOM 0 HD12 ILE B 163 2.706 0.250 -2.964 1.00 23.44 H new ATOM 0 HD13 ILE B 163 3.475 -0.093 -4.532 1.00 23.44 H new ATOM 2155 N HIS B 164 1.619 5.218 -5.620 1.00 13.50 N ATOM 2156 CA HIS B 164 0.390 5.987 -5.830 1.00 65.11 C ATOM 2157 C HIS B 164 -0.832 5.139 -5.442 1.00 44.14 C ATOM 2158 O HIS B 164 -0.989 4.009 -5.905 1.00 75.33 O ATOM 2159 CB HIS B 164 0.261 6.517 -7.289 1.00 43.02 C ATOM 2160 CG HIS B 164 -0.047 5.502 -8.370 1.00 53.50 C ATOM 2161 ND1 HIS B 164 -1.312 4.989 -8.575 1.00 23.10 N ATOM 2162 CD2 HIS B 164 0.731 4.952 -9.328 1.00 24.32 C ATOM 2163 CE1 HIS B 164 -1.296 4.175 -9.606 1.00 74.54 C ATOM 2164 NE2 HIS B 164 -0.071 4.133 -10.090 1.00 33.20 N ATOM 0 H HIS B 164 2.023 4.827 -6.471 1.00 13.50 H new ATOM 0 HA HIS B 164 0.436 6.865 -5.185 1.00 65.11 H new ATOM 0 HB2 HIS B 164 -0.522 7.275 -7.305 1.00 43.02 H new ATOM 0 HB3 HIS B 164 1.194 7.016 -7.551 1.00 43.02 H new ATOM 0 HD1 HIS B 164 -2.134 5.208 -8.012 1.00 23.10 H new ATOM 0 HD2 HIS B 164 1.788 5.123 -9.470 1.00 24.32 H new ATOM 0 HE1 HIS B 164 -2.145 3.631 -9.992 1.00 74.54 H new ATOM 2173 N ALA B 165 -1.650 5.684 -4.545 1.00 51.41 N ATOM 2174 CA ALA B 165 -3.012 5.183 -4.289 1.00 63.54 C ATOM 2175 C ALA B 165 -4.008 5.997 -5.116 1.00 43.42 C ATOM 2176 O ALA B 165 -5.183 5.670 -5.170 1.00 54.44 O ATOM 2177 CB ALA B 165 -3.338 5.275 -2.802 1.00 32.34 C ATOM 0 H ALA B 165 -1.394 6.487 -3.971 1.00 51.41 H new ATOM 0 HA ALA B 165 -3.078 4.135 -4.582 1.00 63.54 H new ATOM 0 HB1 ALA B 165 -4.347 4.902 -2.627 1.00 32.34 H new ATOM 0 HB2 ALA B 165 -2.626 4.675 -2.236 1.00 32.34 H new ATOM 0 HB3 ALA B 165 -3.275 6.314 -2.479 1.00 32.34 H new ATOM 2183 N HIS B 166 -3.523 7.097 -5.733 1.00 3.22 N ATOM 2184 CA HIS B 166 -4.314 7.867 -6.685 1.00 62.13 C ATOM 2185 C HIS B 166 -4.466 7.023 -7.950 1.00 71.21 C ATOM 2186 O HIS B 166 -3.485 6.771 -8.659 1.00 1.52 O ATOM 2187 CB HIS B 166 -3.691 9.240 -6.992 1.00 1.31 C ATOM 2188 CG HIS B 166 -4.616 10.176 -7.739 1.00 74.55 C ATOM 2189 ND1 HIS B 166 -5.338 11.165 -7.111 1.00 61.33 N ATOM 2190 CD2 HIS B 166 -4.972 10.242 -9.047 1.00 14.32 C ATOM 2191 CE1 HIS B 166 -6.091 11.789 -7.986 1.00 53.25 C ATOM 2192 NE2 HIS B 166 -5.880 11.255 -9.167 1.00 5.43 N ATOM 0 H HIS B 166 -2.583 7.463 -5.580 1.00 3.22 H new ATOM 0 HA HIS B 166 -5.291 8.084 -6.254 1.00 62.13 H new ATOM 0 HB2 HIS B 166 -3.392 9.711 -6.055 1.00 1.31 H new ATOM 0 HB3 HIS B 166 -2.785 9.094 -7.579 1.00 1.31 H new ATOM 0 HD1 HIS B 166 -5.294 11.381 -6.115 1.00 61.33 H new ATOM 0 HD2 HIS B 166 -4.606 9.612 -9.844 1.00 