USER MOD reduce.3.24.130724 H: found=0, std=0, add=684, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 685 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 74 SER OG : rot 180:sc= 0.0499 USER MOD Set 1.2: A 85 GLN : amide:sc= 0.0164 X(o=0.066,f=-0.24) USER MOD Set 2.1: A 25 GLN : amide:sc= -0.55 K(o=-0.46,f=2) USER MOD Set 2.2: A 43 THR OG1 : rot 180:sc= 0.0913 USER MOD Single : A 27 THR OG1 : rot -160:sc= 0.023 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ 158:sc= -0.462 (180deg=-1.3!) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=-0.014) USER MOD Single : A 41 LYS NZ :NH3+ 173:sc= 0.942 (180deg=0.505) USER MOD Single : A 45 THR OG1 : rot 180:sc= -1.1 USER MOD Single : A 46 MET CE :methyl 147:sc= -3.71! (180deg=-5.49!) USER MOD Single : A 47 LYS NZ :NH3+ 142:sc= -1.33! (180deg=-2.44!) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 HIS : no HD1:sc= -6.6! C(o=-6.6!,f=-6.5!) USER MOD Single : A 55 GLN : amide:sc= 0 X(o=0,f=0.0062) USER MOD Single : A 56 TYR OH : rot -113:sc= -1.55 USER MOD Single : A 58 MET CE :methyl -150:sc= -0.0405 (180deg=-0.344) USER MOD Single : A 60 LYS NZ :NH3+ -170:sc= 0.666 (180deg=0.57) USER MOD Single : A 61 GLN : amide:sc= -0.257 X(o=-0.26,f=-0.079) USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 GLN : amide:sc= -2.07 X(o=-2.1,f=-1.7) USER MOD Single : A 68 GLN : amide:sc= -1.28 K(o=-1.3,f=-0.73) USER MOD Single : A 69 HIS : no HD1:sc= -0.185 K(o=-0.18,f=-1.1) USER MOD Single : A 72 HIS : no HD1:sc= -1.74 X(o=-1.7,f=-1.7) USER MOD Single : A 73 CYS SG : rot -123:sc= -1.55 USER MOD Single : A 75 ASN : amide:sc= -0.208 X(o=-0.21,f=0) USER MOD Single : A 88 SER OG : rot 180:sc= 0.0162 USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 HIS : no HD1:sc= -0.12 X(o=-0.12,f=0.0024) USER MOD Single : A 96 TYR OH : rot 180:sc= -0.885 USER MOD Single : A 98 MET CE :methyl 155:sc=-0.00537 (180deg=-0.453) USER MOD Single : A 100 SER OG : rot 95:sc= 1.11 USER MOD Single : A 102 ASN : amide:sc= -2.09! X(o=-2.1!,f=-2) USER MOD ----------------------------------------------------------------- ATOM 156 N LEU A 23 -4.176 10.064 3.708 1.00 1.00 N ATOM 157 CA LEU A 23 -4.390 9.468 2.394 1.00 1.00 C ATOM 158 C LEU A 23 -3.108 9.484 1.570 1.00 1.00 C ATOM 159 O LEU A 23 -2.251 10.351 1.746 1.00 1.00 O ATOM 160 CB LEU A 23 -5.496 10.221 1.639 1.00 1.00 C ATOM 161 CG LEU A 23 -6.760 9.414 1.321 1.00 1.00 C ATOM 162 CD1 LEU A 23 -7.144 8.516 2.484 1.00 1.00 C ATOM 163 CD2 LEU A 23 -7.907 10.351 0.982 1.00 1.00 C ATOM 0 HA LEU A 23 -4.695 8.432 2.544 1.00 1.00 H new ATOM 0 HB2 LEU A 23 -5.783 11.092 2.229 1.00 1.00 H new ATOM 0 HB3 LEU A 23 -5.081 10.593 0.702 1.00 1.00 H new ATOM 0 HG LEU A 23 -6.550 8.780 0.460 1.00 1.00 H new ATOM 0 HD11 LEU A 23 -8.044 7.956 2.230 1.00 1.00 H new ATOM 0 HD12 LEU A 23 -6.330 7.821 2.691 1.00 1.00 H new ATOM 0 HD13 LEU A 23 -7.334 9.126 3.367 1.00 1.00 H new ATOM 0 HD21 LEU A 23 -8.800 9.767 0.758 1.00 1.00 H new ATOM 0 HD22 LEU A 23 -8.105 11.005 1.831 1.00 1.00 H new ATOM 0 HD23 LEU A 23 -7.640 10.954 0.114 1.00 1.00 H new ATOM 175 N VAL A 24 -2.999 8.532 0.652 1.00 1.00 N ATOM 176 CA VAL A 24 -1.839 8.444 -0.228 1.00 1.00 C ATOM 177 C VAL A 24 -2.307 8.273 -1.675 1.00 1.00 C ATOM 178 O VAL A 24 -3.358 7.679 -1.915 1.00 1.00 O ATOM 179 CB VAL A 24 -0.879 7.287 0.151 1.00 1.00 C ATOM 180 CG1 VAL A 24 0.331 7.826 0.896 1.00 1.00 C ATOM 181 CG2 VAL A 24 -1.583 6.218 0.980 1.00 1.00 C ATOM 0 H VAL A 24 -3.701 7.808 0.497 1.00 1.00 H new ATOM 0 HA VAL A 24 -1.278 9.372 -0.114 1.00 1.00 H new ATOM 0 HB VAL A 24 -0.545 6.818 -0.775 1.00 1.00 H new ATOM 0 HG11 VAL A 24 0.996 7.002 1.155 1.00 1.00 H new ATOM 0 HG12 VAL A 24 0.863 8.535 0.262 1.00 1.00 H new ATOM 0 HG13 VAL A 24 0.004 8.328 1.806 1.00 1.00 H new ATOM 0 HG21 VAL A 24 -0.877 5.425 1.226 1.00 1.00 H new ATOM 0 HG22 VAL A 24 -1.963 6.663 1.900 1.00 1.00 H new ATOM 0 HG23 VAL A 24 -2.412 5.802 0.408 1.00 1.00 H new ATOM 191 N GLN A 25 -1.553 8.805 -2.638 1.00 1.00 N ATOM 192 CA GLN A 25 -1.946 8.708 -4.039 1.00 1.00 C ATOM 193 C GLN A 25 -1.118 7.669 -4.795 1.00 1.00 C ATOM 194 O GLN A 25 0.040 7.913 -5.130 1.00 1.00 O ATOM 195 CB GLN A 25 -1.806 10.074 -4.712 1.00 1.00 C ATOM 196 CG GLN A 25 -2.659 10.226 -5.960 1.00 1.00 C ATOM 197 CD GLN A 25 -4.006 10.859 -5.671 1.00 1.00 C ATOM 198 OE1 GLN A 25 -4.203 12.054 -5.889 1.00 1.00 O ATOM 199 NE2 GLN A 25 -4.943 10.057 -5.178 1.00 1.00 N ATOM 0 H GLN A 25 -0.677 9.301 -2.474 1.00 1.00 H new ATOM 0 HA GLN A 25 -2.987 8.385 -4.069 1.00 1.00 H new ATOM 0 HB2 GLN A 25 -2.079 10.851 -3.998 1.00 1.00 H new ATOM 0 HB3 GLN A 25 -0.760 10.235 -4.975 1.00 1.00 H new ATOM 0 HG2 GLN A 25 -2.124 10.835 -6.689 1.00 1.00 H new ATOM 0 HG3 GLN A 25 -2.812 9.246 -6.413 1.00 1.00 H new ATOM 0 HE21 GLN A 25 -4.736 9.072 -5.013 1.00 1.00 H new ATOM 0 HE22 GLN A 25 -5.870 10.426 -4.965 1.00 1.00 H new ATOM 208 N PRO A 26 -1.705 6.492 -5.083 1.00 1.00 N ATOM 209 CA PRO A 26 -1.018 5.424 -5.815 1.00 1.00 C ATOM 210 C PRO A 26 -0.832 5.774 -7.286 1.00 1.00 C ATOM 211 O PRO A 26 -1.766 6.234 -7.943 1.00 1.00 O ATOM 212 CB PRO A 26 -1.963 4.216 -5.689 1.00 1.00 C ATOM 213 CG PRO A 26 -2.989 4.608 -4.677 1.00 1.00 C ATOM 214 CD PRO A 26 -3.076 6.104 -4.731 1.00 1.00 C ATOM 0 HA PRO A 26 -0.020 5.244 -5.416 1.00 1.00 H new ATOM 0 HB2 PRO A 26 -2.428 3.981 -6.647 1.00 1.00 H new ATOM 0 HB3 PRO A 26 -1.420 3.326 -5.371 1.00 1.00 H new ATOM 0 HG2 PRO A 26 -3.953 4.153 -4.903 1.00 1.00 H new ATOM 0 HG3 PRO A 26 -2.703 4.270 -3.681 1.00 1.00 H new ATOM 0 HD2 PRO A 26 -3.797 6.441 -5.476 1.00 1.00 H new ATOM 0 HD3 PRO A 26 -3.384 6.527 -3.775 1.00 1.00 H new ATOM 222 N THR A 27 0.368 5.542 -7.808 1.00 1.00 N ATOM 223 CA THR A 27 0.648 5.826 -9.211 1.00 1.00 C ATOM 224 C THR A 27 -0.390 5.145 -10.100 1.00 1.00 C ATOM 225 O THR A 27 -1.000 4.153 -9.700 1.00 1.00 O ATOM 226 CB THR A 27 2.053 5.348 -9.582 1.00 1.00 C ATOM 227 OG1 THR A 27 2.376 4.155 -8.891 1.00 1.00 O ATOM 228 CG2 THR A 27 3.131 6.364 -9.274 1.00 1.00 C ATOM 0 H THR A 27 1.157 5.161 -7.285 1.00 1.00 H new ATOM 0 HA THR A 27 0.595 6.904 -9.366 1.00 1.00 H new ATOM 0 HB THR A 27 2.027 5.185 -10.659 1.00 1.00 H new ATOM 0 HG1 THR A 27 3.349 4.036 -8.881 1.00 1.00 H new ATOM 0 HG21 THR A 27 4.103 5.962 -9.561 1.00 1.00 H new ATOM 0 HG22 THR A 27 2.938 7.280 -9.832 1.00 1.00 H new ATOM 0 HG23 THR A 27 3.130 6.583 -8.206 1.00 1.00 H new ATOM 236 N PRO A 28 -0.613 5.666 -11.318 1.00 1.00 N ATOM 237 CA PRO A 28 -1.590 5.096 -12.248 1.00 1.00 C ATOM 238 C PRO A 28 -1.501 3.574 -12.322 1.00 1.00 C ATOM 239 O PRO A 28 -2.502 2.895 -12.550 1.00 1.00 O ATOM 240 CB PRO A 28 -1.205 5.728 -13.583 1.00 1.00 C ATOM 241 CG PRO A 28 -0.611 7.045 -13.217 1.00 1.00 C ATOM 242 CD PRO A 28 0.063 6.850 -11.883 1.00 1.00 C ATOM 0 HA PRO A 28 -2.617 5.300 -11.945 1.00 1.00 H new ATOM 0 HB2 PRO A 28 -0.491 5.107 -14.124 1.00 1.00 H new ATOM 0 HB3 PRO A 28 -2.074 5.851 -14.229 1.00 1.00 H new ATOM 0 HG2 PRO A 28 0.106 7.371 -13.971 1.00 1.00 H new ATOM 0 HG3 PRO A 28 -1.380 7.815 -13.155 1.00 1.00 H new ATOM 0 HD2 PRO A 28 1.134 6.683 -11.996 1.00 1.00 H new ATOM 0 HD3 PRO A 28 -0.057 7.723 -11.242 1.00 1.00 H new ATOM 250 N LEU A 29 -0.299 3.044 -12.116 1.00 1.00 N ATOM 251 CA LEU A 29 -0.088 1.602 -12.147 1.00 1.00 C ATOM 252 C LEU A 29 -0.680 0.957 -10.899 1.00 1.00 C ATOM 253 O LEU A 29 -1.517 0.058 -10.989 1.00 1.00 O ATOM 254 CB LEU A 29 1.406 1.280 -12.255 1.00 1.00 C ATOM 255 CG LEU A 29 1.747 -0.194 -12.508 1.00 1.00 C ATOM 256 CD1 LEU A 29 0.757 -0.825 -13.478 1.00 1.00 C ATOM 257 CD2 LEU A 29 3.169 -0.327 -13.037 1.00 1.00 C ATOM 0 H LEU A 29 0.541 3.590 -11.926 1.00 1.00 H new ATOM 0 HA LEU A 29 -0.592 1.196 -13.024 1.00 1.00 H new ATOM 0 HB2 LEU A 29 1.831 1.877 -13.062 1.00 1.00 H new ATOM 0 HB3 LEU A 29 1.895 1.595 -11.333 1.00 1.00 H new ATOM 0 HG LEU A 29 1.676 -0.726 -11.559 1.00 1.00 H new ATOM 0 HD11 LEU A 29 1.022 -1.870 -13.640 1.00 1.00 H new ATOM 0 HD12 LEU A 29 -0.249 -0.766 -13.061 1.00 1.00 H new ATOM 0 HD13 LEU A 29 0.788 -0.292 -14.428 1.00 1.00 H new ATOM 0 HD21 LEU A 29 3.395 -1.379 -13.211 1.00 1.00 H new ATOM 0 HD22 LEU A 29 3.262 0.224 -13.973 1.00 1.00 H new ATOM 0 HD23 LEU A 29 3.869 0.078 -12.306 1.00 1.00 H new ATOM 269 N LEU A 30 -0.253 1.435 -9.733 1.00 1.00 N ATOM 270 CA LEU A 30 -0.758 0.918 -8.467 1.00 1.00 C ATOM 271 C LEU A 30 -2.267 1.124 -8.390 1.00 1.00 C ATOM 272 O LEU A 30 -3.002 0.267 -7.900 1.00 1.00 O ATOM 273 CB LEU A 30 -0.070 1.618 -7.292 1.00 1.00 C ATOM 274 CG LEU A 30 -0.124 0.865 -5.960 1.00 1.00 C ATOM 275 CD1 LEU A 30 0.342 -0.573 -6.136 1.00 1.00 C ATOM 276 CD2 LEU A 30 0.720 1.578 -4.913 1.00 1.00 C ATOM 0 H LEU A 30 0.440 2.178 -9.640 1.00 1.00 H new ATOM 0 HA LEU A 30 -0.540 -0.148 -8.410 1.00 1.00 H new ATOM 0 HB2 LEU A 30 0.975 1.788 -7.553 1.00 1.00 H new ATOM 0 HB3 LEU A 30 -0.528 2.598 -7.156 1.00 1.00 H new ATOM 0 HG LEU A 30 -1.158 0.847 -5.616 1.00 1.00 H new ATOM 0 HD11 LEU A 30 0.296 -1.090 -5.178 1.00 1.00 H new ATOM 0 HD12 LEU A 30 -0.304 -1.080 -6.853 1.00 1.00 H new ATOM 0 HD13 LEU A 30 1.368 -0.581 -6.503 1.00 1.00 H new ATOM 0 HD21 LEU A 30 0.671 1.030 -3.972 1.00 1.00 H new ATOM 0 HD22 LEU A 30 1.755 1.627 -5.251 1.00 1.00 H new ATOM 0 HD23 LEU A 30 0.339 2.588 -4.765 1.00 1.00 H new ATOM 288 N LEU A 31 -2.715 2.270 -8.895 1.00 1.00 N ATOM 289 CA LEU A 31 -4.134 2.615 -8.910 1.00 1.00 C ATOM 290 C LEU A 31 -4.980 1.446 -9.414 1.00 1.00 C ATOM 291 O LEU A 31 -5.855 0.949 -8.705 1.00 1.00 O ATOM 292 CB LEU A 31 -4.363 3.844 -9.799 1.00 1.00 C ATOM 293 CG LEU A 