USER MOD reduce.3.24.130724 H: found=0, std=0, add=802, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 803 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 70 ASN : amide:sc= 0.454 K(o=0.77,f=-4.1) USER MOD Set 1.2: A 74 LYS NZ :NH3+ -179:sc= 0.315 (180deg=-0.203) USER MOD Set 2.1: A 43 TYR OH : rot 180:sc= -0.0597 USER MOD Set 2.2: A 47 HIS : no HD1:sc= -0.0139 X(o=-0.28,f=-0.29) USER MOD Set 2.3: A 69 MET CE :methyl -125:sc= -0.202 (180deg=-0.635) USER MOD Set 3.1: A 23 ASN : amide:sc= -1 K(o=-0.85,f=-7.5!) USER MOD Set 3.2: A 27 LYS NZ :NH3+ -118:sc= 0.153 (180deg=-0.0948) USER MOD Single : A 9 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0609) USER MOD Single : A 10 LYS NZ :NH3+ 151:sc= -0.0302 (180deg=-0.815) USER MOD Single : A 12 THR OG1 : rot 63:sc= 1.26 USER MOD Single : A 16 LYS NZ :NH3+ 168:sc= -0.0452 (180deg=-0.276) USER MOD Single : A 20 GLN : amide:sc= 0 X(o=0,f=-0.17) USER MOD Single : A 21 ASN : amide:sc= 0.724 K(o=0.72,f=0) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 ASN : amide:sc= 0 X(o=0,f=-0.3) USER MOD Single : A 36 MET CE :methyl -112:sc= -1.18 (180deg=-3.94!) USER MOD Single : A 38 TYR OH : rot -133:sc= 0.0703 USER MOD Single : A 40 ASN :FLIP amide:sc= -0.198 F(o=-2.5!,f=-0.2) USER MOD Single : A 41 LYS NZ :NH3+ -141:sc= -0.11 (180deg=-1.58!) USER MOD Single : A 48 THR OG1 : rot 66:sc= 0.62 USER MOD Single : A 49 MET CE :methyl 177:sc= -0.308 (180deg=-0.319) USER MOD Single : A 50 LYS NZ :NH3+ -136:sc= 0.57 (180deg=-0.318) USER MOD Single : A 53 THR OG1 : rot -84:sc= -4.29! USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 MET CE :methyl -177:sc= -1.33 (180deg=-1.43) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 HIS :FLIP no HD1:sc= 0 F(o=-0.56,f=0) USER MOD Single : A 67 THR OG1 : rot -58:sc= 1.23 USER MOD Single : A 75 MET CE :methyl -111:sc= -0.568 (180deg=-2.02) USER MOD Single : A 77 ASN :FLIP amide:sc= -1.11 F(o=-3.9,f=-1.1) USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 81 LYS NZ :NH3+ -140:sc= 0.745 (180deg=0.101) USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 89 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00562) USER MOD Single : A 91 LYS NZ :NH3+ -127:sc= 0.23 (180deg=-1.15!) USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 98 THR OG1 : rot 180:sc= -0.439 USER MOD ----------------------------------------------------------------- ATOM 109 N ILE A 8 -9.676 0.653 15.845 1.00 12.05 N ATOM 110 CA ILE A 8 -8.287 0.218 15.556 1.00 23.12 C ATOM 111 C ILE A 8 -8.222 -1.316 15.309 1.00 52.44 C ATOM 112 O ILE A 8 -7.510 -1.785 14.418 1.00 1.31 O ATOM 113 CB ILE A 8 -7.317 0.644 16.733 1.00 22.12 C ATOM 114 CG1 ILE A 8 -7.350 2.203 16.923 1.00 24.00 C ATOM 115 CG2 ILE A 8 -5.867 0.136 16.508 1.00 65.24 C ATOM 116 CD1 ILE A 8 -6.462 2.751 18.038 1.00 63.13 C ATOM 0 HA ILE A 8 -7.957 0.715 14.644 1.00 23.12 H new ATOM 0 HB ILE A 8 -7.675 0.172 17.648 1.00 22.12 H new ATOM 0 HG12 ILE A 8 -7.055 2.672 15.984 1.00 24.00 H new ATOM 0 HG13 ILE A 8 -8.378 2.505 17.120 1.00 24.00 H new ATOM 0 HG21 ILE A 8 -5.238 0.452 17.340 1.00 65.24 H new ATOM 0 HG22 ILE A 8 -5.868 -0.952 16.447 1.00 65.24 H new ATOM 0 HG23 ILE A 8 -5.476 0.551 15.579 1.00 65.24 H new ATOM 0 HD11 ILE A 8 -6.561 3.836 18.082 1.00 63.13 H new ATOM 0 HD12 ILE A 8 -6.767 2.320 18.991 1.00 63.13 H new ATOM 0 HD13 ILE A 8 -5.423 2.489 17.838 1.00 63.13 H new ATOM 128 N LYS A 9 -9.017 -2.073 16.081 1.00 22.41 N ATOM 129 CA LYS A 9 -9.094 -3.547 15.990 1.00 12.03 C ATOM 130 C LYS A 9 -9.814 -4.021 14.698 1.00 61.43 C ATOM 131 O LYS A 9 -9.476 -5.076 14.161 1.00 33.14 O ATOM 132 CB LYS A 9 -9.797 -4.113 17.255 1.00 10.24 C ATOM 133 CG LYS A 9 -9.025 -3.860 18.570 1.00 44.13 C ATOM 134 CD LYS A 9 -9.815 -4.262 19.839 1.00 25.31 C ATOM 135 CE LYS A 9 -10.145 -5.764 19.900 1.00 15.15 C ATOM 136 NZ LYS A 9 -8.918 -6.608 19.873 1.00 23.21 N ATOM 0 H LYS A 9 -9.632 -1.680 16.794 1.00 22.41 H new ATOM 0 HA LYS A 9 -8.076 -3.933 15.938 1.00 12.03 H new ATOM 0 HB2 LYS A 9 -10.789 -3.668 17.337 1.00 10.24 H new ATOM 0 HB3 LYS A 9 -9.939 -5.186 17.130 1.00 10.24 H new ATOM 0 HG2 LYS A 9 -8.088 -4.416 18.544 1.00 44.13 H new ATOM 0 HG3 LYS A 9 -8.767 -2.803 18.632 1.00 44.13 H new ATOM 0 HD2 LYS A 9 -9.236 -3.988 20.721 1.00 25.31 H new ATOM 0 HD3 LYS A 9 -10.743 -3.691 19.877 1.00 25.31 H new ATOM 0 HE2 LYS A 9 -10.709 -5.974 20.809 1.00 15.15 H new ATOM 0 HE3 LYS A 9 -10.785 -6.029 19.059 1.00 15.15 H new ATOM 0 HZ1 LYS A 9 -9.177 -7.602 20.035 1.00 23.21 H new ATOM 0 HZ2 LYS A 9 -8.455 -6.517 18.946 1.00 23.21 H new ATOM 0 HZ3 LYS A 9 -8.265 -6.295 20.619 1.00 23.21 H new ATOM 150 N LYS A 10 -10.809 -3.252 14.202 1.00 22.34 N ATOM 151 CA LYS A 10 -11.486 -3.572 12.918 1.00 20.24 C ATOM 152 C LYS A 10 -10.565 -3.263 11.724 1.00 31.32 C ATOM 153 O LYS A 10 -10.356 -4.116 10.866 1.00 12.03 O ATOM 154 CB LYS A 10 -12.826 -2.811 12.737 1.00 4.51 C ATOM 155 CG LYS A 10 -13.914 -3.128 13.782 1.00 65.03 C ATOM 156 CD LYS A 10 -15.344 -2.645 13.373 1.00 70.51 C ATOM 157 CE LYS A 10 -15.406 -1.190 12.834 1.00 34.02 C ATOM 158 NZ LYS A 10 -15.106 -1.096 11.370 1.00 34.10 N ATOM 0 H LYS A 10 -11.161 -2.413 14.663 1.00 22.34 H new ATOM 0 HA LYS A 10 -11.710 -4.638 12.952 1.00 20.24 H new ATOM 0 HB2 LYS A 10 -12.622 -1.740 12.763 1.00 4.51 H new ATOM 0 HB3 LYS A 10 -13.221 -3.036 11.746 1.00 4.51 H new ATOM 0 HG2 LYS A 10 -13.939 -4.205 13.951 1.00 65.03 H new ATOM 0 HG3 LYS A 10 -13.641 -2.663 14.729 1.00 65.03 H new ATOM 0 HD2 LYS A 10 -15.736 -3.318 12.610 1.00 70.51 H new ATOM 0 HD3 LYS A 10 -16.002 -2.726 14.238 1.00 70.51 H new ATOM 0 HE2 LYS A 10 -16.398 -0.780 13.023 1.00 34.02 H new ATOM 0 HE3 LYS A 10 -14.696 -0.573 13.385 1.00 34.02 H new ATOM 0 HZ1 LYS A 10 -15.608 -0.281 10.964 1.00 34.10 H new ATOM 0 HZ2 LYS A 10 -14.082 -0.976 11.232 1.00 34.10 H new ATOM 0 HZ3 LYS A 10 -15.419 -1.967 10.895 1.00 34.10 H new ATOM 172 N VAL A 11 -10.005 -2.035 11.698 1.00 72.22 N ATOM 173 CA VAL A 11 -9.099 -1.581 10.618 1.00 52.20 C ATOM 174 C VAL A 11 -7.783 -2.401 10.567 1.00 71.21 C ATOM 175 O VAL A 11 -7.063 -2.336 9.579 1.00 14.24 O ATOM 176 CB VAL A 11 -8.806 -0.034 10.662 1.00 15.35 C ATOM 177 CG1 VAL A 11 -10.115 0.786 10.545 1.00 42.44 C ATOM 178 CG2 VAL A 11 -8.002 0.368 11.916 1.00 60.43 C ATOM 0 H VAL A 11 -10.166 -1.333 12.420 1.00 72.22 H new ATOM 0 HA VAL A 11 -9.640 -1.769 9.691 1.00 52.20 H new ATOM 0 HB VAL A 11 -8.185 0.200 9.798 1.00 15.35 H new ATOM 0 HG11 VAL A 11 -9.882 1.850 10.578 1.00 42.44 H new ATOM 0 HG12 VAL A 11 -10.608 0.552 9.601 1.00 42.44 H new ATOM 0 HG13 VAL A 11 -10.778 0.534 11.373 1.00 42.44 H new ATOM 0 HG21 VAL A 11 -7.823 1.443 11.904 1.00 60.43 H new ATOM 0 HG22 VAL A 11 -8.566 0.104 12.810 1.00 60.43 H new ATOM 0 HG23 VAL A 11 -7.048 -0.159 11.921 1.00 60.43 H new ATOM 188 N THR A 12 -7.461 -3.117 11.667 1.00 70.42 N ATOM 189 CA THR A 12 -6.421 -4.182 11.663 1.00 62.45 C ATOM 190 C THR A 12 -6.755 -5.291 10.622 1.00 40.52 C ATOM 191 O THR A 12 -5.899 -5.678 9.825 1.00 51.53 O ATOM 192 CB THR A 12 -6.270 -4.830 13.089 1.00 63.32 C ATOM 193 OG1 THR A 12 -5.745 -3.867 14.022 1.00 32.15 O ATOM 194 CG2 THR A 12 -5.368 -6.084 13.102 1.00 25.14 C ATOM 0 H THR A 12 -7.906 -2.979 12.575 1.00 70.42 H new ATOM 0 HA THR A 12 -5.478 -3.711 11.386 1.00 62.45 H new ATOM 0 HB THR A 12 -7.271 -5.146 13.382 1.00 63.32 H new ATOM 0 HG1 THR A 12 -6.378 -3.125 14.116 1.00 32.15 H new ATOM 0 HG21 THR A 12 -5.308 -6.479 14.116 1.00 25.14 H new ATOM 0 HG22 THR A 12 -5.789 -6.842 12.442 1.00 25.14 H new ATOM 0 HG23 THR A 12 -4.369 -5.817 12.757 1.00 25.14 H new ATOM 202 N ASP A 13 -8.006 -5.799 10.650 1.00 64.24 N ATOM 203 CA ASP A 13 -8.494 -6.826 9.684 1.00 54.01 C ATOM 204 C ASP A 13 -8.792 -6.215 8.285 1.00 11.42 C ATOM 205 O ASP A 13 -8.563 -6.857 7.254 1.00 54.03 O ATOM 206 CB ASP A 13 -9.762 -7.523 10.246 1.00 63.33 C ATOM 207 CG ASP A 13 -9.510 -8.247 11.582 1.00 0.41 C ATOM 208 OD1 ASP A 13 -9.500 -7.579 12.638 1.00 43.42 O ATOM 209 OD2 ASP A 13 -9.327 -9.486 11.589 1.00 21.24 O ATOM 0 H ASP A 13 -8.707 -5.516 11.335 1.00 64.24 H new ATOM 0 HA ASP A 13 -7.700 -7.562 9.556 1.00 54.01 H new ATOM 0 HB2 ASP A 13 -10.547 -6.780 10.385 1.00 63.33 H new ATOM 0 HB3 ASP A 13 -10.129 -8.242 9.513 1.00 63.33 H new ATOM 214 N GLU A 14 -9.296 -4.969 8.271 1.00 23.02 N ATOM 215 CA GLU A 14 -9.605 -4.218 7.027 1.00 5.30 C ATOM 216 C GLU A 14 -8.310 -3.815 6.280 1.00 65.11 C ATOM 217 O GLU A 14 -8.313 -3.620 5.055 1.00 74.41 O ATOM 218 CB GLU A 14 -10.478 -2.982 7.367 1.00 11.41 C ATOM 219 CG GLU A 14 -11.825 -3.334 8.045 1.00 53.42 C ATOM 220 CD GLU A 14 -12.701 -2.106 8.353 1.00 4.54 C ATOM 221 OE1 GLU A 14 -13.445 -1.664 7.452 1.00 15.04 O ATOM 222 OE2 GLU A 14 -12.659 -1.585 9.496 1.00 44.12 O ATOM 0 H GLU A 14 -9.504 -4.446 9.122 1.00 23.02 H new ATOM 0 HA GLU A 14 -10.169 -4.864 6.354 1.00 5.30 H new ATOM 0 HB2 GLU A 14 -9.914 -2.320 8.024 1.00 11.41 H new ATOM 0 HB3 GLU A 14 -10.678 -2.427 6.450 1.00 11.41 H new ATOM 0 HG2 GLU A 14 -12.381 -4.013 7.398 1.00 53.42 H new ATOM 0 HG3 GLU A 14 -11.626 -3.869 8.973 1.00 53.42 H new ATOM 229 N LEU A 15 -7.215 -3.688 7.051 1.00 74.54 N ATOM 230 CA LEU A 15 -5.843 -3.565 6.521 1.00 35.30 C ATOM 231 C LEU A 15 -5.501 -4.765 5.602 1.00 40.31 C ATOM 232 O LEU A 15 -4.965 -4.581 4.520 1.00 3.21 O ATOM 233 CB LEU A 15 -4.837 -3.505 7.705 1.00 22.44 C ATOM 234 CG LEU A 15 -3.300 -3.528 7.350 1.00 10.51 C ATOM 235 CD1 LEU A 15 -2.617 -2.171 7.625 1.00 22.51 C ATOM 236 CD2 LEU A 15 -2.569 -4.691 8.070 1.00 34.24 C ATOM 0 H LEU A 15 -7.257 -3.668 8.070 1.00 74.54 H new ATOM 0 HA LEU A 15 -5.774 -2.650 5.932 1.00 35.30 H new ATOM 0 HB2 LEU A 15 -5.038 -2.597 8.273 1.00 22.44 H new ATOM 0 HB3 LEU A 15 -5.043 -4.347 8.366 1.00 22.44 H new ATOM 0 HG LEU A 15 -3.225 -3.706 6.277 1.00 10.51 H new ATOM 0 HD11 LEU A 15 -1.560 -2.236 7.365 1.00 22.51 H new ATOM 0 HD12 LEU A 15 -3.091 -1.396 7.023 1.00 22.51 H new ATOM 0 HD13 LEU A 15 -2.716 -1.921 8.681 1.00 22.51 H new ATOM 0 HD21 LEU A 15 -1.512 -4.677 7.803 1.00 34.24 H new ATOM 0 HD22 LEU A 15 -2.672 -4.573 9.149 1.00 34.24 H new ATOM 0 HD23 LEU A 15 -3.008 -5.641 7.765 1.00 34.24 H new ATOM 248 N LYS A 16 -5.843 -5.988 6.061 1.00 1.12 N ATOM 249 CA LYS A 16 -5.602 -7.244 5.296 1.00 52.01 C ATOM 250 C LYS A 16 -6.385 -7.272 3.964 1.00 53.21 C ATOM 251 O LYS A 16 -5.857 -7.726 2.952 1.00 61.42 O ATOM 252 CB LYS A 16 -5.959 -8.512 6.139 1.00 65.42 C ATOM 253 CG LYS A 16 -4.873 -8.999 7.119 1.00 71.32 C ATOM 254 CD LYS A 16 -4.513 -7.976 8.206 1.00 44.53 C ATOM 255 CE LYS A 16 -3.413 -8.486 9.146 1.00 75.24 C ATOM 256 NZ LYS A 16 -2.184 -8.878 8.407 1.00 72.31 N ATOM 0 H LYS A 16 -6.291 -6.139 6.965 1.00 1.12 H new ATOM 0 HA LYS A 16 -4.536 -7.261 5.070 1.00 52.01 H new ATOM 0 HB2 LYS A 16 -6.866 -8.303 6.707 1.00 65.42 H new ATOM 0 HB3 LYS A 16 -6.193 -9.326 5.453 1.00 65.42 H new ATOM 0 HG2 LYS A 16 -5.214 -9.918 7.597 1.00 71.32 H new ATOM 0 HG3 LYS A 16 -3.974 -9.248 6.555 1.00 71.32 H new ATOM 0 HD2 LYS A 16 -4.184 -7.050 7.735 1.00 44.53 H new ATOM 0 HD3 LYS A 16 -5.404 -7.739 8.788 1.00 44.53 H new ATOM 0 HE2 LYS A 16 -3.168 -7.710 9.871 1.00 75.24 H new ATOM 0 HE3 LYS A 16 -3.786 -9.342 9.709 1.00 75.24 H new ATOM 0 HZ1 