USER MOD reduce.3.24.130724 H: found=0, std=0, add=888, rem=0, adj=33 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 117 TYR OH : rot -67:sc= 0.515 USER MOD Set 1.2: A 119 CYS SG : rot 84:sc= -2.99! USER MOD Set 1.3: A 120 ASN :FLIP amide:sc= -1.51 F(o=-7.1!,f=-4) USER MOD Set 2.1: A 40 ASN : amide:sc= 0.17 X(o=-0.43,f=-0.83) USER MOD Set 2.2: A 51 THR OG1 : rot -89:sc= -0.602 USER MOD Set 3.1: A 35 HIS : no HD1:sc= -3.19 X(o=-3.2,f=-3.5!) USER MOD Set 3.2: A 124 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot -28:sc= 0.18 USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 19 GLN : amide:sc= 0.00756 K(o=0.0076,f=-1.3) USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 ASN :FLIP amide:sc= -0.52 F(o=-2.3,f=-0.52) USER MOD Single : A 32 GLN : amide:sc=-0.000531 K(o=-0.00053,f=-0.9) USER MOD Single : A 37 CYS SG : rot -122:sc= -0.401 USER MOD Single : A 41 CYS SG : rot 180:sc= -0.234 USER MOD Single : A 44 LYS NZ :NH3+ 164:sc= 0 (180deg=-0.291) USER MOD Single : A 46 LYS NZ :NH3+ 131:sc= 0.153 (180deg=-0.0195) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 GLN : amide:sc= -0.0011 K(o=-0.0011,f=-1.4!) USER MOD Single : A 56 ASN : amide:sc= -0.244 X(o=-0.24,f=-0.38) USER MOD Single : A 61 LYS NZ :NH3+ -124:sc= -1.53 (180deg=-2.94!) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 MET CE :methyl -114:sc= 0 (180deg=-0.652) USER MOD Single : A 68 THR OG1 : rot 54:sc= 0.269 USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 CYS SG : rot -170:sc= -2.79 USER MOD Single : A 81 GLN :FLIP amide:sc= -0.105 F(o=-0.71,f=-0.11) USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 100 SER OG : rot 35:sc= 0.286 USER MOD Single : A 111 MET CE :methyl -123:sc= -0.646 (180deg=-1.57) USER MOD Single : A 116 TYR OH : rot 180:sc= -0.205 USER MOD Single : A 122 GLN : amide:sc= 0 X(o=0,f=-0.18) USER MOD Single : A 123 THR OG1 : rot 180:sc= 0 USER MOD Single : A 127 SER OG : rot 44:sc= 0.314 USER MOD Single : A 128 ASN : amide:sc= -8.35! C(o=-8.4!,f=-21!) USER MOD Single : A 131 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 132 ASN : amide:sc= -8.13! C(o=-8.1!,f=-11!) USER MOD Single : A 133 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 117 N SER A 12 -0.479 13.120 -12.647 1.00 0.00 N ATOM 118 CA SER A 12 -0.577 11.841 -11.953 1.00 0.00 C ATOM 119 C SER A 12 0.347 11.810 -10.739 1.00 0.00 C ATOM 120 O SER A 12 1.065 12.773 -10.466 1.00 0.00 O ATOM 121 CB SER A 12 -0.229 10.693 -12.902 1.00 0.00 C ATOM 122 