31 -5.023 5.038 -9.107 1.00 1.00 C ATOM 294 CD1 LEU A 31 -5.388 6.109 -10.122 1.00 1.00 C ATOM 295 CD2 LEU A 31 -6.257 4.593 -8.338 1.00 1.00 C ATOM 0 H LEU A 31 -2.109 2.982 -9.303 1.00 1.00 H new ATOM 0 HA LEU A 31 -4.439 2.842 -7.889 1.00 1.00 H new ATOM 0 HB2 LEU A 31 -3.402 4.164 -10.202 1.00 1.00 H new ATOM 0 HB3 LEU A 31 -4.982 3.549 -10.646 1.00 1.00 H new ATOM 0 HG LEU A 31 -4.310 5.462 -8.400 1.00 1.00 H new ATOM 0 HD11 LEU A 31 -5.856 6.950 -9.611 1.00 1.00 H new ATOM 0 HD12 LEU A 31 -4.487 6.450 -10.631 1.00 1.00 H new ATOM 0 HD13 LEU A 31 -6.083 5.696 -10.853 1.00 1.00 H new ATOM 0 HD21 LEU A 31 -6.714 5.455 -7.852 1.00 1.00 H new ATOM 0 HD22 LEU A 31 -6.972 4.144 -9.027 1.00 1.00 H new ATOM 0 HD23 LEU A 31 -5.971 3.861 -7.583 1.00 1.00 H new ATOM 307 N SER A 32 -4.711 1.016 -10.645 1.00 1.00 N ATOM 308 CA SER A 32 -5.446 -0.091 -11.251 1.00 1.00 C ATOM 309 C SER A 32 -5.452 -1.314 -10.340 1.00 1.00 C ATOM 310 O SER A 32 -6.496 -1.931 -10.129 1.00 1.00 O ATOM 311 CB SER A 32 -4.837 -0.453 -12.607 1.00 1.00 C ATOM 312 OG SER A 32 -4.692 0.696 -13.424 1.00 1.00 O ATOM 0 H SER A 32 -3.989 1.418 -11.242 1.00 1.00 H new ATOM 0 HA SER A 32 -6.477 0.231 -11.396 1.00 1.00 H new ATOM 0 HB2 SER A 32 -3.865 -0.923 -12.459 1.00 1.00 H new ATOM 0 HB3 SER A 32 -5.470 -1.183 -13.110 1.00 1.00 H new ATOM 0 HG SER A 32 -4.299 0.438 -14.284 1.00 1.00 H new ATOM 318 N LEU A 33 -4.289 -1.661 -9.790 1.00 1.00 N ATOM 319 CA LEU A 33 -4.199 -2.811 -8.894 1.00 1.00 C ATOM 320 C LEU A 33 -5.229 -2.676 -7.781 1.00 1.00 C ATOM 321 O LEU A 33 -5.968 -3.615 -7.485 1.00 1.00 O ATOM 322 CB LEU A 33 -2.794 -2.946 -8.299 1.00 1.00 C ATOM 323 CG LEU A 33 -1.642 -2.549 -9.227 1.00 1.00 C ATOM 324 CD1 LEU A 33 -0.307 -2.941 -8.613 1.00 1.00 C ATOM 325 CD2 LEU A 33 -1.808 -3.194 -10.597 1.00 1.00 C ATOM 0 H LEU A 33 -3.409 -1.170 -9.946 1.00 1.00 H new ATOM 0 HA LEU A 33 -4.404 -3.712 -9.473 1.00 1.00 H new ATOM 0 HB2 LEU A 33 -2.740 -2.334 -7.399 1.00 1.00 H new ATOM 0 HB3 LEU A 33 -2.648 -3.981 -7.990 1.00 1.00 H new ATOM 0 HG LEU A 33 -1.661 -1.467 -9.354 1.00 1.00 H new ATOM 0 HD11 LEU A 33 0.501 -2.652 -9.285 1.00 1.00 H new ATOM 0 HD12 LEU A 33 -0.183 -2.433 -7.657 1.00 1.00 H new ATOM 0 HD13 LEU A 33 -0.281 -4.019 -8.457 1.00 1.00 H new ATOM 0 HD21 LEU A 33 -0.979 -2.899 -11.241 1.00 1.00 H new ATOM 0 HD22 LEU A 33 -1.816 -4.279 -10.490 1.00 1.00 H new ATOM 0 HD23 LEU A 33 -2.748 -2.866 -11.042 1.00 1.00 H new ATOM 337 N LEU A 34 -5.296 -1.485 -7.191 1.00 1.00 N ATOM 338 CA LEU A 34 -6.264 -1.215 -6.140 1.00 1.00 C ATOM 339 C LEU A 34 -7.663 -1.294 -6.726 1.00 1.00 C ATOM 340 O LEU A 34 -8.540 -1.977 -6.197 1.00 1.00 O ATOM 341 CB LEU A 34 -6.031 0.174 -5.532 1.00 1.00 C ATOM 342 CG LEU A 34 -4.609 0.428 -5.033 1.00 1.00 C ATOM 343 CD1 LEU A 34 -4.480 1.840 -4.486 1.00 1.00 C ATOM 344 CD2 LEU A 34 -4.234 -0.592 -3.972 1.00 1.00 C ATOM 0 H LEU A 34 -4.692 -0.696 -7.424 1.00 1.00 H new ATOM 0 HA LEU A 34 -6.149 -1.956 -5.349 1.00 1.00 H new ATOM 0 HB2 LEU A 34 -6.278 0.928 -6.280 1.00 1.00 H new ATOM 0 HB3 LEU A 34 -6.722 0.311 -4.700 1.00 1.00 H new ATOM 0 HG LEU A 34 -3.922 0.323 -5.873 1.00 1.00 H new ATOM 0 HD11 LEU A 34 -3.461 2.003 -4.135 1.00 1.00 H new ATOM 0 HD12 LEU A 34 -4.712 2.558 -5.273 1.00 1.00 H new ATOM 0 HD13 LEU A 34 -5.175 1.974 -3.657 1.00 1.00 H new ATOM 0 HD21 LEU A 34 -3.219 -0.400 -3.625 1.00 1.00 H new ATOM 0 HD22 LEU A 34 -4.925 -0.515 -3.133 1.00 1.00 H new ATOM 0 HD23 LEU A 34 -4.289 -1.595 -4.396 1.00 1.00 H new ATOM 356 N LYS A 35 -7.850 -0.597 -7.840 1.00 1.00 N ATOM 357 CA LYS A 35 -9.126 -0.575 -8.539 1.00 1.00 C ATOM 358 C LYS A 35 -9.697 -1.984 -8.675 1.00 1.00 C ATOM 359 O LYS A 35 -10.903 -2.196 -8.540 1.00 1.00 O ATOM 360 CB LYS A 35 -8.942 0.053 -9.923 1.00 1.00 C ATOM 361 CG LYS A 35 -8.746 1.562 -9.895 1.00 1.00 C ATOM 362 CD LYS A 35 -9.795 2.253 -9.037 1.00 1.00 C ATOM 363 CE LYS A 35 -9.875 3.742 -9.338 1.00 1.00 C ATOM 364 NZ LYS A 35 -9.803 4.022 -10.800 1.00 1.00 N ATOM 0 H LYS A 35 -7.124 -0.034 -8.282 1.00 1.00 H new ATOM 0 HA LYS A 35 -9.830 0.022 -7.959 1.00 1.00 H new ATOM 0 HB2 LYS A 35 -8.081 -0.406 -10.408 1.00 1.00 H new ATOM 0 HB3 LYS A 35 -9.814 -0.179 -10.535 1.00 1.00 H new ATOM 0 HG2 LYS A 35 -7.753 1.792 -9.510 1.00 1.00 H new ATOM 0 HG3 LYS A 35 -8.793 1.953 -10.911 1.00 1.00 H new ATOM 0 HD2 LYS A 35 -10.768 1.794 -9.211 1.00 1.00 H new ATOM 0 HD3 LYS A 35 -9.557 2.107 -7.983 1.00 1.00 H new ATOM 0 HE2 LYS A 35 -10.806 4.143 -8.938 1.00 1.00 H new ATOM 0 HE3 LYS A 35 -9.061 4.259 -8.830 1.00 1.00 H new ATOM 0 HZ1 LYS A 35 -10.221 4.954 -10.996 1.00 1.00 H new ATOM 0 HZ2 LYS A 35 -8.809 4.017 -11.106 1.00 1.00 H new ATOM 0 HZ3 LYS A 35 -10.328 3.290 -11.320 1.00 1.00 H new ATOM 378 N SER A 36 -8.817 -2.944 -8.939 1.00 1.00 N ATOM 379 CA SER A 36 -9.220 -4.338 -9.089 1.00 1.00 C ATOM 380 C SER A 36 -9.277 -5.040 -7.734 1.00 1.00 C ATOM 381 O SER A 36 -9.972 -6.044 -7.573 1.00 1.00 O ATOM 382 CB SER A 36 -8.249 -5.071 -10.019 1.00 1.00 C ATOM 383 OG SER A 36 -8.930 -5.631 -11.129 1.00 1.00 O ATOM 0 H SER A 36 -7.817 -2.781 -9.054 1.00 1.00 H new ATOM 0 HA SER A 36 -10.218 -4.358 -9.527 1.00 1.00 H new ATOM 0 HB2 SER A 36 -7.484 -4.379 -10.370 1.00 1.00 H new ATOM 0 HB3 SER A 36 -7.737 -5.859 -9.467 1.00 1.00 H new ATOM 0 HG SER A 36 -8.288 -6.092 -11.708 1.00 1.00 H new ATOM 389 N ALA A 37 -8.540 -4.509 -6.761 1.00 1.00 N ATOM 390 CA ALA A 37 -8.505 -5.086 -5.421 1.00 1.00 C ATOM 391 C ALA A 37 -9.682 -4.612 -4.567 1.00 1.00 C ATOM 392 O ALA A 37 -9.747 -4.907 -3.374 1.00 1.00 O ATOM 393 CB ALA A 37 -7.187 -4.746 -4.738 1.00 1.00 C ATOM 0 H ALA A 37 -7.959 -3.679 -6.877 1.00 1.00 H new ATOM 0 HA ALA A 37 -8.589 -6.168 -5.524 1.00 1.00 H new ATOM 0 HB1 ALA A 37 -7.172 -5.182 -3.739 1.00 1.00 H new ATOM 0 HB2 ALA A 37 -6.360 -5.149 -5.322 1.00 1.00 H new ATOM 0 HB3 ALA A 37 -7.085 -3.663 -4.663 1.00 1.00 H new ATOM 399 N GLY A 38 -10.612 -3.879 -5.178 1.00 1.00 N ATOM 400 CA GLY A 38 -11.765 -3.387 -4.446 1.00 1.00 C ATOM 401 C GLY A 38 -11.609 -1.940 -4.024 1.00 1.00 C ATOM 402 O GLY A 38 -12.049 -1.549 -2.942 1.00 1.00 O ATOM 0 H GLY A 38 -10.586 -3.619 -6.164 1.00 1.00 H new ATOM 0 HA2 GLY A 38 -12.655 -3.487 -5.067 1.00 1.00 H new ATOM 0 HA3 GLY A 38 -11.921 -4.005 -3.562 1.00 1.00 H new ATOM 406 N ALA A 39 -10.978 -1.144 -4.880 1.00 1.00 N ATOM 407 CA ALA A 39 -10.759 0.269 -4.595 1.00 1.00 C ATOM 408 C ALA A 39 -11.497 1.151 -5.612 1.00 1.00 C ATOM 409 O ALA A 39 -11.644 0.765 -6.772 1.00 1.00 O ATOM 410 CB ALA A 39 -9.270 0.575 -4.605 1.00 1.00 C ATOM 0 H ALA A 39 -10.609 -1.454 -5.779 1.00 1.00 H new ATOM 0 HA ALA A 39 -11.158 0.490 -3.605 1.00 1.00 H new ATOM 0 HB1 ALA A 39 -9.114 1.632 -4.391 1.00 1.00 H new ATOM 0 HB2 ALA A 39 -8.770 -0.026 -3.846 1.00 1.00 H new ATOM 0 HB3 ALA A 39 -8.856 0.338 -5.585 1.00 1.00 H new ATOM 416 N GLN A 40 -11.964 2.330 -5.186 1.00 1.00 N ATOM 417 CA GLN A 40 -12.681 3.228 -6.087 1.00 1.00 C ATOM 418 C GLN A 40 -12.043 4.616 -6.109 1.00 1.00 C ATOM 419 O GLN A 40 -11.639 5.106 -7.162 1.00 1.00 O ATOM 420 CB GLN A 40 -14.149 3.337 -5.669 1.00 1.00 C ATOM 421 CG GLN A 40 -15.014 2.198 -6.183 1.00 1.00 C ATOM 422 CD GLN A 40 -15.409 2.377 -7.636 1.00 1.00 C ATOM 423 OE1 GLN A 40 -14.699 1.942 -8.542 1.00 1.00 O ATOM 424 NE2 GLN A 40 -16.549 3.019 -7.865 1.00 1.00 N ATOM 0 H GLN A 40 -11.858 2.678 -4.233 1.00 1.00 H new ATOM 0 HA GLN A 40 -12.623 2.809 -7.092 1.00 1.00 H new ATOM 0 HB2 GLN A 40 -14.207 3.364 -4.581 1.00 1.00 H new ATOM 0 HB3 GLN A 40 -14.553 4.282 -6.033 1.00 1.00 H new ATOM 0 HG2 GLN A 40 -14.475 1.257 -6.070 1.00 1.00 H new ATOM 0 HG3 GLN A 40 -15.914 2.125 -5.572 1.00 1.00 H new ATOM 0 HE21 GLN A 40 -17.107 3.363 -7.083 1.00 1.00 H new ATOM 0 HE22 GLN A 40 -16.867 3.168 -8.823 1.00 1.00 H new ATOM 433 N LYS A 41 -11.963 5.246 -4.941 1.00 1.00 N ATOM 434 CA LYS A 41 -11.380 6.582 -4.827 1.00 1.00 C ATOM 435 C LYS A 41 -9.987 6.635 -5.449 1.00 1.00 C ATOM 436 O LYS A 41 -9.407 5.604 -5.789 1.00 1.00 O ATOM 437 CB LYS A 41 -11.310 7.008 -3.359 1.00 1.00 C ATOM 438 CG LYS A 41 -10.675 5.967 -2.450 1.00 1.00 C ATOM 439 CD LYS A 41 -11.724 5.113 -1.755 1.00 1.00 C ATOM 440 CE LYS A 41 -11.291 4.736 -0.346 1.00 1.00 C ATOM 441 NZ LYS A 41 -11.015 3.278 -0.220 1.00 1.00 N ATOM 0 H LYS A 41 -12.294 4.854 -4.059 1.00 1.00 H new ATOM 0 HA LYS A 41 -12.023 7.273 -5.372 1.00 1.00 H new ATOM 0 HB2 LYS A 41 -10.743 7.936 -3.286 1.00 1.00 H new ATOM 0 HB3 LYS A 41 -12.318 7.222 -3.003 1.00 1.00 H new ATOM 0 HG2 LYS A 41 -10.014 5.327 -3.035 1.00 1.00 H new ATOM 0 HG3 LYS A 41 -10.057 6.465 -1.703 1.00 1.00 H new ATOM 0 HD2 LYS A 41 -12.668 5.656 -1.714 1.00 1.00 H new ATOM 0 HD3 LYS A 41 -11.902 4.208 -2.336 1.00 1.00 H new ATOM 0 HE2 LYS A 41 -10.397 5.299 -0.078 1.00 1.00 H new ATOM 0 HE3 LYS A 41 -12.070 5.020 0.361 1.00 1.00 H new ATOM 0 HZ1 LYS A 41 -10.611 3.081 0.718 1.00 1.00 H new ATOM 0 HZ2 LYS A 41 -11.901 2.746 -0.334 1.00 1.00 H new ATOM 0 HZ3 LYS A 41 -10.340 2.988 -0.956 1.00 1.00 H new ATOM 455 N GLU A 42 -9.456 7.846 -5.595 1.00 1.00 N ATOM 456 CA GLU A 42 -8.131 8.039 -6.175 1.00 1.00 C ATOM 457 C GLU A 42 -7.050 7.943 -5.104 1.00 1.00 C ATOM 458 O GLU A 42 -5.932 7.504 -5.375 1.00 1.00 O ATOM 459 CB GLU A 42 -8.050 9.396 -6.878 1.00 1.00 C ATOM 460 CG GLU A 42 -8.339 10.575 -5.963 1.00 1.00 C ATOM 461 CD GLU A 42 -9.501 11.421 -6.447 1.00 1.00 C ATOM 462 OE1 GLU A 42 -9.283 12.278 -7.329 1.00 1.00 O ATOM 463 OE2 GLU A 42 -10.627 11.226 -5.945 1.00 1.00 O ATOM 0 H GLU A 42 -9.924 8.709 -5.319 1.00 1.00 H new ATOM 0 HA GLU A 