LYS A 16 -1.405 -9.021 9.081 1.00 72.31 H new ATOM 0 HZ2 LYS A 16 -2.359 -9.761 7.887 1.00 72.31 H new ATOM 0 HZ3 LYS A 16 -1.928 -8.126 7.736 1.00 72.31 H new ATOM 270 N GLU A 17 -7.646 -6.794 3.991 1.00 34.15 N ATOM 271 CA GLU A 17 -8.491 -6.682 2.770 1.00 45.10 C ATOM 272 C GLU A 17 -7.817 -5.774 1.732 1.00 10.11 C ATOM 273 O GLU A 17 -7.679 -6.120 0.552 1.00 53.41 O ATOM 274 CB GLU A 17 -9.891 -6.095 3.110 1.00 44.52 C ATOM 275 CG GLU A 17 -10.722 -6.896 4.125 1.00 74.34 C ATOM 276 CD GLU A 17 -12.131 -6.302 4.315 1.00 3.22 C ATOM 277 OE1 GLU A 17 -13.055 -6.679 3.556 1.00 14.23 O ATOM 278 OE2 GLU A 17 -12.315 -5.434 5.199 1.00 42.20 O ATOM 0 H GLU A 17 -8.108 -6.477 4.843 1.00 34.15 H new ATOM 0 HA GLU A 17 -8.611 -7.686 2.363 1.00 45.10 H new ATOM 0 HB2 GLU A 17 -9.757 -5.084 3.495 1.00 44.52 H new ATOM 0 HB3 GLU A 17 -10.463 -6.011 2.186 1.00 44.52 H new ATOM 0 HG2 GLU A 17 -10.807 -7.929 3.789 1.00 74.34 H new ATOM 0 HG3 GLU A 17 -10.204 -6.914 5.084 1.00 74.34 H new ATOM 285 N LEU A 18 -7.365 -4.630 2.232 1.00 71.44 N ATOM 286 CA LEU A 18 -6.771 -3.564 1.430 1.00 75.33 C ATOM 287 C LEU A 18 -5.449 -4.031 0.779 1.00 24.33 C ATOM 288 O LEU A 18 -5.267 -3.917 -0.432 1.00 21.15 O ATOM 289 CB LEU A 18 -6.571 -2.318 2.353 1.00 41.24 C ATOM 290 CG LEU A 18 -6.859 -0.922 1.709 1.00 2.22 C ATOM 291 CD1 LEU A 18 -8.170 -0.952 0.900 1.00 24.13 C ATOM 292 CD2 LEU A 18 -6.902 0.189 2.785 1.00 12.40 C ATOM 0 H LEU A 18 -7.401 -4.412 3.228 1.00 71.44 H new ATOM 0 HA LEU A 18 -7.432 -3.294 0.606 1.00 75.33 H new ATOM 0 HB2 LEU A 18 -7.215 -2.432 3.225 1.00 41.24 H new ATOM 0 HB3 LEU A 18 -5.543 -2.322 2.714 1.00 41.24 H new ATOM 0 HG LEU A 18 -6.042 -0.694 1.024 1.00 2.22 H new ATOM 0 HD11 LEU A 18 -8.350 0.030 0.462 1.00 24.13 H new ATOM 0 HD12 LEU A 18 -8.091 -1.695 0.106 1.00 24.13 H new ATOM 0 HD13 LEU A 18 -8.998 -1.212 1.559 1.00 24.13 H new ATOM 0 HD21 LEU A 18 -7.104 1.149 2.309 1.00 12.40 H new ATOM 0 HD22 LEU A 18 -7.690 -0.032 3.505 1.00 12.40 H new ATOM 0 HD23 LEU A 18 -5.942 0.234 3.300 1.00 12.40 H new ATOM 304 N ILE A 19 -4.564 -4.598 1.611 1.00 23.50 N ATOM 305 CA ILE A 19 -3.278 -5.179 1.176 1.00 64.31 C ATOM 306 C ILE A 19 -3.480 -6.316 0.149 1.00 74.10 C ATOM 307 O ILE A 19 -2.837 -6.303 -0.882 1.00 11.42 O ATOM 308 CB ILE A 19 -2.456 -5.711 2.415 1.00 33.43 C ATOM 309 CG1 ILE A 19 -1.986 -4.519 3.313 1.00 53.01 C ATOM 310 CG2 ILE A 19 -1.251 -6.600 1.996 1.00 42.43 C ATOM 311 CD1 ILE A 19 -1.285 -4.934 4.597 1.00 12.34 C ATOM 0 H ILE A 19 -4.719 -4.669 2.617 1.00 23.50 H new ATOM 0 HA ILE A 19 -2.714 -4.383 0.690 1.00 64.31 H new ATOM 0 HB ILE A 19 -3.125 -6.347 2.994 1.00 33.43 H new ATOM 0 HG12 ILE A 19 -1.312 -3.888 2.734 1.00 53.01 H new ATOM 0 HG13 ILE A 19 -2.853 -3.909 3.568 1.00 53.01 H new ATOM 0 HG21 ILE A 19 -0.721 -6.938 2.887 1.00 42.43 H new ATOM 0 HG22 ILE A 19 -1.613 -7.464 1.439 1.00 42.43 H new ATOM 0 HG23 ILE A 19 -0.573 -6.022 1.368 1.00 42.43 H new ATOM 0 HD11 ILE A 19 -0.994 -4.045 5.156 1.00 12.34 H new ATOM 0 HD12 ILE A 19 -1.961 -5.538 5.202 1.00 12.34 H new ATOM 0 HD13 ILE A 19 -0.396 -5.517 4.354 1.00 12.34 H new ATOM 323 N GLN A 20 -4.399 -7.263 0.434 1.00 61.24 N ATOM 324 CA GLN A 20 -4.592 -8.486 -0.397 1.00 21.14 C ATOM 325 C GLN A 20 -4.978 -8.143 -1.861 1.00 54.31 C ATOM 326 O GLN A 20 -4.386 -8.687 -2.808 1.00 2.12 O ATOM 327 CB GLN A 20 -5.678 -9.399 0.228 1.00 44.22 C ATOM 328 CG GLN A 20 -5.942 -10.722 -0.533 1.00 52.40 C ATOM 329 CD GLN A 20 -7.118 -11.536 0.025 1.00 42.40 C ATOM 330 OE1 GLN A 20 -7.415 -11.495 1.213 1.00 33.30 O ATOM 331 NE2 GLN A 20 -7.805 -12.265 -0.835 1.00 4.31 N ATOM 0 H GLN A 20 -5.026 -7.209 1.237 1.00 61.24 H new ATOM 0 HA GLN A 20 -3.638 -9.012 -0.417 1.00 21.14 H new ATOM 0 HB2 GLN A 20 -5.385 -9.638 1.250 1.00 44.22 H new ATOM 0 HB3 GLN A 20 -6.611 -8.839 0.287 1.00 44.22 H new ATOM 0 HG2 GLN A 20 -6.135 -10.494 -1.581 1.00 52.40 H new ATOM 0 HG3 GLN A 20 -5.041 -11.335 -0.501 1.00 52.40 H new ATOM 0 HE21 GLN A 20 -7.536 -12.281 -1.819 1.00 4.31 H new ATOM 0 HE22 GLN A 20 -8.605 -12.812 -0.516 1.00 4.31 H new ATOM 340 N ASN A 21 -5.974 -7.236 -2.021 1.00 32.33 N ATOM 341 CA ASN A 21 -6.384 -6.734 -3.354 1.00 60.45 C ATOM 342 C ASN A 21 -5.188 -6.083 -4.090 1.00 31.31 C ATOM 343 O ASN A 21 -4.820 -6.525 -5.181 1.00 63.14 O ATOM 344 CB ASN A 21 -7.574 -5.729 -3.245 1.00 32.03 C ATOM 345 CG ASN A 21 -8.924 -6.431 -3.041 1.00 71.43 C ATOM 346 OD1 ASN A 21 -9.585 -6.806 -4.005 1.00 2.21 O ATOM 347 ND2 ASN A 21 -9.349 -6.609 -1.807 1.00 24.24 N ATOM 0 H ASN A 21 -6.505 -6.839 -1.246 1.00 32.33 H new ATOM 0 HA ASN A 21 -6.723 -7.591 -3.937 1.00 60.45 H new ATOM 0 HB2 ASN A 21 -7.394 -5.048 -2.414 1.00 32.03 H new ATOM 0 HB3 ASN A 21 -7.617 -5.123 -4.150 1.00 32.03 H new ATOM 0 HD21 ASN A 21 -10.245 -7.067 -1.637 1.00 24.24 H new ATOM 0 HD22 ASN A 21 -8.783 -6.289 -1.021 1.00 24.24 H new ATOM 354 N VAL A 22 -4.540 -5.105 -3.426 1.00 1.43 N ATOM 355 CA VAL A 22 -3.381 -4.363 -3.992 1.00 53.41 C ATOM 356 C VAL A 22 -2.196 -5.312 -4.326 1.00 33.32 C ATOM 357 O VAL A 22 -1.544 -5.151 -5.344 1.00 73.21 O ATOM 358 CB VAL A 22 -2.912 -3.222 -3.009 1.00 33.32 C ATOM 359 CG1 VAL A 22 -1.650 -2.475 -3.504 1.00 51.33 C ATOM 360 CG2 VAL A 22 -4.051 -2.220 -2.772 1.00 4.45 C ATOM 0 H VAL A 22 -4.799 -4.804 -2.487 1.00 1.43 H new ATOM 0 HA VAL A 22 -3.713 -3.907 -4.925 1.00 53.41 H new ATOM 0 HB VAL A 22 -2.646 -3.711 -2.072 1.00 33.32 H new ATOM 0 HG11 VAL A 22 -1.378 -1.703 -2.784 1.00 51.33 H new ATOM 0 HG12 VAL A 22 -0.826 -3.181 -3.607 1.00 51.33 H new ATOM 0 HG13 VAL A 22 -1.856 -2.014 -4.470 1.00 51.33 H new ATOM 0 HG21 VAL A 22 -3.712 -1.439 -2.092 1.00 4.45 H new ATOM 0 HG22 VAL A 22 -4.345 -1.772 -3.721 1.00 4.45 H new ATOM 0 HG23 VAL A 22 -4.905 -2.737 -2.334 1.00 4.45 H new ATOM 370 N ASN A 23 -1.993 -6.339 -3.492 1.00 10.14 N ATOM 371 CA ASN A 23 -0.848 -7.283 -3.592 1.00 15.41 C ATOM 372 C ASN A 23 -0.949 -8.105 -4.897 1.00 41.23 C ATOM 373 O ASN A 23 0.056 -8.383 -5.563 1.00 62.25 O ATOM 374 CB ASN A 23 -0.847 -8.222 -2.345 1.00 12.14 C ATOM 375 CG ASN A 23 0.524 -8.801 -2.000 1.00 5.13 C ATOM 376 OD1 ASN A 23 0.914 -9.850 -2.483 1.00 44.53 O ATOM 377 ND2 ASN A 23 1.250 -8.132 -1.124 1.00 61.14 N ATOM 0 H ASN A 23 -2.621 -6.550 -2.716 1.00 10.14 H new ATOM 0 HA ASN A 23 0.087 -6.724 -3.616 1.00 15.41 H new ATOM 0 HB2 ASN A 23 -1.221 -7.666 -1.485 1.00 12.14 H new ATOM 0 HB3 ASN A 23 -1.542 -9.043 -2.521 1.00 12.14 H new ATOM 0 HD21 ASN A 23 2.161 -8.491 -0.836 1.00 61.14 H new ATOM 0 HD22 ASN A 23 0.901 -7.256 -0.735 1.00 61.14 H new ATOM 384 N ASP A 24 -2.191 -8.486 -5.231 1.00 71.14 N ATOM 385 CA ASP A 24 -2.527 -9.207 -6.474 1.00 0.23 C ATOM 386 C ASP A 24 -2.564 -8.235 -7.694 1.00 55.12 C ATOM 387 O ASP A 24 -2.239 -8.627 -8.822 1.00 71.55 O ATOM 388 CB ASP A 24 -3.893 -9.925 -6.282 1.00 41.43 C ATOM 389 CG ASP A 24 -4.143 -11.059 -7.290 1.00 21.21 C ATOM 390 OD1 ASP A 24 -3.759 -12.215 -6.991 1.00 14.02 O ATOM 391 OD2 ASP A 24 -4.714 -10.808 -8.375 1.00 71.24 O ATOM 0 H ASP A 24 -3.002 -8.301 -4.640 1.00 71.14 H new ATOM 0 HA ASP A 24 -1.757 -9.949 -6.684 1.00 0.23 H new ATOM 0 HB2 ASP A 24 -3.941 -10.332 -5.272 1.00 41.43 H new ATOM 0 HB3 ASP A 24 -4.694 -9.191 -6.368 1.00 41.43 H new ATOM 396 N ASP A 25 -2.967 -6.967 -7.449 1.00 15.15 N ATOM 397 CA ASP A 25 -3.041 -5.917 -8.499 1.00 3.44 C ATOM 398 C ASP A 25 -1.652 -5.535 -9.050 1.00 11.43 C ATOM 399 O ASP A 25 -1.485 -5.377 -10.260 1.00 14.02 O ATOM 400 CB ASP A 25 -3.768 -4.645 -7.973 1.00 23.35 C ATOM 401 CG ASP A 25 -5.282 -4.835 -7.769 1.00 50.20 C ATOM 402 OD1 ASP A 25 -5.931 -5.492 -8.616 1.00 35.51 O ATOM 403 OD2 ASP A 25 -5.835 -4.323 -6.775 1.00 22.22 O ATOM 0 H ASP A 25 -3.249 -6.641 -6.525 1.00 15.15 H new ATOM 0 HA ASP A 25 -3.618 -6.345 -9.319 1.00 3.44 H new ATOM 0 HB2 ASP A 25 -3.318 -4.346 -7.026 1.00 23.35 H new ATOM 0 HB3 ASP A 25 -3.605 -3.828 -8.676 1.00 23.35 H new ATOM 408 N ILE A 26 -0.665 -5.388 -8.152 1.00 11.45 N ATOM 409 CA ILE A 26 0.733 -5.079 -8.534 1.00 13.23 C ATOM 410 C ILE A 26 1.339 -6.249 -9.365 1.00 21.23 C ATOM 411 O ILE A 26 2.182 -6.036 -10.245 1.00 21.34 O ATOM 412 CB ILE A 26 1.623 -4.796 -7.268 1.00 10.42 C ATOM 413 CG1 ILE A 26 0.999 -3.704 -6.345 1.00 53.42 C ATOM 414 CG2 ILE A 26 3.049 -4.371 -7.670 1.00 53.02 C ATOM 415 CD1 ILE A 26 1.634 -3.627 -4.960 1.00 62.01 C ATOM 0 H ILE A 26 -0.806 -5.478 -7.146 1.00 11.45 H new ATOM 0 HA ILE A 26 0.720 -4.177 -9.146 1.00 13.23 H new ATOM 0 HB ILE A 26 1.671 -5.732 -6.711 1.00 10.42 H new ATOM 0 HG12 ILE A 26 1.094 -2.733 -6.832 1.00 53.42 H new ATOM 0 HG13 ILE A 26 -0.067 -3.902 -6.234 1.00 53.42 H new ATOM 0 HG21 ILE A 26 3.639 -4.183 -6.773 1.00 53.02 H new ATOM 0 HG22 ILE A 26 3.516 -5.167 -8.251 1.00 53.02 H new ATOM 0 HG23 ILE A 26 3.002 -3.463 -8.271 1.00 53.02 H new ATOM 0 HD11 ILE A 26 1.146 -2.845 -4.379 1.00 62.01 H new ATOM 0 HD12 ILE A 26 1.516 -4.584 -4.452 1.00 62.01 H new ATOM 0 HD13 ILE A 26 2.695 -3.397 -5.058 1.00 62.01 H new ATOM 427 N LYS A 27 0.881 -7.488 -9.079 1.00 61.51 N ATOM 428 CA LYS A 27 1.257 -8.690 -9.863 1.00 21.21 C ATOM 429 C LYS A 27 0.674 -8.643 -11.293 1.00 20.23 C ATOM 430 O LYS A 27 1.311 -9.096 -12.246 1.00 13.01 O ATOM 431 CB LYS A 27 0.816 -9.986 -9.141 1.00 21.25 C ATOM 432 CG LYS A 27 1.561 -10.253 -7.818 1.00 74.34 C ATOM 433 CD LYS A 27 1.094 -11.565 -7.138 1.00 75.05 C ATOM 434 CE LYS A 27 1.847 -11.854 -5.833 1.00 64.15 C ATOM 435 NZ LYS A 27 1.610 -10.794 -4.827 1.00 43.10 N ATOM 0 H LYS A 27 0.246 -7.684 -8.306 1.00 61.51 H new ATOM 0 HA LYS A 27 2.344 -8.694 -9.945 1.00 21.21 H new ATOM 0 HB2 LYS A 27 -0.254 -9.931 -8.939 1.00 21.25 H new ATOM 0 HB3 LYS A 27 0.970 -10.833 -9.810 1.00 21.25 H new ATOM 0 HG2 LYS A 27 2.632 -10.307 -8.011 1.00 74.34 H new ATOM 0 HG3 LYS A 27 1.401 -9.416 -7.138 1.00 74.34 H new ATOM 0 HD2 LYS A 27 0.026 -11.502 -6.930 1.00 75.05 H new ATOM 0 HD3 LYS A 27 1.236 -12.397 -7.827 1.00 75.05 H new ATOM 0 HE2 LYS A 27 1.528 -12.816 -5.432 1.00 64.15 H new ATOM 0 HE3 LYS A 27 2.915 -11.932 -6.037 1.00 64.15 H new ATOM 0 HZ1 LYS A 27 2.511 -10.331 -4.592 1.00 43.10 H new ATOM 0 HZ2 LYS A 27 0.949 -10.090 -5.214 1.00 43.10 H new ATOM 0 HZ3 LYS A 27 1.203 -11.216 -3.968 1.00 43.10 H new ATOM 449 N GLU A 28 -0.542 -8.087 -11.433 1.00 23.24 N ATOM 450 CA GLU A 28 -1.151 -7.827 -12.752 1.00 2.24 C ATOM 451 C GLU A 28 -0.363 -6.721 -13.511 1.00 52.20 C ATOM 452 O GLU A 28 -0.294 -6.726 -14.742 1.00 62.33 O ATOM 453 CB GLU A 28 -2.641 -7.436 -12.567 1.00 45.34 C ATOM 454 CG GLU A 28 -3.425 -7.142 -13.862 1.00 63.35 C ATOM 455 CD GLU A 28 -3.533 -8.345 -14.818 1.00 72.33 C ATOM 456 OE1 GLU A 28 -4.323 -9.267 -14.530 1.00 74.23 O ATOM 457 OE2 GLU A 28 -2.833 -8.375 -15.857 1.00 52.42 O ATOM 0 H GLU A 28 -1.126 -7.807 -10.645 1.00 23.24 H new ATOM 0 HA GLU A 28 -1.104 -8.733 -13.356 1.00 2.24 H new ATOM 0 HB2 GLU A 28 -3.145 -8.243 -12.035 1.00 45.34 H new ATOM 0 HB3 GLU A 28 -2.689 -6.554 -11.928 1.00 45.34 H new ATOM 0 HG2 GLU A 28 -4.429 -6.809 -13.599 1.00 63.35 H new ATOM 0 HG3 GLU A 28 -2.943 -6.317 -14.386 1.00 63.35 H new ATOM 464 N VAL A 29 0.256 -5.788 -12.754 1.00 11.50 N ATOM 465 CA VAL A 29 1.141 -4.755 -13.334 1.00 25.35 C ATOM 466 C VAL A 29 2.505 -5.360 -13.794 1.00 40.02 C ATOM 467 O VAL A 29 3.142 -4.839 -14.711 1.00 73.54 O ATOM 468 CB VAL A 29 1.399 -3.554 -12.352 1.00 34.43 C ATOM 469 CG1 VAL A 29 2.243 -2.474 -13.049 1.00 54.34 C ATOM 470 CG2 VAL A 29 0.083 -2.942 -11.807 1.00 4.11 C ATOM 0 H VAL A 29 0.159 -5.730 -11.740 1.00 11.50 H new ATOM 0 HA VAL A 29 0.612 -4.367 -14.204 1.00 25.35 H new ATOM 0 HB VAL A 29 1.946 -3.947 -11.495 1.00 34.43 H new ATOM 0 HG11 VAL A 29 2.416 -1.647 -12.361 1.00 54.34 H new ATOM 0 HG12 VAL A 29 3.199 -2.899 -13.353 1.00 54.34 H new ATOM 0 HG13 VAL A 29 1.713 -2.109 -13.929 1.00 54.34 H new ATOM 0 HG21 VAL A 29 0.317 -2.117 -11.134 1.00 4.11 H new ATOM 0 HG22 VAL A 29 -0.518 -2.573 -12.638 1.00 4.11 H new ATOM 0 HG23 VAL A 29 -0.476 -3.705 -11.265 1.00 4.11 H new ATOM 480 N GLU A 30 2.954 -6.466 -13.168 1.00 22.10 N ATOM 481 CA GLU A 30 4.142 -7.224 -13.669 1.00 42.21 C ATOM 482 C GLU A 30 3.922 -7.678 -15.132 1.00 2.53 C ATOM 483 O GLU A 30 4.866 -7.771 -15.925 1.00 34.30 O ATOM 484 CB GLU A 30 4.438 -8.461 -12.792 1.00 31.02 C ATOM 485 CG GLU A 30 4.669 -8.139 -11.301 1.00 20.52 C ATOM 486 CD GLU A 30 5.215 -9.325 -10.487 1.00 13.14 C ATOM 487 OE1 GLU A 30 6.396 -9.690 -10.683 1.00 20.43 O ATOM 488 OE2 GLU A 30 4.499 -9.866 -9.622 1.00 3.45 O ATOM 0 H GLU A 30 2.528 -6.858 -12.328 1.00 22.10 H new ATOM 0 HA GLU A 30 4.997 -6.550 -13.620 1.00 42.21 H new ATOM 0 HB2 GLU A 30 3.606 -9.160 -12.876 1.00 31.02 H new ATOM 0 HB3 GLU A 30 5.320 -8.967 -13.184 1.00 31.02 H new ATOM 0 HG2 GLU A 30 5.366 -7.305 -11.223 1.00 20.52 H new ATOM 0 HG3 GLU A 30 3.728 -7.810 -10.860 1.00 20.52 H new ATOM 495 N LYS A 31 2.648 -7.945 -15.456 1.00 33.12 N ATOM 496 CA LYS A 31 2.204 -8.304 -16.807 1.00 42.44 C ATOM 497 C LYS A 31 2.038 -7.032 -17.693 1.00 74.03 C ATOM 498 O LYS A 31 2.456 -7.016 -18.858 1.00 33.33 O ATOM 499 CB LYS A 31 0.869 -9.090 -16.701 1.00 30.22 C ATOM 500 CG LYS A 31 0.461 -9.820 -17.990 1.00 62.45 C ATOM 501 CD LYS A 31 -0.859 -10.611 -17.838 1.00 21.12 C ATOM 502 CE LYS A 31 -1.259 -11.359 -19.125 1.00 75.51 C ATOM 503 NZ LYS A 31 -2.474 -12.197 -18.933 1.00 41.42 N ATOM 0 H LYS A 31 1.888 -7.917 -14.776 1.00 33.12 H new ATOM 0 HA LYS A 31 2.956 -8.932 -17.284 1.00 42.44 H new ATOM 0 HB2 LYS A 31 0.953 -9.819 -15.895 1.00 30.22 H new ATOM 0 HB3 LYS A 31 0.074 -8.398 -16.422 1.00 30.22 H new ATOM 0 HG2 LYS A 31 0.353 -9.093 -18.795 1.00 62.45 H new ATOM 0 HG3 LYS A 31 1.258 -10.504 -18.283 1.00 62.45 H new ATOM 0 HD2 LYS A 31 -0.756 -11.328 -17.024 1.00 21.12 H new ATOM 0 HD3 LYS A 31 -1.658 -9.925 -17.559 1.00 21.12 H new ATOM 0 HE2 LYS A 31 -1.440 -10.637 -19.922 1.00 75.51 H new ATOM 0 HE3 LYS A 31 -0.431 -11.990 -19.448 1.00 75.51 H new ATOM 0 HZ1 LYS A 31 -2.706 -12.681 -19.824 1.00 41.42 H new ATOM 0 HZ2 LYS A 31 -2.295 -12.904 -18.191 1.00 41.42 H new ATOM 0 HZ3 LYS A 31 -3.271 -11.592 -18.650 1.00 41.42 H new ATOM 517 N ASN A 32 1.428 -5.965 -17.114 1.00 70.24 N ATOM 518 CA ASN A 32 1.153 -4.669 -17.810 1.00 60.34 C ATOM 519 C ASN A 32 1.764 -3.468 -17.014 1.00 2.01 C ATOM 520 O ASN A 32 1.061 -2.838 -16.215 1.00 34.23 O ATOM 521 CB ASN A 32 -0.381 -4.492 -18.005 1.00 44.04 C ATOM 522 CG ASN A 32 -1.015 -5.594 -18.860 1.00 24.11 C ATOM 523 OD1 ASN A 32 -0.400 -6.123 -19.779 1.00 70.03 O ATOM 524 ND2 ASN A 32 -2.244 -5.961 -18.562 1.00 4.33 N ATOM 0 H ASN A 32 1.109 -5.975 -16.145 1.00 70.24 H new ATOM 0 HA ASN A 32 1.629 -4.686 -18.791 1.00 60.34 H new ATOM 0 HB2 ASN A 32 -0.865 -4.476 -17.028 1.00 44.04 H new ATOM 0 HB3 ASN A 32 -0.572 -3.525 -18.471 1.00 44.04 H new ATOM 0 HD21 ASN A 32 -2.701 -6.698 -19.100 1.00 4.33 H new ATOM 0 HD22 ASN A 32 -2.739 -5.509 -17.793 1.00 4.33 H new ATOM 531 N PRO A 33 3.100 -3.151 -17.211 1.00 71.32 N ATOM 532 CA PRO A 33 3.854 -2.177 -16.357 1.00 61.32 C ATOM 533 C PRO A 33 3.274 -0.736 -16.339 1.00 53.51 C ATOM 534 O PRO A 33 2.997 -0.186 -15.267 1.00 22.11 O ATOM 535 CB PRO A 33 5.298 -2.211 -16.947 1.00 2.41 C ATOM 536 CG PRO A 33 5.127 -2.749 -18.338 1.00 54.45 C ATOM 537 CD PRO A 33 3.984 -3.735 -18.256 1.00 1.23 C ATOM 0 HA PRO A 33 3.799 -2.464 -15.307 1.00 61.32 H new ATOM 0 HB2 PRO A 33 5.745 -1.217 -16.959 1.00 2.41 H new ATOM 0 HB3 PRO A 33 5.954 -2.848 -16.353 1.00 2.41 H new ATOM 0 HG2 PRO A 33 4.904 -1.948 -19.043 1.00 54.45 H new ATOM 0 HG3 PRO A 33 6.039 -3.234 -18.685 1.00 54.45 H new ATOM 0 HD2 PRO A 33 3.468 -3.832 -19.211 1.00 1.23 H new ATOM 0 HD3 PRO A 33 4.331 -4.730 -17.979 1.00 1.23 H new ATOM 545 N GLU A 34 3.065 -0.145 -17.527 1.00 42.35 N ATOM 546 CA GLU A 34 2.642 1.271 -17.666 1.00 51.03 C ATOM 547 C GLU A 34 1.097 1.427 -17.708 1.00 72.33 C ATOM 548 O GLU A 34 0.586 2.424 -18.238 1.00 72.25 O ATOM 549 CB GLU A 34 3.299 1.880 -18.934 1.00 1.54 C ATOM 550 CG GLU A 34 4.843 1.874 -18.928 1.00 22.04 C ATOM 551 CD GLU A 34 5.448 2.456 -20.217 1.00 41.23 C ATOM 552 OE1 GLU A 34 5.334 3.679 -20.430 1.00 54.23 O ATOM 553 OE2 GLU A 34 6.039 1.699 -21.022 1.00 24.34 O ATOM 0 H GLU A 34 3.182 -0.627 -18.418 1.00 42.35 H new ATOM 0 HA GLU A 34 2.979 1.814 -16.783 1.00 51.03 H new ATOM 0 HB2 GLU A 34 2.951 1.329 -19.807 1.00 1.54 H new ATOM 0 HB3 GLU A 34 2.954 2.908 -19.047 1.00 1.54 H new ATOM 0 HG2 GLU A 34 5.200 2.448 -18.073 1.00 22.04 H new ATOM 0 HG3 GLU A 34 5.197 0.852 -18.796 1.00 22.04 H new ATOM 560 N ASP A 35 0.356 0.461 -17.119 1.00 24.10 N ATOM 561 CA ASP A 35 -1.116 0.548 -17.013 1.00 1.53 C ATOM 562 C ASP A 35 -1.486 1.592 -15.922 1.00 52.31 C ATOM 563 O ASP A 35 -1.605 1.259 -14.732 1.00 21.12 O ATOM 564 CB ASP A 35 -1.733 -0.847 -16.702 1.00 5.21 C ATOM 565 CG ASP A 35 -3.238 -0.913 -17.039 1.00 4.44 C ATOM 566 OD1 ASP A 35 -4.058 -0.264 -16.344 1.00 73.11 O ATOM 567 OD2 ASP A 35 -3.605 -1.574 -18.037 1.00 2.50 O ATOM 0 H ASP A 35 0.753 -0.385 -16.711 1.00 24.10 H new ATOM 0 HA ASP A 35 -1.531 0.874 -17.967 1.00 1.53 H new ATOM 0 HB2 ASP A 35 -1.202 -1.611 -17.270 1.00 5.21 H new ATOM 0 HB3 ASP A 35 -1.589 -1.078 -15.646 1.00 5.21 H new ATOM 572 N MET A 36 -1.623 2.862 -16.349 1.00 42.42 N ATOM 573 CA MET A 36 -1.831 4.010 -15.438 1.00 3.30 C ATOM 574 C MET A 36 -3.168 3.914 -14.688 1.00 71.41 C ATOM 575 O MET A 36 -3.250 4.295 -13.519 1.00 72.02 O ATOM 576 CB MET A 36 -1.731 5.340 -16.228 1.00 14.14 C ATOM 577 CG MET A 36 -0.411 5.548 -17.011 1.00 53.23 C ATOM 578 SD MET A 36 1.003 6.031 -15.986 1.00 62.25 S ATOM 579 CE MET A 36 1.515 4.508 -15.184 1.00 64.21 C ATOM 0 H MET A 36 -1.593 3.124 -17.334 1.00 42.42 H new ATOM 0 HA MET A 36 -1.044 3.986 -14.685 1.00 3.30 H new ATOM 0 HB2 MET A 36 -2.563 5.389 -16.931 1.00 14.14 H new ATOM 0 HB3 MET A 36 -1.854 6.168 -15.530 1.00 14.14 H new ATOM 0 HG2 MET A 36 -0.165 4.625 -17.535 1.00 53.23 H new ATOM 0 HG3 MET A 36 -0.571 6.313 -17.771 1.00 53.23 H new ATOM 0 HE1 MET A 36 1.312 4.573 -14.115 1.00 64.21 H new ATOM 0 HE2 MET A 36 0.962 3.670 -15.608 1.00 64.21 H new ATOM 0 HE3 MET A 36 2.583 4.355 -15.341 1.00 64.21 H new ATOM 589 N GLU A 37 -4.199 3.383 -15.375 1.00 3.21 N ATOM 590 CA GLU A 37 -5.531 3.143 -14.780 1.00 4.11 C ATOM 591 C GLU A 37 -5.433 2.252 -13.518 1.00 53.02 C ATOM 592 O GLU A 37 -6.018 2.566 -12.471 1.00 1.42 O ATOM 593 CB GLU A 37 -6.499 2.489 -15.797 1.00 25.41 C ATOM 594 CG GLU A 37 -7.929 2.293 -15.243 1.00 51.43 C ATOM 595 CD GLU A 37 -8.884 1.562 -16.195 1.00 21.01 C ATOM 596 OE1 GLU A 37 -8.828 0.317 -16.260 1.00 0.03 O ATOM 597 OE2 GLU A 37 -9.701 2.227 -16.871 1.00 44.22 O ATOM 0 H GLU A 37 -4.133 3.109 -16.355 1.00 3.21 H new ATOM 0 HA GLU A 37 -5.927 4.118 -14.496 1.00 4.11 H new ATOM 0 HB2 GLU A 37 -6.546 3.108 -16.693 1.00 25.41 H new ATOM 0 HB3 GLU A 37 -6.098 1.521 -16.099 1.00 25.41 H new ATOM 0 HG2 GLU A 37 -7.870 1.735 -14.308 1.00 51.43 H new ATOM 0 HG3 GLU A 37 -8.350 3.270 -15.005 1.00 51.43 H new ATOM 604 N TYR A 38 -4.669 1.155 -13.638 1.00 62.44 N ATOM 605 CA TYR A 38 -4.453 0.189 -12.537 1.00 4.42 C ATOM 606 C TYR A 38 -3.693 0.844 -11.357 1.00 73.50 C ATOM 607 O TYR A 38 -3.972 0.560 -10.188 1.00 13.42 O ATOM 608 CB TYR A 38 -3.693 -1.072 -13.075 1.00 0.34 C ATOM 609 CG TYR A 38 -4.384 -2.392 -12.733 1.00 31.34 C ATOM 610 CD1 TYR A 38 -5.598 -2.740 -13.336 1.00 22.34 C ATOM 611 CD2 TYR A 38 -3.849 -3.272 -11.802 1.00 23.51 C ATOM 612 CE1 TYR A 38 -6.244 -3.917 -13.013 1.00 12.05 C ATOM 613 CE2 TYR A 38 -4.488 -4.447 -11.487 1.00 62.10 C ATOM 614 CZ TYR A 38 -5.683 -4.767 -12.085 1.00 4.13 C ATOM 615 OH TYR A 38 -6.318 -5.944 -11.745 1.00 50.24 O ATOM 0 H TYR A 38 -4.181 0.908 -14.499 1.00 62.44 H new ATOM 0 HA TYR A 38 -5.424 -0.128 -12.157 1.00 4.42 H new ATOM 0 HB2 TYR A 38 -3.594 -0.993 -14.158 1.00 0.34 H new ATOM 0 HB3 TYR A 38 -2.684 -1.082 -12.663 1.00 0.34 H new ATOM 0 HD1 TYR A 38 -6.037 -2.077 -14.066 1.00 22.34 H new ATOM 0 HD2 TYR A 38 -2.915 -3.029 -11.317 1.00 23.51 H new ATOM 0 HE1 TYR A 38 -7.182 -4.169 -13.484 1.00 12.05 H new ATOM 0 HE2 TYR A 38 -4.049 -5.122 -10.767 1.00 62.10 H new ATOM 0 HH TYR A 38 -6.328 -6.041 -10.770 1.00 50.24 H new ATOM 625 N TRP A 39 -2.748 1.736 -11.689 1.00 63.30 N ATOM 626 CA TRP A 39 -1.991 2.523 -10.696 1.00 32.04 C ATOM 627 C TRP A 39 -2.853 3.611 -9.999 1.00 22.12 C ATOM 628 O TRP A 39 -2.535 3.994 -8.881 1.00 4.42 O ATOM 629 CB TRP A 39 -0.709 3.125 -11.330 1.00 61.44 C ATOM 630 CG TRP A 39 0.393 2.109 -11.551 1.00 41.33 C ATOM 631 CD1 TRP A 39 0.924 1.703 -12.740 1.00 41.45 C ATOM 632 CD2 TRP A 39 1.084 1.348 -10.533 1.00 74.33 C ATOM 633 NE1 TRP A 39 1.909 0.773 -12.526 1.00 23.22 N ATOM 634 CE2 TRP A 39 2.018 0.537 -11.181 1.00 33.51 C ATOM 635 CE3 TRP A 39 1.006 1.283 -9.134 1.00 43.51 C ATOM 636 CZ2 TRP A 39 2.866 -0.331 -10.488 1.00 60.04 C ATOM 637 CZ3 TRP A 39 1.846 0.421 -8.453 1.00 55.33 C ATOM 638 CH2 TRP A 39 2.767 -0.376 -9.136 1.00 21.51 C ATOM 0 H TRP A 39 -2.484 1.935 -12.654 1.00 63.30 H new ATOM 0 HA TRP A 39 -1.690 1.832 -9.909 1.00 32.04 H new ATOM 0 HB2 TRP A 39 -0.967 3.583 -12.285 1.00 61.44 H new ATOM 0 HB3 TRP A 39 -0.334 3.921 -10.686 1.00 61.44 H new ATOM 0 HD1 TRP A 39 0.614 2.062 -13.710 1.00 41.45 H new ATOM 0 HE1 TRP A 39 2.471 0.328 -13.252 1.00 23.22 H new ATOM 0 HE3 TRP A 39 0.300 1.898 -8.596 1.00 43.51 H new ATOM 0 HZ2 TRP A 39 3.580 -0.948 -11.014 1.00 60.04 H new ATOM 0 HZ3 TRP A 39 1.789 0.363 -7.376 1.00 55.33 H new ATOM 0 HH2 TRP A 39 3.411 -1.039 -8.578 1.00 21.51 H new ATOM 649 N ASN A 40 -3.917 4.135 -10.665 1.00 32.22 N ATOM 650 CA ASN A 40 -4.913 5.019 -9.982 1.00 61.10 C ATOM 651 C ASN A 40 -5.600 4.257 -8.828 1.00 53.53 C ATOM 652 O ASN A 40 -5.728 4.784 -7.720 1.00 52.43 O ATOM 653 CB ASN A 40 -6.003 5.559 -10.946 1.00 75.21 C ATOM 654 CG ASN A 40 -5.473 6.566 -11.958 1.00 44.52 C ATOM 655 OD1 ASN A 40 -5.157 6.120 -13.139 1.00 71.22 O flip ATOM 656 ND2 ASN A 40 -5.368 7.748 -11.682 1.00 14.51 N flip ATOM 0 H ASN A 40 -4.109 3.968 -11.653 1.00 32.22 H new ATOM 0 HA ASN A 40 -4.354 5.873 -9.599 1.00 61.10 H new ATOM 0 HB2 ASN A 40 -6.452 4.721 -11.480 1.00 75.21 H new ATOM 0 HB3 ASN A 40 -6.795 6.026 -10.361 1.00 75.21 H new ATOM 0 HD21 ASN A 40 -5.621 8.079 -10.751 1.00 14.51 H new ATOM 0 HD22 ASN A 40 -5.027 8.407 -12.382 1.00 14.51 H new ATOM 663 N LYS A 41 -6.033 3.009 -9.119 1.00 63.41 N ATOM 664 CA LYS A 41 -6.608 2.089 -8.096 1.00 14.40 C ATOM 665 C LYS A 41 -5.634 1.898 -6.906 1.00 24.33 C ATOM 666 O LYS A 41 -5.982 2.180 -5.757 1.00 55.02 O ATOM 667 CB LYS A 41 -6.955 0.689 -8.709 1.00 75.24 C ATOM 668 CG LYS A 41 -8.334 0.573 -9.401 1.00 42.12 C ATOM 669 CD LYS A 41 -8.437 1.295 -10.759 1.00 23.41 C ATOM 670 CE LYS A 41 -9.833 1.123 -11.385 1.00 41.25 C ATOM 671 NZ LYS A 41 -9.939 1.758 -12.718 1.00 73.10 N ATOM 0 H LYS A 41 -5.997 2.609 -10.057 1.00 63.41 H new ATOM 0 HA LYS A 41 -7.527 2.552 -7.737 1.00 14.40 H new ATOM 0 HB2 LYS A 41 -6.184 0.431 -9.435 1.00 75.24 H new ATOM 0 HB3 LYS A 41 -6.906 -0.055 -7.914 1.00 75.24 H new ATOM 0 HG2 LYS A 41 -8.564 -0.482 -9.548 1.00 42.12 H new ATOM 0 HG3 LYS A 41 -9.095 0.975 -8.733 1.00 42.12 H new ATOM 0 HD2 LYS A 41 -8.225 2.356 -10.625 1.00 23.41 H new ATOM 0 HD3 LYS A 41 -7.681 0.902 -11.439 1.00 23.41 H new ATOM 0 HE2 LYS A 41 -10.060 0.060 -11.473 1.00 41.25 H new ATOM 0 HE3 LYS A 41 -10.581 1.554 -10.720 1.00 41.25 H new ATOM 0 HZ1 LYS A 41 -10.873 2.205 -12.816 1.00 73.10 H new ATOM 0 HZ2 LYS A 41 -9.197 2.480 -12.819 1.00 73.10 H new ATOM 0 HZ3 LYS A 41 -9.822 1.036 -13.457 1.00 73.10 H new ATOM 685 N ILE A 42 -4.400 1.468 -7.221 1.00 3.14 N ATOM 686 CA ILE A 42 -3.358 1.168 -6.211 1.00 70.04 C ATOM 687 C ILE A 42 -2.973 2.428 -5.384 1.00 15.53 C ATOM 688 O ILE A 42 -2.770 2.335 -4.174 1.00 50.21 O ATOM 689 CB ILE A 42 -2.085 0.530 -6.902 1.00 31.32 C ATOM 690 CG1 ILE A 42 -2.472 -0.830 -7.589 1.00 61.13 C ATOM 691 CG2 ILE A 42 -0.903 0.338 -5.906 1.00 71.25 C ATOM 692 CD1 ILE A 42 -1.378 -1.476 -8.434 1.00 41.53 C ATOM 0 H ILE A 42 -4.092 1.317 -8.182 1.00 3.14 H new ATOM 0 HA ILE A 42 -3.773 0.442 -5.512 1.00 70.04 H new ATOM 0 HB ILE A 42 -1.737 1.228 -7.664 1.00 31.32 H new ATOM 0 HG12 ILE A 42 -2.772 -1.535 -6.814 1.00 61.13 H new ATOM 0 HG13 ILE A 42 -3.343 -0.662 -8.222 1.00 61.13 H new ATOM 0 HG21 ILE A 42 -0.054 -0.103 -6.429 1.00 71.25 H new ATOM 0 HG22 ILE A 42 -0.613 1.305 -5.494 1.00 71.25 H new ATOM 0 HG23 ILE A 42 -1.213 -0.323 -5.096 1.00 71.25 H new ATOM 0 HD11 ILE A 42 -1.750 -2.407 -8.861 1.00 41.53 H new ATOM 0 HD12 ILE A 42 -1.091 -0.798 -9.237 1.00 41.53 H new ATOM 0 HD13 ILE A 42 -0.510 -1.685 -7.808 1.00 41.53 H new ATOM 704 N TYR A 43 -2.921 3.602 -6.041 1.00 74.13 N ATOM 705 CA TYR A 43 -2.579 4.887 -5.377 1.00 5.14 C ATOM 706 C TYR A 43 -3.653 5.288 -4.335 1.00 31.43 C ATOM 707 O TYR A 43 -3.320 5.669 -3.213 1.00 50.52 O ATOM 708 CB TYR A 43 -2.399 6.027 -6.420 1.00 55.33 C ATOM 709 CG TYR A 43 -1.996 7.384 -5.799 1.00 3.22 C ATOM 710 CD1 TYR A 43 -0.716 7.579 -5.273 1.00 62.35 C ATOM 711 CD2 TYR A 43 -2.903 8.447 -5.705 1.00 60.44 C ATOM 712 CE1 TYR A 43 -0.360 8.777 -4.688 1.00 44.55 C ATOM 713 CE2 TYR A 43 -2.546 9.644 -5.114 1.00 72.33 C ATOM 714 CZ TYR A 43 -1.275 9.804 -4.609 1.00 72.14 C ATOM 715 OH TYR A 43 -0.918 10.998 -4.017 1.00 4.42 O ATOM 0 H TYR A 43 -3.112 3.693 -7.039 1.00 74.13 H new ATOM 0 HA TYR A 43 -1.633 4.738 -4.856 1.00 5.14 H new ATOM 0 HB2 TYR A 43 -1.639 5.729 -7.142 1.00 55.33 H new ATOM 0 HB3 TYR A 43 -3.331 6.153 -6.971 1.00 55.33 H new ATOM 0 HD1 TYR A 43 0.007 6.778 -5.325 1.00 62.35 H new ATOM 0 HD2 TYR A 43 -3.900 8.329 -6.102 1.00 60.44 H new ATOM 0 HE1 TYR A 43 0.636 8.910 -4.292 1.00 44.55 H new ATOM 0 HE2 TYR A 43 -3.261 10.451 -5.048 1.00 72.33 H new ATOM 0 HH TYR A 43 -1.678 11.617 -4.044 1.00 4.42 H new ATOM 725 N ARG A 44 -4.936 5.196 -4.734 1.00 25.01 N ATOM 726 CA ARG A 44 -6.089 5.547 -3.863 1.00 22.13 C ATOM 727 C ARG A 44 -6.214 4.579 -2.657 1.00 44.03 C ATOM 728 O ARG A 44 -6.521 5.000 -1.537 1.00 41.30 O ATOM 729 CB ARG A 44 -7.401 5.555 -4.696 1.00 51.42 C ATOM 730 CG ARG A 44 -7.438 6.622 -5.816 1.00 65.12 C ATOM 731 CD ARG A 44 -8.699 6.526 -6.705 1.00 13.33 C ATOM 732 NE ARG A 44 -9.947 6.757 -5.951 1.00 74.45 N ATOM 733 CZ ARG A 44 -11.171 6.584 -6.414 1.00 52.33 C ATOM 734 NH1 ARG A 44 -11.388 6.176 -7.627 1.00 21.15 N ATOM 735 NH2 ARG A 44 -12.174 6.819 -5.637 1.00 53.14 N ATOM 0 H ARG A 44 -5.208 4.878 -5.664 1.00 25.01 H new ATOM 0 HA ARG A 44 -5.915 6.545 -3.461 1.00 22.13 H new ATOM 0 HB2 ARG A 44 -7.539 4.571 -5.143 1.00 51.42 H new ATOM 0 HB3 ARG A 44 -8.243 5.721 -4.024 1.00 51.42 H new ATOM 0 HG2 ARG A 44 -7.393 7.614 -5.366 1.00 65.12 H new ATOM 0 HG3 ARG A 44 -6.551 6.515 -6.441 1.00 65.12 H new ATOM 0 HD2 ARG A 44 -8.626 7.256 -7.511 1.00 13.33 H new ATOM 0 HD3 ARG A 44 -8.737 5.541 -7.169 1.00 13.33 H new ATOM 0 HE ARG A 44 -9.855 7.079 -4.987 1.00 74.45 H new ATOM 0 HH11 ARG A 44 -10.602 5.981 -8.248 1.00 21.15 H new ATOM 0 HH12 ARG A 44 -12.344 6.051 -7.960 1.00 21.15 H new ATOM 0 HH21 ARG A 44 -12.015 7.134 -4.680 1.00 53.14 H new ATOM 0 HH22 ARG A 44 -13.126 6.690 -5.980 1.00 53.14 H new ATOM 749 N LEU A 45 -5.950 3.283 -2.904 1.00 75.44 N ATOM 750 CA LEU A 45 -5.985 2.232 -1.858 1.00 42.33 C ATOM 751 C LEU A 45 -4.837 2.406 -0.830 1.00 12.12 C ATOM 752 O LEU A 45 -5.055 2.271 0.374 1.00 54.11 O ATOM 753 CB LEU A 45 -5.944 0.826 -2.518 1.00 1.42 C ATOM 754 CG LEU A 45 -7.195 0.459 -3.390 1.00 71.24 C ATOM 755 CD1 LEU A 45 -7.048 -0.924 -4.064 1.00 70.32 C ATOM 756 CD2 LEU A 45 -8.493 0.536 -2.563 1.00 52.33 C ATOM 0 H LEU A 45 -5.707 2.931 -3.830 1.00 75.44 H new ATOM 0 HA LEU A 45 -6.919 2.331 -1.306 1.00 42.33 H new ATOM 0 HB2 LEU A 45 -5.054 0.762 -3.144 1.00 1.42 H new ATOM 0 HB3 LEU A 45 -5.836 0.077 -1.733 1.00 1.42 H new ATOM 0 HG LEU A 45 -7.256 1.200 -4.187 1.00 71.24 H new ATOM 0 HD11 LEU A 45 -7.937 -1.136 -4.657 1.00 70.32 H new ATOM 0 HD12 LEU A 45 -6.172 -0.922 -4.712 1.00 70.32 H new ATOM 0 HD13 LEU A 45 -6.931 -1.691 -3.299 1.00 70.32 H new ATOM 0 HD21 LEU A 45 -9.343 0.276 -3.194 1.00 52.33 H new ATOM 0 HD22 LEU A 45 -8.435 -0.162 -1.728 1.00 52.33 H new ATOM 0 HD23 LEU A 45 -8.621 1.549 -2.181 1.00 52.33 H new ATOM 768 N VAL A 46 -3.625 2.730 -1.320 1.00 70.44 N ATOM 769 CA VAL A 46 -2.452 3.043 -0.459 1.00 75.10 C ATOM 770 C VAL A 46 -2.651 4.382 0.309 1.00 41.13 C ATOM 771 O VAL A 46 -2.214 4.519 1.455 1.00 54.32 O ATOM 772 CB VAL A 46 -1.119 3.074 -1.303 1.00 75.32 C ATOM 773 CG1 VAL A 46 0.062 3.685 -0.506 1.00 0.44 C ATOM 774 CG2 VAL A 46 -0.758 1.649 -1.804 1.00 40.54 C ATOM 0 H VAL A 46 -3.425 2.784 -2.319 1.00 70.44 H new ATOM 0 HA VAL A 46 -2.367 2.246 0.279 1.00 75.10 H new ATOM 0 HB VAL A 46 -1.296 3.718 -2.164 1.00 75.32 H new ATOM 0 HG11 VAL A 46 0.958 3.686 -1.127 1.00 0.44 H new ATOM 0 HG12 VAL A 46 -0.182 4.708 -0.220 1.00 0.44 H new ATOM 0 HG13 VAL A 46 0.242 3.091 0.390 1.00 0.44 H new ATOM 0 HG21 VAL A 46 0.164 1.690 -2.384 1.00 40.54 H new ATOM 0 HG22 VAL A 46 -0.620 0.987 -0.949 1.00 40.54 H new ATOM 0 HG23 VAL A 46 -1.564 1.269 -2.431 1.00 40.54 H new ATOM 784 N HIS A 47 -3.325 5.349 -0.337 1.00 23.43 N ATOM 785 CA HIS A 47 -3.689 6.651 0.282 1.00 65.23 C ATOM 786 C HIS A 47 -4.635 6.409 1.488 1.00 13.41 C ATOM 787 O HIS A 47 -4.546 7.094 2.516 1.00 54.25 O ATOM 788 CB HIS A 47 -4.358 7.566 -0.793 1.00 43.51 C ATOM 789 CG HIS A 47 -4.529 9.034 -0.432 1.00 23.14 C ATOM 790 ND1 HIS A 47 -4.231 10.053 -1.315 1.00 45.33 N ATOM 791 CD2 HIS A 47 -5.018 9.655 0.675 1.00 24.24 C ATOM 792 CE1 HIS A 47 -4.534 11.215 -0.775 1.00 54.14 C ATOM 793 NE2 HIS A 47 -5.009 11.002 0.428 1.00 34.45 N ATOM 0 H HIS A 47 -3.636 5.257 -1.304 1.00 23.43 H new ATOM 0 HA HIS A 47 -2.795 7.154 0.651 1.00 65.23 H new ATOM 0 HB2 HIS A 47 -3.765 7.507 -1.706 1.00 43.51 H new ATOM 0 HB3 HIS A 47 -5.341 7.156 -1.024 1.00 43.51 H new ATOM 0 HD2 HIS A 47 -5.352 9.174 1.582 1.00 24.24 H new ATOM 0 HE1 HIS A 47 -4.412 12.180 -1.244 1.00 54.14 H new ATOM 0 HE2 HIS A 47 -5.322 11.724 1.077 1.00 34.45 H new ATOM 802 N THR A 48 -5.530 5.412 1.338 1.00 31.30 N ATOM 803 CA THR A 48 -6.435 4.962 2.417 1.00 15.02 C ATOM 804 C THR A 48 -5.628 4.308 3.570 1.00 71.12 C ATOM 805 O THR A 48 -5.827 4.659 4.730 1.00 61.43 O ATOM 806 CB THR A 48 -7.513 3.957 1.879 1.00 33.42 C ATOM 807 OG1 THR A 48 -8.256 4.546 0.798 1.00 54.13 O ATOM 808 CG2 THR A 48 -8.502 3.517 2.974 1.00 4.31 C ATOM 0 H THR A 48 -5.646 4.896 0.466 1.00 31.30 H new ATOM 0 HA THR A 48 -6.952 5.842 2.800 1.00 15.02 H new ATOM 0 HB THR A 48 -6.970 3.078 1.531 1.00 33.42 H new ATOM 0 HG1 THR A 48 -7.661 4.690 0.033 1.00 54.13 H new ATOM 0 HG21 THR A 48 -9.228 2.822 2.551 1.00 4.31 H new ATOM 0 HG22 THR A 48 -7.957 3.026 3.781 1.00 4.31 H new ATOM 0 HG23 THR A 48 -9.022 4.391 3.367 1.00 4.31 H new ATOM 816 N MET A 49 -4.697 3.378 3.225 1.00 61.44 N ATOM 817 CA MET A 49 -3.810 2.679 4.213 1.00 0.03 C ATOM 818 C MET A 49 -3.023 3.691 5.072 1.00 62.25 C ATOM 819 O MET A 49 -2.931 3.547 6.291 1.00 15.03 O ATOM 820 CB MET A 49 -2.787 1.763 3.488 1.00 64.30 C ATOM 821 CG MET A 49 -3.388 0.692 2.599 1.00 23.11 C ATOM 822 SD MET A 49 -2.145 -0.217 1.667 1.00 63.22 S ATOM 823 CE MET A 49 -3.186 -1.188 0.588 1.00 21.20 C ATOM 0 H MET A 49 -4.536 3.088 2.260 1.00 61.44 H new ATOM 0 HA MET A 49 -4.459 2.081 4.852 1.00 0.03 H new ATOM 0 HB2 MET A 49 -2.131 2.388 2.882 1.00 64.30 H new ATOM 0 HB3 MET A 49 -2.162 1.279 4.239 1.00 64.30 H new ATOM 0 HG2 MET A 49 -3.958 -0.006 3.213 1.00 23.11 H new ATOM 0 HG3 MET A 49 -4.090 1.154 1.905 1.00 23.11 H new ATOM 0 HE1 MET A 49 -2.563 -1.769 -0.092 1.00 21.20 H new ATOM 0 HE2 MET A 49 -3.799 -1.863 1.185 1.00 21.20 H new ATOM 0 HE3 MET A 49 -3.832 -0.525 0.012 1.00 21.20 H new ATOM 833 N LYS A 50 -2.458 4.693 4.383 1.00 71.04 N ATOM 834 CA LYS A 50 -1.722 5.820 4.984 1.00 43.11 C ATOM 835 C LYS A 50 -2.588 6.554 6.029 1.00 13.42 C ATOM 836 O LYS A 50 -2.197 6.699 7.182 1.00 62.10 O ATOM 837 CB LYS A 50 -1.298 6.792 3.853 1.00 72.12 C ATOM 838 CG LYS A 50 -0.477 8.024 4.299 1.00 1.52 C ATOM 839 CD LYS A 50 -0.204 9.004 3.134 1.00 64.00 C ATOM 840 CE LYS A 50 0.560 10.268 3.564 1.00 43.22 C ATOM 841 NZ LYS A 50 -0.202 11.088 4.543 1.00 73.25 N ATOM 0 H LYS A 50 -2.500 4.745 3.365 1.00 71.04 H new ATOM 0 HA LYS A 50 -0.840 5.441 5.500 1.00 43.11 H new ATOM 0 HB2 LYS A 50 -0.714 6.235 3.121 1.00 72.12 H new ATOM 0 HB3 LYS A 50 -2.196 7.142 3.344 1.00 72.12 H new ATOM 0 HG2 LYS A 50 -1.013 8.546 5.092 1.00 1.52 H new ATOM 0 HG3 LYS A 50 0.472 7.692 4.721 1.00 1.52 H new ATOM 0 HD2 LYS A 50 0.367 8.488 2.362 1.00 64.00 H new ATOM 0 HD3 LYS A 50 -1.153 9.297 2.686 1.00 64.00 H new ATOM 0 HE2 LYS A 50 1.516 9.980 4.002 1.00 43.22 H new ATOM 0 HE3 LYS A 50 0.782 10.872 2.684 1.00 43.22 H new ATOM 0 HZ1 LYS A 50 -0.136 12.092 4.280 1.00 73.25 H new ATOM 0 HZ2 LYS A 50 -1.200 10.794 4.540 1.00 73.25 H new ATOM 0 HZ3 LYS A 50 0.196 10.952 5.494 1.00 73.25 H new ATOM 855 N GLU A 51 -3.788 6.961 5.608 1.00 74.32 N ATOM 856 CA GLU A 51 -4.743 7.690 6.455 1.00 73.31 C ATOM 857 C GLU A 51 -5.228 6.830 7.670 1.00 72.15 C ATOM 858 O GLU A 51 -5.489 7.363 8.758 1.00 21.14 O ATOM 859 CB GLU A 51 -5.928 8.146 5.563 1.00 64.04 C ATOM 860 CG GLU A 51 -6.970 9.019 6.274 1.00 54.44 C ATOM 861 CD GLU A 51 -8.062 9.564 5.339 1.00 34.04 C ATOM 862 OE1 GLU A 51 -7.846 10.626 4.708 1.00 62.32 O ATOM 863 OE2 GLU A 51 -9.138 8.939 5.229 1.00 25.44 O ATOM 0 H GLU A 51 -4.130 6.794 4.662 1.00 74.32 H new ATOM 0 HA GLU A 51 -4.252 8.561 6.890 1.00 73.31 H new ATOM 0 HB2 GLU A 51 -5.532 8.699 4.711 1.00 64.04 H new ATOM 0 HB3 GLU A 51 -6.426 7.262 5.165 1.00 64.04 H new ATOM 0 HG2 GLU A 51 -7.440 8.436 7.066 1.00 54.44 