USER MOD reduce.3.24.130724 H: found=0, std=0, add=888, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 890 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 91 HIS :FLIP no HE2:sc= 0.289 F(o=0.22,f=1.6) USER MOD Set 1.2: A 94 THR OG1 : rot 180:sc= 0.0951 USER MOD Set 1.3: A 124 SER OG : rot -86:sc= -0.0235 USER MOD Set 1.4: A 128 THR OG1 : rot 109:sc= 1.2 USER MOD Set 2.1: A 72 SER OG : rot 84:sc= 1.65 USER MOD Set 2.2: A 103 CYS SG : rot 165:sc= -0.211 USER MOD Set 3.1: A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.2: A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 21 CYS SG : rot 92:sc= -0.179 USER MOD Single : A 25 MET CE :methyl 137:sc= -3.02! (180deg=-3.56!) USER MOD Single : A 28 THR OG1 : rot -33:sc= 0.538 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 SER OG : rot 170:sc= 0 USER MOD Single : A 35 ASN : amide:sc= 0 X(o=0,f=-0.033) USER MOD Single : A 43 THR OG1 : rot -3:sc= 0.896 USER MOD Single : A 44 ASN : amide:sc= 0 X(o=0,f=-0.11) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00428) USER MOD Single : A 50 MET CE :methyl -109:sc= -0.529 (180deg=-3.19!) USER MOD Single : A 53 HIS : no HE2:sc= 0.0746 K(o=0.075,f=-2.1) USER MOD Single : A 57 MET CE :methyl 167:sc= -3.1 (180deg=-3.76) USER MOD Single : A 58 ASN : amide:sc= -0.0677 K(o=-0.068,f=-1.8!) USER MOD Single : A 63 HIS : no HD1:sc= -0.288 X(o=-0.29,f=-0.069) USER MOD Single : A 64 LYS NZ :NH3+ 172:sc= 1.16 (180deg=1.11) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 TYR OH : rot -93:sc= 0.437 USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 89 THR OG1 : rot -59:sc= 0.701 USER MOD Single : A 96 ASN : amide:sc= -1.33 K(o=-1.3,f=-7.4!) USER MOD Single : A 101 GLN :FLIP amide:sc= -0.116 F(o=-1.8!,f=-0.12) USER MOD Single : A 105 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0145) USER MOD Single : A 107 ASN : amide:sc= -0.217 K(o=-0.22,f=-1.4) USER MOD Single : A 111 THR OG1 : rot -51:sc= 1.16 USER MOD Single : A 122 GLN : amide:sc=-0.00295 X(o=-0.003,f=0) USER MOD Single : A 129 TYR OH : rot 180:sc= 0 USER MOD Single : A 130 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 93 N LEU A 10 1.476 4.838 -3.402 1.00 0.00 N ATOM 94 CA LEU A 10 2.801 4.244 -3.267 1.00 0.00 C ATOM 95 C LEU A 10 3.612 4.426 -4.546 1.00 0.00 C ATOM 96 O LEU A 10 3.111 4.949 -5.541 1.00 0.00 O ATOM 97 CB LEU A 10 2.683 2.757 -2.931 1.00 0.00 C ATOM 98 CG LEU A 10 1.862 2.440 -1.678 1.00 0.00 C ATOM 99 CD1 LEU A 10 1.011 1.198 -1.896 1.00 0.00 C ATOM 100 CD2 LEU A 10 2.777 2.257 -0.476 1.00 0.00 C ATOM 0 HA LEU A 10 3.320 4.753 -2.455 1.00 0.00 H new ATOM 0 HB2 LEU A 10 2.234 2.242 -3.781 1.00 0.00 H new ATOM 0 HB3 LEU A 10 3.685 2.348 -2.803 1.00 0.00 H new ATOM 0 HG LEU A 10 1.196 3.280 -1.480 1.00 0.00 H new ATOM 0 HD11 LEU A 10 0.435 0.989 -0.995 1.00 0.00 H new ATOM 0 HD12 LEU A 10 0.331 1.365 -2.731 1.00 0.00 H new ATOM 0 HD13 LEU A 10 1.657 0.349 -2.119 1.00 0.00 H new ATOM 0 HD21 LEU A 10 2.178 2.032 0.406 1.00 0.00 H new ATOM 0 HD22 LEU A 10 3.467 1.434 -0.666 1.00 0.00 H new ATOM 0 HD23 LEU A 10 3.343 3.173 -0.307 1.00 0.00 H new ATOM 112 N ASP A 11 4.868 3.994 -4.510 1.00 0.00 N ATOM 113 CA ASP A 11 5.750 4.111 -5.666 1.00 0.00 C ATOM 114 C ASP A 11 5.731 2.833 -6.499 1.00 0.00 C ATOM 115 O ASP A 11 5.040 1.871 -6.162 1.00 0.00 O ATOM 116 CB ASP A 11 7.180 4.419 -5.215 1.00 0.00 C ATOM 117 CG ASP A 11 7.482 5.905 -5.227 1.00 0.00 C ATOM 118 OD1 ASP A 11 6.776 6.660 -4.527 1.00 0.00 O ATOM 119 OD2 ASP A 11 8.426 6.311 -5.936 1.00 0.00 O ATOM 0 H ASP A 11 5.298 3.560 -3.693 1.00 0.00 H new ATOM 0 HA ASP A 11 5.387 4.931 -6.285 1.00 0.00 H new ATOM 0 HB2 ASP A 11 7.333 4.028 -4.209 1.00 0.00 H new ATOM 0 HB3 ASP A 11 7.883 3.903 -5.868 1.00 0.00 H new ATOM 124 N ALA A 12 6.493 2.831 -7.588 1.00 0.00 N ATOM 125 CA ALA A 12 6.565 1.672 -8.470 1.00 0.00 C ATOM 126 C ALA A 12 7.153 0.466 -7.748 1.00 0.00 C ATOM 127 O ALA A 12 6.658 -0.654 -7.884 1.00 0.00 O ATOM 128 CB ALA A 12 7.389 2.002 -9.706 1.00 0.00 C ATOM 0 H ALA A 12 7.070 3.620 -7.881 1.00 0.00 H new ATOM 0 HA ALA A 12 5.551 1.418 -8.778 1.00 0.00 H new ATOM 0 HB1 ALA A 12 7.435 1.129 -10.356 1.00 0.00 H new ATOM 0 HB2 ALA A 12 6.925 2.830 -10.242 1.00 0.00 H new ATOM 0 HB3 ALA A 12 8.398 2.285 -9.406 1.00 0.00 H new ATOM 134 N ALA A 13 8.211 0.699 -6.979 1.00 0.00 N ATOM 135 CA ALA A 13 8.867 -0.371 -6.237 1.00 0.00 C ATOM 136 C ALA A 13 7.926 -0.980 -5.203 1.00 0.00 C ATOM 137 O ALA A 13 7.694 -2.188 -5.195 1.00 0.00 O ATOM 138 CB ALA A 13 10.127 0.150 -5.563 1.00 0.00 C ATOM 0 H ALA A 13 8.633 1.619 -6.853 1.00 0.00 H new ATOM 0 HA ALA A 13 9.143 -1.153 -6.944 1.00 0.00 H new ATOM 0 HB1 ALA A 13 10.607 -0.659 -5.013 1.00 0.00 H new ATOM 0 HB2 ALA A 13 10.813 0.531 -6.319 1.00 0.00 H new ATOM 0 HB3 ALA A 13 9.865 0.953 -4.873 1.00 0.00 H new ATOM 144 N ALA A 14 7.386 -0.134 -4.331 1.00 0.00 N ATOM 145 CA ALA A 14 6.470 -0.589 -3.292 1.00 0.00 C ATOM 146 C ALA A 14 5.203 -1.184 -3.898 1.00 0.00 C ATOM 147 O ALA A 14 4.759 -2.261 -3.499 1.00 0.00 O ATOM 148 CB ALA A 14 6.120 0.558 -2.356 1.00 0.00 C ATOM 0 H ALA A 14 7.567 0.870 -4.324 1.00 0.00 H new ATOM 0 HA ALA A 14 6.970 -1.371 -2.720 1.00 0.00 H new ATOM 0 HB1 ALA A 14 5.435 0.203 -1.586 1.00 0.00 H new ATOM 0 HB2 ALA A 14 7.029 0.936 -1.888 1.00 0.00 H new ATOM 0 HB3 ALA A 14 5.645 1.358 -2.923 1.00 0.00 H new ATOM 154 N ALA A 15 4.625 -0.477 -4.863 1.00 0.00 N ATOM 155 CA ALA A 15 3.409 -0.936 -5.523 1.00 0.00 C ATOM 156 C ALA A 15 3.619 -2.296 -6.179 1.00 0.00 C ATOM 157 O ALA A 15 2.692 -3.099 -6.279 1.00 0.00 O ATOM 158 CB ALA A 15 2.953 0.085 -6.555 1.00 0.00 C ATOM 0 H ALA A 15 4.979 0.416 -5.205 1.00 0.00 H new ATOM 0 HA ALA A 15 2.633 -1.044 -4.766 1.00 0.00 H new ATOM 0 HB1 ALA A 15 2.044 -0.270 -7.041 1.00 0.00 H new ATOM 0 HB2 ALA A 15 2.753 1.036 -6.062 1.00 0.00 H new ATOM 0 HB3 ALA A 15 3.735 0.221 -7.303 1.00 0.00 H new ATOM 164 N LEU A 16 4.846 -2.549 -6.624 1.00 0.00 N ATOM 165 CA LEU A 16 5.179 -3.814 -7.270 1.00 0.00 C ATOM 166 C LEU A 16 5.241 -4.946 -6.247 1.00 0.00 C ATOM 167 O LEU A 16 4.763 -6.051 -6.500 1.00 0.00 O ATOM 168 CB LEU A 16 6.516 -3.699 -8.005 1.00 0.00 C ATOM 169 CG LEU A 16 6.408 -3.365 -9.494 1.00 0.00 C ATOM 170 CD1 LEU A 16 7.692 -2.720 -9.991 1.00 0.00 C ATOM 171 CD2 LEU A 16 6.094 -4.618 -10.298 1.00 0.00 C ATOM 0 H LEU A 16 5.626 -1.895 -6.549 1.00 0.00 H new ATOM 0 HA LEU A 16 4.395 -4.043 -7.992 1.00 0.00 H new ATOM 0 HB2 LEU A 16 7.116 -2.930 -7.518 1.00 0.00 H new ATOM 0 HB3 LEU A 16 7.055 -4.640 -7.897 1.00 0.00 H new ATOM 0 HG LEU A 16 5.593 -2.654 -9.630 1.00 0.00 H new ATOM 0 HD11 LEU A 16 7.596 -2.490 -11.052 1.00 0.00 H new ATOM 0 HD12 LEU A 16 7.876 -1.801 -9.435 1.00 0.00 H new ATOM 0 HD13 LEU A 16 8.525 -3.407 -9.843 1.00 0.00 H new ATOM 0 HD21 LEU A 16 6.020 -4.363 -11.355 1.00 0.00 H new ATOM 0 HD22 LEU A 16 6.889 -5.350 -10.156 1.00 0.00 H new ATOM 0 HD23 LEU A 16 5.147 -5.040 -9.960 1.00 0.00 H new ATOM 183 N SER A 17 5.835 -4.660 -5.093 1.00 0.00 N ATOM 184 CA SER A 17 5.961 -5.653 -4.033 1.00 0.00 C ATOM 185 C SER A 17 4.588 -6.104 -3.544 1.00 0.00 C ATOM 186 O SER A 17 4.404 -7.258 -3.156 1.00 0.00 O ATOM 187 CB SER A 17 6.767 -5.083 -2.865 1.00 0.00 C ATOM 188 OG SER A 17 7.461 -6.108 -2.175 1.00 0.00 O ATOM 0 H SER A 17 6.236 -3.750 -4.868 1.00 0.00 H new ATOM 0 HA SER A 17 6.485 -6.518 -4.440 1.00 0.00 H new ATOM 0 HB2 SER A 17 7.478 -4.344 -3.236 1.00 0.00 H new ATOM 0 HB3 SER A 17 6.099 -4.565 -2.177 1.00 0.00 H new ATOM 0 HG SER A 17 7.970 -5.717 -1.434 1.00 0.00 H new ATOM 194 N VAL A 18 3.626 -5.187 -3.567 1.00 0.00 N ATOM 195 CA VAL A 18 2.270 -5.490 -3.127 1.00 0.00 C ATOM 196 C VAL A 18 1.588 -6.466 -4.080 1.00 0.00 C ATOM 197 O VAL A 18 0.830 -7.338 -3.654 1.00 0.00 O ATOM 198 CB VAL A 18 1.415 -4.214 -3.021 1.00 0.00 C ATOM 199 CG1 VAL A 18 0.070 -4.522 -2.380 1.00 0.00 C ATOM 200 CG2 VAL A 18 2.156 -3.139 -2.238 1.00 0.00 C ATOM 0 H VAL A 18 3.761 -4.228 -3.886 1.00 0.00 H new ATOM 0 HA VAL A 18 2.353 -5.946 -2.141 1.00 0.00 H new ATOM 0 HB VAL A 18 1.232 -3.837 -4.027 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -0.520 -3.608 -2.314 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -0.463 -5.254 -2.986 1.00 0.00 H new ATOM 0 HG13 VAL A 18 0.228 -4.925 -1.380 1.00 0.00 H new ATOM 0 HG21 VAL A 18 1.537 -2.244 -2.173 1.00 0.00 H new ATOM 0 HG22 VAL A 18 2.372 -3.504 -1.234 1.00 0.00 H new ATOM 0 HG23 VAL A 18 3.090 -2.898 -2.746 1.00 0.00 H new ATOM 210 N ALA A 19 1.861 -6.313 -5.372 1.00 0.00 N ATOM 211 CA ALA A 19 1.273 -7.182 -6.385 1.00 0.00 C ATOM 212 C ALA A 19 1.967 -8.538 -6.417 1.00 0.00 C ATOM 213 O ALA A 19 1.334 -9.565 -6.665 1.00 0.00 O ATOM 214 CB ALA A 19 1.343 -6.518 -7.753 1.00 0.00 C ATOM 0 H ALA A 19 2.485 -5.596 -5.742 1.00 0.00 H new ATOM 0 HA ALA A 19 0.227 -7.346 -6.125 1.00 0.00 H new ATOM 0 HB1 ALA A 19 0.901 -7.177 -8.500 1.00 0.00 H new ATOM 0 HB2 ALA A 19 0.794 -5.577 -7.729 1.00 0.00 H new ATOM 0 HB3 ALA A 19 2.384 -6.324 -8.011 1.00 0.00 H new ATOM 220 N GLU A 20 3.272 -8.536 -6.167 1.00 0.00 N ATOM 221 CA GLU A 20 4.053 -9.769 -6.168 1.00 0.00 C ATOM 222 C GLU A 20 3.763 -10.598 -4.920 1.00 0.00 C ATOM 223 O GLU A 20 3.821 -11.827 -4.953 1.00 0.00 O ATOM 224 CB GLU A 20 5.546 -9.451 -6.248 1.00 0.00 C ATOM 225 CG GLU A 20 5.946 -8.727 -7.524 1.00 0.00 C ATOM 226 CD GLU A 20 7.225 -9.273 -8.128 1.00 0.00 C ATOM 227 OE1 GLU A 20 8.069 -9.790 -7.366 1.00 0.00 O ATOM 228 OE2 GLU A 20 7.383 -9.183 -9.364 1.00 0.00 O ATOM 0 H GLU A 20 3.811 -7.695 -5.961 1.00 0.00 H new ATOM 0 HA GLU A 20 3.766 -10.351 -7.043 1.00 0.00 H new ATOM 0 HB2 GLU A 20 5.825 -8.839 -5.390 1.00 0.00 H new ATOM 0 HB3 GLU A 20 6.111 -10.380 -6.175 1.00 0.00 H new ATOM 0 HG2 GLU A 20 5.140 -8.811 -8.253 1.00 0.00 H new ATOM 0 HG3 GLU A 20 6.074 -7.666 -7.310 1.00 0.00 H new ATOM 235 N CYS A 21 3.452 -9.917 -3.821 1.00 0.00 N ATOM 236 CA CYS A 21 3.153 -10.592 -2.564 1.00 0.00 C ATOM 237 C CYS A 21 1.762 -11.215 -2.598 1.00 0.00 C ATOM 238 O CYS A 21 1.586 -12.385 -2.260 1.00 0.00 O ATOM 239 CB CYS A 21 3.256 -9.608 -1.397 1.00 0.00 C ATOM 240 SG CYS A 21 4.896 -9.533 -0.639 1.00 0.00 S ATOM 0 H CYS A 21 3.401 -8.899 -3.776 1.00 0.00 H new ATOM 0 HA CYS A 21 3.884 -11.389 -2.425 1.00 0.00 H new ATOM 0 HB2 CYS A 21 2.984 -8.613 -1.749 1.00 0.00 H new ATOM 0 HB3 CYS A 21 2.528 -9.886 -0.635 1.00 0.00 H new ATOM 0 HG CYS A 21 5.598 -8.602 -1.214 1.00 0.00 H new ATOM 246 N VAL A 22 0.775 -10.425 -3.009 1.00 0.00 N ATOM 247 CA VAL A 22 -0.601 -10.900 -3.090 1.00 0.00 C ATOM 248 C VAL A 22 -0.717 -12.089 -4.038 1.00 0.00 C ATOM 249 O VAL A 22 -1.408 -13.066 -3.745 1.00 0.00 O ATOM 250 CB VAL A 22 -1.554 -9.781 -3.558 1.00 0.00 C ATOM 251 CG1 VAL A 22 -1.184 -9.311 -4.957 1.00 0.00 C ATOM 252 CG2 VAL A 22 -3.000 -10.254 -3.510 1.00 0.00 C ATOM 0 H VAL A 22 0.903 -9.453 -3.291 1.00 0.00 H new ATOM 0 HA VAL A 22 -0.889 -11.213 -2.087 1.00 0.00 H new ATOM 0 HB VAL A 22 -1.451 -8.935 -2.878 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -1.868 -8.522 -5.268 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -0.164 -8.927 -4.954 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -1.254 -10.147 -5.652 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -3.657 -9.451 -3.844 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -3.122 -11.118 -4.164 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -3.258 -10.533 -2.488 1.00 0.00 H new ATOM 262 N GLU A 23 -0.036 -12.000 -5.176 1.00 0.00 N ATOM 263 CA GLU A 23 -0.060 -13.067 -6.169 1.00 0.00 C ATOM 264 C GLU A 23 0.688 -14.303 -5.672 1.00 0.00 C ATOM 265 O GLU A 23 0.535 -15.392 -6.223 1.00 0.00 O ATOM 266 CB GLU A 23 0.553 -12.581 -7.484 1.00 0.00 C ATOM 267 CG GLU A 23 -0.319 -11.585 -8.230 1.00 0.00 C ATOM 268 CD GLU A 23 -1.055 -12.214 -9.397 1.00 0.00 C ATOM 269 OE1 GLU A 23 -1.288 -13.441 -9.360 1.00 0.00 O ATOM 270 OE2 GLU A 23 -1.399 -11.480 -10.347 1.00 0.00 O ATOM 0 H GLU A 23 0.540 -11.198 -5.433 1.00 0.00 H new ATOM 0 HA GLU A 23 -1.101 -13.343 -6.338 1.00 0.00 H new ATOM 0 HB2 GLU A 23 1.519 -12.121 -7.277 1.00 0.00 H new ATOM 0 HB3 GLU A 23 0.740 -13.441 -8.127 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -1.043 -11.153 -7.539 1.00 0.00 H new ATOM 0 HG3 GLU A 23 0.301 -10.767 -8.595 1.00 0.00 H new ATOM 277 N ARG A 24 1.499 -14.130 -4.632 1.00 0.00 N ATOM 278 CA ARG A 24 2.266 -15.235 -4.069 1.00 0.00 C ATOM 279 C ARG A 24 1.439 -16.006 -3.044 1.00 0.00 C ATOM 280 O ARG A 24 1.460 -17.237 -3.015 1.00 0.00 O ATOM 281 CB ARG A 24 3.549 -14.714 -3.418 1.00 0.00 C ATOM 282 CG ARG A 24 4.722 -14.616 -4.380 1.00 0.00 C ATOM 283 CD ARG A 24 5.754 -15.701 -4.116 1.00 0.00 C ATOM 284 NE ARG A 24 6.917 -15.575 -4.989 1.00 0.00 N ATOM 285 CZ ARG A 24 6.942 -15.984 -6.256 1.00 0.00 C ATOM 286 NH1 ARG A 24 5.869 -16.546 -6.801 1.00 0.00 N ATOM 287 NH2 ARG A 24 8.042 -15.831 -6.980 1.00 0.00 N ATOM 0 H ARG A 24 1.641 -13.236 -4.163 1.00 0.00 H new ATOM 0 HA ARG A 24 2.528 -15.913 -4.881 1.00 0.00 H new ATOM 0 HB2 ARG A 24 3.356 -13.730 -2.991 1.00 0.00 H new ATOM 0 HB3 ARG A 24 3.821 -15.372 -2.592 1.00 0.00 H new ATOM 0 HG2 ARG A 24 4.361 -14.698 -5.405 1.00 0.00 H new ATOM 0 HG3 ARG A 24 5.191 -13.636 -4.285 1.00 0.00 H new ATOM 0 HD2 ARG A 24 6.075 -15.650 -3.076 