42 -7.964 7.249 -6.907 1.00 1.00 H new ATOM 0 HB2 GLU A 42 -7.055 9.515 -7.306 1.00 1.00 H new ATOM 0 HB3 GLU A 42 -8.757 9.409 -7.707 1.00 1.00 H new ATOM 0 HG2 GLU A 42 -8.556 10.207 -4.960 1.00 1.00 H new ATOM 0 HG3 GLU A 42 -7.448 11.198 -5.888 1.00 1.00 H new ATOM 470 N THR A 43 -7.392 8.348 -3.884 1.00 1.00 N ATOM 471 CA THR A 43 -6.448 8.298 -2.773 1.00 1.00 C ATOM 472 C THR A 43 -6.945 7.352 -1.691 1.00 1.00 C ATOM 473 O THR A 43 -8.134 7.319 -1.378 1.00 1.00 O ATOM 474 CB THR A 43 -6.228 9.688 -2.176 1.00 1.00 C ATOM 475 OG1 THR A 43 -6.619 10.698 -3.089 1.00 1.00 O ATOM 476 CG2 THR A 43 -4.791 9.948 -1.785 1.00 1.00 C ATOM 0 H THR A 43 -8.313 8.713 -3.641 1.00 1.00 H new ATOM 0 HA THR A 43 -5.499 7.930 -3.162 1.00 1.00 H new ATOM 0 HB THR A 43 -6.843 9.716 -1.276 1.00 1.00 H new ATOM 0 HG1 THR A 43 -6.471 11.579 -2.686 1.00 1.00 H new ATOM 0 HG21 THR A 43 -4.703 10.951 -1.368 1.00 1.00 H new ATOM 0 HG22 THR A 43 -4.479 9.217 -1.039 1.00 1.00 H new ATOM 0 HG23 THR A 43 -4.153 9.864 -2.665 1.00 1.00 H new ATOM 484 N PHE A 44 -6.028 6.585 -1.123 1.00 1.00 N ATOM 485 CA PHE A 44 -6.370 5.636 -0.076 1.00 1.00 C ATOM 486 C PHE A 44 -5.418 5.769 1.104 1.00 1.00 C ATOM 487 O PHE A 44 -4.261 6.145 0.934 1.00 1.00 O ATOM 488 CB PHE A 44 -6.300 4.209 -0.623 1.00 1.00 C ATOM 489 CG PHE A 44 -7.105 3.989 -1.868 1.00 1.00 C ATOM 490 CD1 PHE A 44 -6.660 4.467 -3.090 1.00 1.00 C ATOM 491 CD2 PHE A 44 -8.298 3.288 -1.820 1.00 1.00 C ATOM 492 CE1 PHE A 44 -7.392 4.250 -4.242 1.00 1.00 C ATOM 493 CE2 PHE A 44 -9.035 3.072 -2.969 1.00 1.00 C ATOM 494 CZ PHE A 44 -8.581 3.552 -4.180 1.00 1.00 C ATOM 0 H PHE A 44 -5.039 6.601 -1.370 1.00 1.00 H new ATOM 0 HA PHE A 44 -7.384 5.851 0.262 1.00 1.00 H new ATOM 0 HB2 PHE A 44 -5.259 3.961 -0.828 1.00 1.00 H new ATOM 0 HB3 PHE A 44 -6.646 3.519 0.147 1.00 1.00 H new ATOM 0 HD1 PHE A 44 -5.731 5.015 -3.143 1.00 1.00 H new ATOM 0 HD2 PHE A 44 -8.656 2.906 -0.875 1.00 1.00 H new ATOM 0 HE1 PHE A 44 -7.034 4.626 -5.189 1.00 1.00 H new ATOM 0 HE2 PHE A 44 -9.966 2.527 -2.919 1.00 1.00 H new ATOM 0 HZ PHE A 44 -9.155 3.382 -5.079 1.00 1.00 H new ATOM 504 N THR A 45 -5.900 5.440 2.295 1.00 1.00 N ATOM 505 CA THR A 45 -5.068 5.507 3.487 1.00 1.00 C ATOM 506 C THR A 45 -4.142 4.299 3.520 1.00 1.00 C ATOM 507 O THR A 45 -4.502 3.221 3.046 1.00 1.00 O ATOM 508 CB THR A 45 -5.929 5.541 4.752 1.00 1.00 C ATOM 509 OG1 THR A 45 -6.442 4.253 5.043 1.00 1.00 O ATOM 510 CG2 THR A 45 -7.103 6.491 4.659 1.00 1.00 C ATOM 0 H THR A 45 -6.856 5.126 2.460 1.00 1.00 H new ATOM 0 HA THR A 45 -4.478 6.423 3.454 1.00 1.00 H new ATOM 0 HB THR A 45 -5.264 5.892 5.541 1.00 1.00 H new ATOM 0 HG1 THR A 45 -6.988 4.294 5.856 1.00 1.00 H new ATOM 0 HG21 THR A 45 -7.668 6.463 5.591 1.00 1.00 H new ATOM 0 HG22 THR A 45 -6.739 7.504 4.486 1.00 1.00 H new ATOM 0 HG23 THR A 45 -7.749 6.192 3.834 1.00 1.00 H new ATOM 518 N MET A 46 -2.942 4.486 4.060 1.00 1.00 N ATOM 519 CA MET A 46 -1.956 3.413 4.130 1.00 1.00 C ATOM 520 C MET A 46 -2.585 2.081 4.536 1.00 1.00 C ATOM 521 O MET A 46 -2.109 1.019 4.138 1.00 1.00 O ATOM 522 CB MET A 46 -0.835 3.788 5.098 1.00 1.00 C ATOM 523 CG MET A 46 0.542 3.684 4.471 1.00 1.00 C ATOM 524 SD MET A 46 0.927 5.076 3.396 1.00 1.00 S ATOM 525 CE MET A 46 1.197 4.220 1.846 1.00 1.00 C ATOM 0 H MET A 46 -2.628 5.372 4.456 1.00 1.00 H new ATOM 0 HA MET A 46 -1.541 3.285 3.130 1.00 1.00 H new ATOM 0 HB2 MET A 46 -0.992 4.807 5.452 1.00 1.00 H new ATOM 0 HB3 MET A 46 -0.882 3.137 5.971 1.00 1.00 H new ATOM 0 HG2 MET A 46 1.292 3.622 5.260 1.00 1.00 H new ATOM 0 HG3 MET A 46 0.606 2.759 3.897 1.00 1.00 H new ATOM 0 HE1 MET A 46 0.873 4.853 1.020 1.00 1.00 H new ATOM 0 HE2 MET A 46 2.258 3.994 1.735 1.00 1.00 H new ATOM 0 HE3 MET A 46 0.625 3.292 1.839 1.00 1.00 H new ATOM 535 N LYS A 47 -3.658 2.138 5.317 1.00 1.00 N ATOM 536 CA LYS A 47 -4.340 0.925 5.753 1.00 1.00 C ATOM 537 C LYS A 47 -5.099 0.284 4.595 1.00 1.00 C ATOM 538 O LYS A 47 -4.988 -0.919 4.359 1.00 1.00 O ATOM 539 CB LYS A 47 -5.297 1.234 6.903 1.00 1.00 C ATOM 540 CG LYS A 47 -5.313 0.153 7.970 1.00 1.00 C ATOM 541 CD LYS A 47 -4.258 0.392 9.043 1.00 1.00 C ATOM 542 CE LYS A 47 -2.884 0.681 8.452 1.00 1.00 C ATOM 543 NZ LYS A 47 -2.281 -0.529 7.827 1.00 1.00 N ATOM 0 H LYS A 47 -4.072 3.005 5.659 1.00 1.00 H new ATOM 0 HA LYS A 47 -3.586 0.220 6.104 1.00 1.00 H new ATOM 0 HB2 LYS A 47 -5.014 2.183 7.359 1.00 1.00 H new ATOM 0 HB3 LYS A 47 -6.304 1.360 6.506 1.00 1.00 H new ATOM 0 HG2 LYS A 47 -6.299 0.116 8.433 1.00 1.00 H new ATOM 0 HG3 LYS A 47 -5.143 -0.818 7.505 1.00 1.00 H new ATOM 0 HD2 LYS A 47 -4.564 1.229 9.670 1.00 1.00 H new ATOM 0 HD3 LYS A 47 -4.196 -0.484 9.689 1.00 1.00 H new ATOM 0 HE2 LYS A 47 -2.969 1.471 7.706 1.00 1.00 H new ATOM 0 HE3 LYS A 47 -2.223 1.052 9.235 1.00 1.00 H new ATOM 0 HZ1 LYS A 47 -1.772 -0.256 6.962 1.00 1.00 H new ATOM 0 HZ2 LYS A 47 -1.617 -0.970 8.495 1.00 1.00 H new ATOM 0 HZ3 LYS A 47 -3.032 -1.207 7.587 1.00 1.00 H new ATOM 557 N GLU A 48 -5.864 1.095 3.868 1.00 1.00 N ATOM 558 CA GLU A 48 -6.629 0.598 2.729 1.00 1.00 C ATOM 559 C GLU A 48 -5.690 0.105 1.635 1.00 1.00 C ATOM 560 O GLU A 48 -5.861 -0.993 1.105 1.00 1.00 O ATOM 561 CB GLU A 48 -7.546 1.689 2.174 1.00 1.00 C ATOM 562 CG GLU A 48 -8.429 2.345 3.224 1.00 1.00 C ATOM 563 CD GLU A 48 -9.181 1.335 4.070 1.00 1.00 C ATOM 564 OE1 GLU A 48 -10.147 0.732 3.556 1.00 1.00 O ATOM 565 OE2 GLU A 48 -8.805 1.148 5.246 1.00 1.00 O ATOM 0 H GLU A 48 -5.970 2.094 4.046 1.00 1.00 H new ATOM 0 HA GLU A 48 -7.245 -0.234 3.071 1.00 1.00 H new ATOM 0 HB2 GLU A 48 -6.935 2.455 1.697 1.00 1.00 H new ATOM 0 HB3 GLU A 48 -8.179 1.258 1.399 1.00 1.00 H new ATOM 0 HG2 GLU A 48 -7.814 2.969 3.872 1.00 1.00 H new ATOM 0 HG3 GLU A 48 -9.144 3.004 2.731 1.00 1.00 H new ATOM 572 N VAL A 49 -4.689 0.918 1.310 1.00 1.00 N ATOM 573 CA VAL A 49 -3.714 0.558 0.286 1.00 1.00 C ATOM 574 C VAL A 49 -3.086 -0.793 0.602 1.00 1.00 C ATOM 575 O VAL A 49 -3.322 -1.779 -0.096 1.00 1.00 O ATOM 576 CB VAL A 49 -2.596 1.614 0.168 1.00 1.00 C ATOM 577 CG1 VAL A 49 -1.692 1.304 -1.016 1.00 1.00 C ATOM 578 CG2 VAL A 49 -3.185 3.011 0.045 1.00 1.00 C ATOM 0 H VAL A 49 -4.532 1.829 1.740 1.00 1.00 H new ATOM 0 HA VAL A 49 -4.248 0.508 -0.663 1.00 1.00 H new ATOM 0 HB VAL A 49 -1.995 1.579 1.076 1.00 1.00 H new ATOM 0 HG11 VAL A 49 -0.909 2.059 -1.084 1.00 1.00 H new ATOM 0 HG12 VAL A 49 -1.238 0.322 -0.880 1.00 1.00 H new ATOM 0 HG13 VAL A 49 -2.280 1.308 -1.934 1.00 1.00 H new ATOM 0 HG21 VAL A 49 -2.379 3.740 -0.037 1.00 1.00 H new ATOM 0 HG22 VAL A 49 -3.814 3.064 -0.844 1.00 1.00 H new ATOM 0 HG23 VAL A 49 -3.785 3.232 0.928 1.00 1.00 H new ATOM 588 N LEU A 50 -2.297 -0.830 1.670 1.00 1.00 N ATOM 589 CA LEU A 50 -1.639 -2.058 2.102 1.00 1.00 C ATOM 590 C LEU A 50 -2.628 -3.222 2.153 1.00 1.00 C ATOM 591 O LEU A 50 -2.252 -4.382 1.981 1.00 1.00 O ATOM 592 CB LEU A 50 -1.007 -1.845 3.481 1.00 1.00 C ATOM 593 CG LEU A 50 0.433 -2.336 3.619 1.00 1.00 C ATOM 594 CD1 LEU A 50 0.915 -2.176 5.052 1.00 1.00 C ATOM 595 CD2 LEU A 50 0.552 -3.784 3.174 1.00 1.00 C ATOM 0 H LEU A 50 -2.097 -0.019 2.255 1.00 1.00 H new ATOM 0 HA LEU A 50 -0.862 -2.307 1.379 1.00 1.00 H new ATOM 0 HB2 LEU A 50 -1.035 -0.781 3.716 1.00 1.00 H new ATOM 0 HB3 LEU A 50 -1.620 -2.352 4.226 1.00 1.00 H new ATOM 0 HG LEU A 50 1.066 -1.728 2.972 1.00 1.00 H new ATOM 0 HD11 LEU A 50 1.943 -2.531 5.132 1.00 1.00 H new ATOM 0 HD12 LEU A 50 0.871 -1.124 5.335 1.00 1.00 H new ATOM 0 HD13 LEU A 50 0.277 -2.758 5.717 1.00 1.00 H new ATOM 0 HD21 LEU A 50 1.586 -4.114 3.280 1.00 1.00 H new ATOM 0 HD22 LEU A 50 -0.093 -4.409 3.791 1.00 1.00 H new ATOM 0 HD23 LEU A 50 0.249 -3.870 2.130 1.00 1.00 H new ATOM 607 N TYR A 51 -3.895 -2.900 2.398 1.00 1.00 N ATOM 608 CA TYR A 51 -4.944 -3.913 2.483 1.00 1.00 C ATOM 609 C TYR A 51 -5.302 -4.473 1.107 1.00 1.00 C ATOM 610 O TYR A 51 -5.255 -5.686 0.894 1.00 1.00 O ATOM 611 CB TYR A 51 -6.192 -3.328 3.148 1.00 1.00 C ATOM 612 CG TYR A 51 -7.307 -4.333 3.332 1.00 1.00 C ATOM 613 CD1 TYR A 51 -7.280 -5.246 4.378 1.00 1.00 C ATOM 614 CD2 TYR A 51 -8.388 -4.367 2.459 1.00 1.00 C ATOM 615 CE1 TYR A 51 -8.297 -6.166 4.549 1.00 1.00 C ATOM 616 CE2 TYR A 51 -9.409 -5.284 2.624 1.00 1.00 C ATOM 617 CZ TYR A 51 -9.359 -6.180 3.670 1.00 1.00 C ATOM 618 OH TYR A 51 -10.374 -7.094 3.838 1.00 1.00 O ATOM 0 H TYR A 51 -4.221 -1.944 2.541 1.00 1.00 H new ATOM 0 HA TYR A 51 -4.560 -4.734 3.089 1.00 1.00 H new ATOM 0 HB2 TYR A 51 -5.918 -2.920 4.121 1.00 1.00 H new ATOM 0 HB3 TYR A 51 -6.559 -2.497 2.546 1.00 1.00 H new ATOM 0 HD1 TYR A 51 -6.450 -5.237 5.069 1.00 1.00 H new ATOM 0 HD2 TYR A 51 -8.431 -3.666 1.639 1.00 1.00 H new ATOM 0 HE1 TYR A 51 -8.260 -6.870 5.367 1.00 1.00 H new ATOM 0 HE2 TYR A 51 -10.242 -5.298 1.937 1.00 1.00 H new ATOM 0 HH TYR A 51 -11.046 -6.970 3.135 1.00 1.00 H new ATOM 628 N HIS A 52 -5.669 -3.595 0.174 1.00 1.00 N ATOM 629 CA HIS A 52 -6.042 -4.034 -1.170 1.00 1.00 C ATOM 630 C HIS A 52 -4.969 -4.939 -1.765 1.00 1.00 C ATOM 631 O HIS A 52 -5.279 -5.884 -2.489 1.00 1.00 O ATOM 632 CB HIS A 52 -6.288 -2.846 -2.105 1.00 1.00 C ATOM 633 CG HIS A 52 -6.991 -1.690 -1.464 1.00 1.00 C ATOM 634 ND1 HIS A 52 -8.199 -1.812 -0.810 1.00 1.00 N ATOM 635 CD2 HIS A 52 -6.661 -0.378 -1.399 1.00 1.00 C ATOM 636 CE1 HIS A 52 -8.583 -0.625 -0.373 1.00 1.00 C ATOM 637 NE2 HIS A 52 -7.666 0.260 -0.716 1.00 1.00 N ATOM 0 H HIS A 52 -5.716 -2.587 0.321 1.00 1.00 H new ATOM 0 HA HIS A 52 -6.971 -4.595 -1.075 1.00 1.00 H new ATOM 0 HB2 HIS A 52 -5.330 -2.502 -2.495 1.00 1.00 H new ATOM 0 HB3 HIS A 52 -6.876 -3.186 -2.958 1.00 1.00 H new ATOM 0 HD2 HIS A 52 -5.773 0.080 -1.808 1.00 1.00 H new ATOM 0 HE1 HIS A 52 -9.492 -0.415 0.172 1.00 1.00 H new ATOM 0 HE2 HIS A 52 -7.699 1.258 -0.507 1.00 1.00 H new ATOM 646 N LEU A 53 -3.704 -4.655 -1.455 1.00 1.00 N ATOM 647 CA LEU A 53 -2.602 -5.464 -1.965 1.00 1.00 C ATOM 648 C LEU A 53 -2.831 -6.933 -1.634 1.00 1.00 C ATOM 649 O LEU A 53 -2.808 -7.790 -2.517 1.00 1.00 O ATOM 650 CB LEU A 53 -1.263 -5.006 -1.378 1.00 1.00 C ATOM 651 CG LEU A 53 -0.587 -3.829 -2.092 1.00 1.00 C ATOM 652 CD1 LEU A 53 -0.680 -3.977 -3.604 1.00 1.00 C ATOM 653 CD2 LEU A 53 -1.201 -2.515 -1.642 1.00 1.00 C ATOM 0 H LEU A 53 -3.420 -3.878 -0.859 1.00 1.00 H new ATOM 0 HA LEU A 53 -2.566 -5.337 -3.047 1.00 1.00 H new ATOM 0 HB2 LEU A 53 -1.420 -4.731 -0.335 1.00 1.00 H new ATOM 0 HB3 LEU A 53 -0.577 -5.853 -1.385 1.00 1.00 H new ATOM 0 HG LEU A 53 0.469 -3.830 -1.822 1.00 1.00 H new ATOM 0 HD11 LEU A 53 -0.192 -3.128 -4.083 1.00 1.00 H new ATOM 0 HD12 LEU A 53 -0.187 -4.899 -3.910 1.00 1.00 H new ATOM 0 HD13 LEU A 53 -1.728 -4.010 -3.903 1.00 1.00 H new ATOM 0 HD21 LEU A 53 -0.711 -1.689 -2.157 1.00 1.00 H new ATOM 0 HD22 LEU A 53 -2.265 -2.510 -1.879 1.00 1.00 H new ATOM 0 HD23 LEU A 53 -1.069 -2.401 -0.566 1.00 1.00 H new ATOM 665 N GLY A 54 -3.069 -7.215 -0.355 1.00 1.00 N ATOM 666 CA GLY A 54 -3.318 -8.582 0.063 1.00 1.00 C ATOM 667 C GLY A 54 -4.401 -9.230 -0.774 1.00 1.00 C ATOM 668 O GLY A 54 -4.328 -10.416 -1.096 1.00 1.00 O ATOM 0 H GLY A 54 -3.094 -6.524 0.395 1.00 1.00 H new ATOM 0 HA2 GLY A 54 -2.398 -9.162 -0.018 1.00 1.00 H new ATOM 0 HA3 GLY A 54 -3.611 -8.595 1.113 1.00 1.00 H new ATOM 672 N GLN A 55 -5.402 -8.435 -1.140 1.00 1.00 N ATOM 673 CA GLN A 55 -6.503 -8.916 -1.963 1.00 1.00 C ATOM 674 C GLN A 55 -6.095 -8.942 -3.434 1.00 1.00 C ATOM 675 O GLN A 55 -6.617 -9.732 -4.221 1.00 1.00 O ATOM 676 CB GLN A 55 -7.734 -8.027 -1.777 1.00 1.00 C ATOM 677 CG GLN A 55 -8.245 -7.987 -0.346 1.00 1.00 C ATOM 678 CD GLN A 55 -9.753 -7.844 -0.269 1.00 1.00 C ATOM 679 OE1 GLN A 55 -10.344 -7.009 -0.953 1.00 1.00 O ATOM 680 NE2 GLN A 55 -10.383 -8.660 0.568 1.00 1.00 N ATOM 0 H GLN A 55 -5.472 -7.452 -0.878 1.00 1.00 H new ATOM 0 HA GLN A 55 -6.751 -9.930 -1.649 1.00 1.00 H new ATOM 0 HB2 GLN A 55 -7.491 -7.013 -2.096 1.00 1.00 H new ATOM 0 HB3 GLN A 55 -8.531 -8.384 -2.429 1.00 1.00 H new ATOM 0 HG2 GLN A 55 -7.943 -8.899 0.169 1.00 1.00 H new ATOM 0 HG3 GLN A 55 -7.777 -7.154 0.180 1.00 1.00 H new ATOM 0 HE21 GLN A 55 -9.853 -9.337 1.116 1.00 1.00 H new ATOM 0 HE22 GLN A 55 -11.397 -8.609 0.663 1.00 1.00 H new ATOM 689 N TYR A 56 -5.153 -8.072 -3.794 1.00 1.00 N ATOM 690 CA TYR A 56 -4.664 -7.989 -5.165 1.00 1.00 C ATOM 691 C TYR A 56 -3.802 -9.202 -5.508 1.00 1.00 C ATOM 692 O TYR A 56 -4.101 -9.947 -6.442 1.00 1.00 O ATOM 693 CB TYR A 56 -3.856 -6.700 -5.361 1.00 1.00 C ATOM 694 CG TYR A 56 -3.118 -6.640 -6.680 1.00 1.00 C ATOM 695 CD1 TYR A 56 -3.749 -6.187 -7.831 1.00 1.00 C ATOM 696 CD2 TYR A 56 -1.796 -7.056 -6.776 1.00 1.00 C ATOM 697 CE1 TYR A 56 -3.083 -6.148 -9.040 1.00 1.00 C ATOM 698 CE2 TYR A 56 -1.123 -7.017 -7.981 1.00 1.00 C ATOM 699 CZ TYR A 56 -1.770 -6.563 -9.109 1.00 1.00 C ATOM 700 OH TYR A 56 -1.103 -6.525 -10.311 1.00 1.00 O ATOM 0 H TYR A 56 -4.713 -7.413 -3.151 1.00 1.00 H new ATOM 0 HA TYR A 56 -5.524 -7.977 -5.834 1.00 1.00 H new ATOM 0 HB2 TYR A 56 -4.529 -5.846 -5.292 1.00 1.00 H new ATOM 0 HB3 TYR A 56 -3.137 -6.605 -4.548 1.00 1.00 H new ATOM 0 HD1 TYR A 56 -4.777 -5.860 -7.780 1.00 1.00 H new ATOM 0 HD2 TYR A 56 -1.287 -7.416 -5.894 1.00 1.00 H new ATOM 0 HE1 TYR A 56 -3.588 -5.794 -9.927 1.00 1.00 H new ATOM 0 HE2 TYR A 56 -0.094 -7.341 -8.039 1.00 1.00 H new ATOM 0 HH TYR A 56 -0.907 -7.439 -10.605 1.00 1.00 H new ATOM 710 N ILE A 57 -2.729 -9.390 -4.746 1.00 1.00 N ATOM 711 CA ILE A 57 -1.817 -10.508 -4.965 1.00 1.00 C ATOM 712 C ILE A 57 -2.563 -11.838 -4.966 1.00 1.00 C ATOM 713 O ILE A 57 -2.384 -12.659 -5.865 1.00 1.00 O ATOM 714 CB ILE A 57 -0.713 -10.547 -3.887 1.00 1.00 C ATOM 715 CG1 ILE A 57 0.024 -9.207 -3.830 1.00 1.00 C ATOM 716 CG2 ILE A 57 0.266 -11.682 -4.161 1.00 1.00 C ATOM 717 CD1 ILE A 57 1.132 -9.169 -2.800 1.00 1.00 C ATOM 0 H ILE A 57 -2.469 -8.781 -3.970 1.00 1.00 H new ATOM 0 HA ILE A 57 -1.357 -10.357 -5.942 1.00 1.00 H new ATOM 0 HB ILE A 57 -1.183 -10.726 -2.920 1.00 1.00 H new ATOM 0 HG12 ILE A 57 0.445 -8.991 -4.812 1.00 1.00 H new ATOM 0 HG13 ILE A 57 -0.693 -8.416 -3.609 1.00 1.00 H new ATOM 0 HG21 ILE A 57 1.036 -11.692 -3.390 1.00 1.00 H new ATOM 0 HG22 ILE A 57 -0.268 -12.632 -4.154 1.00 1.00 H new ATOM 0 HG23 ILE A 57 0.731 -11.534 -5.136 1.00 1.00 H new ATOM 0 HD11 ILE A 57 1.610 -8.190 -2.816 1.00 1.00 H new ATOM 0 HD12 ILE A 57 0.715 -9.353 -1.810 1.00 1.00 H new ATOM 0 HD13 ILE A 57 1.870 -9.937 -3.031 1.00 1.00 H new ATOM 729 N MET A 58 -3.398 -12.048 -3.953 1.00 1.00 N ATOM 730 CA MET A 58 -4.165 -13.283 -3.845 1.00 1.00 C ATOM 731 C MET A 58 -5.056 -13.482 -5.068 1.00 1.00 C ATOM 732 O MET A 58 -5.344 -14.613 -5.460 1.00 1.00 O ATOM 733 CB MET A 58 -5.010 -13.276 -2.569 1.00 1.00 C ATOM 734 CG MET A 58 -6.166 -12.290 -2.604 1.00 1.00 C ATOM 735 SD MET A 58 -7.286 -12.485 -1.203 1.00 1.00 S ATOM 736 CE MET A 58 -8.801 -11.816 -1.885 1.00 1.00 C ATOM 0 H MET A 58 -3.560 -11.381 -3.198 1.00 1.00 H new ATOM 0 HA MET A 58 -3.462 -14.115 -3.797 1.00 1.00 H new ATOM 0 HB2 MET A 58 -5.404 -14.278 -2.400 1.00 1.00 H new ATOM 0 HB3 MET A 58 -4.368 -13.039 -1.721 1.00 1.00 H new ATOM 0 HG2 MET A 58 -5.772 -11.274 -2.611 1.00 1.00 H new ATOM 0 HG3 MET A 58 -6.723 -12.422 -3.531 1.00 1.00 H new ATOM 0 HE1 MET A 58 -9.396 -11.375 -1.086 1.00 1.00 H new ATOM 0 HE2 MET A 58 -8.561 -11.051 -2.623 1.00 1.00 H new ATOM 0 HE3 MET A 58 -9.369 -12.615 -2.362 1.00 1.00 H new ATOM 746 N ALA A 59 -5.489 -12.377 -5.670 1.00 1.00 N ATOM 747 CA ALA A 59 -6.343 -12.440 -6.850 1.00 1.00 C ATOM 748 C ALA A 59 -5.563 -12.947 -8.058 1.00 1.00 C ATOM 749 O ALA A 59 -5.913 -13.967 -8.650 1.00 1.00 O ATOM 750 CB ALA A 59 -6.946 -11.073 -7.141 1.00 1.00 C ATOM 0 H ALA A 59 -5.263 -11.432 -5.361 1.00 1.00 H new ATOM 0 HA ALA A 59 -7.152 -13.142 -6.649 1.00 1.00 H new ATOM 0 HB1 ALA A 59 -7.581 -11.136 -8.025 1.00 1.00 H new ATOM 0 HB2 ALA A 59 -7.542 -10.749 -6.288 1.00 1.00 H new ATOM 0 HB3 ALA A 59 -6.147 -10.353 -7.319 1.00 1.00 H new ATOM 756 N LYS A 60 -4.499 -12.232 -8.414 1.00 1.00 N ATOM 757 CA LYS A 60 -3.666 -12.614 -9.544 1.00 1.00 C ATOM 758 C LYS A 60 -2.911 -13.906 -9.249 1.00 1.00 C ATOM 759 O LYS A 60 -2.596 -14.675 -10.157 1.00 1.00 O ATOM 760 CB LYS A 60 -2.677 -11.493 -9.855 1.00 1.00 C ATOM 761 CG LYS A 60 -3.181 -10.495 -10.883 1.00 1.00 C ATOM 762 CD LYS A 60 -4.555 -9.947 -10.529 1.00 1.00 C ATOM 763 CE LYS A 60 -4.447 -8.756 -9.598 1.00 1.00 C ATOM 764 NZ LYS A 60 -5.667 -7.903 -9.641 1.00 1.00 N ATOM 0 H LYS A 60 -4.196 -11.385 -7.934 1.00 1.00 H new ATOM 0 HA LYS A 60 -4.309 -12.783 -10.408 1.00 1.00 H new ATOM 0 HB2 LYS A 60 -2.443 -10.962 -8.932 1.00 1.00 H new ATOM 0 HB3 LYS A 60 -1.747 -11.932 -10.215 1.00 1.00 H new ATOM 0 HG2 LYS A 60 -2.473 -9.670 -10.963 1.00 1.00 H new ATOM 0 HG3 LYS A 60 -3.224 -10.974 -11.861 1.00 1.00 H new ATOM 0 HD2 LYS A 60 -5.078 -9.654 -11.439 1.00 1.00 H new ATOM 0 HD3 LYS A 60 -5.150 -10.728 -10.057 1.00 1.00 H new ATOM 0 HE2 LYS A 60 -4.285 -9.106 -8.579 1.00 1.00 H new ATOM 0 HE3 LYS A 60 -3.577 -8.159 -9.872 1.00 1.00 H new ATOM 0 HZ1 LYS A 60 -5.489 -7.017 -9.126 1.00 1.00 H new ATOM 0 HZ2 LYS A 60 -5.905 -7.687 -10.630 1.00 1.00 H new ATOM 0 HZ3 LYS A 60 -6.460 -8.409 -9.197 1.00 1.00 H new ATOM 778 N GLN A 61 -2.622 -14.137 -7.970 1.00 1.00 N ATOM 779 CA GLN A 61 -1.902 -15.334 -7.543 1.00 1.00 C ATOM 780 C GLN A 61 -0.417 -15.231 -7.881 1.00 1.00 C ATOM 781 O GLN A 61 0.117 -16.044 -8.636 1.00 1.00 O ATOM 782 CB GLN A 61 -2.504 -16.585 -8.190 1.00 1.00 C ATOM 783 CG GLN A 61 -2.360 -17.838 -7.341 1.00 1.00 C ATOM 784 CD GLN A 61 -3.516 -18.801 -7.525 1.00 1.00 C ATOM 785 OE1 GLN A 61 -3.316 -19.982 -7.811 1.00 1.00 O ATOM 786 NE2 GLN A 61 -4.736 -18.301 -7.363 1.00 1.00 N ATOM 0 H GLN A 61 -2.877 -13.508 -7.209 1.00 1.00 H new ATOM 0 HA GLN A 61 -2.002 -15.415 -6.461 1.00 1.00 H new ATOM 0 HB2 GLN A 61 -3.562 -16.409 -8.387 1.00 1.00 H new ATOM 0 HB3 GLN A 61 -2.024 -16.752 -9.154 1.00 1.00 H new ATOM 0 HG2 GLN A 61 -1.428 -18.341 -7.598 1.00 1.00 H new ATOM 0 HG3 GLN A 61 -2.291 -17.555 -6.291 1.00 1.00 H new ATOM 0 HE21 GLN A 61 -4.856 -17.316 -7.126 1.00 1.00 H new ATOM 0 HE22 GLN A 61 -5.553 -18.902 -7.475 1.00 1.00 H new ATOM 795 N LEU A 62 0.246 -14.228 -7.313 1.00 1.00 N ATOM 796 CA LEU A 62 1.672 -14.023 -7.549 1.00 1.00 C ATOM 797 C LEU A 62 2.516 -14.746 -6.500 1.00 1.00 C ATOM 798 O LEU A 62 3.741 -14.800 -6.610 1.00 1.00 O ATOM 799 CB LEU A 62 2.011 -12.530 -7.537 1.00 1.00 C ATOM 800 CG LEU A 62 0.949 -11.609 -8.140 1.00 1.00 C ATOM 801 CD1 LEU A 62 1.422 -10.165 -8.105 1.00 1.00 C ATOM 802 CD2 LEU A 62 0.627 -12.028 -9.566 1.00 1.00 C ATOM 0 H LEU A 62 -0.180 -13.545 -6.687 1.00 1.00 H new ATOM 0 HA LEU A 62 1.905 -14.437 -8.530 1.00 1.00 H new ATOM 0 HB2 LEU A 62 2.189 -12.224 -6.506 1.00 1.00 H new ATOM 0 HB3 LEU A 62 2.945 -12.383 -8.079 1.00 1.00 H new ATOM 0 HG LEU A 62 0.040 -11.692 -7.544 1.00 1.00 H new ATOM 0 HD11 LEU A 62 0.656 -9.521 -8.537 1.00 1.00 H new ATOM 0 HD12 LEU A 62 1.606 -9.867 -7.073 1.00 1.00 H new ATOM 0 HD13 LEU A 62 2.343 -10.070 -8.680 1.00 1.00 H new ATOM 0 HD21 LEU A 62 -0.130 -11.362 -9.979 1.00 1.00 H new ATOM 0 HD22 LEU A 62 1.530 -11.972 -10.174 