OG SER A 12 1.014 10.920 -13.543 1.00 0.00 O ATOM 0 HA SER A 12 -1.604 11.720 -11.610 1.00 0.00 H new ATOM 0 HB2 SER A 12 -0.189 9.757 -12.346 1.00 0.00 H new ATOM 0 HB3 SER A 12 -1.014 10.586 -13.651 1.00 0.00 H new ATOM 0 HG SER A 12 1.173 11.884 -13.615 1.00 0.00 H new ATOM 128 N PHE A 13 0.323 10.697 -10.013 1.00 0.00 N ATOM 129 CA PHE A 13 1.158 10.540 -8.828 1.00 0.00 C ATOM 130 C PHE A 13 1.888 9.200 -8.850 1.00 0.00 C ATOM 131 O PHE A 13 1.558 8.314 -9.639 1.00 0.00 O ATOM 132 CB PHE A 13 0.306 10.648 -7.561 1.00 0.00 C ATOM 133 CG PHE A 13 -0.463 11.934 -7.464 1.00 0.00 C ATOM 134 CD1 PHE A 13 -1.579 12.150 -8.256 1.00 0.00 C ATOM 135 CD2 PHE A 13 -0.071 12.927 -6.581 1.00 0.00 C ATOM 136 CE1 PHE A 13 -2.289 13.333 -8.170 1.00 0.00 C ATOM 137 CE2 PHE A 13 -0.777 14.112 -6.489 1.00 0.00 C ATOM 138 CZ PHE A 13 -1.888 14.315 -7.284 1.00 0.00 C ATOM 0 H PHE A 13 -0.265 9.891 -10.224 1.00 0.00 H new ATOM 0 HA PHE A 13 1.900 11.338 -8.829 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -0.393 9.813 -7.531 1.00 0.00 H new ATOM 0 HB3 PHE A 13 0.953 10.554 -6.689 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -1.898 11.385 -8.949 1.00 0.00 H new ATOM 0 HD2 PHE A 13 0.797 12.773 -5.957 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -3.156 13.490 -8.794 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -0.460 14.878 -5.797 1.00 0.00 H new ATOM 0 HZ PHE A 13 -2.442 15.239 -7.213 1.00 0.00 H new ATOM 148 N VAL A 14 2.881 9.059 -7.979 1.00 0.00 N ATOM 149 CA VAL A 14 3.659 7.828 -7.898 1.00 0.00 C ATOM 150 C VAL A 14 3.987 7.481 -6.450 1.00 0.00 C ATOM 151 O VAL A 14 3.782 8.289 -5.544 1.00 0.00 O ATOM 152 CB VAL A 14 4.970 7.939 -8.698 1.00 0.00 C ATOM 153 CG1 VAL A 14 4.678 8.150 -10.176 1.00 0.00 C ATOM 154 CG2 VAL A 14 5.835 9.064 -8.151 1.00 0.00 C ATOM 0 H VAL A 14 3.166 9.782 -7.319 1.00 0.00 H new ATOM 0 HA VAL A 14 3.046 7.036 -8.329 1.00 0.00 H new ATOM 0 HB VAL A 14 5.520 7.004 -8.591 1.00 0.00 H new ATOM 0 HG11 VAL A 14 5.617 8.226 -10.725 1.00 0.00 H new ATOM 0 HG12 VAL A 14 4.102 7.307 -10.557 1.00 0.00 H new ATOM 0 HG13 VAL A 14 4.106 9.069 -10.306 1.00 0.00 H new ATOM 0 HG21 VAL A 14 6.757 9.128 -8.729 1.00 0.00 H new ATOM 0 HG22 VAL A 14 5.294 10.008 -8.225 1.00 0.00 H new ATOM 0 HG23 VAL A 14 6.074 8.864 -7.106 1.00 0.00 H new ATOM 164 N LEU A 15 4.499 6.273 -6.239 1.00 0.00 N ATOM 165 CA LEU A 15 4.857 5.817 -4.901 1.00 0.00 C ATOM 166 C LEU A 15 6.331 6.082 -4.612 1.00 0.00 C ATOM 167 O LEU A 15 