1.00 0.00 H new ATOM 0 HD3 ARG A 24 5.296 -16.680 -4.261 1.00 0.00 H new ATOM 0 HE ARG A 24 7.761 -15.148 -4.606 1.00 0.00 H new ATOM 0 HH11 ARG A 24 5.020 -16.666 -6.249 1.00 0.00 H new ATOM 0 HH12 ARG A 24 5.894 -16.857 -7.772 1.00 0.00 H new ATOM 0 HH21 ARG A 24 8.869 -15.400 -6.566 1.00 0.00 H new ATOM 0 HH22 ARG A 24 8.061 -16.144 -7.951 1.00 0.00 H new ATOM 301 N MET A 25 0.711 -15.276 -2.206 1.00 0.00 N ATOM 302 CA MET A 25 -0.123 -15.892 -1.180 1.00 0.00 C ATOM 303 C MET A 25 -1.413 -16.443 -1.782 1.00 0.00 C ATOM 304 O MET A 25 -2.020 -17.363 -1.234 1.00 0.00 O ATOM 305 CB MET A 25 -0.451 -14.877 -0.084 1.00 0.00 C ATOM 306 CG MET A 25 -1.209 -13.660 -0.588 1.00 0.00 C ATOM 307 SD MET A 25 -2.179 -12.860 0.705 1.00 0.00 S ATOM 308 CE MET A 25 -1.219 -11.372 0.976 1.00 0.00 C ATOM 0 H MET A 25 0.681 -14.256 -2.217 1.00 0.00 H new ATOM 0 HA MET A 25 0.435 -16.721 -0.744 1.00 0.00 H new ATOM 0 HB2 MET A 25 -1.042 -15.368 0.689 1.00 0.00 H new ATOM 0 HB3 MET A 25 0.477 -14.548 0.384 1.00 0.00 H new ATOM 0 HG2 MET A 25 -0.501 -12.942 -1.002 1.00 0.00 H new ATOM 0 HG3 MET A 25 -1.871 -13.960 -1.400 1.00 0.00 H new ATOM 0 HE1 MET A 25 -1.890 -10.518 1.069 1.00 0.00 H new ATOM 0 HE2 MET A 25 -0.636 -11.477 1.891 1.00 0.00 H new ATOM 0 HE3 MET A 25 -0.546 -11.214 0.133 1.00 0.00 H new ATOM 318 N ALA A 26 -1.828 -15.875 -2.911 1.00 0.00 N ATOM 319 CA ALA A 26 -3.045 -16.310 -3.586 1.00 0.00 C ATOM 320 C ALA A 26 -3.016 -17.809 -3.887 1.00 0.00 C ATOM 321 O ALA A 26 -3.906 -18.548 -3.467 1.00 0.00 O ATOM 322 CB ALA A 26 -3.245 -15.516 -4.869 1.00 0.00 C ATOM 0 H ALA A 26 -1.338 -15.112 -3.377 1.00 0.00 H new ATOM 0 HA ALA A 26 -3.884 -16.124 -2.916 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -4.157 -15.849 -5.365 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -3.328 -14.455 -4.631 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -2.394 -15.674 -5.531 1.00 0.00 H new ATOM 328 N PRO A 27 -1.994 -18.280 -4.626 1.00 0.00 N ATOM 329 CA PRO A 27 -1.868 -19.698 -4.981 1.00 0.00 C ATOM 330 C PRO A 27 -1.636 -20.589 -3.765 1.00 0.00 C ATOM 331 O PRO A 27 -2.030 -21.756 -3.756 1.00 0.00 O ATOM 332 CB PRO A 27 -0.651 -19.733 -5.910 1.00 0.00 C ATOM 333 CG PRO A 27 0.124 -18.507 -5.578 1.00 0.00 C ATOM 334 CD PRO A 27 -0.889 -17.473 -5.176 1.00 0.00 C ATOM 0 HA PRO A 27 -2.781 -20.079 -5.440 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -0.056 -20.632 -5.747 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -0.954 -19.737 -6.957 1.00 0.00 H new ATOM 0 HG2 PRO A 27 0.829 -18.698 -4.769 1.00 0.00 H new ATOM 0 HG3 PRO A 27 0.707 -18.170 -6.435 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -0.487 -16.782 -4.435 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -1.213 -16.874 -6.027 1.00 0.00 H new ATOM 342 N THR A 28 -0.995 -20.038 -2.740 1.00 0.00 N ATOM 343 CA THR A 28 -0.715 -20.792 -1.522 1.00 0.00 C ATOM 344 C THR A 28 -1.956 -20.880 -0.640 1.00 0.00 C ATOM 345 O THR A 28 -2.134 -21.845 0.103 1.00 0.00 O ATOM 346 CB THR A 28 0.435 -20.147 -0.744 1.00 0.00 C ATOM 347 OG1 THR A 28 -0.005 -18.980 -0.072 1.00 0.00 O ATOM 348 CG2 THR A 28 1.608 -19.760 -1.618 1.00 0.00 C ATOM 0 H THR A 28 -0.660 -19.075 -2.727 1.00 0.00 H new ATOM 0 HA THR A 28 -0.423 -21.802 -1.811 1.00 0.00 H new ATOM 0 HB THR A 28 0.766 -20.908 -0.037 1.00 0.00 H new ATOM 0 HG1 THR A 28 -0.698 -18.538 -0.605 1.00 0.00 H new ATOM 0 HG21 THR A 28 2.387 -19.309 -1.003 1.00 0.00 H new ATOM 0 HG22 THR A 28 2.004 -20.648 -2.110 1.00 0.00 H new ATOM 0 HG23 THR A 28 1.280 -19.044 -2.371 1.00 0.00 H new ATOM 356 N LEU A 29 -2.812 -19.866 -0.727 1.00 0.00 N ATOM 357 CA LEU A 29 -4.037 -19.831 0.063 1.00 0.00 C ATOM 358 C LEU A 29 -5.163 -20.578 -0.647 1.00 0.00 C ATOM 359 O LEU A 29 -5.203 -20.633 -1.877 1.00 0.00 O ATOM 360 CB LEU A 29 -4.456 -18.383 0.327 1.00 0.00 C ATOM 361 CG LEU A 29 -3.587 -17.631 1.336 1.00 0.00 C ATOM 362 CD1 LEU A 29 -3.885 -16.140 1.289 1.00 0.00 C ATOM 363 CD2 LEU A 29 -3.808 -18.177 2.739 1.00 0.00 C ATOM 0 H LEU A 29 -2.679 -19.059 -1.336 1.00 0.00 H new ATOM 0 HA LEU A 29 -3.842 -20.325 1.015 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -4.443 -17.839 -0.617 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -5.486 -18.378 0.683 1.00 0.00 H new ATOM 0 HG LEU A 29 -2.541 -17.780 1.070 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -3.258 -15.621 2.013 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -3.677 -15.759 0.289 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -4.934 -15.971 1.531 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -3.182 -17.631 3.445 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -4.856 -18.057 3.015 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -3.545 -19.234 2.764 1.00 0.00 H new ATOM 375 N PRO A 30 -6.098 -21.165 0.121 1.00 0.00 N ATOM 376 CA PRO A 30 -7.228 -21.911 -0.442 1.00 0.00 C ATOM 377 C PRO A 30 -8.238 -21.000 -1.130 1.00 0.00 C ATOM 378 O PRO A 30 -8.121 -19.775 -1.077 1.00 0.00 O ATOM 379 CB PRO A 30 -7.858 -22.580 0.782 1.00 0.00 C ATOM 380 CG PRO A 30 -7.483 -21.703 1.926 1.00 0.00 C ATOM 381 CD PRO A 30 -6.125 -21.148 1.596 1.00 0.00 C ATOM 0 HA PRO A 30 -6.909 -22.614 -1.211 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -8.940 -22.655 0.679 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -7.479 -23.593 0.919 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -8.210 -20.902 2.058 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -7.458 -22.267 2.858 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -5.997 -20.139 1.989 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -5.328 -21.759 2.020 1.00 0.00 H new ATOM 389 N LYS A 31 -9.230 -21.605 -1.776 1.00 0.00 N ATOM 390 CA LYS A 31 -10.263 -20.847 -2.474 1.00 0.00 C ATOM 391 C LYS A 31 -11.390 -20.460 -1.524 1.00 0.00 C ATOM 392 O LYS A 31 -11.330 -20.740 -0.326 1.00 0.00 O ATOM 393 CB LYS A 31 -10.821 -21.662 -3.642 1.00 0.00 C ATOM 394 CG LYS A 31 -10.047 -21.477 -4.939 1.00 0.00 C ATOM 395 CD LYS A 31 -9.381 -22.770 -5.384 1.00 0.00 C ATOM 396 CE LYS A 31 -7.977 -22.521 -5.910 1.00 0.00 C ATOM 397 NZ LYS A 31 -7.975 -22.220 -7.369 1.00 0.00 N ATOM 0 H LYS A 31 -9.340 -22.618 -1.831 1.00 0.00 H new ATOM 0 HA LYS A 31 -9.810 -19.934 -2.861 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -10.815 -22.718 -3.373 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -11.861 -21.381 -3.806 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -10.723 -21.128 -5.720 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -9.290 -20.705 -4.804 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -9.339 -23.466 -4.546 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -9.983 -23.242 -6.160 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -7.528 -21.689 -5.367 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -7.357 -23.397 -5.719 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -6.999 -22.056 -7.688 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -8.380 -23.024 -7.890 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -8.545 -21.369 -7.549 1.00 0.00 H new ATOM 411 N SER A 32 -12.418 -19.815 -2.065 1.00 0.00 N ATOM 412 CA SER A 32 -13.561 -19.388 -1.265 1.00 0.00 C ATOM 413 C SER A 32 -14.873 -19.729 -1.964 1.00 0.00 C ATOM 414 O SER A 32 -14.882 -20.133 -3.127 1.00 0.00 O ATOM 415 CB SER A 32 -13.488 -17.885 -0.995 1.00 0.00 C ATOM 416 OG SER A 32 -13.915 -17.581 0.323 1.00 0.00 O ATOM 0 H SER A 32 -12.483 -19.576 -3.054 1.00 0.00 H new ATOM 0 HA SER A 32 -13.528 -19.922 -0.315 1.00 0.00 H new ATOM 0 HB2 SER A 32 -12.465 -17.536 -1.139 1.00 0.00 H new ATOM 0 HB3 SER A 32 -14.111 -17.353 -1.714 1.00 0.00 H new ATOM 0 HG SER A 32 -13.709 -16.645 0.526 1.00 0.00 H new ATOM 422 N ASP A 33 -15.980 -19.562 -1.247 1.00 0.00 N ATOM 423 CA ASP A 33 -17.298 -19.851 -1.799 1.00 0.00 C ATOM 424 C ASP A 33 -18.214 -18.637 -1.682 1.00 0.00 C ATOM 425 O ASP A 33 -18.324 -18.031 -0.616 1.00 0.00 O ATOM 426 CB ASP A 33 -17.924 -21.050 -1.080 1.00 0.00 C ATOM 427 CG ASP A 33 -17.687 -22.353 -1.817 1.00 0.00 C ATOM 428 OD1 ASP A 33 -18.523 -22.712 -2.673 1.00 0.00 O ATOM 429 OD2 ASP A 33 -16.666 -23.015 -1.539 1.00 0.00 O ATOM 0 H ASP A 33 -15.990 -19.228 -0.283 1.00 0.00 H new ATOM 0 HA ASP A 33 -17.178 -20.092 -2.855 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -17.510 -21.124 -0.074 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -18.996 -20.886 -0.972 1.00 0.00 H new ATOM 434 N LEU A 34 -18.870 -18.288 -2.784 1.00 0.00 N ATOM 435 CA LEU A 34 -19.776 -17.146 -2.805 1.00 0.00 C ATOM 436 C LEU A 34 -21.161 -17.537 -2.297 1.00 0.00 C ATOM 437 O LEU A 34 -21.887 -16.710 -1.744 1.00 0.00 O ATOM 438 CB LEU A 34 -19.881 -16.577 -4.222 1.00 0.00 C ATOM 439 CG LEU A 34 -18.576 -16.024 -4.796 1.00 0.00 C ATOM 440 CD1 LEU A 34 -17.883 -17.074 -5.653 1.00 0.00 C ATOM 441 CD2 LEU A 34 -18.839 -14.763 -5.605 1.00 0.00 C ATOM 0 H LEU A 34 -18.791 -18.780 -3.674 1.00 0.00 H new ATOM 0 HA LEU A 34 -19.370 -16.381 -2.143 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -20.249 -17.360 -4.885 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -20.627 -15.782 -4.223 1.00 0.00 H new ATOM 0 HG LEU A 34 -17.917 -15.767 -3.966 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -16.956 -16.663 -6.053 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -17.659 -17.950 -5.044 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -18.537 -17.362 -6.476 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -17.898 -14.385 -6.005 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -19.517 -14.993 -6.427 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -19.291 -14.007 -4.963 1.00 0.00 H new ATOM 453 N ASN A 35 -21.522 -18.802 -2.490 1.00 0.00 N ATOM 454 CA ASN A 35 -22.821 -19.303 -2.053 1.00 0.00 C ATOM 455 C ASN A 35 -23.008 -19.101 -0.552 1.00 0.00 C ATOM 456 O ASN A 35 -24.128 -18.916 -0.075 1.00 0.00 O ATOM 457 CB ASN A 35 -22.960 -20.786 -2.400 1.00 0.00 C ATOM 458 CG ASN A 35 -24.404 -21.197 -2.613 1.00 0.00 C ATOM 459 OD1 ASN A 35 -25.322 -20.598 -2.051 1.00 0.00 O ATOM 460 ND2 ASN A 35 -24.612 -22.225 -3.427 1.00 0.00 N ATOM 0 H ASN A 35 -20.933 -19.499 -2.946 1.00 0.00 H new ATOM 0 HA ASN A 35 -23.594 -18.739 -2.575 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -22.387 -21.000 -3.302 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -22.529 -21.386 -1.599 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -25.562 -22.548 -3.608 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -23.821 -22.692 -3.871 1.00 0.00 H new ATOM 467 N GLU A 36 -21.904 -19.138 0.189 1.00 0.00 N ATOM 468 CA GLU A 36 -21.948 -18.959 1.635 1.00 0.00 C ATOM 469 C GLU A 36 -22.317 -17.524 1.995 1.00 0.00 C ATOM 470 O GLU A 36 -23.170 -17.288 2.851 1.00 0.00 O ATOM 471 CB GLU A 36 -20.597 -19.321 2.255 1.00 0.00 C ATOM 472 CG GLU A 36 -20.713 -20.036 3.591 1.00 0.00 C ATOM 473 CD GLU A 36 -21.252 -21.446 3.454 1.00 0.00 C ATOM 474 OE1 GLU A 36 -20.448 -22.365 3.191 1.00 0.00 O ATOM 475 OE2 GLU A 36 -22.477 -21.632 3.608 1.00 0.00 O ATOM 0 H GLU A 36 -20.969 -19.290 -0.189 1.00 0.00 H new ATOM 0 HA GLU A 36 -22.714 -19.623 2.035 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -20.046 -19.954 1.560 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -20.013 -18.411 2.389 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -19.733 -20.071 4.066 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -21.367 -19.464 4.249 1.00 0.00 H new ATOM 482 N VAL A 37 -21.669 -16.568 1.337 1.00 0.00 N ATOM 483 CA VAL A 37 -21.929 -15.155 1.589 1.00 0.00 C ATOM 484 C VAL A 37 -23.245 -14.715 0.955 1.00 0.00 C ATOM 485 O VAL A 37 -23.900 -13.793 1.440 1.00 0.00 O ATOM 486 CB VAL A 37 -20.792 -14.269 1.049 1.00 0.00 C ATOM 487 CG1 VAL A 37 -19.494 -14.555 1.790 1.00 0.00 C ATOM 488 CG2 VAL A 37 -20.615 -14.477 -0.448 1.00 0.00 C ATOM 0 H VAL A 37 -20.960 -16.746 0.625 1.00 0.00 H new ATOM 0 HA VAL A 37 -21.992 -15.034 2.671 1.00 0.00 H new ATOM 0 HB VAL A 37 -21.059 -13.226 1.218 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -18.702 -13.919 1.395 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -19.628 -14.349 2.852 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -19.221 -15.602 1.655 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -19.807 -13.842 -0.811 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -20.372 -15.521 -0.644 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -21.540 -14.217 -0.963 1.00 0.00 H new ATOM 498 N LYS A 38 -23.626 -15.379 -0.132 1.00 0.00 N ATOM 499 CA LYS A 38 -24.864 -15.054 -0.832 1.00 0.00 C ATOM 500 C LYS A 38 -26.066 -15.158 0.103 1.00 0.00 C ATOM 501 O LYS A 38 -26.902 -14.256 0.158 1.00 0.00 O ATOM 502 CB LYS A 38 -25.056 -15.986 -2.031 1.00 0.00 C ATOM 503 CG LYS A 38 -24.378 -15.493 -3.300 1.00 0.00 C ATOM 504 CD LYS A 38 -25.346 -15.448 -4.472 1.00 0.00 C ATOM 505 CE LYS A 38 -26.394 -14.361 -4.289 1.00 0.00 C ATOM 506 NZ LYS A 38 -26.632 -13.601 -5.547 1.00 0.00 N ATOM 0 H LYS A 38 -23.095 -16.145 -0.547 1.00 0.00 H new ATOM 0 HA LYS A 38 -24.790 -14.025 -1.185 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -24.666 -16.972 -1.780 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -26.123 -16.104 -2.221 