1.00 1.00 H new ATOM 0 HD23 LEU A 62 0.250 -13.051 -9.568 1.00 1.00 H new ATOM 814 N TYR A 63 1.859 -15.295 -5.480 1.00 1.00 N ATOM 815 CA TYR A 63 2.560 -16.004 -4.415 1.00 1.00 C ATOM 816 C TYR A 63 2.928 -17.420 -4.847 1.00 1.00 C ATOM 817 O TYR A 63 2.262 -18.017 -5.693 1.00 1.00 O ATOM 818 CB TYR A 63 1.697 -16.050 -3.153 1.00 1.00 C ATOM 819 CG TYR A 63 0.365 -16.737 -3.354 1.00 1.00 C ATOM 820 CD1 TYR A 63 0.271 -18.123 -3.370 1.00 1.00 C ATOM 821 CD2 TYR A 63 -0.799 -15.998 -3.529 1.00 1.00 C ATOM 822 CE1 TYR A 63 -0.945 -18.754 -3.554 1.00 1.00 C ATOM 823 CE2 TYR A 63 -2.019 -16.622 -3.714 1.00 1.00 C ATOM 824 CZ TYR A 63 -2.086 -17.999 -3.725 1.00 1.00 C ATOM 825 OH TYR A 63 -3.298 -18.624 -3.908 1.00 1.00 O ATOM 0 H TYR A 63 0.845 -15.262 -5.370 1.00 1.00 H new ATOM 0 HA TYR A 63 3.481 -15.463 -4.199 1.00 1.00 H new ATOM 0 HB2 TYR A 63 2.247 -16.566 -2.366 1.00 1.00 H new ATOM 0 HB3 TYR A 63 1.522 -15.032 -2.805 1.00 1.00 H new ATOM 0 HD1 TYR A 63 1.163 -18.717 -3.236 1.00 1.00 H new ATOM 0 HD2 TYR A 63 -0.750 -14.919 -3.520 1.00 1.00 H new ATOM 0 HE1 TYR A 63 -1.001 -19.832 -3.564 1.00 1.00 H new ATOM 0 HE2 TYR A 63 -2.915 -16.034 -3.849 1.00 1.00 H new ATOM 0 HH TYR A 63 -4.001 -17.950 -4.012 1.00 1.00 H new ATOM 835 N ASP A 64 3.995 -17.949 -4.258 1.00 1.00 N ATOM 836 CA ASP A 64 4.461 -19.294 -4.577 1.00 1.00 C ATOM 837 C ASP A 64 3.656 -20.345 -3.819 1.00 1.00 C ATOM 838 O ASP A 64 3.248 -20.125 -2.679 1.00 1.00 O ATOM 839 CB ASP A 64 5.948 -19.431 -4.238 1.00 1.00 C ATOM 840 CG ASP A 64 6.548 -20.720 -4.767 1.00 1.00 C ATOM 841 OD1 ASP A 64 5.851 -21.439 -5.513 1.00 1.00 O ATOM 842 OD2 ASP A 64 7.717 -21.009 -4.435 1.00 1.00 O ATOM 0 H ASP A 64 4.555 -17.466 -3.555 1.00 1.00 H new ATOM 0 HA ASP A 64 4.320 -19.458 -5.645 1.00 1.00 H new ATOM 0 HB2 ASP A 64 6.492 -18.583 -4.654 1.00 1.00 H new ATOM 0 HB3 ASP A 64 6.076 -19.392 -3.156 1.00 1.00 H new ATOM 847 N GLU A 65 3.432 -21.489 -4.458 1.00 1.00 N ATOM 848 CA GLU A 65 2.678 -22.574 -3.840 1.00 1.00 C ATOM 849 C GLU A 65 3.358 -23.039 -2.557 1.00 1.00 C ATOM 850 O GLU A 65 2.733 -23.097 -1.498 1.00 1.00 O ATOM 851 CB GLU A 65 2.532 -23.746 -4.815 1.00 1.00 C ATOM 852 CG GLU A 65 1.097 -24.005 -5.244 1.00 1.00 C ATOM 853 CD GLU A 65 0.476 -25.183 -4.520 1.00 1.00 C ATOM 854 OE1 GLU A 65 0.990 -25.557 -3.445 1.00 1.00 O ATOM 855 OE2 GLU A 65 -0.524 -25.732 -5.028 1.00 1.00 O ATOM 0 H GLU A 65 3.761 -21.689 -5.402 1.00 1.00 H new ATOM 0 HA GLU A 65 1.685 -22.200 -3.590 1.00 1.00 H new ATOM 0 HB2 GLU A 65 3.137 -23.549 -5.700 1.00 1.00 H new ATOM 0 HB3 GLU A 65 2.932 -24.647 -4.350 1.00 1.00 H new ATOM 0 HG2 GLU A 65 0.499 -23.113 -5.058 1.00 1.00 H new ATOM 0 HG3 GLU A 65 1.070 -24.188 -6.318 1.00 1.00 H new ATOM 862 N LYS A 66 4.645 -23.361 -2.654 1.00 1.00 N ATOM 863 CA LYS A 66 5.408 -23.809 -1.495 1.00 1.00 C ATOM 864 C LYS A 66 5.315 -22.783 -0.372 1.00 1.00 C ATOM 865 O LYS A 66 4.699 -23.034 0.664 1.00 1.00 O ATOM 866 CB LYS A 66 6.872 -24.040 -1.876 1.00 1.00 C ATOM 867 CG LYS A 66 7.051 -24.999 -3.043 1.00 1.00 C ATOM 868 CD LYS A 66 7.317 -24.256 -4.345 1.00 1.00 C ATOM 869 CE LYS A 66 6.244 -24.543 -5.383 1.00 1.00 C ATOM 870 NZ LYS A 66 6.824 -24.743 -6.740 1.00 1.00 N ATOM 0 H LYS A 66 5.180 -23.320 -3.522 1.00 1.00 H new ATOM 0 HA LYS A 66 4.985 -24.751 -1.146 1.00 1.00 H new ATOM 0 HB2 LYS A 66 7.329 -23.083 -2.129 1.00 1.00 H new ATOM 0 HB3 LYS A 66 7.407 -24.430 -1.010 1.00 1.00 H new ATOM 0 HG2 LYS A 66 7.879 -25.676 -2.834 1.00 1.00 H new ATOM 0 HG3 LYS A 66 6.157 -25.613 -3.150 1.00 1.00 H new ATOM 0 HD2 LYS A 66 7.359 -23.184 -4.151 1.00 1.00 H new ATOM 0 HD3 LYS A 66 8.291 -24.547 -4.738 1.00 1.00 H new ATOM 0 HE2 LYS A 66 5.686 -25.433 -5.092 1.00 1.00 H new ATOM 0 HE3 LYS A 66 5.534 -23.716 -5.410 1.00 1.00 H new ATOM 0 HZ1 LYS A 66 6.060 -24.936 -7.419 1.00 1.00 H new ATOM 0 HZ2 LYS A 66 7.335 -23.885 -7.029 1.00 1.00 H new ATOM 0 HZ3 LYS A 66 7.482 -25.548 -6.721 1.00 1.00 H new ATOM 884 N GLN A 67 5.918 -21.619 -0.592 1.00 1.00 N ATOM 885 CA GLN A 67 5.890 -20.549 0.389 1.00 1.00 C ATOM 886 C GLN A 67 4.767 -19.569 0.067 1.00 1.00 C ATOM 887 O GLN A 67 4.716 -19.010 -1.029 1.00 1.00 O ATOM 888 CB GLN A 67 7.231 -19.818 0.407 1.00 1.00 C ATOM 889 CG GLN A 67 8.432 -20.745 0.482 1.00 1.00 C ATOM 890 CD GLN A 67 9.675 -20.143 -0.144 1.00 1.00 C ATOM 891 OE1 GLN A 67 9.932 -20.319 -1.334 1.00 1.00 O ATOM 892 NE2 GLN A 67 10.453 -19.426 0.659 1.00 1.00 N ATOM 0 H GLN A 67 6.432 -21.396 -1.444 1.00 1.00 H new ATOM 0 HA GLN A 67 5.709 -20.981 1.373 1.00 1.00 H new ATOM 0 HB2 GLN A 67 7.312 -19.205 -0.490 1.00 1.00 H new ATOM 0 HB3 GLN A 67 7.253 -19.140 1.260 1.00 1.00 H new ATOM 0 HG2 GLN A 67 8.636 -20.986 1.525 1.00 1.00 H new ATOM 0 HG3 GLN A 67 8.194 -21.682 -0.021 1.00 1.00 H new ATOM 0 HE21 GLN A 67 10.201 -19.306 1.640 1.00 1.00 H new ATOM 0 HE22 GLN A 67 11.303 -18.995 0.295 1.00 1.00 H new ATOM 901 N GLN A 68 3.867 -19.366 1.021 1.00 1.00 N ATOM 902 CA GLN A 68 2.746 -18.455 0.826 1.00 1.00 C ATOM 903 C GLN A 68 3.149 -17.013 1.117 1.00 1.00 C ATOM 904 O GLN A 68 2.492 -16.074 0.669 1.00 1.00 O ATOM 905 CB GLN A 68 1.569 -18.864 1.712 1.00 1.00 C ATOM 906 CG GLN A 68 0.614 -19.837 1.038 1.00 1.00 C ATOM 907 CD GLN A 68 1.013 -21.284 1.246 1.00 1.00 C ATOM 908 OE1 GLN A 68 1.290 -21.710 2.367 1.00 1.00 O ATOM 909 NE2 GLN A 68 1.044 -22.050 0.161 1.00 1.00 N ATOM 0 H GLN A 68 3.891 -19.818 1.935 1.00 1.00 H new ATOM 0 HA GLN A 68 2.442 -18.516 -0.219 1.00 1.00 H new ATOM 0 HB2 GLN A 68 1.952 -19.317 2.626 1.00 1.00 H new ATOM 0 HB3 GLN A 68 1.018 -17.971 2.006 1.00 1.00 H new ATOM 0 HG2 GLN A 68 -0.392 -19.682 1.428 1.00 1.00 H new ATOM 0 HG3 GLN A 68 0.578 -19.624 -0.030 1.00 1.00 H new ATOM 0 HE21 GLN A 68 0.807 -21.655 -0.749 1.00 1.00 H new ATOM 0 HE22 GLN A 68 1.305 -23.033 0.238 1.00 1.00 H new ATOM 918 N HIS A 69 4.235 -16.839 1.866 1.00 1.00 N ATOM 919 CA HIS A 69 4.720 -15.506 2.207 1.00 1.00 C ATOM 920 C HIS A 69 5.748 -15.016 1.186 1.00 1.00 C ATOM 921 O HIS A 69 6.447 -14.030 1.422 1.00 1.00 O ATOM 922 CB HIS A 69 5.325 -15.506 3.614 1.00 1.00 C ATOM 923 CG HIS A 69 6.647 -16.207 3.704 1.00 1.00 C ATOM 924 ND1 HIS A 69 6.774 -17.580 3.684 1.00 1.00 N ATOM 925 CD2 HIS A 69 7.905 -15.716 3.814 1.00 1.00 C ATOM 926 CE1 HIS A 69 8.052 -17.903 3.779 1.00 1.00 C ATOM 927 NE2 HIS A 69 8.758 -16.791 3.858 1.00 1.00 N ATOM 0 H HIS A 69 4.794 -17.602 2.247 1.00 1.00 H new ATOM 0 HA HIS A 69 3.872 -14.821 2.187 1.00 1.00 H new ATOM 0 HB2 HIS A 69 5.447 -14.475 3.947 1.00 1.00 H new ATOM 0 HB3 HIS A 69 4.625 -15.982 4.301 1.00 1.00 H new ATOM 0 HD2 HIS A 69 8.185 -14.674 3.859 1.00 1.00 H new ATOM 0 HE1 HIS A 69 8.451 -18.907 3.790 1.00 1.00 H new ATOM 0 HE2 HIS A 69 9.773 -16.739 3.939 1.00 1.00 H new ATOM 936 N ILE A 70 5.835 -15.708 0.052 1.00 1.00 N ATOM 937 CA ILE A 70 6.774 -15.338 -0.999 1.00 1.00 C ATOM 938 C ILE A 70 6.038 -14.900 -2.258 1.00 1.00 C ATOM 939 O ILE A 70 5.104 -15.564 -2.707 1.00 1.00 O ATOM 940 CB ILE A 70 7.718 -16.507 -1.347 1.00 1.00 C ATOM 941 CG1 ILE A 70 8.484 -16.960 -0.104 1.00 1.00 C ATOM 942 CG2 ILE A 70 8.685 -16.107 -2.455 1.00 1.00 C ATOM 943 CD1 ILE A 70 9.221 -15.842 0.601 1.00 1.00 C ATOM 0 H ILE A 70 5.266 -16.527 -0.160 1.00 1.00 H new ATOM 0 HA ILE A 70 7.366 -14.506 -0.619 1.00 1.00 H new ATOM 0 HB ILE A 70 7.115 -17.341 -1.706 1.00 1.00 H new ATOM 0 HG12 ILE A 70 7.785 -17.419 0.595 1.00 1.00 H new ATOM 0 HG13 ILE A 70 9.200 -17.730 -0.391 1.00 1.00 H new ATOM 0 HG21 ILE A 70 9.342 -16.946 -2.685 1.00 1.00 H new ATOM 0 HG22 ILE A 70 8.122 -15.831 -3.347 1.00 1.00 H new ATOM 0 HG23 ILE A 70 9.283 -15.257 -2.126 1.00 1.00 H new ATOM 0 HD11 ILE A 70 9.740 -16.241 1.472 1.00 1.00 H new ATOM 0 HD12 ILE A 70 9.946 -15.397 -0.081 1.00 1.00 H new ATOM 0 HD13 ILE A 70 8.509 -15.081 0.920 1.00 1.00 H new ATOM 955 N VAL A 71 6.469 -13.780 -2.823 1.00 1.00 N ATOM 956 CA VAL A 71 5.855 -13.248 -4.034 1.00 1.00 C ATOM 957 C VAL A 71 6.902 -12.987 -5.111 1.00 1.00 C ATOM 958 O VAL A 71 7.629 -11.995 -5.052 1.00 1.00 O ATOM 959 CB VAL A 71 5.092 -11.940 -3.753 1.00 1.00 C ATOM 960 CG1 VAL A 71 4.267 -11.533 -4.965 1.00 1.00 C ATOM 961 CG2 VAL A 71 4.211 -12.089 -2.520 1.00 1.00 C ATOM 0 H VAL A 71 7.242 -13.221 -2.462 1.00 1.00 H new ATOM 0 HA VAL A 71 5.151 -14.002 -4.386 1.00 1.00 H new ATOM 0 HB VAL A 71 5.818 -11.151 -3.557 1.00 1.00 H new ATOM 0 HG11 VAL A 71 3.735 -10.607 -4.748 1.00 1.00 H new ATOM 0 HG12 VAL A 71 4.926 -11.381 -5.820 1.00 1.00 H new ATOM 0 HG13 VAL A 71 3.548 -12.319 -5.196 1.00 1.00 H new ATOM 0 HG21 VAL A 71 3.680 -11.155 -2.337 1.00 1.00 H new ATOM 0 HG22 VAL A 71 3.490 -12.890 -2.682 1.00 1.00 H new ATOM 0 HG23 VAL A 71 4.831 -12.329 -1.656 1.00 1.00 H new ATOM 971 N HIS A 72 6.974 -13.876 -6.098 1.00 1.00 N ATOM 972 CA HIS A 72 7.936 -13.722 -7.184 1.00 1.00 C ATOM 973 C HIS A 72 7.246 -13.791 -8.544 1.00 1.00 C ATOM 974 O HIS A 72 6.969 -14.872 -9.063 1.00 1.00 O ATOM 975 CB HIS A 72 9.027 -14.794 -7.087 1.00 1.00 C ATOM 976 CG HIS A 72 8.535 -16.186 -7.347 1.00 1.00 C ATOM 977 ND1 HIS A 72 7.593 -16.813 -6.559 1.00 1.00 N ATOM 978 CD2 HIS A 72 8.858 -17.071 -8.320 1.00 1.00 C ATOM 979 CE1 HIS A 72 7.358 -18.023 -7.036 1.00 1.00 C ATOM 980 NE2 HIS A 72 8.112 -18.204 -8.104 1.00 1.00 N ATOM 0 H HIS A 72 6.383 -14.704 -6.168 1.00 1.00 H new ATOM 0 HA HIS A 72 8.398 -12.739 -7.088 1.00 1.00 H new ATOM 0 HB2 HIS A 72 9.818 -14.559 -7.800 1.00 1.00 H new ATOM 0 HB3 HIS A 72 9.473 -14.756 -6.093 1.00 1.00 H new ATOM 0 HD2 HIS A 72 9.570 -16.915 -9.117 1.00 1.00 H new ATOM 0 HE1 HIS