H new ATOM 0 HG3 GLU A 51 -6.463 9.857 6.753 1.00 54.44 H new ATOM 870 N ILE A 52 -5.323 5.495 7.467 1.00 3.33 N ATOM 871 CA ILE A 52 -5.713 4.526 8.527 1.00 61.21 C ATOM 872 C ILE A 52 -4.624 4.429 9.628 1.00 52.21 C ATOM 873 O ILE A 52 -4.923 4.545 10.820 1.00 43.40 O ATOM 874 CB ILE A 52 -6.005 3.085 7.922 1.00 31.11 C ATOM 875 CG1 ILE A 52 -7.313 3.103 7.062 1.00 74.31 C ATOM 876 CG2 ILE A 52 -6.083 1.985 9.020 1.00 62.02 C ATOM 877 CD1 ILE A 52 -7.656 1.784 6.376 1.00 34.13 C ATOM 0 H ILE A 52 -5.132 5.056 6.566 1.00 3.33 H new ATOM 0 HA ILE A 52 -6.632 4.900 8.978 1.00 61.21 H new ATOM 0 HB ILE A 52 -5.163 2.832 7.278 1.00 31.11 H new ATOM 0 HG12 ILE A 52 -8.147 3.388 7.703 1.00 74.31 H new ATOM 0 HG13 ILE A 52 -7.218 3.877 6.300 1.00 74.31 H new ATOM 0 HG21 ILE A 52 -6.284 1.020 8.555 1.00 62.02 H new ATOM 0 HG22 ILE A 52 -5.135 1.939 9.557 1.00 62.02 H new ATOM 0 HG23 ILE A 52 -6.884 2.225 9.719 1.00 62.02 H new ATOM 0 HD11 ILE A 52 -8.578 1.899 5.806 1.00 34.13 H new ATOM 0 HD12 ILE A 52 -6.846 1.502 5.703 1.00 34.13 H new ATOM 0 HD13 ILE A 52 -7.790 1.007 7.128 1.00 34.13 H new ATOM 889 N THR A 53 -3.366 4.211 9.225 1.00 21.30 N ATOM 890 CA THR A 53 -2.247 4.066 10.183 1.00 12.40 C ATOM 891 C THR A 53 -1.940 5.385 10.932 1.00 45.11 C ATOM 892 O THR A 53 -1.596 5.361 12.112 1.00 24.44 O ATOM 893 CB THR A 53 -0.951 3.500 9.518 1.00 14.24 C ATOM 894 OG1 THR A 53 0.117 3.506 10.452 1.00 31.44 O ATOM 895 CG2 THR A 53 -0.505 4.276 8.284 1.00 52.44 C ATOM 0 H THR A 53 -3.091 4.130 8.246 1.00 21.30 H new ATOM 0 HA THR A 53 -2.585 3.334 10.916 1.00 12.40 H new ATOM 0 HB THR A 53 -1.201 2.488 9.201 1.00 14.24 H new ATOM 0 HG1 THR A 53 0.536 4.392 10.464 1.00 31.44 H new ATOM 0 HG21 THR A 53 0.400 3.825 7.878 1.00 52.44 H new ATOM 0 HG22 THR A 53 -1.293 4.248 7.532 1.00 52.44 H new ATOM 0 HG23 THR A 53 -0.302 5.311 8.559 1.00 52.44 H new ATOM 903 N GLU A 54 -2.109 6.533 10.250 1.00 54.21 N ATOM 904 CA GLU A 54 -1.877 7.871 10.852 1.00 45.25 C ATOM 905 C GLU A 54 -2.955 8.242 11.900 1.00 41.21 C ATOM 906 O GLU A 54 -2.635 8.893 12.901 1.00 64.44 O ATOM 907 CB GLU A 54 -1.786 8.952 9.744 1.00 42.45 C ATOM 908 CG GLU A 54 -0.564 8.786 8.814 1.00 13.20 C ATOM 909 CD GLU A 54 -0.540 9.765 7.625 1.00 23.43 C ATOM 910 OE1 GLU A 54 -1.578 9.916 6.950 1.00 52.35 O ATOM 911 OE2 GLU A 54 0.517 10.380 7.346 1.00 23.12 O ATOM 0 H GLU A 54 -2.407 6.566 9.275 1.00 54.21 H new ATOM 0 HA GLU A 54 -0.926 7.828 11.383 1.00 45.25 H new ATOM 0 HB2 GLU A 54 -2.695 8.922 9.144 1.00 42.45 H new ATOM 0 HB3 GLU A 54 -1.745 9.936 10.211 1.00 42.45 H new ATOM 0 HG2 GLU A 54 0.345 8.920 9.400 1.00 13.20 H new ATOM 0 HG3 GLU A 54 -0.549 7.766 8.431 1.00 13.20 H new ATOM 918 N THR A 55 -4.229 7.817 11.683 1.00 42.25 N ATOM 919 CA THR A 55 -5.315 8.046 12.685 1.00 40.11 C ATOM 920 C THR A 55 -5.143 7.127 13.922 1.00 22.34 C ATOM 921 O THR A 55 -5.586 7.463 15.021 1.00 54.04 O ATOM 922 CB THR A 55 -6.768 7.898 12.087 1.00 20.43 C ATOM 923 OG1 THR A 55 -7.735 8.431 13.014 1.00 62.21 O ATOM 924 CG2 THR A 55 -7.151 6.447 11.755 1.00 32.13 C ATOM 0 H THR A 55 -4.529 7.324 10.842 1.00 42.25 H new ATOM 0 HA THR A 55 -5.212 9.086 12.996 1.00 40.11 H new ATOM 0 HB THR A 55 -6.769 8.456 11.151 1.00 20.43 H new ATOM 0 HG1 THR A 55 -8.635 8.338 12.637 1.00 62.21 H new ATOM 0 HG21 THR A 55 -8.162 6.421 11.348 1.00 32.13 H new ATOM 0 HG22 THR A 55 -6.454 6.046 11.019 1.00 32.13 H new ATOM 0 HG23 THR A 55 -7.109 5.843 12.661 1.00 32.13 H new ATOM 932 N MET A 56 -4.475 5.965 13.728 1.00 4.21 N ATOM 933 CA MET A 56 -4.116 5.044 14.838 1.00 44.44 C ATOM 934 C MET A 56 -2.804 5.486 15.554 1.00 63.12 C ATOM 935 O MET A 56 -2.532 5.064 16.687 1.00 44.41 O ATOM 936 CB MET A 56 -3.981 3.590 14.312 1.00 10.21 C ATOM 937 CG MET A 56 -5.256 2.998 13.684 1.00 41.33 C ATOM 938 SD MET A 56 -5.094 1.238 13.299 1.00 45.50 S ATOM 939 CE MET A 56 -3.722 1.210 12.144 1.00 63.32 C ATOM 0 H MET A 56 -4.172 5.640 12.810 1.00 4.21 H new ATOM 0 HA MET A 56 -4.921 5.083 15.572 1.00 44.44 H new ATOM 0 HB2 MET A 56 -3.183 3.562 13.570 1.00 10.21 H new ATOM 0 HB3 MET A 56 -3.671 2.949 15.138 1.00 10.21 H new ATOM 0 HG2 MET A 56 -6.093 3.140 14.368 1.00 41.33 H new ATOM 0 HG3 MET A 56 -5.494 3.545 12.772 1.00 41.33 H new ATOM 0 HE1 MET A 56 -3.562 0.190 11.794 1.00 63.32 H new ATOM 0 HE2 MET A 56 -3.949 1.854 11.294 1.00 63.32 H new ATOM 0 HE3 MET A 56 -2.821 1.569 12.641 1.00 63.32 H new ATOM 949 N GLY A 57 -1.993 6.326 14.874 1.00 51.03 N ATOM 950 CA GLY A 57 -0.765 6.906 15.462 1.00 12.12 C ATOM 951 C GLY A 57 0.502 6.056 15.256 1.00 63.04 C ATOM 952 O GLY A 57 1.370 6.000 16.133 1.00 22.42 O ATOM 0 H GLY A 57 -2.168 6.619 13.913 1.00 51.03 H new ATOM 0 HA2 GLY A 57 -0.600 7.892 15.029 1.00 12.12 H new ATOM 0 HA3 GLY A 57 -0.922 7.050 16.531 1.00 12.12 H new ATOM 956 N PHE A 58 0.598 5.389 14.098 1.00 62.24 N ATOM 957 CA PHE A 58 1.769 4.571 13.708 1.00 71.32 C ATOM 958 C PHE A 58 2.602 5.289 12.624 1.00 13.14 C ATOM 959 O PHE A 58 2.224 5.302 11.445 1.00 31.21 O ATOM 960 CB PHE A 58 1.297 3.192 13.187 1.00 43.42 C ATOM 961 CG PHE A 58 0.717 2.266 14.244 1.00 44.43 C ATOM 962 CD1 PHE A 58 1.541 1.417 14.977 1.00 52.02 C ATOM 963 CD2 PHE A 58 -0.651 2.246 14.508 1.00 1.44 C ATOM 964 CE1 PHE A 58 1.015 0.579 15.934 1.00 33.22 C ATOM 965 CE2 PHE A 58 -1.177 1.407 15.467 1.00 74.22 C ATOM 966 CZ PHE A 58 -0.344 0.575 16.181 1.00 71.14 C ATOM 0 H PHE A 58 -0.140 5.398 13.394 1.00 62.24 H new ATOM 0 HA PHE A 58 2.399 4.428 14.586 1.00 71.32 H new ATOM 0 HB2 PHE A 58 0.545 3.351 12.414 1.00 43.42 H new ATOM 0 HB3 PHE A 58 2.141 2.692 12.712 1.00 43.42 H new ATOM 0 HD1 PHE A 58 2.605 1.416 14.793 1.00 52.02 H new ATOM 0 HD2 PHE A 58 -1.309 2.898 13.953 1.00 1.44 H new ATOM 0 HE1 PHE A 58 1.666 -0.077 16.493 1.00 33.22 H new ATOM 0 HE2 PHE A 58 -2.240 1.402 15.658 1.00 74.22 H new ATOM 0 HZ PHE A 58 -0.754 -0.081 16.935 1.00 71.14 H new ATOM 976 N SER A 59 3.733 5.886 13.032 1.00 51.55 N ATOM 977 CA SER A 59 4.670 6.563 12.100 1.00 45.31 C ATOM 978 C SER A 59 5.484 5.540 11.275 1.00 54.03 C ATOM 979 O SER A 59 5.829 5.796 10.118 1.00 12.55 O ATOM 980 CB SER A 59 5.628 7.492 12.880 1.00 54.33 C ATOM 981 OG SER A 59 4.911 8.475 13.613 1.00 21.43 O ATOM 0 H SER A 59 4.029 5.917 14.008 1.00 51.55 H new ATOM 0 HA SER A 59 4.075 7.160 11.409 1.00 45.31 H new ATOM 0 HB2 SER A 59 6.237 6.899 13.562 1.00 54.33 H new ATOM 0 HB3 SER A 59 6.311 7.980 12.185 1.00 54.33 H new ATOM 0 HG SER A 59 5.542 9.047 14.098 1.00 21.43 H new ATOM 987 N SER A 60 5.769 4.378 11.895 1.00 61.33 N ATOM 988 CA SER A 60 6.551 3.282 11.268 1.00 72.21 C ATOM 989 C SER A 60 5.843 2.731 10.012 1.00 73.23 C ATOM 990 O SER A 60 6.455 2.611 8.943 1.00 41.00 O ATOM 991 CB SER A 60 6.783 2.146 12.290 1.00 54.13 C ATOM 992 OG SER A 60 7.584 1.105 11.752 1.00 10.12 O ATOM 0 H SER A 60 5.465 4.168 12.846 1.00 61.33 H new ATOM 0 HA SER A 60 7.513 3.690 10.957 1.00 72.21 H new ATOM 0 HB2 SER A 60 7.264 2.551 13.180 1.00 54.13 H new ATOM 0 HB3 SER A 60 5.822 1.739 12.605 1.00 54.13 H new ATOM 0 HG SER A 60 7.710 0.406 12.428 1.00 10.12 H new ATOM 998 N VAL A 61 4.538 2.431 10.156 1.00 52.31 N ATOM 999 CA VAL A 61 3.704 1.954 9.034 1.00 54.31 C ATOM 1000 C VAL A 61 3.519 3.093 7.997 1.00 10.12 C ATOM 1001 O VAL A 61 3.776 2.902 6.809 1.00 35.02 O ATOM 1002 CB VAL A 61 2.287 1.459 9.514 1.00 63.23 C ATOM 1003 CG1 VAL A 61 1.516 0.741 8.378 1.00 34.31 C ATOM 1004 CG2 VAL A 61 2.370 0.567 10.777 1.00 10.54 C ATOM 0 H VAL A 61 4.037 2.511 11.041 1.00 52.31 H new ATOM 0 HA VAL A 61 4.221 1.107 8.583 1.00 54.31 H new ATOM 0 HB VAL A 61 1.726 2.353 9.788 1.00 63.23 H new ATOM 0 HG11 VAL A 61 0.544 0.414 8.748 1.00 34.31 H new ATOM 0 HG12 VAL A 61 1.375 1.428 7.544 1.00 34.31 H new ATOM 0 HG13 VAL A 61 2.086 -0.125 8.042 1.00 34.31 H new ATOM 0 HG21 VAL A 61 1.367 0.252 11.067 1.00 10.54 H new ATOM 0 HG22 VAL A 61 2.978 -0.312 10.563 1.00 10.54 H new ATOM 0 HG23 VAL A 61 2.823 1.132 11.592 1.00 10.54 H new ATOM 1014 N ALA A 62 3.125 4.292 8.492 1.00 12.53 N ATOM 1015 CA ALA A 62 2.807 5.478 7.642 1.00 22.31 C ATOM 1016 C ALA A 62 3.936 5.852 6.670 1.00 52.32 C ATOM 1017 O ALA A 62 3.659 6.235 5.534 1.00 72.02 O ATOM 1018 CB ALA A 62 2.466 6.699 8.513 1.00 42.21 C ATOM 0 H ALA A 62 3.017 4.469 9.491 1.00 12.53 H new ATOM 0 HA ALA A 62 1.943 5.189 7.044 1.00 22.31 H new ATOM 0 HB1 ALA A 62 2.238 7.551 7.872 1.00 42.21 H new ATOM 0 HB2 ALA A 62 1.601 6.471 9.136 1.00 42.21 H new ATOM 0 HB3 ALA A 62 3.317 6.941 9.149 1.00 42.21 H new ATOM 1024 N LYS A 63 5.199 5.746 7.131 1.00 43.22 N ATOM 1025 CA LYS A 63 6.382 6.061 6.299 1.00 64.42 C ATOM 1026 C LYS A 63 6.489 5.110 5.084 1.00 74.32 C ATOM 1027 O LYS A 63 6.784 5.550 3.970 1.00 62.24 O ATOM 1028 CB LYS A 63 7.688 6.019 7.139 1.00 4.13 C ATOM 1029 CG LYS A 63 8.955 6.425 6.341 1.00 72.22 C ATOM 1030 CD LYS A 63 10.235 6.471 7.200 1.00 5.43 C ATOM 1031 CE LYS A 63 11.468 6.934 6.398 1.00 44.23 C ATOM 1032 NZ LYS A 63 12.677 7.053 7.253 1.00 40.34 N ATOM 0 H LYS A 63 5.428 5.444 8.078 1.00 43.22 H new ATOM 0 HA LYS A 63 6.251 7.075 5.922 1.00 64.42 H new ATOM 0 HB2 LYS A 63 7.580 6.684 7.996 1.00 4.13 H new ATOM 0 HB3 LYS A 63 7.824 5.012 7.533 1.00 4.13 H new ATOM 0 HG2 LYS A 63 9.101 5.719 5.523 1.00 72.22 H new ATOM 0 HG3 LYS A 63 8.793 7.405 5.892 1.00 72.22 H new ATOM 0 HD2 LYS A 63 10.079 7.145 8.042 1.00 5.43 H new ATOM 0 HD3 LYS A 63 10.426 5.481 7.615 1.00 5.43 H new ATOM 0 HE2 LYS A 63 11.663 6.226 5.592 1.00 44.23 H new ATOM 0 HE3 LYS A 63 11.257 7.897 5.933 1.00 44.23 H new ATOM 0 HZ1 LYS A 63 13.482 7.367 6.674 1.00 40.34 H new ATOM 0 HZ2 LYS A 63 12.502 7.747 8.007 1.00 40.34 H new ATOM 0 HZ3 LYS A 63 12.895 6.129 7.677 1.00 40.34 H new ATOM 1046 N VAL A 64 6.208 3.813 5.311 1.00 54.31 N ATOM 1047 CA VAL A 64 6.239 2.779 4.247 1.00 41.25 C ATOM 1048 C VAL A 64 5.219 3.108 3.125 1.00 31.12 C ATOM 1049 O VAL A 64 5.540 3.044 1.941 1.00 44.30 O ATOM 1050 CB VAL A 64 5.935 1.344 4.819 1.00 24.31 C ATOM 1051 CG1 VAL A 64 6.045 0.268 3.717 1.00 32.45 C ATOM 1052 CG2 VAL A 64 6.858 0.998 6.014 1.00 60.34 C ATOM 0 H VAL A 64 5.954 3.449 6.229 1.00 54.31 H new ATOM 0 HA VAL A 64 7.248 2.782 3.834 1.00 41.25 H new ATOM 0 HB VAL A 64 4.908 1.354 5.184 1.00 24.31 H new ATOM 0 HG11 VAL A 64 5.830 -0.712 4.143 1.00 32.45 H new ATOM 0 HG12 VAL A 64 5.329 0.485 2.924 1.00 32.45 H new ATOM 0 HG13 VAL A 64 7.054 0.271 3.305 1.00 32.45 H new ATOM 0 HG21 VAL A 64 6.618 0.000 6.382 1.00 60.34 H new ATOM 0 HG22 VAL A 64 7.898 1.025 5.690 1.00 60.34 H new ATOM 0 HG23 VAL A 64 6.708 1.725 6.812 1.00 60.34 H new ATOM 1062 N LEU A 65 3.998 3.481 3.525 1.00 45.43 N ATOM 1063 CA LEU A 65 2.921 3.872 2.581 1.00 40.42 C ATOM 1064 C LEU A 65 3.218 5.246 1.945 1.00 50.11 C ATOM 1065 O LEU A 65 2.858 5.492 0.799 1.00 11.01 O ATOM 1066 CB LEU A 65 1.532 3.899 3.290 1.00 0.30 C ATOM 1067 CG LEU A 65 0.925 2.520 3.710 1.00 33.24 C ATOM 1068 CD1 LEU A 65 0.746 1.585 2.496 1.00 41.02 C ATOM 1069 CD2 LEU A 65 1.751 1.838 4.802 1.00 43.41 C ATOM 0 H LEU A 65 3.720 3.523 4.505 1.00 45.43 H new ATOM 0 HA LEU A 65 2.889 3.122 1.791 1.00 40.42 H new ATOM 0 HB2 LEU A 65 1.619 4.518 4.183 1.00 0.30 H new ATOM 0 HB3 LEU A 65 0.822 4.394 2.627 1.00 0.30 H new ATOM 0 HG