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -23.966 -14.498 -3.130 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -23.541 -16.148 -3.544 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -24.794 -15.270 -5.395 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -25.838 -16.415 -4.576 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -27.329 -14.811 -3.954 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -26.072 -13.675 -3.506 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -27.353 -12.870 -5.380 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -25.746 -13.150 -5.853 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -26.964 -14.251 -6.288 1.00 0.00 H new ATOM 520 N GLU A 39 -26.143 -16.262 0.837 1.00 0.00 N ATOM 521 CA GLU A 39 -27.242 -16.483 1.771 1.00 0.00 C ATOM 522 C GLU A 39 -27.255 -15.413 2.858 1.00 0.00 C ATOM 523 O GLU A 39 -28.313 -15.050 3.373 1.00 0.00 O ATOM 524 CB GLU A 39 -27.129 -17.870 2.406 1.00 0.00 C ATOM 525 CG GLU A 39 -27.432 -19.006 1.443 1.00 0.00 C ATOM 526 CD GLU A 39 -28.168 -20.153 2.108 1.00 0.00 C ATOM 527 OE1 GLU A 39 -27.509 -20.963 2.794 1.00 0.00 O ATOM 528 OE2 GLU A 39 -29.402 -20.242 1.941 1.00 0.00 O ATOM 0 H GLU A 39 -25.459 -17.018 0.804 1.00 0.00 H new ATOM 0 HA GLU A 39 -28.177 -16.422 1.214 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -26.121 -17.999 2.801 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -27.813 -17.930 3.252 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -28.031 -18.626 0.615 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -26.499 -19.376 1.018 1.00 0.00 H new ATOM 535 N LEU A 40 -26.074 -14.912 3.203 1.00 0.00 N ATOM 536 CA LEU A 40 -25.950 -13.883 4.229 1.00 0.00 C ATOM 537 C LEU A 40 -26.553 -12.565 3.754 1.00 0.00 C ATOM 538 O LEU A 40 -27.273 -11.898 4.496 1.00 0.00 O ATOM 539 CB LEU A 40 -24.478 -13.681 4.601 1.00 0.00 C ATOM 540 CG LEU A 40 -23.997 -14.495 5.803 1.00 0.00 C ATOM 541 CD1 LEU A 40 -22.486 -14.670 5.758 1.00 0.00 C ATOM 542 CD2 LEU A 40 -24.419 -13.826 7.102 1.00 0.00 C ATOM 0 H LEU A 40 -25.189 -15.202 2.787 1.00 0.00 H new ATOM 0 HA LEU A 40 -26.499 -14.215 5.110 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -23.863 -13.937 3.738 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -24.313 -12.624 4.808 1.00 0.00 H new ATOM 0 HG LEU A 40 -24.458 -15.482 5.759 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -22.161 -15.252 6.621 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -22.207 -15.192 4.843 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -22.006 -13.692 5.778 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -24.069 -14.419 7.947 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -23.985 -12.827 7.154 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -25.506 -13.752 7.137 1.00 0.00 H new ATOM 554 N LEU A 41 -26.255 -12.196 2.512 1.00 0.00 N ATOM 555 CA LEU A 41 -26.767 -10.958 1.939 1.00 0.00 C ATOM 556 C LEU A 41 -28.292 -10.969 1.896 1.00 0.00 C ATOM 557 O LEU A 41 -28.938 -9.952 2.151 1.00 0.00 O ATOM 558 CB LEU A 41 -26.206 -10.753 0.530 1.00 0.00 C ATOM 559 CG LEU A 41 -24.680 -10.751 0.435 1.00 0.00 C ATOM 560 CD1 LEU A 41 -24.236 -10.748 -1.020 1.00 0.00 C ATOM 561 CD2 LEU A 41 -24.103 -9.553 1.174 1.00 0.00 C ATOM 0 H LEU A 41 -25.661 -12.738 1.884 1.00 0.00 H new ATOM 0 HA LEU A 41 -26.445 -10.132 2.574 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -26.594 -11.540 -0.117 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -26.580 -9.806 0.141 1.00 0.00 H new ATOM 0 HG LEU A 41 -24.303 -11.659 0.906 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -23.147 -10.747 -1.068 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -24.620 -11.637 -1.519 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -24.622 -9.858 -1.516 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -23.016 -9.567 1.097 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -24.487 -8.633 0.732 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -24.392 -9.599 2.224 1.00 0.00 H new ATOM 573 N LYS A 42 -28.862 -12.124 1.571 1.00 0.00 N ATOM 574 CA LYS A 42 -30.312 -12.267 1.496 1.00 0.00 C ATOM 575 C LYS A 42 -30.960 -11.956 2.841 1.00 0.00 C ATOM 576 O LYS A 42 -32.093 -11.479 2.899 1.00 0.00 O ATOM 577 CB LYS A 42 -30.683 -13.684 1.052 1.00 0.00 C ATOM 578 CG LYS A 42 -30.888 -13.817 -0.448 1.00 0.00 C ATOM 579 CD LYS A 42 -29.645 -14.357 -1.137 1.00 0.00 C ATOM 580 CE LYS A 42 -28.839 -13.243 -1.784 1.00 0.00 C ATOM 581 NZ LYS A 42 -29.353 -12.902 -3.139 1.00 0.00 N ATOM 0 H LYS A 42 -28.343 -12.975 1.355 1.00 0.00 H new ATOM 0 HA LYS A 42 -30.685 -11.554 0.761 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -29.897 -14.371 1.365 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -31.596 -13.989 1.564 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -31.730 -14.481 -0.643 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -31.144 -12.845 -0.868 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -29.024 -14.882 -0.411 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -29.935 -15.085 -1.895 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -28.870 -12.357 -1.150 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -27.794 -13.546 -1.857 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -28.777 -12.138 -3.547 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -29.300 -13.741 -3.752 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -30.342 -12.589 -3.066 1.00 0.00 H new ATOM 595 N THR A 43 -30.235 -12.229 3.921 1.00 0.00 N ATOM 596 CA THR A 43 -30.740 -11.978 5.265 1.00 0.00 C ATOM 597 C THR A 43 -30.261 -10.626 5.783 1.00 0.00 C ATOM 598 O THR A 43 -30.971 -9.947 6.526 1.00 0.00 O ATOM 599 CB THR A 43 -30.292 -13.088 6.217 1.00 0.00 C ATOM 600 OG1 THR A 43 -28.881 -13.210 6.217 1.00 0.00 O ATOM 601 CG2 THR A 43 -30.870 -14.444 5.869 1.00 0.00 C ATOM 0 H THR A 43 -29.295 -12.624 3.891 1.00 0.00 H new ATOM 0 HA THR A 43 -31.829 -11.965 5.219 1.00 0.00 H new ATOM 0 HB THR A 43 -30.663 -12.793 7.199 1.00 0.00 H new ATOM 0 HG1 THR A 43 -28.499 -12.588 5.563 1.00 0.00 H new ATOM 0 HG21 THR A 43 -30.513 -15.186 6.583 1.00 0.00 H new ATOM 0 HG22 THR A 43 -31.958 -14.397 5.909 1.00 0.00 H new ATOM 0 HG23 THR A 43 -30.556 -14.727 4.864 1.00 0.00 H new ATOM 609 N ASN A 44 -29.053 -10.240 5.387 1.00 0.00 N ATOM 610 CA ASN A 44 -28.477 -8.970 5.811 1.00 0.00 C ATOM 611 C ASN A 44 -28.657 -7.904 4.734 1.00 0.00 C ATOM 612 O ASN A 44 -28.048 -7.977 3.667 1.00 0.00 O ATOM 613 CB ASN A 44 -26.992 -9.142 6.134 1.00 0.00 C ATOM 614 CG ASN A 44 -26.748 -9.409 7.606 1.00 0.00 C ATOM 615 OD1 ASN A 44 -27.184 -8.648 8.468 1.00 0.00 O ATOM 616 ND2 ASN A 44 -26.046 -10.498 7.900 1.00 0.00 N ATOM 0 H ASN A 44 -28.453 -10.790 4.772 1.00 0.00 H new ATOM 0 HA ASN A 44 -29.001 -8.644 6.710 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -26.588 -9.966 5.546 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -26.452 -8.243 5.836 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -25.849 -10.731 8.873 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -25.704 -11.101 7.152 1.00 0.00 H new ATOM 623 N LYS A 45 -29.497 -6.916 5.021 1.00 0.00 N ATOM 624 CA LYS A 45 -29.757 -5.835 4.078 1.00 0.00 C ATOM 625 C LYS A 45 -28.585 -4.862 4.029 1.00 0.00 C ATOM 626 O LYS A 45 -28.239 -4.343 2.968 1.00 0.00 O ATOM 627 CB LYS A 45 -31.037 -5.090 4.462 1.00 0.00 C ATOM 628 CG LYS A 45 -32.296 -5.694 3.859 1.00 0.00 C ATOM 629 CD LYS A 45 -32.734 -4.941 2.612 1.00 0.00 C ATOM 630 CE LYS A 45 -33.186 -5.892 1.516 1.00 0.00 C ATOM 631 NZ LYS A 45 -34.369 -5.369 0.779 1.00 0.00 N ATOM 0 H LYS A 45 -30.010 -6.841 5.900 1.00 0.00 H new ATOM 0 HA LYS A 45 -29.884 -6.274 3.088 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -31.132 -5.083 5.548 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -30.953 -4.051 4.142 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -32.116 -6.740 3.609 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -33.098 -5.676 4.597 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -33.548 -4.261 2.864 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -31.909 -4.329 2.247 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -32.366 -6.056 0.817 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -33.430 -6.860 1.953 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -34.645 -6.047 0.040 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -35.160 -5.237 1.441 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -34.129 -4.457 0.340 1.00 0.00 H new ATOM 645 N LYS A 46 -27.976 -4.618 5.185 1.00 0.00 N ATOM 646 CA LYS A 46 -26.842 -3.707 5.276 1.00 0.00 C ATOM 647 C LYS A 46 -25.692 -4.181 4.392 1.00 0.00 C ATOM 648 O LYS A 46 -25.112 -3.400 3.636 1.00 0.00 O ATOM 649 CB LYS A 46 -26.373 -3.586 6.728 1.00 0.00 C ATOM 650 CG LYS A 46 -26.670 -2.232 7.353 1.00 0.00 C ATOM 651 CD LYS A 46 -28.134 -2.106 7.741 1.00 0.00 C ATOM 652 CE LYS A 46 -28.372 -0.901 8.636 1.00 0.00 C ATOM 653 NZ LYS A 46 -29.470 -1.142 9.612 1.00 0.00 N ATOM 0 H LYS A 46 -28.250 -5.039 6.073 1.00 0.00 H new ATOM 0 HA LYS A 46 -27.165 -2.727 4.925 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -26.853 -4.364 7.322 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -25.299 -3.769 6.771 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -26.045 -2.093 8.235 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -26.410 -1.441 6.650 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -28.743 -2.018 6.842 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -28.454 -3.012 8.256 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -27.455 -0.661 9.174 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -28.617 -0.035 8.021 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -29.601 -0.297 10.203 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -30.352 -1.346 9.099 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -29.226 -1.953 10.216 1.00 0.00 H new ATOM 667 N LEU A 47 -25.367 -5.466 4.491 1.00 0.00 N ATOM 668 CA LEU A 47 -24.286 -6.044 3.700 1.00 0.00 C ATOM 669 C LEU A 47 -24.683 -6.149 2.231 1.00 0.00 C ATOM 670 O LEU A 47 -23.861 -5.938 1.340 1.00 0.00 O ATOM 671 CB LEU A 47 -23.917 -7.427 4.241 1.00 0.00 C ATOM 672 CG LEU A 47 -22.885 -7.425 5.371 1.00 0.00 C ATOM 673 CD1 LEU A 47 -22.831 -8.787 6.047 1.00 0.00 C ATOM 674 CD2 LEU A 47 -21.514 -7.037 4.838 1.00 0.00 C ATOM 0 H LEU A 47 -25.836 -6.127 5.111 1.00 0.00 H new ATOM 0 HA LEU A 47 -23.420 -5.387 3.777 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -24.824 -7.915 4.598 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -23.533 -8.031 3.419 1.00 0.00 H new ATOM 0 HG LEU A 47 -23.187 -6.686 6.113 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -22.092 -8.767 6.848 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -23.810 -9.026 6.463 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -22.553 -9.546 5.315 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -20.792 -7.040 5.654 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -21.204 -7.752 4.076 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -21.562 -6.040 4.401 1.00 0.00 H new ATOM 686 N ALA A 48 -25.947 -6.477 1.986 1.00 0.00 N ATOM 687 CA ALA A 48 -26.452 -6.610 0.625 1.00 0.00 C ATOM 688 C ALA A 48 -26.507 -5.257 -0.077 1.00 0.00 C ATOM 689 O ALA A 48 -26.402 -5.178 -1.302 1.00 0.00 O ATOM 690 CB ALA A 48 -27.828 -7.258 0.634 1.00 0.00 C ATOM 0 H ALA A 48 -26.640 -6.656 2.712 1.00 0.00 H new ATOM 0 HA ALA A 48 -25.765 -7.249 0.071 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -28.193 -7.351 -0.389 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -27.761 -8.247 1.087 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -28.517 -6.641 1.210 1.00 0.00 H new ATOM 696 N LYS A 49 -26.673 -4.195 0.703 1.00 0.00 N ATOM 697 CA LYS A 49 -26.742 -2.847 0.154 1.00 0.00 C ATOM 698 C LYS A 49 -25.362 -2.196 0.129 1.00 0.00 C ATOM 699 O LYS A 49 -25.085 -1.335 -0.707 1.00 0.00 O ATOM 700 CB LYS A 49 -27.709 -1.988 0.972 1.00 0.00 C ATOM 701 CG LYS A 49 -28.528 -1.024 0.128 1.00 0.00 C ATOM 702 CD LYS A 49 -30.019 -1.196 0.370 1.00 0.00 C ATOM 703 CE LYS A 49 -30.814 -0.035 -0.206 1.00 0.00 C ATOM 704 NZ LYS A 49 -30.707 0.031 -1.689 1.00 0.00 N ATOM 0 H LYS A 49 -26.762 -4.242 1.718 1.00 0.00 H new ATOM 0 HA LYS A 49 -27.108 -2.919 -0.870 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -28.386 -2.641 1.523 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -27.143 -1.421 1.710 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -28.237 0.001 0.359 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -28.309 -1.187 -0.927 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -30.357 -2.129 -0.081 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -30.209 -1.273 1.441 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -31.861 -0.136 0.078 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -30.456 0.900 0.226 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -31.290 0.815 -2.045 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -29.715 0.187 -1.959 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -31.041 -0.863 -2.101 1.00 0.00 H new ATOM 718 N MET A 50 -24.499 -2.611 1.052 1.00 0.00 N ATOM 719 CA