A 72 6.666 -18.742 -6.622 1.00 1.00 H new ATOM 0 HE2 HIS A 72 8.137 -19.048 -8.676 1.00 1.00 H new ATOM 989 N CYS A 73 6.980 -12.623 -9.119 1.00 1.00 N ATOM 990 CA CYS A 73 6.334 -12.538 -10.422 1.00 1.00 C ATOM 991 C CYS A 73 7.103 -11.592 -11.337 1.00 1.00 C ATOM 992 O CYS A 73 7.011 -10.373 -11.198 1.00 1.00 O ATOM 993 CB CYS A 73 4.888 -12.061 -10.272 1.00 1.00 C ATOM 994 SG CYS A 73 3.731 -12.875 -11.397 1.00 1.00 S ATOM 0 H CYS A 73 7.203 -11.720 -8.701 1.00 1.00 H new ATOM 0 HA CYS A 73 6.331 -13.532 -10.868 1.00 1.00 H new ATOM 0 HB2 CYS A 73 4.563 -12.232 -9.246 1.00 1.00 H new ATOM 0 HB3 CYS A 73 4.851 -10.985 -10.443 1.00 1.00 H new ATOM 0 HG CYS A 73 3.127 -11.980 -12.121 1.00 1.00 H new ATOM 1000 N SER A 74 7.869 -12.153 -12.267 1.00 1.00 N ATOM 1001 CA SER A 74 8.653 -11.337 -13.186 1.00 1.00 C ATOM 1002 C SER A 74 7.756 -10.508 -14.078 1.00 1.00 C ATOM 1003 O SER A 74 7.956 -9.300 -14.204 1.00 1.00 O ATOM 1004 CB SER A 74 9.586 -12.208 -14.027 1.00 1.00 C ATOM 1005 OG SER A 74 9.898 -13.417 -13.356 1.00 1.00 O ATOM 0 H SER A 74 7.963 -13.159 -12.404 1.00 1.00 H new ATOM 0 HA SER A 74 9.262 -10.657 -12.590 1.00 1.00 H new ATOM 0 HB2 SER A 74 9.116 -12.431 -14.985 1.00 1.00 H new ATOM 0 HB3 SER A 74 10.504 -11.661 -14.242 1.00 1.00 H new ATOM 0 HG SER A 74 10.495 -13.957 -13.915 1.00 1.00 H new ATOM 1011 N ASN A 75 6.748 -11.128 -14.672 1.00 1.00 N ATOM 1012 CA ASN A 75 5.839 -10.370 -15.502 1.00 1.00 C ATOM 1013 C ASN A 75 4.546 -10.140 -14.745 1.00 1.00 C ATOM 1014 O ASN A 75 3.622 -10.952 -14.792 1.00 1.00 O ATOM 1015 CB ASN A 75 5.561 -11.112 -16.811 1.00 1.00 C ATOM 1016 CG ASN A 75 6.423 -10.611 -17.954 1.00 1.00 C ATOM 1017 OD1 ASN A 75 5.951 -10.456 -19.080 1.00 1.00 O ATOM 1018 ND2 ASN A 75 7.694 -10.356 -17.668 1.00 1.00 N ATOM 0 H ASN A 75 6.546 -12.125 -14.596 1.00 1.00 H new ATOM 0 HA ASN A 75 6.293 -9.410 -15.746 1.00 1.00 H new ATOM 0 HB2 ASN A 75 5.738 -12.178 -16.666 1.00 1.00 H new ATOM 0 HB3 ASN A 75 4.510 -10.997 -17.075 1.00 1.00 H new ATOM 0 HD21 ASN A 75 8.323 -10.017 -18.396 1.00 1.00 H new ATOM 0 HD22 ASN A 75 8.042 -10.499 -16.720 1.00 1.00 H new ATOM 1025 N ASP A 76 4.492 -9.012 -14.052 1.00 1.00 N ATOM 1026 CA ASP A 76 3.310 -8.646 -13.280 1.00 1.00 C ATOM 1027 C ASP A 76 3.311 -7.154 -12.948 1.00 1.00 C ATOM 1028 O ASP A 76 4.310 -6.627 -12.459 1.00 1.00 O ATOM 1029 CB ASP A 76 3.237 -9.473 -11.995 1.00 1.00 C ATOM 1030 CG ASP A 76 1.857 -10.058 -11.763 1.00 1.00 C ATOM 1031 OD1 ASP A 76 1.567 -11.135 -12.325 1.00 1.00 O ATOM 1032 OD2 ASP A 76 1.067 -9.439 -11.020 1.00 1.00 O ATOM 0 H ASP A 76 5.252 -8.333 -14.007 1.00 1.00 H new ATOM 0 HA ASP A 76 2.431 -8.859 -13.888 1.00 1.00 H new ATOM 0 HB2 ASP A 76 3.968 -10.280 -12.043 1.00 1.00 H new ATOM 0 HB3 ASP A 76 3.511 -8.846 -11.146 1.00 1.00 H new ATOM 1037 N PRO A 77 2.190 -6.448 -13.200 1.00 1.00 N ATOM 1038 CA PRO A 77 2.081 -5.020 -12.913 1.00 1.00 C ATOM 1039 C PRO A 77 2.682 -4.665 -11.555 1.00 1.00 C ATOM 1040 O PRO A 77 3.205 -3.568 -11.362 1.00 1.00 O ATOM 1041 CB PRO A 77 0.568 -4.748 -12.911 1.00 1.00 C ATOM 1042 CG PRO A 77 -0.107 -6.028 -13.301 1.00 1.00 C ATOM 1043 CD PRO A 77 0.953 -6.982 -13.778 1.00 1.00 C ATOM 0 HA PRO A 77 2.624 -4.422 -13.644 1.00 1.00 H new ATOM 0 HB2 PRO A 77 0.236 -4.422 -11.925 1.00 1.00 H new ATOM 0 HB3 PRO A 77 0.318 -3.951 -13.612 1.00 1.00 H new ATOM 0 HG2 PRO A 77 -0.646 -6.449 -12.452 1.00 1.00 H new ATOM 0 HG3 PRO A 77 -0.841 -5.849 -14.087 1.00 1.00 H new ATOM 0 HD2 PRO A 77 0.759 -7.999 -13.437 1.00 1.00 H new ATOM 0 HD3 PRO A 77 1.001 -7.014 -14.866 1.00 1.00 H new ATOM 1051 N LEU A 78 2.607 -5.609 -10.621 1.00 1.00 N ATOM 1052 CA LEU A 78 3.148 -5.409 -9.282 1.00 1.00 C ATOM 1053 C LEU A 78 4.672 -5.399 -9.316 1.00 1.00 C ATOM 1054 O LEU A 78 5.302 -4.375 -9.054 1.00 1.00 O ATOM 1055 CB LEU A 78 2.654 -6.508 -8.340 1.00 1.00 C ATOM 1056 CG LEU A 78 2.545 -6.102 -6.869 1.00 1.00 C ATOM 1057 CD1 LEU A 78 1.419 -5.099 -6.674 1.00 1.00 C ATOM 1058 CD2 LEU A 78 2.326 -7.328 -5.995 1.00 1.00 C ATOM 0 H LEU A 78 2.176 -6.522 -10.768 1.00 1.00 H new ATOM 0 HA LEU A 78 2.801 -4.444 -8.913 1.00 1.00 H new ATOM 0 HB2 LEU A 78 1.675 -6.845 -8.681 1.00 1.00 H new ATOM 0 HB3 LEU A 78 3.329 -7.361 -8.416 1.00 1.00 H new ATOM 0 HG LEU A 78 3.481 -5.629 -6.571 1.00 1.00 H new ATOM 0 HD11 LEU A 78 1.357 -4.822 -5.622 1.00 1.00 H new ATOM 0 HD12 LEU A 78 1.616 -4.210 -7.272 1.00 1.00 H new ATOM 0 HD13 LEU A 78 0.476 -5.546 -6.988 1.00 1.00 H new ATOM 0 HD21 LEU A 78 2.251 -7.022 -4.952 1.00 1.00 H new ATOM 0 HD22 LEU A 78 1.405 -7.828 -6.294 1.00 1.00 H new ATOM 0 HD23 LEU A 78 3.166 -8.013 -6.112 1.00 1.00 H new ATOM 1070 N GLY A 79 5.259 -6.545 -9.651 1.00 1.00 N ATOM 1071 CA GLY A 79 6.705 -6.641 -9.725 1.00 1.00 C ATOM 1072 C GLY A 79 7.292 -5.619 -10.677 1.00 1.00 C ATOM 1073 O GLY A 79 8.406 -5.136 -10.476 1.00 1.00 O ATOM 0 H GLY A 79 4.760 -7.407 -9.872 1.00 1.00 H new ATOM 0 HA2 GLY A 79 7.130 -6.497 -8.731 1.00 1.00 H new ATOM 0 HA3 GLY A 79 6.986 -7.643 -10.050 1.00 1.00 H new ATOM 1077 N GLU A 80 6.528 -5.284 -11.711 1.00 1.00 N ATOM 1078 CA GLU A 80 6.959 -4.304 -12.698 1.00 1.00 C ATOM 1079 C GLU A 80 6.927 -2.901 -12.097 1.00 1.00 C ATOM 1080 O GLU A 80 7.704 -2.028 -12.484 1.00 1.00 O ATOM 1081 CB GLU A 80 6.061 -4.383 -13.940 1.00 1.00 C ATOM 1082 CG GLU A 80 6.106 -3.147 -14.827 1.00 1.00 C ATOM 1083 CD GLU A 80 7.521 -2.694 -15.132 1.00 1.00 C ATOM 1084 OE1 GLU A 80 8.340 -3.542 -15.543 1.00 1.00 O ATOM 1085 OE2 GLU A 80 7.809 -1.491 -14.960 1.00 1.00 O ATOM 0 H GLU A 80 5.604 -5.679 -11.887 1.00 1.00 H new ATOM 0 HA GLU A 80 7.984 -4.525 -12.996 1.00 1.00 H new ATOM 0 HB2 GLU A 80 6.354 -5.251 -14.531 1.00 1.00 H new ATOM 0 HB3 GLU A 80 5.032 -4.549 -13.620 1.00 1.00 H new ATOM 0 HG2 GLU A 80 5.587 -3.357 -15.762 1.00 1.00 H new ATOM 0 HG3 GLU A 80 5.567 -2.335 -14.339 1.00 1.00 H new ATOM 1092 N LEU A 81 6.023 -2.696 -11.143 1.00 1.00 N ATOM 1093 CA LEU A 81 5.888 -1.405 -10.479 1.00 1.00 C ATOM 1094 C LEU A 81 7.018 -1.194 -9.477 1.00 1.00 C ATOM 1095 O LEU A 81 7.769 -0.223 -9.568 1.00 1.00 O ATOM 1096 CB LEU A 81 4.537 -1.316 -9.766 1.00 1.00 C ATOM 1097 CG LEU A 81 4.214 0.049 -9.155 1.00 1.00 C ATOM 1098 CD1 LEU A 81 4.363 1.152 -10.194 1.00 1.00 C ATOM 1099 CD2 LEU A 81 2.810 0.049 -8.568 1.00 1.00 C ATOM 0 H LEU A 81 5.373 -3.409 -10.813 1.00 1.00 H new ATOM 0 HA LEU A 81 5.944 -0.623 -11.237 1.00 1.00 H new ATOM 0 HB2 LEU A 81 3.751 -1.574 -10.476 1.00 1.00 H new ATOM 0 HB3 LEU A 81 4.511 -2.066 -8.975 1.00 1.00 H new ATOM 0 HG LEU A 81 4.923 0.243 -8.350 1.00 1.00 H new ATOM 0 HD11 LEU A 81 4.129 2.114 -9.739 1.00 1.00 H new ATOM 0 HD12 LEU A 81 5.388 1.166 -10.565 1.00 1.00 H new ATOM 0 HD13 LEU A 81 3.679 0.966 -11.022 1.00 1.00 H new ATOM 0 HD21 LEU A 81 2.596 1.027 -8.137 1.00 1.00 H new ATOM 0 HD22 LEU A 81 2.087 -0.168 -9.354 1.00 1.00 H new ATOM 0 HD23 LEU A 81 2.740 -0.713 -7.791 1.00 1.00 H new ATOM 1111 N PHE A 82 7.132 -2.112 -8.523 1.00 1.00 N ATOM 1112 CA PHE A 82 8.171 -2.031 -7.502 1.00 1.00 C ATOM 1113 C PHE A 82 9.559 -2.141 -8.125 1.00 1.00 C ATOM 1114 O PHE A 82 10.537 -1.627 -7.580 1.00 1.00 O ATOM 1115 CB PHE A 82 7.978 -3.135 -6.460 1.00 1.00 C ATOM 1116 CG PHE A 82 6.637 -3.097 -5.782 1.00 1.00 C ATOM 1117 CD1 PHE A 82 6.077 -1.891 -5.391 1.00 1.00 C ATOM 1118 CD2 PHE A 82 5.938 -4.267 -5.535 1.00 1.00 C ATOM 1119 CE1 PHE A 82 4.844 -1.854 -4.767 1.00 1.00 C ATOM 1120 CE2 PHE A 82 4.705 -4.236 -4.912 1.00 1.00 C ATOM 1121 CZ PHE A 82 4.158 -3.028 -4.527 1.00 1.00 C ATOM 0 H PHE A 82 6.517 -2.921 -8.435 1.00 1.00 H new ATOM 0 HA PHE A 82 8.089 -1.060 -7.013 1.00 1.00 H new ATOM 0 HB2 PHE A 82 8.104 -4.104 -6.943 1.00 1.00 H new ATOM 0 HB3 PHE A 82 8.760 -3.051 -5.705 1.00 1.00 H new ATOM 0 HD1 PHE A 82 6.610 -0.970 -5.576 1.00 1.00 H new ATOM 0 HD2 PHE A 82 6.362 -5.215 -5.833 1.00 1.00 H new ATOM 0 HE1 PHE A 82 4.418 -0.908 -4.468 1.00 1.00 H new ATOM 0 HE2 PHE A 82 4.170 -5.156 -4.726 1.00 1.00 H new ATOM 0 HZ PHE A 82 3.195 -3.001 -4.039 1.00 1.00 H new ATOM 1131 N GLY A 83 9.640 -2.814 -9.269 1.00 1.00 N ATOM 1132 CA GLY A 83 10.914 -2.977 -9.944 1.00 1.00 C ATOM 1133 C GLY A 83 11.707 -4.155 -9.412 1.00 1.00 C ATOM 1134 O GLY A 83 12.938 -4.124 -9.391 1.00 1.00 O ATOM 0 H GLY A 83 8.847 -3.249 -9.740 1.00 1.00 H new ATOM 0 HA2 GLY A 83 10.741 -3.112 -11.012 1.00 1.00 H new ATOM 0 HA3 GLY A 83 11.502 -2.066 -9.829 1.00 1.00 H new ATOM 1138 N VAL A 84 11.002 -5.196 -8.982 1.00 1.00 N ATOM 1139 CA VAL A 84 11.648 -6.388 -8.447 1.00 1.00 C ATOM 1140 C VAL A 84 11.090 -7.653 -9.093 1.00 1.00 C ATOM 1141 O VAL A 84 10.029 -7.626 -9.716 1.00 1.00 O ATOM 1142 CB VAL A 84 11.475 -6.486 -6.920 1.00 1.00 C ATOM 1143 CG1 VAL A 84 12.172 -5.324 -6.228 1.00 1.00 C ATOM 1144 CG2 VAL A 84 10.000 -6.530 -6.551 1.00 1.00 C ATOM 0 H VAL A 84 9.983 -5.238 -8.994 1.00 1.00 H new ATOM 0 HA VAL A 84 12.710 -6.302 -8.679 1.00 1.00 H new ATOM 0 HB VAL A 84 11.938 -7.412 -6.579 1.00 1.00 H new ATOM 0 HG11 VAL A 84 12.039 -5.410 -5.150 1.00 1.00 H new ATOM 0 HG12 VAL A 84 13.236 -5.344 -6.465 1.00 1.00 H new ATOM 0 HG13 VAL A 84 11.741 -4.384 -6.573 1.00 1.00 H new ATOM 0 HG21 VAL A 84 9.898 -6.599 -5.468 1.00 1.00 H new ATOM 0 HG22 VAL A 84 9.509 -5.623 -6.905 1.00 1.00 H new ATOM 0 HG23 VAL A 84 9.534 -7.399 -7.016 1.00 1.00 H new ATOM 1154 N GLN A 85 11.812 -8.758 -8.940 1.00 1.00 N ATOM 1155 CA GLN A 85 11.390 -10.032 -9.507 1.00 1.00 C ATOM 1156 C GLN A 85 10.836 -10.954 -8.423 1.00 1.00 C ATOM 1157 O GLN A 85 10.001 -11.816 -8.696 1.00 1.00 O ATOM 1158 CB GLN A 85 