LEU A 65 -0.061 2.727 4.125 1.00 33.24 H new ATOM 0 HD11 LEU A 65 0.322 0.637 2.826 1.00 41.02 H new ATOM 0 HD12 LEU A 65 0.075 2.050 1.774 1.00 41.02 H new ATOM 0 HD13 LEU A 65 1.714 1.406 2.028 1.00 41.02 H new ATOM 0 HD21 LEU A 65 1.293 0.884 5.062 1.00 43.41 H new ATOM 0 HD22 LEU A 65 2.764 1.667 4.438 1.00 43.41 H new ATOM 0 HD23 LEU A 65 1.786 2.477 5.684 1.00 43.41 H new ATOM 1081 N HIS A 66 3.902 6.120 2.704 1.00 30.40 N ATOM 1082 CA HIS A 66 4.301 7.472 2.251 1.00 4.12 C ATOM 1083 C HIS A 66 5.316 7.386 1.084 1.00 33.41 C ATOM 1084 O HIS A 66 5.365 8.275 0.224 1.00 10.21 O ATOM 1085 CB HIS A 66 4.881 8.270 3.448 1.00 42.50 C ATOM 1086 CG HIS A 66 5.097 9.740 3.196 1.00 14.54 C ATOM 1087 ND1 HIS A 66 4.247 10.788 3.315 1.00 33.21 N flip ATOM 1088 CD2 HIS A 66 6.299 10.275 2.782 1.00 62.12 C flip ATOM 1089 CE1 HIS A 66 4.946 11.914 2.971 1.00 32.11 C flip ATOM 1090 NE2 HIS A 66 6.178 11.580 2.654 1.00 5.04 N flip ATOM 0 H HIS A 66 4.198 5.910 3.657 1.00 30.40 H new ATOM 0 HA HIS A 66 3.423 7.997 1.876 1.00 4.12 H new ATOM 0 HB2 HIS A 66 4.208 8.159 4.298 1.00 42.50 H new ATOM 0 HB3 HIS A 66 5.833 7.823 3.734 1.00 42.50 H new ATOM 0 HD2 HIS A 66 7.200 9.711 2.592 1.00 62.12 H new ATOM 0 HE1 HIS A 66 4.548 12.918 2.961 1.00 32.11 H new ATOM 0 HE2 HIS A 66 6.914 12.222 2.359 1.00 5.04 H new ATOM 1099 N THR A 67 6.121 6.295 1.055 1.00 2.11 N ATOM 1100 CA THR A 67 7.075 6.057 -0.065 1.00 14.24 C ATOM 1101 C THR A 67 6.318 5.636 -1.339 1.00 22.43 C ATOM 1102 O THR A 67 6.703 6.009 -2.446 1.00 1.32 O ATOM 1103 CB THR A 67 8.163 4.965 0.243 1.00 4.04 C ATOM 1104 OG1 THR A 67 7.595 3.646 0.238 1.00 74.02 O ATOM 1105 CG2 THR A 67 8.850 5.196 1.586 1.00 21.43 C ATOM 0 H THR A 67 6.132 5.576 1.778 1.00 2.11 H new ATOM 0 HA THR A 67 7.591 7.007 -0.207 1.00 14.24 H new ATOM 0 HB THR A 67 8.906 5.049 -0.550 1.00 4.04 H new ATOM 0 HG1 THR A 67 6.876 3.597 0.902 1.00 74.02 H new ATOM 0 HG21 THR A 67 9.593 4.416 1.754 1.00 21.43 H new ATOM 0 HG22 THR A 67 9.341 6.169 1.581 1.00 21.43 H new ATOM 0 HG23 THR A 67 8.108 5.168 2.384 1.00 21.43 H new ATOM 1113 N ILE A 68 5.228 4.860 -1.155 1.00 13.20 N ATOM 1114 CA ILE A 68 4.400 4.336 -2.271 1.00 44.33 C ATOM 1115 C ILE A 68 3.528 5.463 -2.879 1.00 2.33 C ATOM 1116 O ILE A 68 3.268 5.481 -4.075 1.00 34.12 O ATOM 1117 CB ILE A 68 3.483 3.141 -1.809 1.00 44.33 C ATOM 1118 CG1 ILE A 68 4.256 2.139 -0.895 1.00 12.50 C ATOM 1119 CG2 ILE A 68 2.863 2.402 -3.020 1.00 13.20 C ATOM 1120 CD1 ILE A 68 5.543 1.593 -1.477 1.00 12.35 C ATOM 0 H ILE A 68 4.895 4.578 -0.233 1.00 13.20 H new ATOM 0 HA ILE A 68 5.085 3.961 -3.031 1.00 44.33 H new ATOM 0 HB ILE A 68 2.672 3.573 -1.222 1.00 44.33 H new ATOM 0 HG12 ILE A 68 4.485 2.635 0.048 1.00 12.50 H new ATOM 0 HG13 ILE A 68 3.597 1.302 -0.663 1.00 12.50 H new ATOM 0 HG21 ILE A 68 2.236 1.584 -2.665 1.00 13.20 H new ATOM 0 HG22 ILE A 68 2.257 3.098 -3.600 1.00 13.20 H new ATOM 0 HG23 ILE A 68 3.659 2.003 -3.649 1.00 13.20 H new ATOM 0 HD11 ILE A 68 6.002 0.907 -0.765 1.00 12.35 H new ATOM 0 HD12 ILE A 68 5.327 1.062 -2.404 1.00 12.35 H new ATOM 0 HD13 ILE A 68 6.228 2.416 -1.682 1.00 12.35 H new ATOM 1132 N MET A 69 3.086 6.395 -2.020 1.00 33.34 N ATOM 1133 CA MET A 69 2.386 7.634 -2.440 1.00 63.02 C ATOM 1134 C MET A 69 3.265 8.443 -3.415 1.00 13.21 C ATOM 1135 O MET A 69 2.823 8.841 -4.484 1.00 74.55 O ATOM 1136 CB MET A 69 2.052 8.495 -1.200 1.00 53.43 C ATOM 1137 CG MET A 69 1.040 7.870 -0.241 1.00 52.51 C ATOM 1138 SD MET A 69 -0.669 8.053 -0.786 1.00 4.44 S ATOM 1139 CE MET A 69 -0.898 9.828 -0.653 1.00 32.11 C ATOM 0 H MET A 69 3.201 6.316 -1.010 1.00 33.34 H new ATOM 0 HA MET A 69 1.461 7.358 -2.947 1.00 63.02 H new ATOM 0 HB2 MET A 69 2.974 8.694 -0.654 1.00 53.43 H new ATOM 0 HB3 MET A 69 1.667 9.458 -1.536 1.00 53.43 H new ATOM 0 HG2 MET A 69 1.266 6.810 -0.126 1.00 52.51 H new ATOM 0 HG3 MET A 69 1.151 8.328 0.742 1.00 52.51 H new ATOM 0 HE1 MET A 69 -1.762 10.037 -0.023 1.00 32.11 H new ATOM 0 HE2 MET A 69 -0.009 10.277 -0.211 1.00 32.11 H new ATOM 0 HE3 MET A 69 -1.062 10.249 -1.645 1.00 32.11 H new ATOM 1149 N ASN A 70 4.527 8.647 -3.017 1.00 22.41 N ATOM 1150 CA ASN A 70 5.542 9.336 -3.840 1.00 74.34 C ATOM 1151 C ASN A 70 5.846 8.541 -5.143 1.00 14.04 C ATOM 1152 O ASN A 70 5.971 9.116 -6.228 1.00 71.41 O ATOM 1153 CB ASN A 70 6.825 9.509 -2.993 1.00 62.35 C ATOM 1154 CG ASN A 70 7.944 10.289 -3.701 1.00 35.44 C ATOM 1155 OD1 ASN A 70 7.699 11.187 -4.504 1.00 45.20 O ATOM 1156 ND2 ASN A 70 9.181 9.945 -3.410 1.00 11.24 N ATOM 0 H ASN A 70 4.879 8.339 -2.111 1.00 22.41 H new ATOM 0 HA ASN A 70 5.161 10.312 -4.142 1.00 74.34 H new ATOM 0 HB2 ASN A 70 6.569 10.023 -2.066 1.00 62.35 H new ATOM 0 HB3 ASN A 70 7.201 8.524 -2.718 1.00 62.35 H new ATOM 0 HD21 ASN A 70 9.962 10.427 -3.854 1.00 11.24 H new ATOM 0 HD22 ASN A 70 9.358 9.196 -2.740 1.00 11.24 H new ATOM 1163 N LEU A 71 5.921 7.209 -5.002 1.00 3.45 N ATOM 1164 CA LEU A 71 6.335 6.286 -6.082 1.00 33.42 C ATOM 1165 C LEU A 71 5.286 6.261 -7.232 1.00 23.23 C ATOM 1166 O LEU A 71 5.599 6.579 -8.387 1.00 15.02 O ATOM 1167 CB LEU A 71 6.544 4.861 -5.452 1.00 63.31 C ATOM 1168 CG LEU A 71 7.526 3.872 -6.167 1.00 31.12 C ATOM 1169 CD1 LEU A 71 7.759 2.605 -5.308 1.00 24.15 C ATOM 1170 CD2 LEU A 71 7.038 3.481 -7.571 1.00 50.22 C ATOM 0 H LEU A 71 5.695 6.733 -4.129 1.00 3.45 H new ATOM 0 HA LEU A 71 7.269 6.626 -6.528 1.00 33.42 H new ATOM 0 HB2 LEU A 71 6.895 4.997 -4.429 1.00 63.31 H new ATOM 0 HB3 LEU A 71 5.569 4.377 -5.392 1.00 63.31 H new ATOM 0 HG LEU A 71 8.473 4.399 -6.284 1.00 31.12 H new ATOM 0 HD11 LEU A 71 8.444 1.935 -5.827 1.00 24.15 H new ATOM 0 HD12 LEU A 71 8.188 2.890 -4.348 1.00 24.15 H new ATOM 0 HD13 LEU A 71 6.809 2.097 -5.144 1.00 24.15 H new ATOM 0 HD21 LEU A 71 7.752 2.794 -8.026 1.00 50.22 H new ATOM 0 HD22 LEU A 71 6.065 2.996 -7.496 1.00 50.22 H new ATOM 0 HD23 LEU A 71 6.951 4.375 -8.188 1.00 50.22 H new ATOM 1182 N VAL A 72 4.049 5.884 -6.883 1.00 14.10 N ATOM 1183 CA VAL A 72 2.931 5.733 -7.841 1.00 4.42 C ATOM 1184 C VAL A 72 2.460 7.094 -8.427 1.00 21.41 C ATOM 1185 O VAL A 72 2.042 7.160 -9.589 1.00 33.12 O ATOM 1186 CB VAL A 72 1.722 4.975 -7.181 1.00 41.33 C ATOM 1187 CG1 VAL A 72 0.614 4.701 -8.220 1.00 4.53 C ATOM 1188 CG2 VAL A 72 2.181 3.651 -6.514 1.00 21.24 C ATOM 0 H VAL A 72 3.787 5.672 -5.920 1.00 14.10 H new ATOM 0 HA VAL A 72 3.312 5.138 -8.671 1.00 4.42 H new ATOM 0 HB VAL A 72 1.315 5.619 -6.402 1.00 41.33 H new ATOM 0 HG11 VAL A 72 -0.212 4.176 -7.741 1.00 4.53 H new ATOM 0 HG12 VAL A 72 0.256 5.646 -8.627 1.00 4.53 H new ATOM 0 HG13 VAL A 72 1.015 4.087 -9.026 1.00 4.53 H new ATOM 0 HG21 VAL A 72 1.321 3.152 -6.067 1.00 21.24 H new ATOM 0 HG22 VAL A 72 2.628 3.001 -7.266 1.00 21.24 H new ATOM 0 HG23 VAL A 72 2.916 3.870 -5.740 1.00 21.24 H new ATOM 1198 N ASP A 73 2.548 8.179 -7.629 1.00 13.04 N ATOM 1199 CA ASP A 73 2.268 9.555 -8.118 1.00 11.33 C ATOM 1200 C ASP A 73 3.210 9.922 -9.298 1.00 52.22 C ATOM 1201 O ASP A 73 2.786 10.509 -10.295 1.00 5.12 O ATOM 1202 CB ASP A 73 2.428 10.577 -6.969 1.00 72.30 C ATOM 1203 CG ASP A 73 2.043 12.010 -7.368 1.00 42.51 C ATOM 1204 OD1 ASP A 73 0.833 12.303 -7.456 1.00 44.53 O ATOM 1205 OD2 ASP A 73 2.947 12.846 -7.606 1.00 44.13 O ATOM 0 H ASP A 73 2.810 8.134 -6.644 1.00 13.04 H new ATOM 0 HA ASP A 73 1.239 9.587 -8.476 1.00 11.33 H new ATOM 0 HB2 ASP A 73 1.811 10.264 -6.126 1.00 72.30 H new ATOM 0 HB3 ASP A 73 3.463 10.569 -6.627 1.00 72.30 H new ATOM 1210 N LYS A 74 4.493 9.531 -9.162 1.00 44.43 N ATOM 1211 CA LYS A 74 5.516 9.684 -10.226 1.00 63.20 C ATOM 1212 C LYS A 74 5.244 8.757 -11.434 1.00 40.23 C ATOM 1213 O LYS A 74 5.635 9.072 -12.536 1.00 13.15 O ATOM 1214 CB LYS A 74 6.954 9.450 -9.649 1.00 0.12 C ATOM 1215 CG LYS A 74 7.690 10.731 -9.186 1.00 51.13 C ATOM 1216 CD LYS A 74 6.892 11.565 -8.158 1.00 2.20 C ATOM 1217 CE LYS A 74 7.682 12.779 -7.644 1.00 52.11 C ATOM 1218 NZ LYS A 74 8.936 12.375 -6.954 1.00 30.12 N ATOM 0 H LYS A 74 4.854 9.099 -8.311 1.00 44.43 H new ATOM 0 HA LYS A 74 5.453 10.709 -10.592 1.00 63.20 H new ATOM 0 HB2 LYS A 74 6.883 8.765 -8.804 1.00 0.12 H new ATOM 0 HB3 LYS A 74 7.559 8.957 -10.410 1.00 0.12 H new ATOM 0 HG2 LYS A 74 8.649 10.451 -8.749 1.00 51.13 H new ATOM 0 HG3 LYS A 74 7.905 11.351 -10.056 1.00 51.13 H new ATOM 0 HD2 LYS A 74 5.963 11.907 -8.615 1.00 2.20 H new ATOM 0 HD3 LYS A 74 6.618 10.931 -7.315 1.00 2.20 H new ATOM 0 HE2 LYS A 74 7.923 13.435 -8.480 1.00 52.11 H new ATOM 0 HE3 LYS A 74 7.059 13.353 -6.958 1.00 52.11 H new ATOM 0 HZ1 LYS A 74 9.430 13.222 -6.608 1.00 30.12 H new ATOM 0 HZ2 LYS A 74 8.706 11.756 -6.151 1.00 30.12 H new ATOM 0 HZ3 LYS A 74 9.550 11.864 -7.620 1.00 30.12 H new ATOM 1232 N MET A 75 4.606 7.607 -11.209 1.00 13.31 N ATOM 1233 CA MET A 75 4.241 6.670 -12.300 1.00 22.44 C ATOM 1234 C MET A 75 3.164 7.255 -13.261 1.00 12.23 C ATOM 1235 O MET A 75 3.303 7.163 -14.481 1.00 64.33 O ATOM 1236 CB MET A 75 3.742 5.335 -11.700 1.00 14.31 C ATOM 1237 CG MET A 75 4.813 4.525 -10.964 1.00 60.20 C ATOM 1238 SD MET A 75 4.126 3.011 -10.260 1.00 23.40 S ATOM 1239 CE MET A 75 5.526 1.904 -10.319 1.00 30.43 C ATOM 0 H MET A 75 4.326 7.291 -10.280 1.00 13.31 H new ATOM 0 HA MET A 75 5.140 6.502 -12.893 1.00 22.44 H new ATOM 0 HB2 MET A 75 2.926 5.545 -11.009 1.00 14.31 H new ATOM 0 HB3 MET A 75 3.330 4.723 -12.502 1.00 14.31 H new ATOM 0 HG2 MET A 75 5.619 4.274 -11.653 1.00 60.20 H new ATOM 0 HG3 MET A 75 5.249 5.132 -10.170 1.00 60.20 H new ATOM 0 HE1 MET A 75 5.342 1.124 -11.058 1.00 30.43 H new ATOM 0 HE2 MET A 75 6.420 2.463 -10.596 1.00 30.43 H new ATOM 0 HE3 MET A 75 5.671 1.449 -9.339 1.00 30.43 H new ATOM 1249 N LEU A 76 2.129 7.896 -12.677 1.00 52.02 N ATOM 1250 CA LEU A 76 0.887 8.366 -13.386 1.00 64.20 C ATOM 1251 C LEU A 76 1.115 9.310 -14.614 1.00 44.01 C ATOM 1252 O LEU A 76 0.180 9.552 -15.386 1.00 32.02 O ATOM 1253 CB LEU A 76 -0.062 9.052 -12.340 1.00 23.33 C ATOM 1254 CG LEU A 76 -1.255 8.176 -11.814 1.00 33.22 C ATOM 1255 CD1 LEU A 76 -0.773 6.840 -11.209 1.00 53.55 C ATOM 1256 CD2 LEU A 76 -2.120 8.954 -10.798 1.00 61.41 C ATOM 0 H LEU A 76 2.119 8.113 -11.680 1.00 52.02 H new ATOM 0 HA LEU A 76 0.437 7.473 -13.819 1.00 64.20 H new ATOM 0 HB2 LEU A 76 0.538 9.364 -11.485 1.00 23.33 H new ATOM 0 HB3 LEU A 76 -0.472 9.956 -12.789 1.00 23.33 H new ATOM 0 HG LEU A 76 -1.874 7.939 -12.679 1.00 33.22 H new ATOM 0 HD11 LEU A 76 -1.632 6.268 -10.859 1.00 53.55 H new ATOM 0 HD12 LEU A 76 -0.241 6.267 -11.969 1.00 53.55 H new ATOM 0 HD13 LEU A 76 -0.105 7.040 -10.372 1.00 53.55 H new ATOM 0 HD21 LEU A 76 -2.936 8.319 -10.454 1.00 61.41 H new ATOM 0 HD22 LEU A 76 -1.506 9.248 -9.947 1.00 61.41 H new ATOM 0 HD23 LEU A 76 -2.529 9.845 -11.275 1.00 61.41 H new ATOM 1268 N ASN A 77 2.330 9.846 -14.776 1.00 51.14 N ATOM 1269 CA ASN A 77 2.666 10.780 -15.885 1.00 33.30 C ATOM 1270 C ASN A 77 3.401 10.079 -17.059 1.00 50.24 C ATOM 1271 O ASN A 77 3.974 8.992 -16.907 1.00 62.31 O ATOM 1272 CB ASN A 77 3.513 11.967 -15.330 1.00 13.10 C ATOM 1273 CG ASN A 77 4.649 11.571 -14.392 1.00 42.12 C ATOM 1274 OD1 ASN A 77 5.362 10.521 -14.711 1.00 74.25 O flip ATOM 1275 ND2 ASN A 77 4.914 12.237 -13.397 1.00 23.41 N flip ATOM 0 H ASN A 77 3.113 9.653 -14.151 1.00 51.14 