MET A 50 -23.149 -2.067 1.135 1.00 0.00 C ATOM 720 C MET A 50 -22.250 -2.669 0.059 1.00 0.00 C ATOM 721 O MET A 50 -21.702 -1.950 -0.777 1.00 0.00 O ATOM 722 CB MET A 50 -22.554 -2.335 2.519 1.00 0.00 C ATOM 723 CG MET A 50 -21.226 -1.632 2.756 1.00 0.00 C ATOM 724 SD MET A 50 -20.873 -1.392 4.507 1.00 0.00 S ATOM 725 CE MET A 50 -19.489 -2.507 4.730 1.00 0.00 C ATOM 0 H MET A 50 -24.711 -3.322 1.752 1.00 0.00 H new ATOM 0 HA MET A 50 -23.208 -0.991 0.972 1.00 0.00 H new ATOM 0 HB2 MET A 50 -23.266 -2.015 3.280 1.00 0.00 H new ATOM 0 HB3 MET A 50 -22.415 -3.409 2.644 1.00 0.00 H new ATOM 0 HG2 MET A 50 -20.424 -2.216 2.304 1.00 0.00 H new ATOM 0 HG3 MET A 50 -21.237 -0.664 2.255 1.00 0.00 H new ATOM 0 HE1 MET A 50 -19.806 -3.367 5.321 1.00 0.00 H new ATOM 0 HE2 MET A 50 -19.135 -2.846 3.757 1.00 0.00 H new ATOM 0 HE3 MET A 50 -18.683 -1.988 5.249 1.00 0.00 H new ATOM 735 N ILE A 51 -22.102 -3.989 0.086 1.00 0.00 N ATOM 736 CA ILE A 51 -21.268 -4.685 -0.885 1.00 0.00 C ATOM 737 C ILE A 51 -21.974 -5.919 -1.438 1.00 0.00 C ATOM 738 O ILE A 51 -21.345 -6.948 -1.685 1.00 0.00 O ATOM 739 CB ILE A 51 -19.924 -5.111 -0.265 1.00 0.00 C ATOM 740 CG1 ILE A 51 -20.162 -5.956 0.988 1.00 0.00 C ATOM 741 CG2 ILE A 51 -19.081 -3.888 0.065 1.00 0.00 C ATOM 742 CD1 ILE A 51 -18.973 -6.807 1.377 1.00 0.00 C ATOM 0 H ILE A 51 -22.549 -4.598 0.771 1.00 0.00 H new ATOM 0 HA ILE A 51 -21.081 -3.985 -1.699 1.00 0.00 H new ATOM 0 HB ILE A 51 -19.381 -5.716 -0.991 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -20.414 -5.297 1.819 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -21.023 -6.603 0.822 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -18.135 -4.206 0.502 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -18.888 -3.322 -0.847 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -19.616 -3.258 0.776 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -19.213 -7.379 2.273 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -18.733 -7.491 0.563 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -18.115 -6.165 1.575 1.00 0.00 H new ATOM 754 N GLY A 52 -23.284 -5.809 -1.631 1.00 0.00 N ATOM 755 CA GLY A 52 -24.051 -6.925 -2.156 1.00 0.00 C ATOM 756 C GLY A 52 -24.155 -6.898 -3.668 1.00 0.00 C ATOM 757 O GLY A 52 -24.297 -7.942 -4.305 1.00 0.00 O ATOM 0 H GLY A 52 -23.828 -4.969 -1.434 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -23.586 -7.860 -1.844 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -25.052 -6.908 -1.726 1.00 0.00 H new ATOM 761 N HIS A 53 -24.085 -5.702 -4.243 1.00 0.00 N ATOM 762 CA HIS A 53 -24.173 -5.543 -5.690 1.00 0.00 C ATOM 763 C HIS A 53 -22.872 -5.963 -6.366 1.00 0.00 C ATOM 764 O HIS A 53 -22.872 -6.403 -7.516 1.00 0.00 O ATOM 765 CB HIS A 53 -24.500 -4.091 -6.046 1.00 0.00 C ATOM 766 CG HIS A 53 -23.463 -3.115 -5.588 1.00 0.00 C ATOM 767 ND1 HIS A 53 -23.381 -2.656 -4.289 1.00 0.00 N ATOM 768 CD2 HIS A 53 -22.456 -2.509 -6.262 1.00 0.00 C ATOM 769 CE1 HIS A 53 -22.371 -1.809 -4.186 1.00 0.00 C ATOM 770 NE2 HIS A 53 -21.794 -1.704 -5.368 1.00 0.00 N ATOM 0 H HIS A 53 -23.968 -4.829 -3.729 1.00 0.00 H new ATOM 0 HA HIS A 53 -24.973 -6.189 -6.052 1.00 0.00 H new ATOM 0 HB2 HIS A 53 -24.614 -4.007 -7.127 1.00 0.00 H new ATOM 0 HB3 HIS A 53 -25.459 -3.824 -5.603 1.00 0.00 H new ATOM 0 HD1 HIS A 53 -24.003 -2.928 -3.527 1.00 0.00 H new ATOM 0 HD2 HIS A 53 -22.218 -2.636 -7.308 1.00 0.00 H new ATOM 0 HE1 HIS A 53 -22.070 -1.291 -3.287 1.00 0.00 H new ATOM 779 N ILE A 54 -21.763 -5.825 -5.645 1.00 0.00 N ATOM 780 CA ILE A 54 -20.456 -6.191 -6.177 1.00 0.00 C ATOM 781 C ILE A 54 -20.348 -7.700 -6.377 1.00 0.00 C ATOM 782 O ILE A 54 -19.650 -8.168 -7.278 1.00 0.00 O ATOM 783 CB ILE A 54 -19.318 -5.723 -5.248 1.00 0.00 C ATOM 784 CG1 ILE A 54 -19.469 -4.235 -4.927 1.00 0.00 C ATOM 785 CG2 ILE A 54 -17.964 -5.997 -5.885 1.00 0.00 C ATOM 786 CD1 ILE A 54 -18.772 -3.818 -3.650 1.00 0.00 C ATOM 0 H ILE A 54 -21.744 -5.463 -4.692 1.00 0.00 H new ATOM 0 HA ILE A 54 -20.355 -5.691 -7.140 1.00 0.00 H new ATOM 0 HB ILE A 54 -19.379 -6.285 -4.316 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -19.071 -3.651 -5.756 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -20.529 -3.994 -4.848 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -17.172 -5.660 -5.216 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -17.856 -7.067 -6.065 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -17.892 -5.461 -6.831 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -18.921 -2.751 -3.486 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -19.187 -4.376 -2.810 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -17.705 -4.027 -3.733 1.00 0.00 H new ATOM 798 N PHE A 55 -21.040 -8.455 -5.532 1.00 0.00 N ATOM 799 CA PHE A 55 -21.022 -9.911 -5.618 1.00 0.00 C ATOM 800 C PHE A 55 -21.686 -10.389 -6.905 1.00 0.00 C ATOM 801 O PHE A 55 -21.219 -11.333 -7.542 1.00 0.00 O ATOM 802 CB PHE A 55 -21.728 -10.523 -4.406 1.00 0.00 C ATOM 803 CG PHE A 55 -20.880 -10.551 -3.168 1.00 0.00 C ATOM 804 CD1 PHE A 55 -19.798 -11.413 -3.073 1.00 0.00 C ATOM 805 CD2 PHE A 55 -21.163 -9.717 -2.098 1.00 0.00 C ATOM 806 CE1 PHE A 55 -19.015 -11.442 -1.935 1.00 0.00 C ATOM 807 CE2 PHE A 55 -20.384 -9.741 -0.957 1.00 0.00 C ATOM 808 CZ PHE A 55 -19.308 -10.605 -0.876 1.00 0.00 C ATOM 0 H PHE A 55 -21.620 -8.084 -4.780 1.00 0.00 H new ATOM 0 HA PHE A 55 -19.982 -10.237 -5.626 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -22.637 -9.957 -4.201 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -22.034 -11.540 -4.650 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -19.565 -12.069 -3.898 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -22.003 -9.040 -2.157 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -18.175 -12.118 -1.874 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -20.615 -9.086 -0.130 1.00 0.00 H new ATOM 0 HZ PHE A 55 -18.697 -10.626 0.014 1.00 0.00 H new ATOM 818 N GLU A 56 -22.778 -9.732 -7.280 1.00 0.00 N ATOM 819 CA GLU A 56 -23.507 -10.090 -8.491 1.00 0.00 C ATOM 820 C GLU A 56 -22.765 -9.611 -9.736 1.00 0.00 C ATOM 821 O GLU A 56 -22.872 -10.214 -10.804 1.00 0.00 O ATOM 822 CB GLU A 56 -24.914 -9.490 -8.461 1.00 0.00 C ATOM 823 CG GLU A 56 -25.804 -10.083 -7.381 1.00 0.00 C ATOM 824 CD GLU A 56 -27.256 -9.674 -7.532 1.00 0.00 C ATOM 825 OE1 GLU A 56 -27.814 -9.862 -8.634 1.00 0.00 O ATOM 826 OE2 GLU A 56 -27.835 -9.166 -6.549 1.00 0.00 O ATOM 0 H GLU A 56 -23.178 -8.949 -6.763 1.00 0.00 H new ATOM 0 HA GLU A 56 -23.583 -11.177 -8.530 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -24.838 -8.414 -8.307 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -25.385 -9.641 -9.432 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -25.732 -11.170 -7.412 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -25.441 -9.767 -6.403 1.00 0.00 H new ATOM 833 N MET A 57 -22.014 -8.524 -9.591 1.00 0.00 N ATOM 834 CA MET A 57 -21.254 -7.964 -10.704 1.00 0.00 C ATOM 835 C MET A 57 -20.284 -8.995 -11.276 1.00 0.00 C ATOM 836 O MET A 57 -19.887 -9.937 -10.589 1.00 0.00 O ATOM 837 CB MET A 57 -20.488 -6.721 -10.252 1.00 0.00 C ATOM 838 CG MET A 57 -20.064 -5.817 -11.399 1.00 0.00 C ATOM 839 SD MET A 57 -20.367 -4.072 -11.060 1.00 0.00 S ATOM 840 CE MET A 57 -18.702 -3.495 -10.743 1.00 0.00 C ATOM 0 H MET A 57 -21.915 -8.013 -8.714 1.00 0.00 H new ATOM 0 HA MET A 57 -21.959 -7.683 -11.487 1.00 0.00 H new ATOM 0 HB2 MET A 57 -21.111 -6.151 -9.562 1.00 0.00 H new ATOM 0 HB3 MET A 57 -19.602 -7.032 -9.699 1.00 0.00 H new ATOM 0 HG2 MET A 57 -19.003 -5.965 -11.599 1.00 0.00 H new ATOM 0 HG3 MET A 57 -20.602 -6.106 -12.302 1.00 0.00 H new ATOM 0 HE1 MET A 57 -18.688 -2.405 -10.746 1.00 0.00 H new ATOM 0 HE2 MET A 57 -18.369 -3.860 -9.771 1.00 0.00 H new ATOM 0 HE3 MET A 57 -18.034 -3.868 -11.519 1.00 0.00 H new ATOM 850 N ASN A 58 -19.906 -8.809 -12.536 1.00 0.00 N ATOM 851 CA ASN A 58 -18.983 -9.721 -13.199 1.00 0.00 C ATOM 852 C ASN A 58 -17.567 -9.554 -12.658 1.00 0.00 C ATOM 853 O ASN A 58 -17.328 -8.756 -11.751 1.00 0.00 O ATOM 854 CB ASN A 58 -18.993 -9.481 -14.711 1.00 0.00 C ATOM 855 CG ASN A 58 -20.283 -9.946 -15.361 1.00 0.00 C ATOM 856 OD1 ASN A 58 -21.367 -9.785 -14.801 1.00 0.00 O ATOM 857 ND2 ASN A 58 -20.170 -10.527 -16.549 1.00 0.00 N ATOM 0 H ASN A 58 -20.225 -8.035 -13.118 1.00 0.00 H new ATOM 0 HA ASN A 58 -19.313 -10.740 -12.996 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -18.852 -8.418 -14.909 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -18.151 -10.004 -15.165 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -21.003 -10.861 -17.035 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -19.251 -10.640 -16.976 1.00 0.00 H new ATOM 864 N ASP A 59 -16.631 -10.313 -13.218 1.00 0.00 N ATOM 865 CA ASP A 59 -15.238 -10.250 -12.792 1.00 0.00 C ATOM 866 C ASP A 59 -14.416 -9.380 -13.738 1.00 0.00 C ATOM 867 O ASP A 59 -13.424 -8.773 -13.333 1.00 0.00 O ATOM 868 CB ASP A 59 -14.639 -11.656 -12.726 1.00 0.00 C ATOM 869 CG ASP A 59 -13.662 -11.815 -11.578 1.00 0.00 C ATOM 870 OD1 ASP A 59 -13.775 -11.058 -10.592 1.00 0.00 O ATOM 871 OD2 ASP A 59 -12.781 -12.698 -11.666 1.00 0.00 O ATOM 0 H ASP A 59 -16.812 -10.979 -13.969 1.00 0.00 H new ATOM 0 HA ASP A 59 -15.209 -9.802 -11.799 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -15.442 -12.385 -12.620 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -14.131 -11.876 -13.665 1.00 0.00 H new ATOM 876 N ASP A 60 -14.835 -9.321 -14.998 1.00 0.00 N ATOM 877 CA ASP A 60 -14.136 -8.523 -15.999 1.00 0.00 C ATOM 878 C ASP A 60 -14.793 -7.156 -16.162 1.00 0.00 C ATOM 879 O ASP A 60 -14.913 -6.642 -17.274 1.00 0.00 O ATOM 880 CB ASP A 60 -14.116 -9.257 -17.341 1.00 0.00 C ATOM 881 CG ASP A 60 -12.915 -10.172 -17.482 1.00 0.00 C ATOM 882 OD1 ASP A 60 -11.818 -9.667 -17.802 1.00 0.00 O ATOM 883 OD2 ASP A 60 -13.071 -11.393 -17.272 1.00 0.00 O ATOM 0 H ASP A 60 -15.655 -9.816 -15.350 1.00 0.00 H new ATOM 0 HA ASP A 60 -13.111 -8.374 -15.659 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -15.029 -9.842 -17.445 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -14.111 -8.528 -18.151 1.00 0.00 H new ATOM 888 N ASP A 61 -15.215 -6.571 -15.046 1.00 0.00 N ATOM 889 CA ASP A 61 -15.859 -5.262 -15.064 1.00 0.00 C ATOM 890 C ASP A 61 -14.959 -4.205 -14.422 1.00 0.00 C ATOM 891 O ASP A 61 -14.787 -4.187 -13.203 1.00 0.00 O ATOM 892 CB ASP A 61 -17.201 -5.322 -14.331 1.00 0.00 C ATOM 893 CG ASP A 61 -18.381 -5.252 -15.280 1.00 0.00 C ATOM 894 OD1 ASP A 61 -18.802 -4.126 -15.621 1.00 0.00 O ATOM 895 OD2 ASP A 61 -18.886 -6.321 -15.681 1.00 0.00 O ATOM 0 H ASP A 61 -15.123 -6.983 -14.117 1.00 0.00 H new ATOM 0 HA ASP A 61 -16.033 -4.982 -16.103 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -17.256 -6.245 -13.754 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -17.261 -4.498 -13.620 1.00 0.00 H new ATOM 900 N PRO A 62 -14.369 -3.307 -15.233 1.00 0.00 N ATOM 901 CA PRO A 62 -13.487 -2.250 -14.728 1.00 0.00 C ATOM 902 C PRO A 62 -14.104 -1.486 -13.562 1.00 0.00 C ATOM 903 O PRO A 62 -13.399 -1.040 -12.656 1.00 0.00 O ATOM 904 CB PRO A 62 -13.311 -1.330 -15.937 1.00 0.00 C ATOM 905 CG PRO A 62 -13.501 -2.219 -17.117 1.00 0.00 C ATOM 906 CD PRO A 62 -14.516 -3.249 -16.701 1.00 0.00 C ATOM 0 HA PRO A 62 -12.551 -2.651 -14.339 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -14.041 -0.521 -15.929 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -12.324 -0.868 -15.943 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -13.851 -1.653 -17.980 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -12.562 -2.691 -17.405 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -15.525 -2.958 -16.992 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -14.318 -4.216 -17.162 1.00 0.00 H new ATOM 914 N HIS A 63 -15.425 -1.338 -13.589 1.00 0.00 N ATOM 915 CA HIS A 63 -16.137 -0.629 -12.533 1.00 0.00 C ATOM 916 C HIS A 63 -15.976 -1.345 -11.195 1.00 0.00 C ATOM 917 O HIS A 63 -15.978 -0.713 -10.138 1.00 0.00 O ATOM 918 CB HIS A 63 -17.621 -0.504 -12.883 1.00 0.00 C ATOM 919 CG HIS A 63 -17.869 -0.032 -14.282 1.00 0.00 C ATOM 920 ND1 HIS A 63 -17.941 1.302 -14.625 1.00 0.00 N ATOM 921 CD2 HIS A 63 -18.061 -0.724 -15.430 1.00 0.00 C ATOM 922 CE1 HIS A 63 -18.169 1.409 -15.921 1.00 0.00 C ATOM 923 NE2 HIS A 63 -18.245 0.195 -16.433 1.00 0.00 N ATOM 0 H HIS A 63 -16.024 -1.700 -14.331 1.00 0.00 H new ATOM 0 HA HIS A 63 -15.707 0.369 -12.446 1.00 0.00 H new ATOM 0 HB2 HIS A 63 -18.101 -1.473 -12.745 1.00 0.00 H new ATOM 0 HB3 HIS A 63 -18.093 0.188 -12.186 1.00 0.00 H new ATOM 0 HD2 HIS A 63 -18.068 -1.799 -15.537 1.00 0.00 H new ATOM 0 HE1 HIS A 63 -18.275 2.333 -16.469 1.00 0.00 H new ATOM 0 HE2 HIS A 63 -18.413 -0.025 -17.415 1.00 0.00 H new ATOM 932 N LYS A 64 -15.838 -2.665 -11.248 1.00 0.00 N ATOM 933 CA LYS A 64 -15.677 -3.466 -10.041 1.00 0.00 C ATOM 934 C LYS A 64 -14.427 -3.050 -9.274 1.00 0.00 C ATOM 935 O LYS A 64 -14.455 -2.905 -8.051 1.00 0.00 O ATOM 936 CB LYS A 64 -15.601 -4.953 -10.397 1.00 0.00 C ATOM 937 CG LYS A 64 -16.359 -5.849 -9.430 1.00 0.00 C ATOM 938 CD LYS A 64 -15.694 -7.210 -9.296 1.00 0.00 C ATOM 939 CE LYS A 64 -16.645 -8.237 -8.701 1.00 0.00 C ATOM 940 NZ LYS A 64 -16.445 -9.589 -9.294 1.00 0.00 N ATOM 0 