12.565 -10.704 -10.220 1.00 1.00 C ATOM 1159 CG GLN A 85 12.247 -12.094 -10.742 1.00 1.00 C ATOM 1160 CD GLN A 85 13.321 -12.631 -11.668 1.00 1.00 C ATOM 1161 OE1 GLN A 85 14.465 -12.177 -11.639 1.00 1.00 O ATOM 1162 NE2 GLN A 85 12.957 -13.602 -12.498 1.00 1.00 N ATOM 0 H GLN A 85 12.693 -8.796 -8.427 1.00 1.00 H new ATOM 0 HA GLN A 85 10.597 -9.840 -10.229 1.00 1.00 H new ATOM 0 HB2 GLN A 85 12.880 -10.076 -11.053 1.00 1.00 H new ATOM 0 HB3 GLN A 85 13.408 -10.768 -9.532 1.00 1.00 H new ATOM 0 HG2 GLN A 85 12.126 -12.775 -9.900 1.00 1.00 H new ATOM 0 HG3 GLN A 85 11.295 -12.070 -11.272 1.00 1.00 H new ATOM 0 HE21 GLN A 85 11.998 -13.948 -12.488 1.00 1.00 H new ATOM 0 HE22 GLN A 85 13.637 -14.001 -13.145 1.00 1.00 H new ATOM 1171 N GLU A 86 11.305 -10.767 -7.193 1.00 1.00 N ATOM 1172 CA GLU A 86 10.855 -11.582 -6.071 1.00 1.00 C ATOM 1173 C GLU A 86 11.142 -10.888 -4.744 1.00 1.00 C ATOM 1174 O GLU A 86 12.157 -10.207 -4.596 1.00 1.00 O ATOM 1175 CB GLU A 86 11.536 -12.952 -6.102 1.00 1.00 C ATOM 1176 CG GLU A 86 13.049 -12.884 -5.979 1.00 1.00 C ATOM 1177 CD GLU A 86 13.671 -14.234 -5.681 1.00 1.00 C ATOM 1178 OE1 GLU A 86 13.104 -15.258 -6.115 1.00 1.00 O ATOM 1179 OE2 GLU A 86 14.726 -14.266 -5.012 1.00 1.00 O ATOM 0 H GLU A 86 11.996 -10.058 -6.949 1.00 1.00 H new ATOM 0 HA GLU A 86 9.777 -11.718 -6.163 1.00 1.00 H new ATOM 0 HB2 GLU A 86 11.141 -13.563 -5.290 1.00 1.00 H new ATOM 0 HB3 GLU A 86 11.278 -13.455 -7.034 1.00 1.00 H new ATOM 0 HG2 GLU A 86 13.468 -12.492 -6.906 1.00 1.00 H new ATOM 0 HG3 GLU A 86 13.314 -12.183 -5.187 1.00 1.00 H new ATOM 1186 N PHE A 87 10.242 -11.064 -3.782 1.00 1.00 N ATOM 1187 CA PHE A 87 10.400 -10.453 -2.469 1.00 1.00 C ATOM 1188 C PHE A 87 9.518 -11.144 -1.434 1.00 1.00 C ATOM 1189 O PHE A 87 8.432 -11.629 -1.753 1.00 1.00 O ATOM 1190 CB PHE A 87 10.059 -8.962 -2.533 1.00 1.00 C ATOM 1191 CG PHE A 87 8.618 -8.689 -2.864 1.00 1.00 C ATOM 1192 CD1 PHE A 87 8.178 -8.716 -4.177 1.00 1.00 C ATOM 1193 CD2 PHE A 87 7.705 -8.404 -1.861 1.00 1.00 C ATOM 1194 CE1 PHE A 87 6.854 -8.465 -4.485 1.00 1.00 C ATOM 1195 CE2 PHE A 87 6.380 -8.152 -2.162 1.00 1.00 C ATOM 1196 CZ PHE A 87 5.954 -8.183 -3.475 1.00 1.00 C ATOM 0 H PHE A 87 9.396 -11.625 -3.888 1.00 1.00 H new ATOM 0 HA PHE A 87 11.441 -10.569 -2.166 1.00 1.00 H new ATOM 0 HB2 PHE A 87 10.297 -8.502 -1.574 1.00 1.00 H new ATOM 0 HB3 PHE A 87 10.692 -8.485 -3.281 1.00 1.00 H new ATOM 0 HD1 PHE A 87 8.878 -8.936 -4.970 1.00 1.00 H new ATOM 0 HD2 PHE A 87 8.033 -8.379 -0.832 1.00 1.00 H new ATOM 0 HE1 PHE A 87 6.524 -8.489 -5.513 1.00 1.00 H new ATOM 0 HE2 PHE A 87 5.679 -7.931 -1.371 1.00 1.00 H new ATOM 0 HZ PHE A 87 4.919 -7.987 -3.712 1.00 1.00 H new ATOM 1206 N SER A 88 9.990 -11.180 -0.193 1.00 1.00 N ATOM 1207 CA SER A 88 9.243 -11.806 0.891 1.00 1.00 C ATOM 1208 C SER A 88 8.488 -10.756 1.700 1.00 1.00 C ATOM 1209 O SER A 88 9.080 -9.795 2.191 1.00 1.00 O ATOM 1210 CB SER A 88 10.187 -12.590 1.804 1.00 1.00 C ATOM 1211 OG SER A 88 11.395 -11.880 2.019 1.00 1.00 O ATOM 0 H SER A 88 10.887 -10.783 0.087 1.00 1.00 H new ATOM 0 HA SER A 88 8.520 -12.495 0.454 1.00 1.00 H new ATOM 0 HB2 SER A 88 9.699 -12.781 2.760 1.00 1.00 H new ATOM 0 HB3 SER A 88 10.406 -13.560 1.359 1.00 1.00 H new ATOM 0 HG SER A 88 11.981 -12.401 2.607 1.00 1.00 H new ATOM 1217 N VAL A 89 7.178 -10.943 1.832 1.00 1.00 N ATOM 1218 CA VAL A 89 6.349 -10.004 2.579 1.00 1.00 C ATOM 1219 C VAL A 89 6.743 -9.953 4.054 1.00 1.00 C ATOM 1220 O VAL A 89 6.347 -9.038 4.776 1.00 1.00 O ATOM 1221 CB VAL A 89 4.849 -10.345 2.470 1.00 1.00 C ATOM 1222 CG1 VAL A 89 4.282 -9.818 1.163 1.00 1.00 C ATOM 1223 CG2 VAL A 89 4.615 -11.844 2.595 1.00 1.00 C ATOM 0 H VAL A 89 6.670 -11.733 1.433 1.00 1.00 H new ATOM 0 HA VAL A 89 6.521 -9.026 2.129 1.00 1.00 H new ATOM 0 HB VAL A 89 4.329 -9.859 3.296 1.00 1.00 H new ATOM 0 HG11 VAL A 89 3.222 -10.066 1.100 1.00 1.00 H new ATOM 0 HG12 VAL A 89 4.404 -8.736 1.124 1.00 1.00 H new ATOM 0 HG13 VAL A 89 4.812 -10.274 0.327 1.00 1.00 H new ATOM 0 HG21 VAL A 89 3.548 -12.054 2.514 1.00 1.00 H new ATOM 0 HG22 VAL A 89 5.148 -12.363 1.799 1.00 1.00 H new ATOM 0 HG23 VAL A 89 4.981 -12.190 3.562 1.00 1.00 H new ATOM 1233 N LYS A 90 7.525 -10.935 4.500 1.00 1.00 N ATOM 1234 CA LYS A 90 7.968 -10.987 5.891 1.00 1.00 C ATOM 1235 C LYS A 90 8.577 -9.654 6.320 1.00 1.00 C ATOM 1236 O LYS A 90 8.501 -9.273 7.488 1.00 1.00 O ATOM 1237 CB LYS A 90 8.988 -12.111 6.081 1.00 1.00 C ATOM 1238 CG LYS A 90 8.365 -13.436 6.489 1.00 1.00 C ATOM 1239 CD LYS A 90 9.412 -14.533 6.602 1.00 1.00 C ATOM 1240 CE LYS A 90 10.024 -14.577 7.992 1.00 1.00 C ATOM 1241 NZ LYS A 90 11.489 -14.843 7.946 1.00 1.00 N ATOM 0 H LYS A 90 7.864 -11.703 3.920 1.00 1.00 H new ATOM 0 HA LYS A 90 7.097 -11.185 6.516 1.00 1.00 H new ATOM 0 HB2 LYS A 90 9.540 -12.250 5.152 1.00 1.00 H new ATOM 0 HB3 LYS A 90 9.711 -11.810 6.840 1.00 1.00 H new ATOM 0 HG2 LYS A 90 7.854 -13.320 7.445 1.00 1.00 H new ATOM 0 HG3 LYS A 90 7.611 -13.725 5.757 1.00 1.00 H new ATOM 0 HD2 LYS A 90 8.957 -15.497 6.373 1.00 1.00 H new ATOM 0 HD3 LYS A 90 10.196 -14.367 5.863 1.00 1.00 H new ATOM 0 HE2 LYS A 90 9.843 -13.629 8.498 1.00 1.00 H new ATOM 0 HE3 LYS A 90 9.533 -15.352 8.581 1.00 1.00 H new ATOM 0 HZ1 LYS A 90 11.868 -14.865 8.914 1.00 1.00 H new ATOM 0 HZ2 LYS A 90 11.661 -15.760 7.486 1.00 1.00 H new ATOM 0 HZ3 LYS A 90 11.962 -14.090 7.406 1.00 1.00 H new ATOM 1255 N GLU A 91 9.176 -8.948 5.366 1.00 1.00 N ATOM 1256 CA GLU A 91 9.792 -7.656 5.642 1.00 1.00 C ATOM 1257 C GLU A 91 8.788 -6.526 5.438 1.00 1.00 C ATOM 1258 O GLU A 91 8.819 -5.829 4.424 1.00 1.00 O ATOM 1259 CB GLU A 91 11.009 -7.443 4.741 1.00 1.00 C ATOM 1260 CG GLU A 91 12.070 -8.522 4.885 1.00 1.00 C ATOM 1261 CD GLU A 91 13.133 -8.161 5.905 1.00 1.00 C ATOM 1262 OE1 GLU A 91 12.861 -8.292 7.117 1.00 1.00 O ATOM 1263 OE2 GLU A 91 14.237 -7.749 5.491 1.00 1.00 O ATOM 0 H GLU A 91 9.248 -9.250 4.394 1.00 1.00 H new ATOM 0 HA GLU A 91 10.117 -7.649 6.682 1.00 1.00 H new ATOM 0 HB2 GLU A 91 10.680 -7.406 3.703 1.00 1.00 H new ATOM 0 HB3 GLU A 91 11.454 -6.475 4.969 1.00 1.00 H new ATOM 0 HG2 GLU A 91 11.594 -9.458 5.177 1.00 1.00 H new ATOM 0 HG3 GLU A 91 12.543 -8.693 3.918 1.00 1.00 H new ATOM 1270 N HIS A 92 7.895 -6.356 6.407 1.00 1.00 N ATOM 1271 CA HIS A 92 6.874 -5.317 6.338 1.00 1.00 C ATOM 1272 C HIS A 92 7.500 -3.936 6.159 1.00 1.00 C ATOM 1273 O HIS A 92 6.897 -3.044 5.562 1.00 1.00 O ATOM 1274 CB HIS A 92 6.015 -5.339 7.603 1.00 1.00 C ATOM 1275 CG HIS A 92 5.051 -6.483 7.652 1.00 1.00 C ATOM 1276 ND1 HIS A 92 4.372 -6.848 8.795 1.00 1.00 N ATOM 1277 CD2 HIS A 92 4.652 -7.348 6.688 1.00 1.00 C ATOM 1278 CE1 HIS A 92 3.598 -7.886 8.534 1.00 1.00 C ATOM 1279 NE2 HIS A 92 3.749 -8.209 7.263 1.00 1.00 N ATOM 0 H HIS A 92 7.858 -6.926 7.252 1.00 1.00 H new ATOM 0 HA HIS A 92 6.246 -5.520 5.471 1.00 1.00 H new ATOM 0 HB2 HIS A 92 6.668 -5.387 8.475 1.00 1.00 H new ATOM 0 HB3 HIS A 92 5.460 -4.404 7.672 1.00 1.00 H new ATOM 0 HD2 HIS A 92 4.982 -7.358 5.660 1.00 1.00 H new ATOM 0 HE1 HIS A 92 2.952 -8.386 9.240 1.00 1.00 H new ATOM 0 HE2 HIS A 92 3.272 -8.974 6.785 1.00 1.00 H new ATOM 1288 N ARG A 93 8.710 -3.765 6.680 1.00 1.00 N ATOM 1289 CA ARG A 93 9.412 -2.490 6.578 1.00 1.00 C ATOM 1290 C ARG A 93 9.802 -2.192 5.133 1.00 1.00 C ATOM 1291 O ARG A 93 9.794 -1.039 4.704 1.00 1.00 O ATOM 1292 CB ARG A 93 10.661 -2.500 7.462 1.00 1.00 C ATOM 1293 CG ARG A 93 10.362 -2.306 8.939 1.00 1.00 C ATOM 1294 CD ARG A 93 11.502 -1.594 9.649 1.00 1.00 C ATOM 1295 NE ARG A 93 11.530 -1.895 11.079 1.00 1.00 N ATOM 1296 CZ ARG A 93 11.914 -3.065 11.583 1.00 1.00 C ATOM 1297 NH1 ARG A 93 12.303 -4.047 10.778 1.00 1.00 N ATOM 1298 NH2 ARG A 93 11.910 -3.255 12.895 1.00 1.00 N ATOM 0 H ARG A 93 9.225 -4.492 7.177 1.00 1.00 H new ATOM 0 HA ARG A 93 8.736 -1.706 6.920 1.00 1.00 H new ATOM 0 HB2 ARG A 93 11.184 -3.447 7.327 1.00 1.00 H new ATOM 0 HB3 ARG A 93 11.337 -1.712 7.130 1.00 1.00 H new ATOM 0 HG2 ARG A 93 9.444 -1.729 9.053 1.00 1.00 H new ATOM 0 HG3 ARG A 93 10.189 -3.275 9.407 1.00 1.00 H new ATOM 0 HD2 ARG A 93 12.450 -1.888 9.198 1.00 1.00 H new ATOM 0 HD3 ARG A 93 11.402 -0.518 9.507 1.00 1.00 H new ATOM 0 HE ARG A 93 11.238 -1.165 11.729 1.00 1.00 H new ATOM 0 HH11 ARG A 93 12.308 -3.906 9.768 1.00 1.00 H new ATOM 0 HH12 ARG A 93 12.596 -4.942 11.170 1.00 1.00 H new ATOM 0 HH21 ARG A 93 11.613 -2.504 13.518 1.00 1.00 H new ATOM 0 HH22 ARG A 93 12.204 -4.152 13.281 1.00 1.00 H new ATOM 1312 N ARG A 94 10.146 -3.238 4.389 1.00 1.00 N ATOM 1313 CA ARG A 94 10.543 -3.086 2.994 1.00 1.00 C ATOM 1314 C ARG A 94 9.357 -2.661 2.131 1.00 1.00 C ATOM 1315 O ARG A 94 9.450 -1.705 1.361 1.00 1.00 O ATOM 1316 CB ARG A 94 11.136 -4.394 2.465 1.00 1.00 C ATOM 1317 CG ARG A 94 12.646 -4.345 2.281 1.00 1.00 C ATOM 1318 CD ARG A 94 13.355 -5.329 3.199 1.00 1.00 C ATOM 1319 NE ARG A 94 14.541 -5.907 2.572 1.00 1.00 N ATOM 1320 CZ ARG A 94 15.693 -5.256 2.422 1.00 1.00 C ATOM 1321 NH1 ARG A 94 15.818 -4.006 2.851 1.00 1.00 N ATOM 1322 NH2 ARG A 94 16.723 -5.858 1.843 1.00 1.00 N ATOM 0 H ARG A 94 10.158 -4.200 4.729 1.00 1.00 H new ATOM 0 HA ARG A 94 11.302 -2.305 2.941 1.00 1.00 H new ATOM 0 HB2 ARG A 94 10.888 -5.201 3.154 1.00 1.00 H new ATOM 0 HB3 ARG A 94 10.669 -4.635 1.510 1.00 1.00 H new ATOM 0 HG2 ARG A 94 12.894 -4.571 1.244 1.00 1.00 H new ATOM 0 HG3 ARG A 94 13.005 -3.336 2.482 1.00 1.00 H new ATOM 0 HD2 ARG A 94 13.643 -4.822 4.120 1.00 1.00 H new ATOM 0 HD3 ARG A 94 12.666 -6.127 3.476 1.00 1.00 H new ATOM 0 HE ARG A 94 14.483 -6.866 2.229 1.00 