H new ATOM 0 HA ASN A 77 1.729 11.157 -16.294 1.00 33.30 H new ATOM 0 HB2 ASN A 77 3.933 12.517 -16.172 1.00 13.10 H new ATOM 0 HB3 ASN A 77 2.849 12.651 -14.802 1.00 13.10 H new ATOM 0 HD21 ASN A 77 4.348 13.052 -13.163 1.00 23.41 H new ATOM 0 HD22 ASN A 77 5.701 11.976 -12.803 1.00 23.41 H new ATOM 1282 N SER A 78 3.420 10.761 -18.217 1.00 22.23 N ATOM 1283 CA SER A 78 4.248 10.376 -19.389 1.00 54.41 C ATOM 1284 C SER A 78 5.757 10.678 -19.147 1.00 54.40 C ATOM 1285 O SER A 78 6.622 10.204 -19.888 1.00 30.31 O ATOM 1286 CB SER A 78 3.754 11.145 -20.637 1.00 4.14 C ATOM 1287 OG SER A 78 2.390 10.849 -20.921 1.00 40.11 O ATOM 0 H SER A 78 2.861 11.600 -18.374 1.00 22.23 H new ATOM 0 HA SER A 78 4.144 9.302 -19.544 1.00 54.41 H new ATOM 0 HB2 SER A 78 3.870 12.217 -20.476 1.00 4.14 H new ATOM 0 HB3 SER A 78 4.372 10.883 -21.496 1.00 4.14 H new ATOM 0 HG SER A 78 2.105 11.350 -21.713 1.00 40.11 H new ATOM 1293 N GLU A 79 6.030 11.458 -18.085 1.00 14.02 N ATOM 1294 CA GLU A 79 7.374 11.945 -17.711 1.00 22.30 C ATOM 1295 C GLU A 79 8.327 10.793 -17.282 1.00 44.41 C ATOM 1296 O GLU A 79 9.526 10.808 -17.581 1.00 22.41 O ATOM 1297 CB GLU A 79 7.194 12.959 -16.540 1.00 63.11 C ATOM 1298 CG GLU A 79 6.350 14.209 -16.873 1.00 35.52 C ATOM 1299 CD GLU A 79 7.019 15.145 -17.891 1.00 71.23 C ATOM 1300 OE1 GLU A 79 7.851 15.982 -17.479 1.00 73.23 O ATOM 1301 OE2 GLU A 79 6.738 15.036 -19.106 1.00 62.42 O ATOM 0 H GLU A 79 5.303 11.777 -17.445 1.00 14.02 H new ATOM 0 HA GLU A 79 7.836 12.416 -18.578 1.00 22.30 H new ATOM 0 HB2 GLU A 79 6.730 12.441 -15.701 1.00 63.11 H new ATOM 0 HB3 GLU A 79 8.180 13.284 -16.208 1.00 63.11 H new ATOM 0 HG2 GLU A 79 5.383 13.892 -17.263 1.00 35.52 H new ATOM 0 HG3 GLU A 79 6.157 14.763 -15.954 1.00 35.52 H new ATOM 1308 N ILE A 80 7.755 9.800 -16.581 1.00 3.22 N ATOM 1309 CA ILE A 80 8.503 8.720 -15.895 1.00 73.41 C ATOM 1310 C ILE A 80 8.073 7.339 -16.451 1.00 12.43 C ATOM 1311 O ILE A 80 6.896 7.128 -16.766 1.00 75.31 O ATOM 1312 CB ILE A 80 8.202 8.793 -14.347 1.00 44.04 C ATOM 1313 CG1 ILE A 80 8.531 10.226 -13.773 1.00 22.20 C ATOM 1314 CG2 ILE A 80 8.909 7.668 -13.543 1.00 53.44 C ATOM 1315 CD1 ILE A 80 9.951 10.447 -13.261 1.00 65.52 C ATOM 0 H ILE A 80 6.744 9.719 -16.470 1.00 3.22 H new ATOM 0 HA ILE A 80 9.571 8.848 -16.069 1.00 73.41 H new ATOM 0 HB ILE A 80 7.133 8.621 -14.223 1.00 44.04 H new ATOM 0 HG12 ILE A 80 8.332 10.960 -14.554 1.00 22.20 H new ATOM 0 HG13 ILE A 80 7.838 10.434 -12.957 1.00 22.20 H new ATOM 0 HG21 ILE A 80 8.666 7.769 -12.485 1.00 53.44 H new ATOM 0 HG22 ILE A 80 8.570 6.696 -13.902 1.00 53.44 H new ATOM 0 HG23 ILE A 80 9.988 7.748 -13.676 1.00 53.44 H new ATOM 0 HD11 ILE A 80 10.050 11.468 -12.894 1.00 65.52 H new ATOM 0 HD12 ILE A 80 10.158 9.748 -12.451 1.00 65.52 H new ATOM 0 HD13 ILE A 80 10.660 10.283 -14.072 1.00 65.52 H new ATOM 1327 N LYS A 81 9.041 6.402 -16.568 1.00 34.14 N ATOM 1328 CA LYS A 81 8.788 5.021 -17.053 1.00 14.13 C ATOM 1329 C LYS A 81 8.860 4.004 -15.899 1.00 44.51 C ATOM 1330 O LYS A 81 9.565 4.218 -14.903 1.00 21.22 O ATOM 1331 CB LYS A 81 9.784 4.651 -18.188 1.00 45.32 C ATOM 1332 CG LYS A 81 9.595 5.482 -19.485 1.00 12.32 C ATOM 1333 CD LYS A 81 8.146 5.385 -20.024 1.00 34.43 C ATOM 1334 CE LYS A 81 7.906 6.162 -21.327 1.00 32.43 C ATOM 1335 NZ LYS A 81 6.486 6.062 -21.759 1.00 12.13 N ATOM 0 H LYS A 81 10.017 6.578 -16.330 1.00 34.14 H new ATOM 0 HA LYS A 81 7.778 4.984 -17.460 1.00 14.13 H new ATOM 0 HB2 LYS A 81 10.802 4.790 -17.824 1.00 45.32 H new ATOM 0 HB3 LYS A 81 9.672 3.593 -18.426 1.00 45.32 H new ATOM 0 HG2 LYS A 81 9.840 6.525 -19.287 1.00 12.32 H new ATOM 0 HG3 LYS A 81 10.291 5.130 -20.247 1.00 12.32 H new ATOM 0 HD2 LYS A 81 7.901 4.336 -20.189 1.00 34.43 H new ATOM 0 HD3 LYS A 81 7.461 5.756 -19.262 1.00 34.43 H new ATOM 0 HE2 LYS A 81 8.172 7.209 -21.183 1.00 32.43 H new ATOM 0 HE3 LYS A 81 8.556 5.772 -22.111 1.00 32.43 H new ATOM 0 HZ1 LYS A 81 6.445 5.949 -22.792 1.00 12.13 H new ATOM 0 HZ2 LYS A 81 6.041 5.240 -21.303 1.00 12.13 H new ATOM 0 HZ3 LYS A 81 5.978 6.927 -21.485 1.00 12.13 H new ATOM 1349 N ILE A 82 8.118 2.888 -16.050 1.00 72.23 N ATOM 1350 CA ILE A 82 7.969 1.853 -15.004 1.00 24.33 C ATOM 1351 C ILE A 82 8.750 0.581 -15.372 1.00 62.14 C ATOM 1352 O ILE A 82 8.360 -0.172 -16.278 1.00 1.31 O ATOM 1353 CB ILE A 82 6.446 1.519 -14.772 1.00 54.03 C ATOM 1354 CG1 ILE A 82 5.682 2.785 -14.291 1.00 1.24 C ATOM 1355 CG2 ILE A 82 6.251 0.349 -13.771 1.00 31.51 C ATOM 1356 CD1 ILE A 82 4.194 2.587 -14.130 1.00 72.32 C ATOM 0 H ILE A 82 7.603 2.678 -16.905 1.00 72.23 H new ATOM 0 HA ILE A 82 8.384 2.247 -14.076 1.00 24.33 H new ATOM 0 HB ILE A 82 6.033 1.197 -15.728 1.00 54.03 H new ATOM 0 HG12 ILE A 82 6.100 3.107 -13.337 1.00 1.24 H new ATOM 0 HG13 ILE A 82 5.855 3.592 -15.003 1.00 1.24 H new ATOM 0 HG21 ILE A 82 5.186 0.154 -13.642 1.00 31.51 H new ATOM 0 HG22 ILE A 82 6.739 -0.546 -14.157 1.00 31.51 H new ATOM 0 HG23 ILE A 82 6.690 0.616 -12.810 1.00 31.51 H new ATOM 0 HD11 ILE A 82 3.738 3.517 -13.792 1.00 72.32 H new ATOM 0 HD12 ILE A 82 3.760 2.297 -15.087 1.00 72.32 H new ATOM 0 HD13 ILE A 82 4.009 1.804 -13.395 1.00 72.32 H new ATOM 1368 N THR A 83 9.859 0.366 -14.660 1.00 41.21 N ATOM 1369 CA THR A 83 10.665 -0.858 -14.769 1.00 72.12 C ATOM 1370 C THR A 83 10.023 -1.999 -13.936 1.00 53.24 C ATOM 1371 O THR A 83 9.387 -1.738 -12.912 1.00 70.21 O ATOM 1372 CB THR A 83 12.137 -0.587 -14.288 1.00 34.12 C ATOM 1373 OG1 THR A 83 12.710 0.476 -15.074 1.00 64.13 O ATOM 1374 CG2 THR A 83 13.047 -1.827 -14.388 1.00 52.34 C ATOM 0 H THR A 83 10.227 1.038 -13.987 1.00 41.21 H new ATOM 0 HA THR A 83 10.694 -1.166 -15.814 1.00 72.12 H new ATOM 0 HB THR A 83 12.078 -0.312 -13.235 1.00 34.12 H new ATOM 0 HG1 THR A 83 13.627 0.647 -14.774 1.00 64.13 H new ATOM 0 HG21 THR A 83 14.048 -1.572 -14.041 1.00 52.34 H new ATOM 0 HG22 THR A 83 12.641 -2.627 -13.769 1.00 52.34 H new ATOM 0 HG23 THR A 83 13.096 -2.160 -15.425 1.00 52.34 H new ATOM 1382 N SER A 84 10.188 -3.256 -14.388 1.00 55.22 N ATOM 1383 CA SER A 84 9.702 -4.460 -13.654 1.00 43.13 C ATOM 1384 C SER A 84 10.296 -4.546 -12.221 1.00 53.30 C ATOM 1385 O SER A 84 9.610 -4.922 -11.266 1.00 3.12 O ATOM 1386 CB SER A 84 10.055 -5.732 -14.459 1.00 61.53 C ATOM 1387 OG SER A 84 9.649 -6.922 -13.792 1.00 42.40 O ATOM 0 H SER A 84 10.658 -3.475 -15.266 1.00 55.22 H new ATOM 0 HA SER A 84 8.620 -4.378 -13.550 1.00 43.13 H new ATOM 0 HB2 SER A 84 9.577 -5.685 -15.437 1.00 61.53 H new ATOM 0 HB3 SER A 84 11.131 -5.764 -14.632 1.00 61.53 H new ATOM 0 HG SER A 84 9.890 -7.701 -14.336 1.00 42.40 H new ATOM 1393 N ASP A 85 11.576 -4.177 -12.088 1.00 42.35 N ATOM 1394 CA ASP A 85 12.278 -4.109 -10.783 1.00 22.32 C ATOM 1395 C ASP A 85 11.672 -3.020 -9.854 1.00 43.34 C ATOM 1396 O ASP A 85 11.710 -3.140 -8.625 1.00 63.13 O ATOM 1397 CB ASP A 85 13.774 -3.807 -11.010 1.00 22.31 C ATOM 1398 CG ASP A 85 14.491 -4.825 -11.921 1.00 50.32 C ATOM 1399 OD1 ASP A 85 14.126 -4.931 -13.119 1.00 24.13 O ATOM 1400 OD2 ASP A 85 15.429 -5.509 -11.458 1.00 11.13 O ATOM 0 H ASP A 85 12.163 -3.915 -12.880 1.00 42.35 H new ATOM 0 HA ASP A 85 12.157 -5.076 -10.295 1.00 22.32 H new ATOM 0 HB2 ASP A 85 13.871 -2.813 -11.447 1.00 22.31 H new ATOM 0 HB3 ASP A 85 14.279 -3.781 -10.044 1.00 22.31 H new ATOM 1405 N LEU A 86 11.141 -1.940 -10.456 1.00 73.21 N ATOM 1406 CA LEU A 86 10.472 -0.850 -9.707 1.00 32.14 C ATOM 1407 C LEU A 86 9.085 -1.304 -9.179 1.00 35.32 C ATOM 1408 O LEU A 86 8.645 -0.881 -8.106 1.00 14.14 O ATOM 1409 CB LEU A 86 10.312 0.409 -10.601 1.00 21.14 C ATOM 1410 CG LEU A 86 9.711 1.662 -9.884 1.00 52.50 C ATOM 1411 CD1 LEU A 86 10.741 2.328 -8.944 1.00 74.20 C ATOM 1412 CD2 LEU A 86 9.125 2.675 -10.901 1.00 14.20 C ATOM 0 H LEU A 86 11.161 -1.795 -11.465 1.00 73.21 H new ATOM 0 HA LEU A 86 11.101 -0.600 -8.853 1.00 32.14 H new ATOM 0 HB2 LEU A 86 11.289 0.675 -11.005 1.00 21.14 H new ATOM 0 HB3 LEU A 86 9.675 0.155 -11.448 1.00 21.14 H new ATOM 0 HG LEU A 86 8.885 1.315 -9.263 1.00 52.50 H new ATOM 0 HD11 LEU A 86 10.288 3.195 -8.463 1.00 74.20 H new ATOM 0 HD12 LEU A 86 11.054 1.614 -8.183 1.00 74.20 H new ATOM 0 HD13 LEU A 86 11.609 2.646 -9.522 1.00 74.20 H new ATOM 0 HD21 LEU A 86 8.716 3.532 -10.366 1.00 14.20 H new ATOM 0 HD22 LEU A 86 9.913 3.010 -11.576 1.00 14.20 H new ATOM 0 HD23 LEU A 86 8.333 2.196 -11.477 1.00 14.20 H new ATOM 1424 N ILE A 87 8.404 -2.154 -9.968 1.00 61.43 N ATOM 1425 CA ILE A 87 7.154 -2.839 -9.547 1.00 72.20 C ATOM 1426 C ILE A 87 7.425 -3.737 -8.305 1.00 43.21 C ATOM 1427 O ILE A 87 6.565 -3.889 -7.425 1.00 71.03 O ATOM 1428 CB ILE A 87 6.582 -3.704 -10.740 1.00 43.55 C ATOM 1429 CG1 ILE A 87 6.326 -2.809 -11.992 1.00 0.22 C ATOM 1430 CG2 ILE A 87 5.298 -4.474 -10.351 1.00 31.23 C ATOM 1431 CD1 ILE A 87 5.884 -3.558 -13.239 1.00 4.20 C ATOM 0 H ILE A 87 8.699 -2.390 -10.916 1.00 61.43 H new ATOM 0 HA ILE A 87 6.413 -2.087 -9.275 1.00 72.20 H new ATOM 0 HB ILE A 87 7.339 -4.450 -10.984 1.00 43.55 H new ATOM 0 HG12 ILE A 87 5.565 -2.070 -11.742 1.00 0.22 H new ATOM 0 HG13 ILE A 87 7.240 -2.261 -12.221 1.00 0.22 H new ATOM 0 HG21 ILE A 87 4.947 -5.052 -11.206 1.00 31.23 H new ATOM 0 HG22 ILE A 87 5.515 -5.148 -9.522 1.00 31.23 H new ATOM 0 HG23 ILE A 87 4.526 -3.766 -10.050 1.00 31.23 H new ATOM 0 HD11 ILE A 87 5.732 -2.850 -14.054 1.00 4.20 H new ATOM 0 HD12 ILE A 87 6.652 -4.278 -13.522 1.00 4.20 H new ATOM 0 HD13 ILE A 87 4.951 -4.084 -13.036 1.00 4.20 H new ATOM 1443 N ASP A 88 8.655 -4.296 -8.241 1.00 11.24 N ATOM 1444 CA ASP A 88 9.114 -5.115 -7.100 1.00 72.23 C ATOM 1445 C ASP A 88 9.318 -4.245 -5.832 1.00 30.40 C ATOM 1446 O ASP A 88 9.157 -4.728 -4.700 1.00 22.43 O ATOM 1447 CB ASP A 88 10.425 -5.846 -7.482 1.00 72.02 C ATOM 1448 CG ASP A 88 10.816 -6.963 -6.496 1.00 30.14 C ATOM 1449 OD1 ASP A 88 10.155 -8.027 -6.498 1.00 21.41 O ATOM 1450 OD2 ASP A 88 11.778 -6.785 -5.713 1.00 70.01 O ATOM 0 H ASP A 88 9.354 -4.192 -8.977 1.00 11.24 H new ATOM 0 HA ASP A 88 8.347 -5.854 -6.869 1.00 72.23 H new ATOM 0 HB2 ASP A 88 10.316 -6.274 -8.479 1.00 72.02 H new ATOM 0 HB3 ASP A 88 11.235 -5.119 -7.534 1.00 72.02 H new ATOM 1455 N LYS A 89 9.672 -2.950 -6.040 1.00 51.41 N ATOM 1456 CA LYS A 89 9.843 -1.977 -4.934 1.00 21.50 C ATOM 1457 C LYS A 89 8.482 -1.705 -4.239 1.00 31.41 C ATOM 1458 O LYS A 89 8.411 -1.547 -3.014 1.00 11.14 O ATOM 1459 CB LYS A 89 10.460 -0.646 -5.462 1.00 62.22 C ATOM 1460 CG LYS A 89 10.973 0.311 -4.355 1.00 42.41 C ATOM 1461 CD LYS A 89 11.491 1.670 -4.901 1.00 10.04 C ATOM 1462 CE LYS A 89 12.693 1.530 -5.853 1.00 24.40 C ATOM 1463 NZ LYS A 89 13.889 0.960 -5.180 1.00 51.33 N ATOM 0 H LYS A 89 9.844 -2.557 -6.965 1.00 51.41 H new ATOM 0 HA LYS A 89 10.528 -2.405 -4.202 1.00 21.50 H new ATOM 0 HB2 LYS A 89 11.288 -0.884 -6.130 1.00 62.22 H new ATOM 0 HB3 LYS A 89 9.710 -0.124 -6.057 1.00 62.22 H new ATOM 0 HG2 LYS A 89 10.167 0.497 -3.645 1.00 42.41 H new ATOM 0 HG3 LYS A 89 11.776 -0.180 -3.805 1.00 42.41 H new ATOM 0 HD2 LYS A 89 10.680 2.175 -5.425 1.00 10.04 H new ATOM 0 HD3 LYS A 89 11.774 2.306 -4.062 1.00 10.04 H new ATOM 0 HE2 LYS A 89 12.415 0.893 -6.693 1.00 24.40 H new ATOM 0 HE3 LYS A 89 12.943 2.508 -6.264 1.00 24.40 H new ATOM 0 HZ1 LYS A 89 14.680 