14.32 H new ATOM 0 HE1 HIS B 166 -6.768 12.602 -7.772 1.00 53.25 H new ATOM 2201 N LYS B 167 -5.707 6.609 -8.166 1.00 24.20 N ATOM 2202 CA LYS B 167 -6.110 5.566 -9.128 1.00 24.01 C ATOM 2203 C LYS B 167 -5.610 4.177 -8.648 1.00 1.25 C ATOM 2204 O LYS B 167 -4.418 3.849 -8.771 1.00 40.15 O ATOM 2205 CB LYS B 167 -5.637 5.849 -10.585 1.00 40.03 C ATOM 2206 CG LYS B 167 -6.176 4.839 -11.634 1.00 40.41 C ATOM 2207 CD LYS B 167 -5.494 4.968 -13.017 1.00 44.54 C ATOM 2208 CE LYS B 167 -4.014 4.568 -12.980 1.00 4.42 C ATOM 2209 NZ LYS B 167 -3.388 4.618 -14.329 1.00 45.41 N ATOM 0 H LYS B 167 -6.501 7.001 -7.660 1.00 24.20 H new ATOM 0 HA LYS B 167 -7.200 5.573 -9.160 1.00 24.01 H new ATOM 0 HB2 LYS B 167 -5.951 6.853 -10.869 1.00 40.03 H new ATOM 0 HB3 LYS B 167 -4.547 5.836 -10.611 1.00 40.03 H new ATOM 0 HG2 LYS B 167 -6.032 3.826 -11.259 1.00 40.41 H new ATOM 0 HG3 LYS B 167 -7.250 4.986 -11.751 1.00 40.41 H new ATOM 0 HD2 LYS B 167 -6.019 4.341 -13.738 1.00 44.54 H new ATOM 0 HD3 LYS B 167 -5.581 5.997 -13.367 1.00 44.54 H new ATOM 0 HE2 LYS B 167 -3.475 5.234 -12.306 1.00 4.42 H new ATOM 0 HE3 LYS B 167 -3.921 3.561 -12.575 1.00 4.42 H new ATOM 0 HZ1 LYS B 167 -2.388 4.340 -14.258 1.00 45.41 H new ATOM 0 HZ2 LYS B 167 -3.885 3.964 -14.967 1.00 45.41 H new ATOM 0 HZ3 LYS B 167 -3.453 5.585 -14.706 1.00 45.41 H new ATOM 2223 N LEU B 168 -6.530 3.401 -8.065 1.00 22.10 N ATOM 2224 CA LEU B 168 -6.290 2.025 -7.617 1.00 53.00 C ATOM 2225 C LEU B 168 -6.423 1.049 -8.803 1.00 75.32 C ATOM 2226 O LEU B 168 -7.063 1.361 -9.818 1.00 51.43 O ATOM 2227 CB LEU B 168 -7.327 1.645 -6.524 1.00 72.34 C ATOM 2228 CG LEU B 168 -7.272 2.410 -5.160 1.00 31.32 C ATOM 2229 CD1 LEU B 168 -5.926 2.216 -4.445 1.00 23.54 C ATOM 2230 CD2 LEU B 168 -7.638 3.894 -5.289 1.00 34.21 C ATOM 0 H LEU B 168 -7.483 3.719 -7.888 1.00 22.10 H new ATOM 0 HA LEU B 168 -5.282 1.959 -7.209 1.00 53.00 H new ATOM 0 HB2 LEU B 168 -8.322 1.785 -6.945 1.00 72.34 H new ATOM 0 HB3 LEU B 168 -7.216 0.581 -6.315 1.00 72.34 H new ATOM 0 HG LEU B 168 -8.042 1.960 -4.533 1.00 31.32 H new ATOM 0 HD11 LEU B 168 -5.932 2.764 -3.503 1.00 23.54 H new ATOM 0 HD12 LEU B 168 -5.769 1.156 -4.247 1.00 23.54 H new ATOM 0 HD13 LEU B 168 -5.121 2.590 -5.077 1.00 23.54 H new ATOM 0 HD21 LEU B 168 -7.581 4.369 -4.310 1.00 34.21 H new ATOM 0 HD22 LEU B 168 -6.941 4.383 -5.970 1.00 34.21 H new ATOM 0 HD23 LEU B 168 -8.652 3.986 -5.679 1.00 34.21 H new ATOM 2242 N LEU B 169 -5.833 -0.141 -8.648 1.00 24.12 N ATOM 2243 CA LEU B 169 -6.005 -1.255 -9.579 