1.00 H new ATOM 0 HH11 ARG A 94 15.029 -3.539 3.298 1.00 1.00 H new ATOM 0 HH12 ARG A 94 16.703 -3.513 2.733 1.00 1.00 H new ATOM 0 HH21 ARG A 94 16.632 -6.819 1.513 1.00 1.00 H new ATOM 0 HH22 ARG A 94 17.606 -5.360 1.728 1.00 1.00 H new ATOM 1336 N ILE A 95 8.245 -3.377 2.264 1.00 1.00 N ATOM 1337 CA ILE A 95 7.043 -3.073 1.494 1.00 1.00 C ATOM 1338 C ILE A 95 6.579 -1.640 1.740 1.00 1.00 C ATOM 1339 O ILE A 95 6.367 -0.876 0.799 1.00 1.00 O ATOM 1340 CB ILE A 95 5.897 -4.041 1.839 1.00 1.00 C ATOM 1341 CG1 ILE A 95 6.371 -5.490 1.700 1.00 1.00 C ATOM 1342 CG2 ILE A 95 4.694 -3.777 0.943 1.00 1.00 C ATOM 1343 CD1 ILE A 95 5.266 -6.509 1.863 1.00 1.00 C ATOM 0 H ILE A 95 8.151 -4.171 2.897 1.00 1.00 H new ATOM 0 HA ILE A 95 7.302 -3.190 0.442 1.00 1.00 H new ATOM 0 HB ILE A 95 5.594 -3.876 2.873 1.00 1.00 H new ATOM 0 HG12 ILE A 95 6.832 -5.620 0.721 1.00 1.00 H new ATOM 0 HG13 ILE A 95 7.144 -5.683 2.444 1.00 1.00 H new ATOM 0 HG21 ILE A 95 3.891 -4.469 1.198 1.00 1.00 H new ATOM 0 HG22 ILE A 95 4.350 -2.753 1.088 1.00 1.00 H new ATOM 0 HG23 ILE A 95 4.978 -3.920 -0.099 1.00 1.00 H new ATOM 0 HD11 ILE A 95 5.677 -7.512 1.752 1.00 1.00 H new ATOM 0 HD12 ILE A 95 4.820 -6.407 2.852 1.00 1.00 H new ATOM 0 HD13 ILE A 95 4.503 -6.343 1.102 1.00 1.00 H new ATOM 1355 N TYR A 96 6.423 -1.284 3.012 1.00 1.00 N ATOM 1356 CA TYR A 96 5.985 0.057 3.390 1.00 1.00 C ATOM 1357 C TYR A 96 6.792 1.125 2.655 1.00 1.00 C ATOM 1358 O TYR A 96 6.246 2.136 2.214 1.00 1.00 O ATOM 1359 CB TYR A 96 6.125 0.245 4.901 1.00 1.00 C ATOM 1360 CG TYR A 96 5.114 1.198 5.497 1.00 1.00 C ATOM 1361 CD1 TYR A 96 3.865 0.749 5.913 1.00 1.00 C ATOM 1362 CD2 TYR A 96 5.412 2.545 5.653 1.00 1.00 C ATOM 1363 CE1 TYR A 96 2.943 1.619 6.465 1.00 1.00 C ATOM 1364 CE2 TYR A 96 4.496 3.420 6.206 1.00 1.00 C ATOM 1365 CZ TYR A 96 3.264 2.952 6.611 1.00 1.00 C ATOM 1366 OH TYR A 96 2.351 3.820 7.164 1.00 1.00 O ATOM 0 H TYR A 96 6.594 -1.907 3.801 1.00 1.00 H new ATOM 0 HA TYR A 96 4.938 0.166 3.108 1.00 1.00 H new ATOM 0 HB2 TYR A 96 6.026 -0.725 5.388 1.00 1.00 H new ATOM 0 HB3 TYR A 96 7.128 0.611 5.120 1.00 1.00 H new ATOM 0 HD1 TYR A 96 3.612 -0.295 5.803 1.00 1.00 H new ATOM 0 HD2 TYR A 96 6.376 2.915 5.337 1.00 1.00 H new ATOM 0 HE1 TYR A 96 1.976 1.256 6.780 1.00 1.00 H new ATOM 0 HE2 TYR A 96 4.744 4.465 6.320 1.00 1.00 H new ATOM 0 HH TYR A 96 2.734 4.721 7.196 1.00 1.00 H new ATOM 1376 N ALA A 97 8.094 0.888 2.525 1.00 1.00 N ATOM 1377 CA ALA A 97 8.976 1.826 1.841 1.00 1.00 C ATOM 1378 C ALA A 97 8.803 1.731 0.329 1.00 1.00 C ATOM 1379 O ALA A 97 8.798 2.743 -0.371 1.00 1.00 O ATOM 1380 CB ALA A 97 10.424 1.566 2.227 1.00 1.00 C ATOM 0 H ALA A 97 8.561 0.055 2.884 1.00 1.00 H new ATOM 0 HA ALA A 97 8.707 2.836 2.150 1.00 1.00 H new ATOM 0 HB1 ALA A 97 11.071 2.274 1.709 1.00 1.00 H new ATOM 0 HB2 ALA A 97 10.541 1.688 3.304 1.00 1.00 H new ATOM 0 HB3 ALA A 97 10.699 0.550 1.945 1.00 1.00 H new ATOM 1386 N MET A 98 8.660 0.506 -0.168 1.00 1.00 N ATOM 1387 CA MET A 98 8.483 0.274 -1.598 1.00 1.00 C ATOM 1388 C MET A 98 7.262 1.023 -2.123 1.00 1.00 C ATOM 1389 O MET A 98 7.385 1.940 -2.935 1.00 1.00 O ATOM 1390 CB MET A 98 8.338 -1.223 -1.881 1.00 1.00 C ATOM 1391 CG MET A 98 9.605 -2.019 -1.612 1.00 1.00 C ATOM 1392 SD MET A 98 9.271 -3.755 -1.257 1.00 1.00 S ATOM 1393 CE MET A 98 8.132 -4.157 -2.580 1.00 1.00 C ATOM 0 H MET A 98 8.663 -0.342 0.399 1.00 1.00 H new ATOM 0 HA MET A 98 9.367 0.649 -2.113 1.00 1.00 H new ATOM 0 HB2 MET A 98 7.530 -1.623 -1.268 1.00 1.00 H new ATOM 0 HB3 MET A 98 8.047 -1.361 -2.922 1.00 1.00 H new ATOM 0 HG2 MET A 98 10.264 -1.949 -2.477 1.00 1.00 H new ATOM 0 HG3 MET A 98 10.136 -1.575 -0.770 1.00 1.00 H new ATOM 0 HE1 MET A 98 8.173 -5.227 -2.782 1.00 1.00 H new ATOM 0 HE2 MET A 98 7.120 -3.882 -2.285 1.00 1.00 H new ATOM 0 HE3 MET A 98 8.410 -3.607 -3.479 1.00 1.00 H new ATOM 1403 N ILE A 99 6.084 0.625 -1.652 1.00 1.00 N ATOM 1404 CA ILE A 99 4.837 1.258 -2.070 1.00 1.00 C ATOM 1405 C ILE A 99 4.878 2.765 -1.839 1.00 1.00 C ATOM 1406 O ILE A 99 4.265 3.533 -2.580 1.00 1.00 O ATOM 1407 CB ILE A 99 3.629 0.668 -1.316 1.00 1.00 C ATOM 1408 CG1 ILE A 99 3.904 0.632 0.191 1.00 1.00 C ATOM 1409 CG2 ILE A 99 3.310 -0.725 -1.837 1.00 1.00 C ATOM 1410 CD1 ILE A 99 3.139 1.679 0.970 1.00 1.00 C ATOM 0 H ILE A 99 5.967 -0.133 -0.980 1.00 1.00 H new ATOM 0 HA ILE A 99 4.725 1.061 -3.136 1.00 1.00 H new ATOM 0 HB ILE A 99 2.764 1.307 -1.490 1.00 1.00 H new ATOM 0 HG12 ILE A 99 3.647 -0.355 0.576 1.00 1.00 H new ATOM 0 HG13 ILE A 99 4.972 0.772 0.361 1.00 1.00 H new ATOM 0 HG21 ILE A 99 2.455 -1.129 -1.295 1.00 1.00 H new ATOM 0 HG22 ILE A 99 3.074 -0.671 -2.900 1.00 1.00 H new ATOM 0 HG23 ILE A 99 4.173 -1.375 -1.690 1.00 1.00 H new ATOM 0 HD11 ILE A 99 3.383 1.595 2.029 1.00 1.00 H new ATOM 0 HD12 ILE A 99 3.414 2.671 0.612 1.00 1.00 H new ATOM 0 HD13 ILE A 99 2.069 1.526 0.831 1.00 1.00 H new ATOM 1422 N SER A 100 5.606 3.182 -0.807 1.00 1.00 N ATOM 1423 CA SER A 100 5.727 4.598 -0.481 1.00 1.00 C ATOM 1424 C SER A 100 6.351 5.371 -1.638 1.00 1.00 C ATOM 1425 O SER A 100 5.809 6.382 -2.086 1.00 1.00 O ATOM 1426 CB SER A 100 6.569 4.781 0.783 1.00 1.00 C ATOM 1427 OG SER A 100 5.755 4.780 1.943 1.00 1.00 O ATOM 0 H SER A 100 6.120 2.560 -0.183 1.00 1.00 H new ATOM 0 HA SER A 100 4.726 4.991 -0.303 1.00 1.00 H new ATOM 0 HB2 SER A 100 7.306 3.981 0.852 1.00 1.00 H new ATOM 0 HB3 SER A 100 7.121 5.719 0.723 1.00 1.00 H new ATOM 0 HG SER A 100 5.722 3.876 2.319 1.00 1.00 H new ATOM 1433 N ARG A 101 7.491 4.887 -2.119 1.00 1.00 N ATOM 1434 CA ARG A 101 8.189 5.531 -3.226 1.00 1.00 C ATOM 1435 C ARG A 101 7.312 5.580 -4.475 1.00 1.00 C ATOM 1436 O ARG A 101 7.550 6.380 -5.380 1.00 1.00 O ATOM 1437 CB ARG A 101 9.489 4.788 -3.536 1.00 1.00 C ATOM 1438 CG ARG A 101 10.429 4.682 -2.346 1.00 1.00 C ATOM 1439 CD ARG A 101 11.540 3.674 -2.599 1.00 1.00 C ATOM 1440 NE ARG A 101 12.400 4.072 -3.712 1.00 1.00 N ATOM 1441 CZ ARG A 101 12.221 3.679 -4.973 1.00 1.00 C ATOM 1442 NH1 ARG A 101 11.214 2.876 -5.295 1.00 1.00 N ATOM 1443 NH2 ARG A 101 13.055 4.092 -5.918 1.00 1.00 N ATOM 0 H ARG A 101 7.951 4.051 -1.760 1.00 1.00 H new ATOM 0 HA ARG A 101 8.420 6.553 -2.927 1.00 1.00 H new ATOM 0 HB2 ARG A 101 9.249 3.785 -3.889 1.00 1.00 H new ATOM 0 HB3 ARG A 101 10.004 5.298 -4.350 1.00 1.00 H new ATOM 0 HG2 ARG A 101 10.864 5.659 -2.137 1.00 1.00 H new ATOM 0 HG3 ARG A 101 9.865 4.388 -1.461 1.00 1.00 H new ATOM 0 HD2 ARG A 101 12.142 3.565 -1.697 1.00 1.00 H new ATOM 0 HD3 ARG A 101 11.103 2.698 -2.810 1.00 1.00 H new ATOM 0 HE ARG A 101 13.187 4.689 -3.511 1.00 1.00 H new ATOM 0 HH11 ARG A 101 10.568 2.554 -4.574 1.00 1.00 H new ATOM 0 HH12 ARG A 101 11.086 2.581 -6.263 1.00 1.00 H new ATOM 0 HH21 ARG A 101 13.831 4.709 -5.679 1.00 1.00 H new ATOM 0 HH22 ARG A 101 12.920 3.793 -6.884 1.00 1.00 H new ATOM 1457 N ASN A 102 6.300 4.717 -4.523 1.00 1.00 N ATOM 1458 CA ASN A 102 5.395 4.662 -5.665 1.00 1.00 C ATOM 1459 C ASN A 102 4.136 5.485 -5.412 1.00 1.00 C ATOM 1460 O ASN A 102 3.039 5.100 -5.818 1.00 1.00 O ATOM 1461 CB ASN A 102 5.019 3.211 -5.968 1.00 1.00 C ATOM 1462 CG ASN A 102 6.192 2.412 -6.503 1.00 1.00 C ATOM 1463 OD1 ASN A 102 7.213 2.976 -6.896 1.00 1.00 O ATOM 1464 ND2 ASN A 102 6.052 1.092 -6.522 1.00 1.00 N ATOM 0 H ASN A 102 6.087 4.047 -3.784 1.00 1.00 H new ATOM 0 HA ASN A 102 5.911 5.088 -6.525 1.00 1.00 H new ATOM 0 HB2 ASN A 102 4.644 2.738 -5.060 1.00 1.00 H new ATOM 0 HB3 ASN A 102 4.208 3.193 -6.696 1.00 1.00 H new ATOM 0 HD21 ASN A 102 6.808 0.504 -6.872 1.00 1.00 H new ATOM 0 HD22 ASN A 102 5.188 0.666 -6.186 1.00 1.00 H new ATOM 1471 N LEU A 103 4.300 6.621 -4.742 1.00 1.00 N ATOM 1472 CA LEU A 103 3.175 7.500 -4.439 1.00 1.00 C ATOM 1473 C LEU A 103 3.338 8.846 -5.137 1.00 1.00 C ATOM 1474 O LEU A 103 4.174 9.661 -4.746 1.00 1.00 O ATOM 1475 CB LEU A 103 3.055 7.707 -2.928 1.00 1.00 C ATOM 1476 CG LEU A 103 2.888 6.426 -2.111 1.00 1.00 C ATOM 1477 CD1 LEU A 103 2.991 6.726 -0.623 1.00 1.00 C ATOM 1478 CD2 LEU A 103 1.559 5.759 -2.432 1.00 1.00 C ATOM 0 H LEU A 103 5.200 6.955 -4.398 1.00 1.00 H new ATOM 0 HA LEU A 103 2.265 7.026 -4.806 1.00 1.00 H new ATOM 0 HB2 LEU A 103 3.944 8.231 -2.577 1.00 1.00 H new ATOM 0 HB3 LEU A 103 2.203 8.358 -2.732 1.00 1.00 H new ATOM 0 HG LEU A 103 3.690 5.739 -2.379 1.00 1.00 H new ATOM 0 HD11 LEU A 103 2.870 5.803 -0.056 1.00 1.00 H new ATOM 0 HD12 LEU A 103 3.967 7.159 -0.406 1.00 1.00 H new ATOM 0 HD13 LEU A 103 2.210 7.431 -0.339 1.00 1.00 H new ATOM 0 HD21 LEU A 103 1.457 4.849 -1.841 1.00 1.00 H new ATOM 0 HD22 LEU A 103 0.743 6.440 -2.192 1.00 1.00 H new ATOM 0 HD23 LEU A 103 1.524 5.509 -3.492 1.00 1.00 H new ATOM 1490 N VAL A 104 2.538 9.072 -6.175 1.00 1.00 N ATOM 1491 CA VAL A 104 2.600 10.322 -6.931 1.00 1.00 C ATOM 1492 C VAL A 104 2.502 11.538 -6.007 1.00 1.00 C ATOM 1493 O VAL A 104 3.519 12.132 -5.647 1.00 1.00 O ATOM 1494 CB VAL A 104 1.496 10.404 -8.013 1.00 1.00 C ATOM 1495 CG1 VAL A 104 2.000 9.826 -9.326 1.00 1.00 C ATOM 1496 CG2 VAL A 104 0.226 9.689 -7.569 1.00 1.00 C ATOM 0 H VAL A 104 1.840 8.409 -6.512 1.00 1.00 H new ATOM 0 HA VAL A 104 3.569 10.331 -7.430 1.00 1.00 H new ATOM 0 HB VAL A 104 1.250 11.456 -8.161 1.00 1.00 H new ATOM 0 HG11 VAL A 104 1.213 9.890 -10.078 1.00 1.00 H new ATOM 0 HG12 VAL A 104 2.870 10.391 -9.662 1.00 1.00 H new ATOM 0 HG13 VAL A 104 2.279 8.782 -9.181 1.00 1.00 H new ATOM 0 HG21 VAL A 104 -0.528 9.766 -8.352 1.00 1.00 H new ATOM 0 HG22 VAL A 104 0.447 8.638 -7.380 1.00 1.00 H new ATOM 0 HG23 VAL A 104 -0.151 10.150 -6.656 1.00 1.00 H new