H LYS A 64 -15.834 -3.203 -12.115 1.00 0.00 H new ATOM 0 HA LYS A 64 -16.545 -3.296 -9.404 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -15.998 -5.098 -11.402 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -14.555 -5.260 -10.420 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -16.411 -5.370 -8.452 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -17.384 -5.976 -9.777 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -15.356 -7.549 -10.275 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -14.809 -7.124 -8.666 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -16.496 -8.288 -7.622 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -17.674 -7.917 -8.866 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -17.013 -10.285 -8.771 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -16.742 -9.578 -10.291 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -15.440 -9.849 -9.235 1.00 0.00 H new ATOM 954 N GLU A 65 -13.329 -2.859 -9.999 1.00 0.00 N ATOM 955 CA GLU A 65 -12.068 -2.459 -9.387 1.00 0.00 C ATOM 956 C GLU A 65 -12.221 -1.139 -8.638 1.00 0.00 C ATOM 957 O GLU A 65 -11.597 -0.928 -7.598 1.00 0.00 O ATOM 958 CB GLU A 65 -10.977 -2.333 -10.455 1.00 0.00 C ATOM 959 CG GLU A 65 -9.701 -3.082 -10.110 1.00 0.00 C ATOM 960 CD GLU A 65 -8.698 -3.079 -11.248 1.00 0.00 C ATOM 961 OE1 GLU A 65 -8.144 -2.001 -11.548 1.00 0.00 O ATOM 962 OE2 GLU A 65 -8.468 -4.155 -11.839 1.00 0.00 O ATOM 0 H GLU A 65 -13.288 -2.975 -11.012 1.00 0.00 H new ATOM 0 HA GLU A 65 -11.779 -3.229 -8.671 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -11.363 -2.707 -11.403 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -10.742 -1.279 -10.600 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -9.246 -2.631 -9.228 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -9.947 -4.112 -9.850 1.00 0.00 H new ATOM 969 N GLU A 66 -13.058 -0.254 -9.172 1.00 0.00 N ATOM 970 CA GLU A 66 -13.295 1.045 -8.553 1.00 0.00 C ATOM 971 C GLU A 66 -14.141 0.899 -7.293 1.00 0.00 C ATOM 972 O GLU A 66 -14.005 1.676 -6.349 1.00 0.00 O ATOM 973 CB GLU A 66 -13.987 1.985 -9.542 1.00 0.00 C ATOM 974 CG GLU A 66 -13.020 2.809 -10.377 1.00 0.00 C ATOM 975 CD GLU A 66 -13.226 4.302 -10.207 1.00 0.00 C ATOM 976 OE1 GLU A 66 -14.282 4.808 -10.641 1.00 0.00 O ATOM 977 OE2 GLU A 66 -12.332 4.964 -9.640 1.00 0.00 O ATOM 0 H GLU A 66 -13.583 -0.413 -10.032 1.00 0.00 H new ATOM 0 HA GLU A 66 -12.331 1.470 -8.274 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -14.619 1.397 -10.208 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -14.644 2.659 -8.991 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -11.997 2.553 -10.099 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -13.140 2.547 -11.428 1.00 0.00 H new ATOM 984 N GLU A 67 -15.015 -0.101 -7.287 1.00 0.00 N ATOM 985 CA GLU A 67 -15.885 -0.349 -6.142 1.00 0.00 C ATOM 986 C GLU A 67 -15.109 -0.998 -4.999 1.00 0.00 C ATOM 987 O GLU A 67 -15.300 -0.653 -3.833 1.00 0.00 O ATOM 988 CB GLU A 67 -17.057 -1.244 -6.550 1.00 0.00 C ATOM 989 CG GLU A 67 -18.019 -0.580 -7.521 1.00 0.00 C ATOM 990 CD GLU A 67 -19.170 0.113 -6.818 1.00 0.00 C ATOM 991 OE1 GLU A 67 -19.010 0.474 -5.633 1.00 0.00 O ATOM 992 OE2 GLU A 67 -20.231 0.294 -7.453 1.00 0.00 O ATOM 0 H GLU A 67 -15.140 -0.753 -8.061 1.00 0.00 H new ATOM 0 HA GLU A 67 -16.271 0.610 -5.797 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -16.667 -2.155 -7.004 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -17.604 -1.542 -5.656 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -17.476 0.147 -8.125 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -18.415 -1.331 -8.205 1.00 0.00 H new ATOM 999 N ILE A 68 -14.233 -1.937 -5.343 1.00 0.00 N ATOM 1000 CA ILE A 68 -13.430 -2.632 -4.345 1.00 0.00 C ATOM 1001 C ILE A 68 -12.416 -1.690 -3.705 1.00 0.00 C ATOM 1002 O ILE A 68 -12.271 -1.654 -2.483 1.00 0.00 O ATOM 1003 CB ILE A 68 -12.685 -3.834 -4.959 1.00 0.00 C ATOM 1004 CG1 ILE A 68 -13.665 -4.744 -5.701 1.00 0.00 C ATOM 1005 CG2 ILE A 68 -11.948 -4.612 -3.878 1.00 0.00 C ATOM 1006 CD1 ILE A 68 -13.009 -5.604 -6.759 1.00 0.00 C ATOM 0 H ILE A 68 -14.062 -2.233 -6.304 1.00 0.00 H new ATOM 0 HA ILE A 68 -14.118 -2.995 -3.581 1.00 0.00 H new ATOM 0 HB ILE A 68 -11.952 -3.460 -5.673 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -14.167 -5.389 -4.980 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -14.435 -4.130 -6.169 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -11.428 -5.457 -4.329 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -11.225 -3.959 -3.389 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -12.663 -4.978 -3.141 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -13.764 -6.223 -7.244 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -12.531 -4.966 -7.502 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -12.259 -6.244 -6.294 1.00 0.00 H new ATOM 1018 N ARG A 69 -11.714 -0.927 -4.538 1.00 0.00 N ATOM 1019 CA ARG A 69 -10.713 0.015 -4.050 1.00 0.00 C ATOM 1020 C ARG A 69 -11.351 1.066 -3.148 1.00 0.00 C ATOM 1021 O ARG A 69 -10.722 1.560 -2.212 1.00 0.00 O ATOM 1022 CB ARG A 69 -10.003 0.695 -5.223 1.00 0.00 C ATOM 1023 CG ARG A 69 -10.917 1.573 -6.062 1.00 0.00 C ATOM 1024 CD ARG A 69 -10.180 2.171 -7.251 1.00 0.00 C ATOM 1025 NE ARG A 69 -9.645 1.141 -8.140 1.00 0.00 N ATOM 1026 CZ ARG A 69 -8.450 0.574 -7.990 1.00 0.00 C ATOM 1027 NH1 ARG A 69 -7.658 0.927 -6.985 1.00 0.00 N ATOM 1028 NH2 ARG A 69 -8.045 -0.352 -8.849 1.00 0.00 N ATOM 0 H ARG A 69 -11.820 -0.943 -5.552 1.00 0.00 H new ATOM 0 HA ARG A 69 -9.980 -0.543 -3.467 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -9.183 1.302 -4.838 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -9.561 -0.070 -5.862 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -11.764 0.985 -6.416 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -11.322 2.374 -5.443 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -10.858 2.816 -7.810 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -9.365 2.800 -6.893 1.00 0.00 H new ATOM 0 HE ARG A 69 -10.223 0.838 -8.924 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -7.964 1.638 -6.320 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -6.744 0.487 -6.877 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -8.649 -0.629 -9.623 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -7.130 -0.787 -8.736 1.00 0.00 H new ATOM 1042 N LYS A 70 -12.604 1.403 -3.435 1.00 0.00 N ATOM 1043 CA LYS A 70 -13.328 2.397 -2.649 1.00 0.00 C ATOM 1044 C LYS A 70 -13.656 1.856 -1.261 1.00 0.00 C ATOM 1045 O LYS A 70 -13.242 2.424 -0.250 1.00 0.00 O ATOM 1046 CB LYS A 70 -14.615 2.807 -3.366 1.00 0.00 C ATOM 1047 CG LYS A 70 -15.123 4.183 -2.964 1.00 0.00 C ATOM 1048 CD LYS A 70 -16.599 4.149 -2.601 1.00 0.00 C ATOM 1049 CE LYS A 70 -17.463 3.813 -3.805 1.00 0.00 C ATOM 1050 NZ LYS A 70 -17.710 5.006 -4.662 1.00 0.00 N ATOM 0 H LYS A 70 -13.139 1.003 -4.206 1.00 0.00 H new ATOM 0 HA LYS A 70 -12.689 3.273 -2.538 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -14.442 2.793 -4.442 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -15.389 2.068 -3.158 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -14.547 4.551 -2.115 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -14.965 4.884 -3.784 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -16.764 3.411 -1.816 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -16.897 5.116 -2.197 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -16.977 3.036 -4.395 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -18.416 3.406 -3.466 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -18.303 4.735 -5.472 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -18.197 5.738 -4.106 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -16.803 5.380 -5.007 1.00 0.00 H new ATOM 1064 N TYR A 71 -14.401 0.756 -1.220 1.00 0.00 N ATOM 1065 CA TYR A 71 -14.785 0.140 0.045 1.00 0.00 C ATOM 1066 C TYR A 71 -13.563 -0.400 0.779 1.00 0.00 C ATOM 1067 O TYR A 71 -13.509 -0.388 2.009 1.00 0.00 O ATOM 1068 CB TYR A 71 -15.789 -0.989 -0.199 1.00 0.00 C ATOM 1069 CG TYR A 71 -17.203 -0.502 -0.430 1.00 0.00 C ATOM 1070 CD1 TYR A 71 -17.997 -0.087 0.631 1.00 0.00 C ATOM 1071 CD2 TYR A 71 -17.741 -0.457 -1.709 1.00 0.00 C ATOM 1072 CE1 TYR A 71 -19.289 0.357 0.424 1.00 0.00 C ATOM 1073 CE2 TYR A 71 -19.032 -0.014 -1.926 1.00 0.00 C ATOM 1074 CZ TYR A 71 -19.802 0.392 -0.856 1.00 0.00 C ATOM 1075 OH TYR A 71 -21.088 0.834 -1.066 1.00 0.00 O ATOM 0 H TYR A 71 -14.751 0.273 -2.048 1.00 0.00 H new ATOM 0 HA TYR A 71 -15.252 0.904 0.667 1.00 0.00 H new ATOM 0 HB2 TYR A 71 -15.468 -1.569 -1.064 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -15.781 -1.663 0.658 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -17.598 -0.112 1.634 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -17.140 -0.774 -2.549 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -19.894 0.675 1.260 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -19.436 0.014 -2.927 1.00 0.00 H new ATOM 0 HH TYR A 71 -21.702 0.070 -1.057 1.00 0.00 H new ATOM 1085 N SER A 72 -12.581 -0.874 0.017 1.00 0.00 N ATOM 1086 CA SER A 72 -11.359 -1.418 0.596 1.00 0.00 C ATOM 1087 C SER A 72 -10.301 -0.329 0.752 1.00 0.00 C ATOM 1088 O SER A 72 -9.387 -0.217 -0.065 1.00 0.00 O ATOM 1089 CB SER A 72 -10.816 -2.551 -0.276 1.00 0.00 C ATOM 1090 OG SER A 72 -11.841 -3.471 -0.612 1.00 0.00 O ATOM 0 H SER A 72 -12.609 -0.892 -1.002 1.00 0.00 H new ATOM 0 HA SER A 72 -11.598 -1.813 1.583 1.00 0.00 H new ATOM 0 HB2 SER A 72 -10.381 -2.138 -1.186 1.00 0.00 H new ATOM 0 HB3 SER A 72 -10.016 -3.070 0.252 1.00 0.00 H new ATOM 0 HG SER A 72 -12.329 -3.145 -1.396 1.00 0.00 H new ATOM 1096 N ALA A 73 -10.433 0.470 1.806 1.00 0.00 N ATOM 1097 CA ALA A 73 -9.488 1.549 2.069 1.00 0.00 C ATOM 1098 C ALA A 73 -8.932 1.459 3.486 1.00 0.00 C ATOM 1099 O ALA A 73 -7.718 1.491 3.689 1.00 0.00 O ATOM 1100 CB ALA A 73 -10.156 2.898 1.847 1.00 0.00 C ATOM 0 H ALA A 73 -11.184 0.391 2.491 1.00 0.00 H new ATOM 0 HA ALA A 73 -8.655 1.448 1.374 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -9.440 3.696 2.047 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -10.500 2.968 0.815 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -11.007 2.998 2.520 1.00 0.00 H new ATOM 1106 N ILE A 74 -9.828 1.347 4.463 1.00 0.00 N ATOM 1107 CA ILE A 74 -9.430 1.251 5.863 1.00 0.00 C ATOM 1108 C ILE A 74 -8.856 2.573 6.363 1.00 0.00 C ATOM 1109 O ILE A 74 -9.442 3.229 7.223 1.00 0.00 O ATOM 1110 CB ILE A 74 -8.387 0.138 6.083 1.00 0.00 C ATOM 1111 CG1 ILE A 74 -8.833 -1.154 5.395 1.00 0.00 C ATOM 1112 CG2 ILE A 74 -8.168 -0.097 7.570 1.00 0.00 C ATOM 1113 CD1 ILE A 74 -7.719 -2.165 5.228 1.00 0.00 C ATOM 0 H ILE A 74 -10.836 1.321 4.310 1.00 0.00 H new ATOM 0 HA ILE A 74 -10.330 1.008 6.428 1.00 0.00 H new ATOM 0 HB ILE A 74 -7.442 0.455 5.642 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -9.639 -1.605 5.974 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -9.243 -0.911 4.414 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -7.429 -0.886 7.709 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -7.810 0.822 8.035 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -9.108 -0.395 8.034 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -8.107 -3.055 4.733 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -6.922 -1.732 4.623 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -7.324 -2.437 6.207 1.00 0.00 H new ATOM 1125 N TYR A 75 -7.706 2.956 5.818 1.00 0.00 N ATOM 1126 CA TYR A 75 -7.051 4.199 6.210 1.00 0.00 C ATOM 1127 C TYR A 75 -7.609 5.380 5.423 1.00 0.00 C ATOM 1128 O TYR A 75 -7.186 5.646 4.298 1.00 0.00 O ATOM 1129 CB TYR A 75 -5.541 4.092 5.990 1.00 0.00 C ATOM 1130 CG TYR A 75 -4.866 3.091 6.901 1.00 0.00 C ATOM 1131 CD1 TYR A 75 -4.530 3.427 8.207 1.00 0.00 C ATOM 1132 CD2 TYR A 75 -4.566 1.810 6.456 1.00 0.00 C ATOM 1133 CE1 TYR A 75 -3.914 2.515 9.042 1.00 0.00 C ATOM 1134 CE2 TYR A 75 -3.950 0.892 7.285 1.00 0.00 C ATOM 1135 CZ TYR A 75 -3.627 1.250 8.576 1.00 0.00 C ATOM 1136 OH TYR A 75 -3.013 0.339 9.405 1.00 0.00 O ATOM 0 H TYR A 75 -7.209 2.424 5.104 1.00 0.00 H new ATOM 0 HA TYR A 75 -7.247 4.367 7.269 1.00 0.00 H new ATOM 0 HB2 TYR A 75 -5.352 3.812 4.954 1.00 0.00 H new ATOM 0 HB3 TYR A 75 -5.090 5.072 6.143 1.00 0.00 H new ATOM 0 HD1 TYR A 75 -4.754 4.417 8.575 1.00 0.00 H new ATOM 0 HD2 TYR A 75 -4.818 1.527 5.445 1.00 0.00 H new ATOM 0 HE1 TYR A 75 -3.659 2.792 10.054 1.00 0.00 H new ATOM 0 HE2 TYR A 75 -3.723 -0.100 6.923 1.00 0.00 H new ATOM 0 HH TYR A 75 -2.882 -0.505 8.924 1.00 0.00 H new ATOM 1347 N LEU A 88 -0.960 9.813 6.636 1.00 0.00 N ATOM 1348 CA LEU A 88 -0.408 8.526 6.228 1.00 0.00 C ATOM 1349 C LEU A 88 1.116 8.573 6.201 1.00 0.00 C ATOM 1350 O LEU A 88 1.709 9.515 5.675 1.00 0.00 O ATOM 1351 CB LEU A 88 -0.943 8.131 4.850 1.00 0.00 C ATOM 1352 CG LEU A 88 -2.464 8.207 4.701 1.00 0.00 C ATOM 1353 CD1 LEU A 88 -2.867 8.034 3.246 1.00 0.00 C ATOM 1354 CD2 LEU A 88 -3.137 7.157 5.572 1.00 0.00 C ATOM 0 HA LEU A 88 -0.718 7.778 6.958 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -0.487 8.778 4.101 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -0.622 7.113 4.630 1.00 0.00 H new