7.203 5.734 -5.408 1.00 0.00 O ATOM 168 CB LEU A 15 4.557 4.324 -4.752 1.00 0.00 C ATOM 169 CG LEU A 15 3.116 3.898 -5.032 1.00 0.00 C ATOM 170 CD1 LEU A 15 3.071 2.460 -5.525 1.00 0.00 C ATOM 171 CD2 LEU A 15 2.259 4.064 -3.785 1.00 0.00 C ATOM 0 H LEU A 15 4.675 5.592 -6.978 1.00 0.00 H new ATOM 0 HA LEU A 15 4.258 6.375 -4.181 1.00 0.00 H new ATOM 0 HB2 LEU A 15 5.215 3.773 -5.424 1.00 0.00 H new ATOM 0 HB3 LEU A 15 4.813 4.022 -3.737 1.00 0.00 H new ATOM 0 HG LEU A 15 2.712 4.541 -5.814 1.00 0.00 H new ATOM 0 HD11 LEU A 15 2.037 2.174 -5.719 1.00 0.00 H new ATOM 0 HD12 LEU A 15 3.651 2.372 -6.444 1.00 0.00 H new ATOM 0 HD13 LEU A 15 3.493 1.802 -4.766 1.00 0.00 H new ATOM 0 HD21 LEU A 15 1.236 3.756 -4.003 1.00 0.00 H new ATOM 0 HD22 LEU A 15 2.661 3.446 -2.982 1.00 0.00 H new ATOM 0 HD23 LEU A 15 2.265 5.109 -3.476 1.00 0.00 H new ATOM 183 N ASP A 16 6.602 6.699 -3.467 1.00 0.00 N ATOM 184 CA ASP A 16 7.971 7.008 -3.070 1.00 0.00 C ATOM 185 C ASP A 16 8.602 5.832 -2.331 1.00 0.00 C ATOM 186 O ASP A 16 9.431 6.018 -1.439 1.00 0.00 O ATOM 187 CB ASP A 16 7.999 8.257 -2.187 1.00 0.00 C ATOM 188 CG ASP A 16 9.323 8.991 -2.264 1.00 0.00 C ATOM 189 OD1 ASP A 16 10.007 8.873 -3.302 1.00 0.00 O ATOM 190 OD2 ASP A 16 9.676 9.683 -1.286 1.00 0.00 O ATOM 0 H ASP A 16 5.892 6.995 -2.797 1.00 0.00 H new ATOM 0 HA ASP A 16 8.551 7.198 -3.973 1.00 0.00 H new ATOM 0 HB2 ASP A 16 7.196 8.930 -2.489 1.00 0.00 H new ATOM 0 HB3 ASP A 16 7.805 7.972 -1.153 1.00 0.00 H new ATOM 195 N PHE A 17 8.202 4.622 -2.706 1.00 0.00 N ATOM 196 CA PHE A 17 8.726 3.415 -2.076 1.00 0.00 C ATOM 197 C PHE A 17 8.703 2.240 -3.050 1.00 0.00 C ATOM 198 O PHE A 17 7.753 2.072 -3.814 1.00 0.00 O ATOM 199 CB PHE A 17 7.914 3.072 -0.826 1.00 0.00 C ATOM 200 CG PHE A 17 6.446 2.902 -1.093 1.00 0.00 C ATOM 201 CD1 PHE A 17 5.968 1.756 -1.707 1.00 0.00 C ATOM 202 CD2 PHE A 17 5.544 3.890 -0.730 1.00 0.00 C ATOM 203 CE1 PHE A 17 4.617 1.597 -1.953 1.00 0.00 C ATOM 204 CE2 PHE A 17 4.192 3.736 -0.974 1.00 0.00 C ATOM 205 CZ PHE A 17 3.728 2.588 -1.587 1.00 0.00 C ATOM 0 H PHE A 17 7.517 4.451 -3.442 1.00 0.00 H new ATOM 0 HA PHE A 17 9.760 3.605 -1.787 1.00 0.00 H new ATOM 0 HB2 PHE A 17 8.305 2.153 -0.390 1.00 0.00 H new ATOM 0 HB3 PHE A 17 8.052 3.860 -0.086 1.00 0.00 H new ATOM 0 HD1 PHE A 17 6.659 0.978 -1.997 1.00 0.00 H new ATOM 0 HD2 PHE A 17 5.901 4.790 -0.251 1.00 0.00 H new ATOM 0 HE1 PHE A 17 4.257 0.698 -2.431 1.00 0.00 H new ATOM 0 HE2 PHE A 17 3.499 4.513 -0.686 1.00 