1.00 54.42 C ATOM 2244 C LEU B 169 -7.260 -2.023 -9.154 1.00 25.04 C ATOM 2245 O LEU B 169 -7.196 -2.889 -8.273 1.00 53.13 O ATOM 2246 CB LEU B 169 -4.755 -2.176 -9.567 1.00 14.11 C ATOM 2247 CG LEU B 169 -3.408 -1.511 -9.981 1.00 13.10 C ATOM 2248 CD1 LEU B 169 -2.233 -2.486 -9.796 1.00 52.23 C ATOM 2249 CD2 LEU B 169 -3.469 -0.968 -11.425 1.00 41.51 C ATOM 0 H LEU B 169 -5.217 -0.357 -7.864 1.00 24.12 H new ATOM 0 HA LEU B 169 -6.119 -0.887 -10.599 1.00 54.42 H new ATOM 0 HB2 LEU B 169 -4.641 -2.586 -8.563 1.00 14.11 H new ATOM 0 HB3 LEU B 169 -4.942 -3.017 -10.235 1.00 14.11 H new ATOM 0 HG LEU B 169 -3.240 -0.660 -9.321 1.00 13.10 H new ATOM 0 HD11 LEU B 169 -1.305 -1.997 -10.092 1.00 52.23 H new ATOM 0 HD12 LEU B 169 -2.169 -2.784 -8.749 1.00 52.23 H new ATOM 0 HD13 LEU B 169 -2.392 -3.369 -10.415 1.00 52.23 H new ATOM 0 HD21 LEU B 169 -2.514 -0.511 -11.682 1.00 41.51 H new ATOM 0 HD22 LEU B 169 -3.676 -1.787 -12.113 1.00 41.51 H new ATOM 0 HD23 LEU B 169 -4.260 -0.222 -11.500 1.00 41.51 H new ATOM 2261 N ASP B 170 -8.412 -1.627 -9.710 1.00 1.54 N ATOM 2262 CA ASP B 170 -9.711 -2.256 -9.390 1.00 61.40 C ATOM 2263 C ASP B 170 -10.061 -3.337 -10.430 1.00 73.20 C ATOM 2264 O ASP B 170 -10.340 -3.019 -11.592 1.00 74.31 O ATOM 2265 CB ASP B 170 -10.856 -1.225 -9.309 1.00 32.03 C ATOM 2266 CG ASP B 170 -12.222 -1.879 -9.005 1.00 13.34 C ATOM 2267 OD1 ASP B 170 -12.379 -2.464 -7.908 1.00 63.35 O ATOM 2268 OD2 ASP B 170 -13.139 -1.824 -9.863 1.00 1.25 O ATOM 0 H ASP B 170 -8.476 -0.869 -10.389 1.00 1.54 H new ATOM 0 HA ASP B 170 -9.605 -2.715 -8.407 1.00 61.40 H new ATOM 0 HB2 ASP B 170 -10.627 -0.493 -8.534 1.00 32.03 H new ATOM 0 HB3 ASP B 170 -10.919 -0.682 -10.252 1.00 32.03 H new ATOM 2273 N PRO B 171 -10.050 -4.632 -10.022 1.00 33.25 N ATOM 2274 CA PRO B 171 -10.427 -5.766 -10.890 1.00 34.43 C ATOM 2275 C PRO B 171 -11.952 -6.016 -10.956 1.00 45.54 C ATOM 2276 O PRO B 171 -12.401 -6.843 -11.760 1.00 54.21 O ATOM 2277 CB PRO B 171 -9.699 -6.969 -10.223 1.00 42.54 C ATOM 2278 CG PRO B 171 -8.895 -6.381 -9.092 1.00 23.23 C ATOM 2279 CD PRO B 171 -9.609 -5.127 -8.702 1.00 1.53 C ATOM 0 HA PRO B 171 -10.147 -5.588 -11.928 1.00 34.43 H new ATOM 0 HB2 PRO B 171 -10.414 -7.704 -9.854 1.00 42.54 H new ATOM 0 HB3 PRO B 171 -9.054 -7.482 -10.937 1.00 42.54 H new ATOM 0 HG2 PRO B 171 -8.833 -7.074 -8.253 1.00 23.23 H new ATOM 0 HG3 PRO B 171 -7.873 -6.169 -9.406 1.00 23.23 H new ATOM 0 HD2 PRO B 171 -10.447 -5.321 -8.033 1.00 1.53 H new ATOM 0 HD3 PRO B 171 -8.953 -4.420 -8.194 1.00 1.53 H new