ATOM 0 HG LEU A 88 -2.794 9.191 5.033 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -3.952 8.091 3.160 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -2.413 8.823 2.647 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -2.525 7.063 2.887 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -4.218 7.225 5.454 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -2.801 6.165 5.271 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -2.875 7.328 6.616 1.00 0.00 H new ATOM 1366 N THR A 89 1.746 7.552 6.772 1.00 0.00 N ATOM 1367 CA THR A 89 3.202 7.478 6.815 1.00 0.00 C ATOM 1368 C THR A 89 3.714 6.309 5.977 1.00 0.00 C ATOM 1369 O THR A 89 4.471 5.469 6.462 1.00 0.00 O ATOM 1370 CB THR A 89 3.683 7.337 8.261 1.00 0.00 C ATOM 1371 OG1 THR A 89 5.097 7.258 8.313 1.00 0.00 O ATOM 1372 CG2 THR A 89 3.129 6.114 8.960 1.00 0.00 C ATOM 0 H THR A 89 1.271 6.764 7.212 1.00 0.00 H new ATOM 0 HA THR A 89 3.601 8.402 6.396 1.00 0.00 H new ATOM 0 HB THR A 89 3.317 8.226 8.775 1.00 0.00 H new ATOM 0 HG1 THR A 89 5.401 6.484 7.795 1.00 0.00 H new ATOM 0 HG21 THR A 89 3.510 6.075 9.981 1.00 0.00 H new ATOM 0 HG22 THR A 89 2.041 6.168 8.980 1.00 0.00 H new ATOM 0 HG23 THR A 89 3.437 5.217 8.423 1.00 0.00 H new ATOM 1380 N LEU A 90 3.298 6.265 4.714 1.00 0.00 N ATOM 1381 CA LEU A 90 3.713 5.203 3.802 1.00 0.00 C ATOM 1382 C LEU A 90 3.089 3.867 4.194 1.00 0.00 C ATOM 1383 O LEU A 90 2.286 3.304 3.450 1.00 0.00 O ATOM 1384 CB LEU A 90 5.239 5.079 3.784 1.00 0.00 C ATOM 1385 CG LEU A 90 5.809 4.281 2.609 1.00 0.00 C ATOM 1386 CD1 LEU A 90 6.124 5.202 1.441 1.00 0.00 C ATOM 1387 CD2 LEU A 90 7.053 3.517 3.039 1.00 0.00 C ATOM 0 H LEU A 90 2.672 6.955 4.298 1.00 0.00 H new ATOM 0 HA LEU A 90 3.365 5.466 2.803 1.00 0.00 H new ATOM 0 HB2 LEU A 90 5.670 6.080 3.767 1.00 0.00 H new ATOM 0 HB3 LEU A 90 5.561 4.609 4.713 1.00 0.00 H new ATOM 0 HG LEU A 90 5.058 3.561 2.284 1.00 0.00 H new ATOM 0 HD11 LEU A 90 6.528 4.617 0.615 1.00 0.00 H new ATOM 0 HD12 LEU A 90 5.212 5.704 1.118 1.00 0.00 H new ATOM 0 HD13 LEU A 90 6.858 5.946 1.752 1.00 0.00 H new ATOM 0 HD21 LEU A 90 7.446 2.955 2.192 1.00 0.00 H new ATOM 0 HD22 LEU A 90 7.809 4.220 3.390 1.00 0.00 H new ATOM 0 HD23 LEU A 90 6.797 2.828 3.844 1.00 0.00 H new ATOM 1399 N HIS A 91 3.463 3.364 5.367 1.00 0.00 N ATOM 1400 CA HIS A 91 2.943 2.091 5.860 1.00 0.00 C ATOM 1401 C HIS A 91 1.417 2.056 5.795 1.00 0.00 C ATOM 1402 O HIS A 91 0.817 0.988 5.672 1.00 0.00 O ATOM 1403 CB HIS A 91 3.406 1.853 7.298 1.00 0.00 C ATOM 1404 CG HIS A 91 3.352 0.416 7.715 1.00 0.00 C ATOM 1405 ND1 HIS A 91 4.064 -0.656 7.292 1.00 0.00 N flip ATOM 1406 CD2 HIS A 91 2.486 -0.057 8.678 1.00 0.00 C flip ATOM 1407 CE1 HIS A 91 3.619 -1.745 8.002 1.00 0.00 C flip ATOM 1408 NE2 HIS A 91 2.668 -1.357 8.831 1.00 0.00 N flip ATOM 0 H HIS A 91 4.125 3.819 5.995 1.00 0.00 H new ATOM 0 HA HIS A 91 3.332 1.299 5.220 1.00 0.00 H new ATOM 0 HB2 HIS A 91 4.428 2.216 7.407 1.00 0.00 H new ATOM 0 HB3 HIS A 91 2.785 2.442 7.973 1.00 0.00 H new ATOM 0 HD1 HIS A 91 4.794 -0.655 6.580 1.00 0.00 H new ATOM 0 HD2 HIS A 91 1.771 0.542 9.222 1.00 0.00 H new ATOM 0 HE1 HIS A 91 3.988 -2.755 7.899 1.00 0.00 H new ATOM 1417 N GLU A 92 0.796 3.227 5.878 1.00 0.00 N ATOM 1418 CA GLU A 92 -0.658 3.327 5.829 1.00 0.00 C ATOM 1419 C GLU A 92 -1.164 3.258 4.391 1.00 0.00 C ATOM 1420 O GLU A 92 -2.279 2.803 4.136 1.00 0.00 O ATOM 1421 CB GLU A 92 -1.123 4.630 6.483 1.00 0.00 C ATOM 1422 CG GLU A 92 -1.176 4.564 8.001 1.00 0.00 C ATOM 1423 CD GLU A 92 -1.281 5.934 8.640 1.00 0.00 C ATOM 1424 OE1 GLU A 92 -2.412 6.456 8.743 1.00 0.00 O ATOM 1425 OE2 GLU A 92 -0.235 6.486 9.038 1.00 0.00 O ATOM 0 H GLU A 92 1.277 4.121 5.980 1.00 0.00 H new ATOM 0 HA GLU A 92 -1.072 2.483 6.380 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -0.452 5.436 6.186 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -2.113 4.884 6.104 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -2.030 3.959 8.305 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -0.282 4.062 8.371 1.00 0.00 H new ATOM 1432 N LEU A 93 -0.339 3.716 3.455 1.00 0.00 N ATOM 1433 CA LEU A 93 -0.705 3.708 2.043 1.00 0.00 C ATOM 1434 C LEU A 93 -0.619 2.300 1.461 1.00 0.00 C ATOM 1435 O LEU A 93 -1.409 1.928 0.592 1.00 0.00 O ATOM 1436 CB LEU A 93 0.204 4.653 1.255 1.00 0.00 C ATOM 1437 CG LEU A 93 -0.127 6.140 1.397 1.00 0.00 C ATOM 1438 CD1 LEU A 93 0.992 6.993 0.822 1.00 0.00 C ATOM 1439 CD2 LEU A 93 -1.448 6.457 0.713 1.00 0.00 C ATOM 0 H LEU A 93 0.587 4.097 3.649 1.00 0.00 H new ATOM 0 HA LEU A 93 -1.736 4.051 1.961 1.00 0.00 H new ATOM 0 HB2 LEU A 93 1.233 4.494 1.576 1.00 0.00 H new ATOM 0 HB3 LEU A 93 0.154 4.385 0.200 1.00 0.00 H new ATOM 0 HG LEU A 93 -0.224 6.373 2.457 1.00 0.00 H new ATOM 0 HD11 LEU A 93 0.739 8.047 0.932 1.00 0.00 H new ATOM 0 HD12 LEU A 93 1.919 6.785 1.356 1.00 0.00 H new ATOM 0 HD13 LEU A 93 1.121 6.759 -0.235 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -1.669 7.519 0.823 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -1.378 6.209 -0.346 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -2.245 5.871 1.171 1.00 0.00 H new ATOM 1451 N THR A 94 0.345 1.522 1.942 1.00 0.00 N ATOM 1452 CA THR A 94 0.533 0.156 1.467 1.00 0.00 C ATOM 1453 C THR A 94 -0.690 -0.704 1.772 1.00 0.00 C ATOM 1454 O THR A 94 -1.195 -1.413 0.901 1.00 0.00 O ATOM 1455 CB THR A 94 1.777 -0.463 2.108 1.00 0.00 C ATOM 1456 OG1 THR A 94 2.664 0.547 2.557 1.00 0.00 O ATOM 1457 CG2 THR A 94 2.547 -1.365 1.168 1.00 0.00 C ATOM 0 H THR A 94 1.008 1.814 2.660 1.00 0.00 H new ATOM 0 HA THR A 94 0.667 0.192 0.386 1.00 0.00 H new ATOM 0 HB THR A 94 1.407 -1.062 2.940 1.00 0.00 H new ATOM 0 HG1 THR A 94 3.452 0.132 2.965 1.00 0.00 H new ATOM 0 HG21 THR A 94 3.417 -1.771 1.684 1.00 0.00 H new ATOM 0 HG22 THR A 94 1.905 -2.183 0.841 1.00 0.00 H new ATOM 0 HG23 THR A 94 2.875 -0.792 0.301 1.00 0.00 H new ATOM 1465 N VAL A 95 -1.162 -0.638 3.012 1.00 0.00 N ATOM 1466 CA VAL A 95 -2.325 -1.411 3.432 1.00 0.00 C ATOM 1467 C VAL A 95 -3.546 -1.083 2.578 1.00 0.00 C ATOM 1468 O VAL A 95 -4.424 -1.923 2.388 1.00 0.00 O ATOM 1469 CB VAL A 95 -2.665 -1.154 4.912 1.00 0.00 C ATOM 1470 CG1 VAL A 95 -3.749 -2.111 5.385 1.00 0.00 C ATOM 1471 CG2 VAL A 95 -1.419 -1.280 5.776 1.00 0.00 C ATOM 0 H VAL A 95 -0.756 -0.056 3.745 1.00 0.00 H new ATOM 0 HA VAL A 95 -2.067 -2.462 3.302 1.00 0.00 H new ATOM 0 HB VAL A 95 -3.044 -0.136 5.007 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -3.976 -1.914 6.433 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -4.648 -1.967 4.786 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -3.401 -3.138 5.276 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -1.679 -1.095 6.818 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -1.008 -2.285 5.677 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -0.676 -0.551 5.452 1.00 0.00 H new ATOM 1481 N ASN A 96 -3.593 0.143 2.067 1.00 0.00 N ATOM 1482 CA ASN A 96 -4.708 0.582 1.235 1.00 0.00 C ATOM 1483 C ASN A 96 -4.805 -0.255 -0.038 1.00 0.00 C ATOM 1484 O ASN A 96 -5.839 -0.861 -0.317 1.00 0.00 O ATOM 1485 CB ASN A 96 -4.551 2.061 0.876 1.00 0.00 C ATOM 1486 CG ASN A 96 -4.543 2.956 2.100 1.00 0.00 C ATOM 1487 OD1 ASN A 96 -4.757 2.494 3.221 1.00 0.00 O ATOM 1488 ND2 ASN A 96 -4.296 4.243 1.890 1.00 0.00 N ATOM 0 H ASN A 96 -2.873 0.850 2.214 1.00 0.00 H new ATOM 0 HA ASN A 96 -5.627 0.448 1.805 1.00 0.00 H new ATOM 0 HB2 ASN A 96 -3.623 2.201 0.321 1.00 0.00 H new ATOM 0 HB3 ASN A 96 -5.365 2.360 0.216 1.00 0.00 H new ATOM 0 HD21 ASN A 96 -4.278 4.894 2.675 1.00 0.00 H new ATOM 0 HD22 ASN A 96 -4.124 4.581 0.943 1.00 0.00 H new ATOM 1495 N GLU A 97 -3.721 -0.281 -0.807 1.00 0.00 N ATOM 1496 CA GLU A 97 -3.685 -1.041 -2.052 1.00 0.00 C ATOM 1497 C GLU A 97 -3.524 -2.534 -1.781 1.00 0.00 C ATOM 1498 O GLU A 97 -3.969 -3.369 -2.569 1.00 0.00 O ATOM 1499 CB GLU A 97 -2.544 -0.546 -2.942 1.00 0.00 C ATOM 1500 CG GLU A 97 -2.956 0.554 -3.906 1.00 0.00 C ATOM 1501 CD GLU A 97 -2.307 0.409 -5.269 1.00 0.00 C ATOM 1502 OE1 GLU A 97 -2.097 -0.741 -5.706 1.00 0.00 O ATOM 1503 OE2 GLU A 97 -2.008 1.446 -5.897 1.00 0.00 O ATOM 0 H GLU A 97 -2.856 0.215 -0.590 1.00 0.00 H new ATOM 0 HA GLU A 97 -4.633 -0.887 -2.567 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -1.735 -0.179 -2.310 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -2.148 -1.387 -3.511 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -4.040 0.544 -4.021 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -2.689 1.522 -3.482 1.00 0.00 H new ATOM 1510 N ALA A 98 -2.882 -2.864 -0.665 1.00 0.00 N ATOM 1511 CA ALA A 98 -2.659 -4.257 -0.294 1.00 0.00 C ATOM 1512 C ALA A 98 -3.975 -5.020 -0.193 1.00 0.00 C ATOM 1513 O ALA A 98 -4.123 -6.100 -0.767 1.00 0.00 O ATOM 1514 CB ALA A 98 -1.897 -4.336 1.020 1.00 0.00 C ATOM 0 H ALA A 98 -2.507 -2.186 -0.002 1.00 0.00 H new ATOM 0 HA ALA A 98 -2.062 -4.724 -1.077 1.00 0.00 H new ATOM 0 HB1 ALA A 98 -1.737 -5.381 1.286 1.00 0.00 H new ATOM 0 HB2 ALA A 98 -0.934 -3.837 0.913 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -2.473 -3.846 1.805 1.00 0.00 H new ATOM 1520 N ALA A 99 -4.929 -4.457 0.541 1.00 0.00 N ATOM 1521 CA ALA A 99 -6.232 -5.088 0.715 1.00 0.00 C ATOM 1522 C ALA A 99 -7.064 -4.996 -0.559 1.00 0.00 C ATOM 1523 O ALA A 99 -7.910 -5.850 -0.823 1.00 0.00 O ATOM 1524 CB ALA A 99 -6.976 -4.452 1.880 1.00 0.00 C ATOM 0 H ALA A 99 -4.824 -3.565 1.025 1.00 0.00 H new ATOM 0 HA ALA A 99 -6.069 -6.143 0.934 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -7.947 -4.933 1.998 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -6.396 -4.577 2.794 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -7.119 -3.389 1.684 1.00 0.00 H new ATOM 1530 N ALA A 100 -6.818 -3.954 -1.349 1.00 0.00 N ATOM 1531 CA ALA A 100 -7.545 -3.751 -2.596 1.00 0.00 C ATOM 1532 C ALA A 100 -7.375 -4.940 -3.534 1.00 0.00 C ATOM 1533 O ALA A 100 -8.352 -5.565 -3.945 1.00 0.00 O ATOM 1534 CB ALA A 100 -7.080 -2.471 -3.274 1.00 0.00 C ATOM 0 H ALA A 100 -6.120 -3.238 -1.146 1.00 0.00 H new ATOM 0 HA ALA A 100 -8.605 -3.661 -2.358 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -7.631 -2.331 -4.204 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -7.262 -1.623 -2.614 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -6.014 -2.541 -3.491 1.00 0.00 H new ATOM 1540 N GLN A 101 -6.126 -5.247 -3.871 1.00 0.00 N ATOM 1541 CA GLN A 101 -5.827 -6.362 -4.763 1.00 0.00 C ATOM 1542 C GLN A 101 -6.341 -7.677 -4.185 1.00 0.00 C ATOM 1543 O GLN A 101 -6.746 -8.574 -4.924 1.00 0.00 O ATOM 1544 CB GLN A 101 -4.319 -6.454 -5.009 1.00 0.00 C ATOM 1545 CG GLN A 101 -3.762 -5.292 -5.814 1.00 0.00 C ATOM 1546 CD GLN A 101 -2.513 -5.667 -6.588 1.00 0.00 C ATOM 1547 OE1 GLN A 101 -1.440 -4.911 -6.381 1.00 0.00 O flip ATOM 1548 NE2 GLN A 101 -2.511 -6.624 -7.361 1.00 0.00 N flip ATOM 0 H GLN A 101 -5.305 -4.740 -3.540 1.00 0.00 H new ATOM 0 HA GLN A 101 -6.334 -6.182 -5.711 1.00 0.00 H new ATOM 0 HB2 GLN A 101 -3.805 -6.500 -4.049 1.00 0.00 H new ATOM 0 HB3 GLN A 101 -4.101 -7.385 -5.532 1.00 0.00 H new ATOM 0 HG2 GLN A 101 -4.523 -4.938 -6.509 1.00 0.00 H new ATOM 0 HG3 GLN A 101 -3.534 -4.465 -5.142 1.00 0.00 H new ATOM 0 HE21 GLN A 101 -3.358 -7.178 -7.489 1.00 0.00 H new ATOM 0 HE22 GLN A 101 -1.662 -6.864 -7.873 1.00 0.00 H new ATOM 1557 N LEU A 102 -6.320 -7.784 -2.861 1.00 0.00 N ATOM 1558 CA LEU A 102 -6.782 -8.990 -2.184 1.00 0.00 C ATOM 1559 C LEU A 102 -8.282 -9.186 -2.383 1.00 0.00 C ATOM 1560 O LEU A 102 -8.738 -10.286 -2.699 1.00 0.00 O ATOM 1561 CB LEU A 102 -6.459 -8.918 -0.690 1.00 0.00 C ATOM 1562 CG LEU A 102 -5.033 -9.325 -0.317 1.00 0.00 C ATOM 1563 CD1 LEU A 102 -4.670 -8.796 1.061 1.00 0.00 C ATOM 1564 CD2 LEU A 102 -4.881 -10.838 -0.368 1.00 0.00 C ATOM 0 H LEU A 102 -5.988 -7.050 -2.235 1.00 0.00 H new ATOM 0 HA LEU A 102 -6.262 -9.843 -2.620 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -6.632 -7.899 -0.345 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -7.157 -9.559 -0.151 1.00 0.00 H new ATOM 0 HG LEU A 102 -4.348 -8.886 -1.043 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -3.652 -9.096 1.309 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -4.739 -7.708 1.063 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -5.359 -9.204 1.801 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -3.860 -11.110 -0.100 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -5.576 -11.297 0.335 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -5.098 -11.192 -1.376 1.00 0.00 H new ATOM 1576 N CYS A 103 -9.044 -8.113 -2.195 1.00 0.00 N ATOM 1577 CA CYS A 103 -10.493 -8.169 -2.353 1.00 0.00 C ATOM 1578 C CYS A 103 -10.872 -8.580 -3.772 1.00 0.00 C ATOM 1579 O CYS A 103 -11.860 -9.284 -3.982 1.00 0.00 O ATOM 1580 CB CYS A 103 -11.115 -6.811 -2.020 1.00 0.00 C ATOM 1581 SG CYS A 103 -11.427 -6.556 -0.257 1.00 0.00 S ATOM 0 H CYS A 103 -8.683 -7.196 -1.933 1.00 0.00 H new ATOM 0 HA CYS A 103 -10.880 -8.919 -1.663 1.00 0.00 H new ATOM 0 HB2 CYS A 103 -10.454 -6.022 -2.379 1.00 0.00 H new ATOM 0 HB3 CYS A 103 -12.055 -6.711 -2.563 1.00 0.00 H new ATOM 0 HG CYS A 103 -11.651 -5.295 -0.034 1.00 0.00 H new ATOM 1587 N VAL A 104 -10.080 -8.138 -4.743 1.00 0.00 N ATOM 1588 CA VAL A 104 -10.334 -8.460 -6.142 