0.918 -5.854 1.00 51.33 H new ATOM 0 HZ2 LYS A 89 14.153 1.561 -4.374 1.00 51.33 H new ATOM 0 HZ3 LYS A 89 13.672 0.001 -4.840 1.00 51.33 H new ATOM 1477 N VAL A 90 7.411 -1.677 -5.056 1.00 32.14 N ATOM 1478 CA VAL A 90 6.026 -1.459 -4.579 1.00 52.41 C ATOM 1479 C VAL A 90 5.509 -2.703 -3.799 1.00 4.12 C ATOM 1480 O VAL A 90 4.890 -2.566 -2.733 1.00 52.01 O ATOM 1481 CB VAL A 90 5.039 -1.135 -5.776 1.00 24.23 C ATOM 1482 CG1 VAL A 90 3.689 -0.582 -5.260 1.00 31.04 C ATOM 1483 CG2 VAL A 90 5.678 -0.164 -6.804 1.00 2.43 C ATOM 0 H VAL A 90 7.479 -1.805 -6.066 1.00 32.14 H new ATOM 0 HA VAL A 90 6.049 -0.598 -3.911 1.00 52.41 H new ATOM 0 HB VAL A 90 4.843 -2.076 -6.291 1.00 24.23 H new ATOM 0 HG11 VAL A 90 3.035 -0.370 -6.106 1.00 31.04 H new ATOM 0 HG12 VAL A 90 3.217 -1.321 -4.613 1.00 31.04 H new ATOM 0 HG13 VAL A 90 3.863 0.335 -4.697 1.00 31.04 H new ATOM 0 HG21 VAL A 90 4.969 0.032 -7.608 1.00 2.43 H new ATOM 0 HG22 VAL A 90 5.934 0.773 -6.309 1.00 2.43 H new ATOM 0 HG23 VAL A 90 6.580 -0.614 -7.218 1.00 2.43 H new ATOM 1493 N LYS A 91 5.792 -3.912 -4.350 1.00 2.12 N ATOM 1494 CA LYS A 91 5.366 -5.203 -3.743 1.00 1.10 C ATOM 1495 C LYS A 91 5.931 -5.410 -2.323 1.00 10.04 C ATOM 1496 O LYS A 91 5.171 -5.641 -1.377 1.00 53.13 O ATOM 1497 CB LYS A 91 5.795 -6.415 -4.631 1.00 63.21 C ATOM 1498 CG LYS A 91 4.964 -6.599 -5.913 1.00 41.24 C ATOM 1499 CD LYS A 91 5.275 -7.917 -6.660 1.00 61.12 C ATOM 1500 CE LYS A 91 6.724 -7.990 -7.174 1.00 60.44 C ATOM 1501 NZ LYS A 91 7.052 -9.316 -7.754 1.00 15.32 N ATOM 0 H LYS A 91 6.316 -4.021 -5.218 1.00 2.12 H new ATOM 0 HA LYS A 91 4.279 -5.153 -3.678 1.00 1.10 H new ATOM 0 HB2 LYS A 91 6.842 -6.293 -4.908 1.00 63.21 H new ATOM 0 HB3 LYS A 91 5.727 -7.326 -4.036 1.00 63.21 H new ATOM 0 HG2 LYS A 91 3.905 -6.576 -5.657 1.00 41.24 H new ATOM 0 HG3 LYS A 91 5.149 -5.758 -6.582 1.00 41.24 H new ATOM 0 HD2 LYS A 91 5.089 -8.759 -5.993 1.00 61.12 H new ATOM 0 HD3 LYS A 91 4.591 -8.021 -7.502 1.00 61.12 H new ATOM 0 HE2 LYS A 91 6.879 -7.218 -7.928 1.00 60.44 H new ATOM 0 HE3 LYS A 91 7.409 -7.776 -6.354 1.00 60.44 H new ATOM 0 HZ1 LYS A 91 7.913 -9.688 -7.304 1.00 15.32 H new ATOM 0 HZ2 LYS A 91 6.263 -9.972 -7.588 1.00 15.32 H new ATOM 0 HZ3 LYS A 91 7.211 -9.218 -8.777 1.00 15.32 H new ATOM 1515 N LYS A 92 7.263 -5.277 -2.180 1.00 63.41 N ATOM 1516 CA LYS A 92 7.963 -5.662 -0.940 1.00 43.40 C ATOM 1517 C LYS A 92 7.614 -4.732 0.244 1.00 22.34 C ATOM 1518 O LYS A 92 7.521 -5.186 1.391 1.00 22.00 O ATOM 1519 CB LYS A 92 9.489 -5.699 -1.162 1.00 11.43 C ATOM 1520 CG LYS A 92 10.274 -6.215 0.062 1.00 52.23 C ATOM 1521 CD LYS A 92 9.956 -7.698 0.388 1.00 31.34 C ATOM 1522 CE LYS A 92 10.422 -8.112 1.790 1.00 33.51 C ATOM 1523 NZ LYS A 92 11.887 -7.979 1.983 1.00 3.35 N ATOM 0 H LYS A 92 7.875 -4.906 -2.907 1.00 63.41 H new ATOM 0 HA LYS A 92 7.618 -6.663 -0.679 1.00 43.40 H new ATOM 0 HB2 LYS A 92 9.709 -6.335 -2.020 1.00 11.43 H new ATOM 0 HB3 LYS A 92 9.837 -4.696 -1.411 1.00 11.43 H new ATOM 0 HG2 LYS A 92 11.343 -6.108 -0.124 1.00 52.23 H new ATOM 0 HG3 LYS A 92 10.038 -5.597 0.928 1.00 52.23 H new ATOM 0 HD2 LYS A 92 8.882 -7.861 0.304 1.00 31.34 H new ATOM 0 HD3 LYS A 92 10.434 -8.339 -0.353 1.00 31.34 H new ATOM 0 HE2 LYS A 92 9.908 -7.501 2.532 1.00 33.51 H new ATOM 0 HE3 LYS A 92 10.131 -9.147 1.972 1.00 33.51 H new ATOM 0 HZ1 LYS A 92 12.138 -8.273 2.948 1.00 3.35 H new ATOM 0 HZ2 LYS A 92 12.384 -8.582 1.297 1.00 3.35 H new ATOM 0 HZ3 LYS A 92 12.167 -6.988 1.839 1.00 3.35 H new ATOM 1537 N LYS A 93 7.445 -3.433 -0.043 1.00 61.24 N ATOM 1538 CA LYS A 93 6.985 -2.448 0.963 1.00 74.33 C ATOM 1539 C LYS A 93 5.576 -2.813 1.504 1.00 54.33 C ATOM 1540 O LYS A 93 5.335 -2.717 2.705 1.00 44.33 O ATOM 1541 CB LYS A 93 7.002 -0.997 0.383 1.00 2.42 C ATOM 1542 CG LYS A 93 8.245 -0.109 0.732 1.00 41.32 C ATOM 1543 CD LYS A 93 9.484 -0.299 -0.182 1.00 44.42 C ATOM 1544 CE LYS A 93 10.275 -1.593 0.074 1.00 1.12 C ATOM 1545 NZ LYS A 93 11.518 -1.653 -0.734 1.00 2.05 N ATOM 0 H LYS A 93 7.619 -3.033 -0.965 1.00 61.24 H new ATOM 0 HA LYS A 93 7.683 -2.482 1.799 1.00 74.33 H new ATOM 0 HB2 LYS A 93 6.927 -1.065 -0.702 1.00 2.42 H new ATOM 0 HB3 LYS A 93 6.108 -0.481 0.733 1.00 2.42 H new ATOM 0 HG2 LYS A 93 7.944 0.938 0.692 1.00 41.32 H new ATOM 0 HG3 LYS A 93 8.540 -0.317 1.761 1.00 41.32 H new ATOM 0 HD2 LYS A 93 9.157 -0.288 -1.222 1.00 44.42 H new ATOM 0 HD3 LYS A 93 10.152 0.552 -0.049 1.00 44.42 H new ATOM 0 HE2 LYS A 93 10.527 -1.661 1.132 1.00 1.12 H new ATOM 0 HE3 LYS A 93 9.648 -2.454 -0.160 1.00 1.12 H new ATOM 0 HZ1 LYS A 93 12.021 -2.540 -0.532 1.00 2.05 H new ATOM 0 HZ2 LYS A 93 11.277 -1.614 -1.745 1.00 2.05 H new ATOM 0 HZ3 LYS A 93 12.128 -0.846 -0.492 1.00 2.05 H new ATOM 1559 N LEU A 94 4.671 -3.252 0.610 1.00 74.23 N ATOM 1560 CA LEU A 94 3.301 -3.673 0.995 1.00 74.01 C ATOM 1561 C LEU A 94 3.329 -4.967 1.862 1.00 72.34 C ATOM 1562 O LEU A 94 2.564 -5.113 2.827 1.00 4.23 O ATOM 1563 CB LEU A 94 2.438 -3.894 -0.268 1.00 50.01 C ATOM 1564 CG LEU A 94 0.921 -4.154 -0.014 1.00 54.21 C ATOM 1565 CD1 LEU A 94 0.225 -2.901 0.571 1.00 61.22 C ATOM 1566 CD2 LEU A 94 0.228 -4.640 -1.297 1.00 44.21 C ATOM 0 H LEU A 94 4.860 -3.326 -0.390 1.00 74.23 H new ATOM 0 HA LEU A 94 2.859 -2.877 1.595 1.00 74.01 H new ATOM 0 HB2 LEU A 94 2.535 -3.018 -0.910 1.00 50.01 H new ATOM 0 HB3 LEU A 94 2.845 -4.741 -0.820 1.00 50.01 H new ATOM 0 HG LEU A 94 0.835 -4.946 0.730 1.00 54.21 H new ATOM 0 HD11 LEU A 94 -0.831 -3.115 0.736 1.00 61.22 H new ATOM 0 HD12 LEU A 94 0.694 -2.633 1.518 1.00 61.22 H new ATOM 0 HD13 LEU A 94 0.321 -2.071 -0.129 1.00 61.22 H new ATOM 0 HD21 LEU A 94 -0.829 -4.815 -1.096 1.00 44.21 H new ATOM 0 HD22 LEU A 94 0.329 -3.883 -2.074 1.00 44.21 H new ATOM 0 HD23 LEU A 94 0.692 -5.568 -1.632 1.00 44.21 H new ATOM 1578 N ASP A 95 4.230 -5.891 1.493 1.00 35.43 N ATOM 1579 CA ASP A 95 4.531 -7.111 2.278 1.00 51.05 C ATOM 1580 C ASP A 95 5.096 -6.773 3.673 1.00 53.30 C ATOM 1581 O ASP A 95 4.831 -7.473 4.655 1.00 34.42 O ATOM 1582 CB ASP A 95 5.526 -7.999 1.488 1.00 75.03 C ATOM 1583 CG ASP A 95 4.837 -8.766 0.343 1.00 54.03 C ATOM 1584 OD1 ASP A 95 3.953 -9.604 0.634 1.00 62.35 O ATOM 1585 OD2 ASP A 95 5.163 -8.533 -0.842 1.00 74.53 O ATOM 0 H ASP A 95 4.777 -5.817 0.636 1.00 35.43 H new ATOM 0 HA ASP A 95 3.599 -7.655 2.434 1.00 51.05 H new ATOM 0 HB2 ASP A 95 6.321 -7.376 1.079 1.00 75.03 H new ATOM 0 HB3 ASP A 95 5.996 -8.709 2.168 1.00 75.03 H new ATOM 1590 N MET A 96 5.884 -5.694 3.728 1.00 71.42 N ATOM 1591 CA MET A 96 6.458 -5.153 4.971 1.00 43.10 C ATOM 1592 C MET A 96 5.368 -4.515 5.878 1.00 21.41 C ATOM 1593 O MET A 96 5.512 -4.523 7.093 1.00 73.51 O ATOM 1594 CB MET A 96 7.581 -4.138 4.611 1.00 4.43 C ATOM 1595 CG MET A 96 8.078 -3.269 5.774 1.00 64.24 C ATOM 1596 SD MET A 96 8.725 -4.260 7.142 1.00 2.33 S ATOM 1597 CE MET A 96 8.848 -3.041 8.450 1.00 71.55 C ATOM 0 H MET A 96 6.147 -5.162 2.899 1.00 71.42 H new ATOM 0 HA MET A 96 6.891 -5.969 5.549 1.00 43.10 H new ATOM 0 HB2 MET A 96 8.428 -4.689 4.203 1.00 4.43 H new ATOM 0 HB3 MET A 96 7.216 -3.483 3.820 1.00 4.43 H new ATOM 0 HG2 MET A 96 8.857 -2.596 5.415 1.00 64.24 H new ATOM 0 HG3 MET A 96 7.260 -2.646 6.135 1.00 64.24 H new ATOM 0 HE1 MET A 96 9.234 -3.514 9.353 1.00 71.55 H new ATOM 0 HE2 MET A 96 9.524 -2.243 8.141 1.00 71.55 H new ATOM 0 HE3 MET A 96 7.862 -2.623 8.652 1.00 71.55 H new ATOM 1607 N VAL A 97 4.279 -3.979 5.281 1.00 74.10 N ATOM 1608 CA VAL A 97 3.114 -3.450 6.059 1.00 74.14 C ATOM 1609 C VAL A 97 2.426 -4.596 6.856 1.00 73.41 C ATOM 1610 O VAL A 97 2.026 -4.426 8.015 1.00 41.20 O ATOM 1611 CB VAL A 97 2.053 -2.748 5.119 1.00 15.51 C ATOM 1612 CG1 VAL A 97 0.877 -2.141 5.926 1.00 44.41 C ATOM 1613 CG2 VAL A 97 2.713 -1.670 4.231 1.00 20.52 C ATOM 0 H VAL A 97 4.174 -3.897 4.270 1.00 74.10 H new ATOM 0 HA VAL A 97 3.501 -2.704 6.754 1.00 74.14 H new ATOM 0 HB VAL A 97 1.645 -3.523 4.470 1.00 15.51 H new ATOM 0 HG11 VAL A 97 0.172 -1.669 5.242 1.00 44.41 H new ATOM 0 HG12 VAL A 97 0.371 -2.931 6.481 1.00 44.41 H new ATOM 0 HG13 VAL A 97 1.260 -1.396 6.623 1.00 44.41 H new ATOM 0 HG21 VAL A 97 1.956 -1.207 3.597 1.00 20.52 H new ATOM 0 HG22 VAL A 97 3.172 -0.909 4.863 1.00 20.52 H new ATOM 0 HG23 VAL A 97 3.477 -2.132 3.605 1.00 20.52 H new ATOM 1623 N THR A 98 2.316 -5.766 6.199 1.00 12.32 N ATOM 1624 CA THR A 98 1.797 -7.006 6.818 1.00 14.00 C ATOM 1625 C THR A 98 2.756 -7.517 7.931 1.00 71.21 C ATOM 1626 O THR A 98 2.337 -7.786 9.064 1.00 63.34 O ATOM 1627 CB THR A 98 1.597 -8.116 5.729 1.00 35.43 C ATOM 1628 OG1 THR A 98 0.699 -7.637 4.711 1.00 24.23 O ATOM 1629 CG2 THR A 98 1.040 -9.433 6.313 1.00 62.45 C ATOM 0 H THR A 98 2.584 -5.881 5.222 1.00 12.32 H new ATOM 0 HA THR A 98 0.834 -6.778 7.274 1.00 14.00 H new ATOM 0 HB THR A 98 2.580 -8.332 5.310 1.00 35.43 H new ATOM 0 HG1 THR A 98 0.576 -8.331 4.030 1.00 24.23 H new ATOM 0 HG21 THR A 98 0.922 -10.164 5.513 1.00 62.45 H new ATOM 0 HG22 THR A 98 1.732 -9.821 7.061 1.00 62.45 H new ATOM 0 HG23 THR A 98 0.072 -9.244 6.778 1.00 62.45 H new ATOM 1637 N ARG A 99 4.056 -7.609 7.594 1.00 12.53 N ATOM 1638 CA ARG A 99 5.120 -8.080 8.519 1.00 72.42 C ATOM 1639 C ARG A 99 5.376 -7.105 9.691 1.00 24.43 C ATOM 1640 O ARG A 99 5.899 -7.509 10.729 1.00 74.12 O ATOM 1641 CB ARG A 99 6.423 -8.384 7.739 1.00 4.35 C ATOM 1642 CG ARG A 99 6.296 -9.601 6.801 1.00 72.51 C ATOM 1643 CD ARG A 99 7.585 -9.908 6.020 1.00 24.44 C ATOM 1644 NE ARG A 99 7.416 -11.078 5.137 1.00 75.54 N ATOM 1645 CZ ARG A 99 7.999 -11.253 3.969 1.00 33.50 C ATOM 1646 NH1 ARG A 99 8.786 -10.353 3.473 1.00 32.12 N ATOM 1647 NH2 ARG A 99 7.782 -12.335 3.303 1.00 23.11 N ATOM 0 H ARG A 99 4.406 -7.359 6.669 1.00 12.53 H new ATOM 0 HA ARG A 99 4.762 -9.005 8.972 1.00 72.42 H new ATOM 0 HB2 ARG A 99 6.701 -7.508 7.153 1.00 4.35 H new ATOM 0 HB3 ARG A 99 7.231 -8.562 8.449 1.00 4.35 H new ATOM 0 HG2 ARG A 99 6.019 -10.476 7.389 1.00 72.51 H new ATOM 0 HG3 ARG A 99 5.486 -9.423 6.094 1.00 72.51 H new ATOM 0 HD2 ARG A 99 7.867 -9.039 5.425 1.00 24.44 H new ATOM 0 HD3 ARG A 99 8.400 -10.093 6.719 1.00 24.44 H new ATOM 0 HE ARG A 99 6.792 -11.817 5.460 1.00 75.54 H new ATOM 0 HH11 ARG A 99 8.963 -9.491 3.988 1.00 32.12 H new ATOM 0 HH12 ARG A 99 9.229 -10.506 2.567 1.00 32.12 H new ATOM 0 HH21 ARG A 99 7.161 -13.051 3.681 1.00 23.11 H new ATOM 0 HH22 ARG A 99 8.231 -12.476 2.398 1.00 23.11 H new ATOM 1661 N GLU A 100 5.042 -5.822 9.494 1.00 65.24 N ATOM 1662 CA GLU A 100 5.103 -4.783 10.549 1.00 42.21 C ATOM 1663 C GLU A 100 4.202 -5.162 11.749 1.00 22.21 C ATOM 1664 O GLU A 100 4.627 -5.102 12.911 1.00 4.02 O ATOM 1665 CB GLU A 100 4.673 -3.419 9.945 1.00 40.20 C ATOM 1666 CG GLU A 100 4.607 -2.236 10.930 1.00 32.21 C ATOM 1667 CD GLU A 100 5.932 -1.913 11.631 1.00 61.23 C ATOM 1668 OE1 GLU A 100 6.938 -1.665 10.934 1.00 50.52 O ATOM 1669 OE2 GLU A 100 5.988 -1.921 12.878 1.00 3.03 O ATOM 0 H GLU A 100 4.719 -5.467 8.594 1.00 65.24 H new ATOM 0 HA GLU A 100 6.125 -4.706 10.919 1.00 42.21 H new ATOM 0 HB2 GLU A 100 5.368 -3.162 9.146 1.00 40.20 H new ATOM 0 HB3 GLU A 100 3.691 -3.540 9.487 1.00 40.20 H new ATOM 0 HG2 GLU A 100 4.271 -1.350 10.391 1.00 32.21 H new ATOM 0 HG3 GLU A 100 3.854 -2.453 11.688 1.00 32.21 H new