1.00 0.00 C ATOM 1589 C VAL A 104 -10.279 -9.966 -6.377 1.00 0.00 C ATOM 1590 O VAL A 104 -11.200 -10.548 -6.949 1.00 0.00 O ATOM 1591 CB VAL A 104 -9.318 -7.770 -7.072 1.00 0.00 C ATOM 1592 CG1 VAL A 104 -9.717 -7.953 -8.529 1.00 0.00 C ATOM 1593 CG2 VAL A 104 -9.194 -6.294 -6.725 1.00 0.00 C ATOM 0 H VAL A 104 -9.257 -7.556 -4.587 1.00 0.00 H new ATOM 0 HA VAL A 104 -11.334 -8.094 -6.374 1.00 0.00 H new ATOM 0 HB VAL A 104 -8.344 -8.236 -6.926 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -8.988 -7.459 -9.171 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -9.748 -9.016 -8.767 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -10.701 -7.515 -8.694 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -8.472 -5.823 -7.392 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -10.164 -5.810 -6.840 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -8.857 -6.190 -5.694 1.00 0.00 H new ATOM 1603 N LYS A 105 -9.193 -10.589 -5.933 1.00 0.00 N ATOM 1604 CA LYS A 105 -9.018 -12.028 -6.096 1.00 0.00 C ATOM 1605 C LYS A 105 -10.095 -12.798 -5.340 1.00 0.00 C ATOM 1606 O LYS A 105 -10.540 -13.858 -5.782 1.00 0.00 O ATOM 1607 CB LYS A 105 -7.632 -12.453 -5.604 1.00 0.00 C ATOM 1608 CG LYS A 105 -6.491 -11.746 -6.317 1.00 0.00 C ATOM 1609 CD LYS A 105 -6.302 -12.278 -7.729 1.00 0.00 C ATOM 1610 CE LYS A 105 -4.832 -12.326 -8.113 1.00 0.00 C ATOM 1611 NZ LYS A 105 -4.636 -12.831 -9.501 1.00 0.00 N ATOM 0 H LYS A 105 -8.421 -10.121 -5.458 1.00 0.00 H new ATOM 0 HA LYS A 105 -9.108 -12.261 -7.157 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -7.559 -12.256 -4.534 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -7.522 -13.529 -5.738 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -6.692 -10.675 -6.354 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -5.569 -11.878 -5.751 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -6.732 -13.277 -7.803 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -6.843 -11.645 -8.433 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -4.401 -11.329 -8.026 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -4.295 -12.967 -7.414 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -3.623 -12.993 -9.672 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -5.155 -13.724 -9.622 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -4.993 -12.129 -10.180 1.00 0.00 H new ATOM 1625 N ASP A 106 -10.512 -12.258 -4.200 1.00 0.00 N ATOM 1626 CA ASP A 106 -11.540 -12.895 -3.384 1.00 0.00 C ATOM 1627 C ASP A 106 -12.624 -11.896 -2.994 1.00 0.00 C ATOM 1628 O ASP A 106 -12.378 -10.967 -2.223 1.00 0.00 O ATOM 1629 CB ASP A 106 -10.915 -13.505 -2.127 1.00 0.00 C ATOM 1630 CG ASP A 106 -10.027 -14.693 -2.441 1.00 0.00 C ATOM 1631 OD1 ASP A 106 -10.567 -15.799 -2.654 1.00 0.00 O ATOM 1632 OD2 ASP A 106 -8.791 -14.517 -2.475 1.00 0.00 O ATOM 0 H ASP A 106 -10.155 -11.382 -3.820 1.00 0.00 H new ATOM 0 HA ASP A 106 -11.999 -13.687 -3.975 1.00 0.00 H new ATOM 0 HB2 ASP A 106 -10.330 -12.744 -1.610 1.00 0.00 H new ATOM 0 HB3 ASP A 106 -11.707 -13.817 -1.446 1.00 0.00 H new ATOM 1637 N ASN A 107 -13.824 -12.092 -3.529 1.00 0.00 N ATOM 1638 CA ASN A 107 -14.946 -11.208 -3.236 1.00 0.00 C ATOM 1639 C ASN A 107 -15.373 -11.336 -1.777 1.00 0.00 C ATOM 1640 O ASN A 107 -15.873 -10.382 -1.181 1.00 0.00 O ATOM 1641 CB ASN A 107 -16.126 -11.525 -4.156 1.00 0.00 C ATOM 1642 CG ASN A 107 -16.222 -10.566 -5.327 1.00 0.00 C ATOM 1643 OD1 ASN A 107 -17.311 -10.133 -5.702 1.00 0.00 O ATOM 1644 ND2 ASN A 107 -15.078 -10.228 -5.910 1.00 0.00 N ATOM 0 H ASN A 107 -14.045 -12.856 -4.168 1.00 0.00 H new ATOM 0 HA ASN A 107 -14.624 -10.182 -3.412 1.00 0.00 H new ATOM 0 HB2 ASN A 107 -16.027 -12.543 -4.532 1.00 0.00 H new ATOM 0 HB3 ASN A 107 -17.051 -11.486 -3.581 1.00 0.00 H new ATOM 0 HD21 ASN A 107 -15.080 -9.585 -6.702 1.00 0.00 H new ATOM 0 HD22 ASN A 107 -14.198 -10.611 -5.566 1.00 0.00 H new ATOM 1651 N ALA A 108 -15.173 -12.521 -1.207 1.00 0.00 N ATOM 1652 CA ALA A 108 -15.539 -12.772 0.182 1.00 0.00 C ATOM 1653 C ALA A 108 -14.694 -11.931 1.134 1.00 0.00 C ATOM 1654 O ALA A 108 -15.143 -11.569 2.221 1.00 0.00 O ATOM 1655 CB ALA A 108 -15.389 -14.251 0.506 1.00 0.00 C ATOM 0 H ALA A 108 -14.760 -13.321 -1.686 1.00 0.00 H new ATOM 0 HA ALA A 108 -16.582 -12.485 0.315 1.00 0.00 H new ATOM 0 HB1 ALA A 108 -15.665 -14.426 1.546 1.00 0.00 H new ATOM 0 HB2 ALA A 108 -16.040 -14.834 -0.145 1.00 0.00 H new ATOM 0 HB3 ALA A 108 -14.354 -14.555 0.350 1.00 0.00 H new ATOM 1661 N LEU A 109 -13.468 -11.626 0.719 1.00 0.00 N ATOM 1662 CA LEU A 109 -12.561 -10.829 1.537 1.00 0.00 C ATOM 1663 C LEU A 109 -13.161 -9.461 1.848 1.00 0.00 C ATOM 1664 O LEU A 109 -12.870 -8.867 2.885 1.00 0.00 O ATOM 1665 CB LEU A 109 -11.216 -10.661 0.827 1.00 0.00 C ATOM 1666 CG LEU A 109 -10.187 -11.752 1.124 1.00 0.00 C ATOM 1667 CD1 LEU A 109 -8.877 -11.459 0.409 1.00 0.00 C ATOM 1668 CD2 LEU A 109 -9.961 -11.877 2.623 1.00 0.00 C ATOM 0 H LEU A 109 -13.081 -11.919 -0.178 1.00 0.00 H new ATOM 0 HA LEU A 109 -12.405 -11.356 2.478 1.00 0.00 H new ATOM 0 HB2 LEU A 109 -11.391 -10.631 -0.248 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -10.792 -9.697 1.108 1.00 0.00 H new ATOM 0 HG LEU A 109 -10.575 -12.701 0.754 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -8.157 -12.246 0.632 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -9.050 -11.420 -0.666 1.00 0.00 H new ATOM 0 HD13 LEU A 109 -8.484 -10.501 0.748 1.00 0.00 H new ATOM 0 HD21 LEU A 109 -9.226 -12.658 2.816 1.00 0.00 H new ATOM 0 HD22 LEU A 109 -9.595 -10.929 3.016 1.00 0.00 H new ATOM 0 HD23 LEU A 109 -10.900 -12.134 3.112 1.00 0.00 H new ATOM 1680 N LEU A 110 -14.000 -8.966 0.941 1.00 0.00 N ATOM 1681 CA LEU A 110 -14.640 -7.667 1.122 1.00 0.00 C ATOM 1682 C LEU A 110 -15.439 -7.630 2.419 1.00 0.00 C ATOM 1683 O LEU A 110 -15.358 -6.668 3.182 1.00 0.00 O ATOM 1684 CB LEU A 110 -15.556 -7.357 -0.064 1.00 0.00 C ATOM 1685 CG LEU A 110 -14.878 -6.652 -1.240 1.00 0.00 C ATOM 1686 CD1 LEU A 110 -15.687 -6.841 -2.513 1.00 0.00 C ATOM 1687 CD2 LEU A 110 -14.695 -5.171 -0.937 1.00 0.00 C ATOM 0 H LEU A 110 -14.252 -9.444 0.076 1.00 0.00 H new ATOM 0 HA LEU A 110 -13.858 -6.909 1.177 1.00 0.00 H new ATOM 0 HB2 LEU A 110 -15.990 -8.291 -0.422 1.00 0.00 H new ATOM 0 HB3 LEU A 110 -16.380 -6.735 0.286 1.00 0.00 H new ATOM 0 HG LEU A 110 -13.895 -7.097 -1.390 1.00 0.00 H new ATOM 0 HD11 LEU A 110 -15.190 -6.333 -3.339 1.00 0.00 H new ATOM 0 HD12 LEU A 110 -15.769 -7.904 -2.738 1.00 0.00 H new ATOM 0 HD13 LEU A 110 -16.684 -6.422 -2.376 1.00 0.00 H new ATOM 0 HD21 LEU A 110 -14.211 -4.684 -1.783 1.00 0.00 H new ATOM 0 HD22 LEU A 110 -15.668 -4.712 -0.762 1.00 0.00 H new ATOM 0 HD23 LEU A 110 -14.074 -5.055 -0.048 1.00 0.00 H new ATOM 1699 N THR A 111 -16.210 -8.685 2.665 1.00 0.00 N ATOM 1700 CA THR A 111 -17.024 -8.773 3.871 1.00 0.00 C ATOM 1701 C THR A 111 -16.150 -9.003 5.099 1.00 0.00 C ATOM 1702 O THR A 111 -16.473 -8.546 6.197 1.00 0.00 O ATOM 1703 CB THR A 111 -18.047 -9.902 3.739 1.00 0.00 C ATOM 1704 OG1 THR A 111 -17.399 -11.157 3.642 1.00 0.00 O ATOM 1705 CG2 THR A 111 -18.949 -9.755 2.533 1.00 0.00 C ATOM 0 H THR A 111 -16.288 -9.491 2.044 1.00 0.00 H new ATOM 0 HA THR A 111 -17.552 -7.827 3.995 1.00 0.00 H new ATOM 0 HB THR A 111 -18.660 -9.843 4.639 1.00 0.00 H new ATOM 0 HG1 THR A 111 -16.712 -11.117 2.944 1.00 0.00 H new ATOM 0 HG21 THR A 111 -19.650 -10.589 2.499 1.00 0.00 H new ATOM 0 HG22 THR A 111 -19.502 -8.818 2.604 1.00 0.00 H new ATOM 0 HG23 THR A 111 -18.345 -9.752 1.625 1.00 0.00 H new ATOM 1713 N ARG A 112 -15.043 -9.712 4.908 1.00 0.00 N ATOM 1714 CA ARG A 112 -14.123 -10.002 6.001 1.00 0.00 C ATOM 1715 C ARG A 112 -13.128 -8.861 6.190 1.00 0.00 C ATOM 1716 O ARG A 112 -12.306 -8.589 5.314 1.00 0.00 O ATOM 1717 CB ARG A 112 -13.374 -11.308 5.731 1.00 0.00 C ATOM 1718 CG ARG A 112 -14.131 -12.547 6.183 1.00 0.00 C ATOM 1719 CD ARG A 112 -13.782 -13.757 5.332 1.00 0.00 C ATOM 1720 NE ARG A 112 -14.880 -14.137 4.445 1.00 0.00 N ATOM 1721 CZ ARG A 112 -15.979 -14.769 4.852 1.00 0.00 C ATOM 1722 NH1 ARG A 112 -16.129 -15.095 6.130 1.00 0.00 N ATOM 1723 NH2 ARG A 112 -16.929 -15.074 3.980 1.00 0.00 N ATOM 0 H ARG A 112 -14.761 -10.096 4.006 1.00 0.00 H new ATOM 0 HA ARG A 112 -14.706 -10.108 6.916 1.00 0.00 H new ATOM 0 HB2 ARG A 112 -13.170 -11.386 4.663 1.00 0.00 H new ATOM 0 HB3 ARG A 112 -12.410 -11.276 6.238 1.00 0.00 H new ATOM 0 HG2 ARG A 112 -13.898 -12.756 7.227 1.00 0.00 H new ATOM 0 HG3 ARG A 112 -15.203 -12.359 6.128 1.00 0.00 H new ATOM 0 HD2 ARG A 112 -12.895 -13.539 4.738 1.00 0.00 H new ATOM 0 HD3 ARG A 112 -13.533 -14.597 5.981 1.00 0.00 H new ATOM 0 HE ARG A 112 -14.799 -13.904 3.455 1.00 0.00 H new ATOM 0 HH11 ARG A 112 -15.401 -14.861 6.805 1.00 0.00 H new ATOM 0 HH12 ARG A 112 -16.973 -15.579 6.437 1.00 0.00 H new ATOM 0 HH21 ARG A 112 -16.818 -14.825 2.997 1.00 0.00 H new ATOM 0 HH22 ARG A 112 -17.771 -15.558 4.292 1.00 0.00 H new ATOM 1737 N ARG A 113 -13.207 -8.198 7.339 1.00 0.00 N ATOM 1738 CA ARG A 113 -12.314 -7.086 7.643 1.00 0.00 C ATOM 1739 C ARG A 113 -11.098 -7.563 8.430 1.00 0.00 C ATOM 1740 O ARG A 113 -10.005 -7.013 8.295 1.00 0.00 O ATOM 1741 CB ARG A 113 -13.059 -6.009 8.435 1.00 0.00 C ATOM 1742 CG ARG A 113 -14.267 -5.446 7.706 1.00 0.00 C ATOM 1743 CD ARG A 113 -15.168 -4.660 8.646 1.00 0.00 C ATOM 1744 NE ARG A 113 -16.364 -4.163 7.970 1.00 0.00 N ATOM 1745 CZ ARG A 113 -17.222 -3.304 8.518 1.00 0.00 C ATOM 1746 NH1 ARG A 113 -17.020 -2.847 9.747 1.00 0.00 N ATOM 1747 NH2 ARG A 113 -18.284 -2.903 7.834 1.00 0.00 N ATOM 0 H ARG A 113 -13.880 -8.411 8.075 1.00 0.00 H new ATOM 0 HA ARG A 113 -11.969 -6.661 6.700 1.00 0.00 H new ATOM 0 HB2 ARG A 113 -13.383 -6.429 9.388 1.00 0.00 H new ATOM 0 HB3 ARG A 113 -12.370 -5.195 8.663 1.00 0.00 H new ATOM 0 HG2 ARG A 113 -13.935 -4.800 6.894 1.00 0.00 H new ATOM 0 HG3 ARG A 113 -14.833 -6.261 7.254 1.00 0.00 H new ATOM 0 HD2 ARG A 113 -15.462 -5.295 9.482 1.00 0.00 H new ATOM 0 HD3 ARG A 113 -14.612 -3.820 9.063 1.00 0.00 H new ATOM 0 HE ARG A 113 -16.553 -4.493 7.024 1.00 0.00 H new ATOM 0 HH11 ARG A 113 -16.204 -3.153 10.277 1.00 0.00 H new ATOM 0 HH12 ARG A 113 -17.680 -2.189 10.162 1.00 0.00 H new ATOM 0 HH21 ARG A 113 -18.444 -3.252 6.889 1.00 0.00 H new ATOM 0 HH22 ARG A 113 -18.942 -2.245 8.253 1.00 0.00 H new ATOM 1761 N ASP A 114 -11.295 -8.589 9.251 1.00 0.00 N ATOM 1762 CA ASP A 114 -10.214 -9.139 10.059 1.00 0.00 C ATOM 1763 C ASP A 114 -9.191 -9.860 9.187 1.00 0.00 C ATOM 1764 O ASP A 114 -7.987 -9.626 9.302 1.00 0.00 O ATOM 1765 CB ASP A 114 -10.773 -10.103 11.108 1.00 0.00 C ATOM 1766 CG ASP A 114 -11.860 -9.469 11.954 1.00 0.00 C ATOM 1767 OD1 ASP A 114 -11.640 -8.350 12.464 1.00 0.00 O ATOM 1768 OD2 ASP A 114 -12.932 -10.092 12.107 1.00 0.00 O ATOM 0 H ASP A 114 -12.193 -9.056 9.374 1.00 0.00 H new ATOM 0 HA ASP A 114 -9.716 -8.311 10.562 1.00 0.00 H new ATOM 0 HB2 ASP A 114 -11.173 -10.986 10.610 1.00 0.00 H new ATOM 0 HB3 ASP A 114 -9.964 -10.441 11.755 1.00 0.00 H new ATOM 1773 N GLU A 115 -9.677 -10.737 8.315 1.00 0.00 N ATOM 1774 CA GLU A 115 -8.805 -11.492 7.424 1.00 0.00 C ATOM 1775 C GLU A 115 -8.079 -10.564 6.454 1.00 0.00 C ATOM 1776 O GLU A 115 -6.926 -10.804 6.095 1.00 0.00 O ATOM 1777 CB GLU A 115 -9.615 -12.533 6.645 1.00 0.00 C ATOM 1778 CG GLU A 115 -8.942 -13.894 6.570 1.00 0.00 C ATOM 1779 CD GLU A 115 -9.542 -14.893 7.540 1.00 0.00 C ATOM 1780 OE1 GLU A 115 -10.784 -15.021 7.569 1.00 0.00 O ATOM 1781 OE2 GLU A 115 -8.770 -15.548 8.272 1.00 0.00 O ATOM 0 H GLU A 115 -10.670 -10.942 8.207 1.00 0.00 H new ATOM 0 HA GLU A 115 -8.060 -12.003 8.034 1.00 0.00 H new ATOM 0 HB2 GLU A 115 -10.593 -12.646 7.113 1.00 0.00 H new ATOM 0 HB3 GLU A 115 -9.787 -12.165 5.633 1.00 0.00 H new ATOM 0 HG2 GLU A 115 -9.027 -14.282 5.555 1.00 0.00 H new ATOM 0 HG3 GLU A 115 -7.878 -13.782 6.781 1.00 0.00 H new ATOM 1788 N LEU A 116 -8.762 -9.505 6.032 1.00 0.00 N ATOM 1789 CA LEU A 116 -8.181 -8.542 5.103 1.00 0.00 C ATOM 1790 C LEU A 116 -7.190 -7.627 5.814 1.00 0.00 C ATOM 1791 O LEU A 116 -6.148 -7.275 5.261 1.00 0.00 O ATOM 1792 CB LEU A 116 -9.284 -7.706 4.448 1.00 0.00 C ATOM 1793 CG LEU A 116 -8.806 -6.748 3.355 1.00 0.00 C ATOM 1794 CD1 LEU A 116 -8.155 -7.518 2.217 1.00 0.00 C ATOM 1795 CD2 LEU A 116 -9.966 -5.910 2.839 1.00 0.00 C ATOM 0 H LEU A 116 -9.718 -9.292 6.318 1.00 0.00 H new ATOM 0 HA LEU A 116 -7.646 -9.097 4.332 1.00 0.00 H new ATOM 0 HB2 LEU A 116 -10.025 -8.381 4.020 1.00 0.00 H new ATOM 0 HB3 LEU A 116 -9.789 -7.128 5.222 1.00 0.00 H new ATOM 0 HG LEU A 116 -8.061 -6.078 3.785 1.00 0.00 H new ATOM 0 HD11 LEU A 116 -7.821 -6.820 1.449 1.00 0.00 H new ATOM 0 HD12 LEU A 116 -7.299 -8.075 2.598 1.00 0.00 H new ATOM 0 HD13 LEU A 116 -8.877 -8.212 1.787 1.00 0.00 H new ATOM 0 HD21 LEU A 116 -9.609 -5.234 2.062 1.00 0.00 H new ATOM 0 HD22 LEU A 116 -10.733 -6.565 2.426 1.00 0.00 H new ATOM 0 HD23 LEU A 116 -10.389 -5.330 3.659 1.00 0.00 H new ATOM 1807 N PHE A 117 -7.520 -7.247 7.044 1.00 0.00 N ATOM 1808 CA PHE A 117 -6.658 -6.372 7.831 1.00 0.00 C ATOM 1809 C PHE A 117 -5.348 -7.069 8.186 1.00 0.00 C ATOM 1810 O PHE A 117 -4.326 -6.416 8.402 1.00 0.00 O ATOM 1811 CB PHE A 117 -7.375 -5.931 9.108 1.00 0.00 C ATOM 1812 CG PHE A 117 -6.678 -4.816 9.834 1.00 0.00 C ATOM 1813 CD1 PHE A 117 -6.490 -3.586 9.224 1.00 0.00 C ATOM 1814 CD2 PHE A 117 -6.211 -4.999 11.126 1.00 0.00 C ATOM 1815 CE1 PHE A 117 -5.849 -2.559 9.890 1.00 0.00 C ATOM 1816 CE2 PHE A 117 -5.570 -3.975 11.796 1.00 0.00 C ATOM 1817 CZ PHE A 117 -5.388 -2.754 11.178 1.00 0.00 C ATOM 0 H PHE A 117 -8.378 -7.531 7.517 1.00 0.00 H new ATOM 0 HA PHE A 117 -6.428 -5.494 7.227 1.00 0.00 H new ATOM 0 HB2 PHE A 117 -8.386 -5.613 8.855 1.00 0.00 H new ATOM 0 HB3 PHE A 117 -7.468 -6.787 9.777 1.00 0.00 H new ATOM 0 HD1 PHE A 117 -6.848 -3.428 8.217 1.00 0.00 H new ATOM 0 HD2 PHE A 117 -6.350 -5.952 11.614 1.00 0.00 H new ATOM 0 HE1 PHE A 117 -5.708 -1.605 9.404 1.00 0.00 H new ATOM 0 HE2 PHE A 117 -5.211 -4.130 12.803 1.00 0.00 H new ATOM 0 HZ PHE A 117 -4.886 -1.953 11.700 1.00 0.00 H new ATOM 1827 N ALA A 118 -5.382 -8.397 8.248 1.00 0.00 N ATOM 1828 CA ALA A 118 -4.196 -9.176 8.579 1.00 0.00 C ATOM 1829 C ALA A 118 -3.314 -9.391 7.352 1.00 0.00 C ATOM 1830 O ALA A 118 -2.119 -9.096 7.376 1.00 0.00 O ATOM 1831 CB ALA A 118 -4.597 -10.514 9.183 1.00 0.00 C ATOM 0 H ALA A 118 -6.218 -8.955 8.073 1.00 0.00 H new ATOM 0 HA ALA A 118 -3.618 -8.614 9.313 1.00 0.00 H new ATOM 0 HB1 ALA A 118 -3.702 -11.086 9.426 1.00 0.00 H new ATOM 0 HB2 ALA A 118 -5.177 -10.344 10.090 1.00 0.00 H new ATOM 0 HB3 ALA A 118 -5.200 -11.071 8.466 1.00 0.00 H new ATOM 1837 N LEU A 119 -3.911 -9.908 6.283 1.00 0.00 N ATOM 1838 CA LEU A 119 -3.179 -10.165 5.049 1.00 0.00 C ATOM 1839 C LEU A 119 -2.559 -8.884 4.499 1.00 0.00 C ATOM 1840 O LEU A 119 -1.371 -8.845 4.180 1.00 0.00 O ATOM 1841 CB LEU A 119 -4.107 -10.784 4.002 1.00 0.00 C ATOM 1842 CG LEU A 119 -4.729 -12.125 4.399 1.00 0.00 C ATOM 1843 CD1 LEU A 119 -5.884 -12.472 3.474 1.00 0.00 C ATOM 1844 CD2 LEU A 119 -3.678 -13.225 4.377 1.00 0.00 C ATOM 0 H LEU A 119 -4.899 -10.157 6.247 1.00 0.00 H new ATOM 0 HA LEU A 119 -2.375 -10.865 5.276 1.00 0.00 H new ATOM 0 HB2 LEU A 119 -4.909 -10.078 3.787 1.00 0.00 H new ATOM 0 HB3 LEU A 119 -3.546 -10.920 3.077 1.00 0.00 H new ATOM 0 HG LEU A 119 -5.117 -12.039 5.414 1.00 0.00 H new ATOM 0 HD11 LEU A 119 -6.314 -13.429 3.772 1.00 0.00 H new ATOM 0 HD12 LEU A 119 -6.647 -11.696 3.538 1.00 0.00 H new ATOM 0 HD13 LEU A 119 -5.521 -12.541 2.449 1.00 0.00 H new ATOM 0 HD21 LEU A 119 -4.136 -14.172 4.662 1.00 0.00 H new ATOM 0 HD22 LEU A 119 -3.262 -13.311 3.373 1.00 0.00 H new ATOM 0 HD23 LEU A 119 -2.882 -12.982 5.080 1.00 0.00 H new ATOM 1856 N ALA A 120 -3.372 -7.837 4.390 1.00 0.00 N ATOM 1857 CA ALA A 120 -2.903 -6.555 3.877 1.00 0.00 C ATOM 1858 C ALA A 120 -1.743 -6.017 4.709 1.00 0.00 C ATOM 1859 O ALA A 120 -0.681 -5.696 4.176 1.00 0.00 O ATOM 1860 CB ALA A 120 -4.045 -5.550 3.850 1.00 0.00 C ATOM 0 H ALA A 120 -4.358 -7.852 4.650 1.00 0.00 H new ATOM 0 HA ALA A 120 -2.542 -6.710 2.860 1.00 0.00 H new ATOM 0 HB1 ALA A 120 -3.682 -4.597 3.465 1.00 0.00 H new ATOM 0 HB2 ALA A 120 -4.842 -5.922 3.206 1.00 0.00 H new ATOM 0 HB3 ALA A 120 -4.431 -5.410 4.860 1.00 0.00 H new ATOM 1866 N ARG A 121 -1.955 -5.918 6.017 1.00 0.00 N ATOM 1867 CA ARG A 121 -0.927 -5.416 6.923 1.00 0.00 C ATOM 1868 C ARG A 121 0.336 -6.267 6.844 1.00 0.00 C ATOM 1869 O ARG A 121 1.442 -5.774 7.068 1.00 0.00 O ATOM 1870 CB ARG A 121 -1.453 -5.396 8.360 1.00 0.00 C ATOM 1871 CG ARG A 121 -0.731 -4.405 9.258 1.00 0.00 C ATOM 1872 CD ARG A 121 -1.513 -4.141 10.535 1.00 0.00 C ATOM 1873 NE ARG A 121 -1.083 -2.912 11.196 1.00 0.00 N ATOM 1874 CZ ARG A 121 0.008 -2.819 11.954 1.00 0.00 C ATOM 1875 NH1 ARG A 121 0.782 -3.880 12.148 1.00 0.00 N ATOM 1876 NH2 ARG A 121 0.324 -1.663 12.521 1.00 0.00 N ATOM 0 H ARG A 121 -2.829 -6.179 6.474 1.00 0.00 H new ATOM 0 HA ARG A 121 -0.676 -4.400 6.619 1.00 0.00 H new ATOM 0 HB2 ARG A 121 -2.516 -5.154 8.346 1.00 0.00 H new ATOM 0 HB3 ARG A 121 -1.360 -6.395 8.786 1.00 0.00 H new ATOM 0 HG2 ARG A 121 0.257 -4.791 9.508 1.00 0.00 H new ATOM 0 HG3 ARG A 121 -0.581 -3.468 8.721 1.00 0.00 H new ATOM 0 HD2 ARG A 121 -2.576 -4.075 10.302 1.00 0.00 H new ATOM 0 HD3 ARG A 121 -1.388 -4.982 11.217 1.00 0.00 H new ATOM 0 HE ARG A 121 -1.652 -2.075 11.070 1.00 0.00 H new ATOM 0 HH11 ARG A 121 0.542 -4.772 11.716 1.00 0.00 H new ATOM 0 HH12 ARG A 121 1.616 -3.803 12.730 1.00 0.00 H new ATOM 0 HH21 ARG A 121 -0.268 -0.845 12.377 1.00 0.00 H new ATOM 0 HH22 ARG A 121 1.160 -1.591 13.102 1.00 0.00 H new ATOM 1890 N GLN A 122 0.166 -7.547 6.527 1.00 0.00 N ATOM 1891 CA GLN A 122 1.295 -8.464 6.421 1.00 0.00 C ATOM 1892 C GLN A 122 2.224 -8.059 5.279 1.00 0.00 C ATOM 1893 O GLN A 122 3.445 -8.166 5.392 1.00 0.00 O ATOM 1894 CB GLN A 122 0.798 -9.895 6.208 1.00 0.00 C ATOM 1895 CG GLN A 122 1.637 -10.943 6.921 1.00 0.00 C ATOM 1896 CD GLN A 122 0.985 -12.311 6.919 1.00 0.00 C ATOM 1897 OE1 GLN A 122 0.802 -12.926 7.970 1.00 0.00 O ATOM 1898 NE2 GLN A 122 0.631 -12.795 5.735 1.00 0.00 N ATOM 0 H GLN A 122 -0.742 -7.972 6.339 1.00 0.00 H new ATOM 0 HA GLN A 122 1.857 -8.417 7.354 1.00 0.00 H new ATOM 0 HB2 GLN A 122 -0.232 -9.968 6.556 1.00 0.00 H new ATOM 0 HB3 GLN A 122 0.790 -10.113 5.140 1.00 0.00 H new ATOM 0 HG2 GLN A 122 2.614 -11.009 6.441 1.00 0.00 H new ATOM 0 HG3 GLN A 122 1.808 -10.628 7.950 1.00 0.00 H new ATOM 0 HE21 GLN A 122 0.802 -12.250 4.890 1.00 0.00 H new ATOM 0 HE22 GLN A 122 0.188 -13.711 5.670 1.00 0.00 H new ATOM 1907 N ILE A 123 1.636 -7.597 4.180 1.00 0.00 N ATOM 1908 CA ILE A 123 2.412 -7.179 3.019 1.00 0.00 C ATOM 1909 C ILE A 123 3.117 -5.852 3.275 1.00 0.00 C ATOM 1910 O ILE A 123 4.210 -5.609 2.764 1.00 0.00 O ATOM 1911 CB ILE A 123 1.521 -7.040 1.769 1.00 0.00 C ATOM 1912 CG1 ILE A 123 0.658 -8.291 1.589 1.00 0.00 C ATOM 1913 CG2 ILE A 123 2.375 -6.798 0.534 1.00 0.00 C ATOM 1914 CD1 ILE A 123 -0.283 -8.210 0.405 1.00 0.00 C ATOM 0 H ILE A 123 0.626 -7.503 4.070 1.00 0.00 H new ATOM 0 HA ILE A 123 3.157 -7.954 2.842 1.00 0.00 H new ATOM 0 HB ILE A 123 0.862 -6.183 1.905 1.00 0.00 H new ATOM 0 HG12 ILE A 123 1.308 -9.157 1.468 1.00 0.00 H new ATOM 0 HG13 ILE A 123 0.075 -8.455 2.496 1.00 0.00 H new ATOM 0 HG21 ILE A 123 1.731 -6.702 -0.340 1.00 0.00 H new ATOM 0 HG22 ILE A 123 2.950 -5.881 0.663 1.00 0.00 H new ATOM 0 HG23 ILE A 123 3.056 -7.637 0.393 1.00 0.00 H new ATOM 0 HD11 ILE A 123 -0.863 -9.130 0.338 1.00 0.00 H new ATOM 0 HD12 ILE A 123 -0.958 -7.364 0.534 1.00 0.00 H new ATOM 0 HD13 ILE A 123 0.294 -8.078 -0.510 1.00 0.00 H new ATOM 1926 N SER A 124 2.484 -4.995 4.069 1.00 0.00 N ATOM 1927 CA SER A 124 3.051 -3.690 4.393 1.00 0.00 C ATOM 1928 C SER A 124 4.350 -3.838 5.181 1.00 0.00 C ATOM 1929 O SER A 124 5.236 -2.988 5.099 1.00 0.00 O ATOM 1930 CB SER A 124 2.047 -2.860 5.196 1.00 0.00 C ATOM 1931 OG SER A 124 2.269 -1.472 5.011 1.00 0.00 O ATOM 0 H SER A 124 1.578 -5.180 4.500 1.00 0.00 H new ATOM 0 HA SER A 124 3.272 -3.177 3.457 1.00 0.00 H new ATOM 0 HB2 SER A 124 1.032 -3.113 4.888 1.00 0.00 H new ATOM 0 HB3 SER A 124 2.130 -3.107 6.254 1.00 0.00 H new ATOM 0 HG SER A 124 2.948 -1.162 5.646 1.00 0.00 H new ATOM 1937 N ARG A 125 4.455 -4.921 5.944 1.00 0.00 N ATOM 1938 CA ARG A 125 5.645 -5.178 6.746 1.00 0.00 C ATOM 1939 C ARG A 125 6.796 -5.672 5.876 1.00 0.00 C ATOM 1940 O ARG A 125 7.959 -5.358 6.131 1.00 0.00 O ATOM 1941 CB ARG A 125 5.338 -6.206 7.837 1.00 0.00 C ATOM 1942 CG ARG A 125 4.755 -5.594 9.101 1.00 0.00 C ATOM 1943 CD ARG A 125 5.446 -6.121 10.349 1.00 0.00 C ATOM 1944 NE ARG A 125 6.633 -5.339 10.689 1.00 0.00 N ATOM 1945 CZ ARG A 125 7.519 -5.701 11.614 1.00 0.00 C ATOM 1946 NH1 ARG A 125 7.356 -6.830 12.294 1.00 0.00 N ATOM 1947 NH2 ARG A 125 8.570 -4.932 11.861 1.00 0.00 N ATOM 0 H ARG A 125 3.730 -5.634 6.024 1.00 0.00 H new ATOM 0 HA ARG A 125 5.945 -4.240 7.213 1.00 0.00 H new ATOM 0 HB2 ARG A 125 4.638 -6.943 7.444 1.00 0.00 H new ATOM 0 HB3 ARG A 125 6.254 -6.740 8.090 1.00 0.00 H new ATOM 0 HG2 ARG A 125 4.855 -4.509 9.060 1.00 0.00 H new ATOM 0 HG3 ARG A 125 3.689 -5.814 9.154 1.00 0.00 H new ATOM 0 HD2 ARG A 125 4.747 -6.102 11.186 1.00 0.00 H new ATOM 0 HD3 ARG A 125 5.730 -7.162 10.194 1.00 0.00 H new ATOM 0 HE ARG A 125 6.792 -4.465 10.188 1.00 0.00 H new ATOM 0 HH11 ARG A 125 6.549 -7.425 12.109 1.00 0.00 H new ATOM 0 HH12 ARG A 125 8.038 -7.102 13.002 1.00 0.00 H new ATOM 0 HH21 ARG A 125 8.699 -4.063 11.342 1.00 0.00 H new ATOM 0 HH22 ARG A 125 9.249 -5.209 12.570 1.00 0.00 H new ATOM 1961 N GLU A 126 6.465 -6.448 4.849 1.00 0.00 N ATOM 1962 CA GLU A 126 7.471 -6.986 3.942 1.00 0.00 C ATOM 1963 C GLU A 126 8.192 -5.865 3.199 1.00 0.00 C ATOM 1964 O GLU A 126 9.422 -5.830 3.149 1.00 0.00 O ATOM 1965 CB GLU A 126 6.825 -7.946 2.941 1.00 0.00 C ATOM 1966 CG GLU A 126 7.652 -9.192 2.672 1.00 0.00 C ATOM 1967 CD GLU A 126 6.810 -10.450 2.612 1.00 0.00 C ATOM 1968 OE1 GLU A 126 6.078 -10.722 3.586 1.00 0.00 O ATOM 1969 OE2 GLU A 126 6.881 -11.164 1.589 1.00 0.00 O ATOM 0 H GLU A 126 5.507 -6.718 4.624 1.00 0.00 H new ATOM 0 HA GLU A 126 8.204 -7.532 4.536 1.00 0.00 H new ATOM 0 HB2 GLU A 126 5.846 -8.244 3.316 1.00 0.00 H new ATOM 0 HB3 GLU A 126 6.660 -7.420 2.001 1.00 0.00 H new ATOM 0 HG2 GLU A 126 8.187 -9.072 1.730 1.00 0.00 H new ATOM 0 HG3 GLU A 126 8.404 -9.300 3.454 1.00 0.00 H new ATOM 1976 N VAL A 127 7.419 -4.951 2.621 1.00 0.00 N ATOM 1977 CA VAL A 127 7.984 -3.830 1.879 1.00 0.00 C ATOM 1978 C VAL A 127 8.843 -2.950 2.781 1.00 0.00 C ATOM 1979 O VAL A 127 9.939 -2.539 2.401 1.00 0.00 O ATOM 1980 CB VAL A 127 6.881 -2.967 1.240 1.00 0.00 C ATOM 1981 CG1 VAL A 127 7.488 -1.926 0.310 1.00 0.00 C ATOM 1982 CG2 VAL A 127 5.883 -3.840 0.495 1.00 0.00 C ATOM 0 H VAL A 127 6.400 -4.965 2.652 1.00 0.00 H new ATOM 0 HA VAL A 127 8.606 -4.254 1.091 1.00 0.00 H new ATOM 0 HB VAL A 127 6.349 -2.445 2.035 1.00 0.00 H new ATOM 0 HG11 VAL A 127 6.693 -1.326 -0.132 1.00 0.00 H new ATOM 0 HG12 VAL A 127 8.159 -1.280 0.876 1.00 0.00 H new ATOM 0 HG13 VAL A 127 8.047 -2.426 -0.480 1.00 0.00 H new ATOM 0 HG21 VAL A 127 5.111 -3.212 0.050 1.00 0.00 H new ATOM 0 HG22 VAL A 127 6.398 -4.393 -0.291 1.00 0.00 H new ATOM 0 HG23 VAL A 127 5.423 -4.542 1.191 1.00 0.00 H new ATOM 1992 N THR A 128 8.337 -2.665 3.977 1.00 0.00 N ATOM 1993 CA THR A 128 9.059 -1.833 4.933 1.00 0.00 C ATOM 1994 C THR A 128 10.356 -2.504 5.378 1.00 0.00 C ATOM 1995 O THR A 128 11.299 -1.834 5.800 1.00 0.00 O ATOM 1996 CB THR A 128 8.181 -1.542 6.151 1.00 0.00 C ATOM 1997 OG1 THR A 128 6.863 -1.209 5.750 1.00 0.00 O ATOM 1998 CG2 THR A 128 8.701 -0.406 7.005 1.00 0.00 C ATOM 0 H THR A 128 7.431 -2.998 4.307 1.00 0.00 H new ATOM 0 HA THR A 128 9.310 -0.895 4.438 1.00 0.00 H new ATOM 0 HB THR A 128 8.195 -2.457 6.743 1.00 0.00 H new ATOM 0 HG1 THR A 128 6.255 -1.940 5.987 1.00 0.00 H new ATOM 0 HG21 THR A 128 8.032 -0.252 7.852 1.00 0.00 H new ATOM 0 HG22 THR A 128 9.698 -0.652 7.370 1.00 0.00 H new ATOM 0 HG23 THR A 128 8.748 0.505 6.409 1.00 0.00 H new ATOM 2006 N TYR A 129 10.398 -3.831 5.284 1.00 0.00 N ATOM 2007 CA TYR A 129 11.581 -4.589 5.678 1.00 0.00 C ATOM 2008 C TYR A 129 12.823 -4.091 4.946 1.00 0.00 C ATOM 2009 O TYR A 129 13.766 -3.599 5.565 1.00 0.00 O ATOM 2010 CB TYR A 129 11.373 -6.080 5.398 1.00 0.00 C ATOM 2011 CG TYR A 129 12.498 -6.954 5.903 1.00 0.00 C ATOM 2012 CD1 TYR A 129 12.614 -7.259 7.254 1.00 0.00 C ATOM 2013 CD2 TYR A 129 13.445 -7.475 5.030 1.00 0.00 C ATOM 2014 CE1 TYR A 129 13.641 -8.058 7.720 1.00 0.00 C ATOM 2015 CE2 TYR A 129 14.474 -8.275 5.488 1.00 0.00 C ATOM 2016 CZ TYR A 129 14.568 -8.564 6.833 1.00 0.00 C ATOM 2017 OH TYR A 129 15.591 -9.360 7.293 1.00 0.00 O ATOM 0 H TYR A 129 9.627 -4.402 4.939 1.00 0.00 H new ATOM 0 HA TYR A 129 11.733 -4.443 6.747 1.00 0.00 H new ATOM 0 HB2 TYR A 129 10.439 -6.401 5.860 1.00 0.00 H new ATOM 0 HB3 TYR A 129 11.264 -6.227 4.324 1.00 0.00 H new ATOM 0 HD1 TYR A 129 11.890 -6.865 7.951 1.00 0.00 H new ATOM 0 HD2 TYR A 129 13.376 -7.251 3.976 1.00 0.00 H new ATOM 0 HE1 TYR A 129 13.717 -8.285 8.773 1.00 0.00 H new ATOM 0 HE2 TYR A 129 15.202 -8.672 4.796 1.00 0.00 H new ATOM 0 HH TYR A 129 16.156 -9.634 6.540 1.00 0.00 H new ATOM 2027 N LYS A 130 12.817 -4.221 3.623 1.00 0.00 N ATOM 2028 CA LYS A 130 13.944 -3.784 2.807 1.00 0.00 C ATOM 2029 C LYS A 130 13.621 -2.477 2.089 1.00 0.00 C ATOM 2030 O LYS A 130 12.510 -2.287 1.596 1.00 0.00 O ATOM 2031 CB LYS A 130 14.315 -4.867 1.789 1.00 0.00 C ATOM 2032 CG LYS A 130 15.680 -5.488 2.033 1.00 0.00 C ATOM 2033 CD LYS A 130 15.841 -6.794 1.273 1.00 0.00 C ATOM 2034 CE LYS A 130 17.299 -7.074 0.949 1.00 0.00 C ATOM 2035 NZ LYS A 130 17.453 -8.246 0.043 1.00 0.00 N ATOM 0 H LYS A 130 12.045 -4.625 3.094 1.00 0.00 H new ATOM 0 HA LYS A 130 14.795 -3.612 3.467 1.00 0.00 H new ATOM 0 HB2 LYS A 130 13.559 -5.651 1.813 1.00 0.00 H new ATOM 0 HB3 LYS A 130 14.295 -4.436 0.788 1.00 0.00 H new ATOM 0 HG2 LYS A 130 16.459 -4.789 1.727 1.00 0.00 H new ATOM 0 HG3 LYS A 130 15.814 -5.668 3.100 1.00 0.00 H new ATOM 0 HD2 LYS A 130 15.435 -7.614 1.866 1.00 0.00 H new ATOM 0 HD3 LYS A 130 15.264 -6.752 0.349 1.00 0.00 H new ATOM 0 HE2 LYS A 130 17.742 -6.194 0.483 1.00 0.00 H new ATOM 0 HE3 LYS A 130 17.848 -7.255 1.873 1.00 0.00 H new ATOM 0 HZ1 LYS A 130 18.462 -8.403 -0.153 1.00 0.00 H new ATOM 0 HZ2 LYS A 130 17.053 -9.091 0.498 1.00 0.00 H new ATOM 0 HZ3 LYS A 130 16.951 -8.063 -0.849 1.00 0.00 H new