0.00 H new ATOM 0 HZ PHE A 17 2.672 2.466 -1.779 1.00 0.00 H new ATOM 215 N SER A 18 9.756 1.430 -3.016 1.00 0.00 N ATOM 216 CA SER A 18 9.859 0.273 -3.897 1.00 0.00 C ATOM 217 C SER A 18 8.842 -0.797 -3.511 1.00 0.00 C ATOM 218 O SER A 18 8.463 -0.915 -2.347 1.00 0.00 O ATOM 219 CB SER A 18 11.273 -0.309 -3.846 1.00 0.00 C ATOM 220 OG SER A 18 12.174 0.471 -4.612 1.00 0.00 O ATOM 0 H SER A 18 10.550 1.554 -2.388 1.00 0.00 H new ATOM 0 HA SER A 18 9.645 0.602 -4.914 1.00 0.00 H new ATOM 0 HB2 SER A 18 11.614 -0.353 -2.812 1.00 0.00 H new ATOM 0 HB3 SER A 18 11.262 -1.332 -4.222 1.00 0.00 H new ATOM 0 HG SER A 18 13.071 0.079 -4.562 1.00 0.00 H new ATOM 226 N GLN A 19 8.406 -1.573 -4.498 1.00 0.00 N ATOM 227 CA GLN A 19 7.433 -2.633 -4.262 1.00 0.00 C ATOM 228 C GLN A 19 7.952 -3.629 -3.231 1.00 0.00 C ATOM 229 O GLN A 19 9.123 -4.010 -3.234 1.00 0.00 O ATOM 230 CB GLN A 19 7.108 -3.356 -5.570 1.00 0.00 C ATOM 231 CG GLN A 19 6.703 -2.422 -6.698 1.00 0.00 C ATOM 232 CD GLN A 19 5.236 -2.041 -6.642 1.00 0.00 C ATOM 233 OE1 GLN A 19 4.364 -2.832 -7.002 1.00 0.00 O ATOM 234 NE2 GLN A 19 4.957 -0.825 -6.189 1.00 0.00 N ATOM 0 H GLN A 19 8.711 -1.488 -5.468 1.00 0.00 H new ATOM 0 HA GLN A 19 6.523 -2.176 -3.872 1.00 0.00 H new ATOM 0 HB2 GLN A 19 7.978 -3.933 -5.882 1.00 0.00 H new ATOM 0 HB3 GLN A 19 6.302 -4.067 -5.391 1.00 0.00 H new ATOM 0 HG2 GLN A 19 7.311 -1.519 -6.653 1.00 0.00 H new ATOM 0 HG3 GLN A 19 6.914 -2.901 -7.654 1.00 0.00 H new ATOM 0 HE21 GLN A 19 5.712 -0.202 -5.901 1.00 0.00 H new ATOM 0 HE22 GLN A 19 3.988 -0.513 -6.129 1.00 0.00 H new ATOM 243 N PRO A 20 7.062 -4.063 -2.326 1.00 0.00 N ATOM 244 CA PRO A 20 7.407 -5.022 -1.273 1.00 0.00 C ATOM 245 C PRO A 20 7.675 -6.418 -1.824 1.00 0.00 C ATOM 246 O PRO A 20 8.650 -7.069 -1.447 1.00 0.00 O ATOM 247 CB PRO A 20 6.165 -5.029 -0.378 1.00 0.00 C ATOM 248 CG PRO A 20 5.050 -4.615 -1.276 1.00 0.00 C ATOM 249 CD PRO A 20 5.649 -3.653 -2.263 1.00 0.00 C ATOM 0 HA PRO A 20 8.323 -4.742 -0.752 1.00 0.00 H new ATOM 0 HB2 PRO A 20 5.987 -6.018 0.045 1.00 0.00 H new ATOM 0 HB3 PRO A 20 6.276 -4.340 0.459 1.00 0.00 H new ATOM 0 HG2 PRO A 20 4.618 -5.477 -1.784 1.00 0.00 H new ATOM 0 HG3 PRO A 20 4.247 -4.143 -0.709 1.00 0.00 H new ATOM 0 HD2 PRO A 20 5.166 -3.725 -3.238 1.00 0.00 H new ATOM 0 HD3 PRO A 20 5.545 -2.620 -1.931 1.00 0.00 H new ATOM 257 N SER A 21 6.804 -6.873 -2.719 1.00 0.00 N ATOM 258 CA SER A 21 6.945 -8.194 -3.320 1.00 0.00 C ATOM 259 C SER A 21 8.374 -8.421 -3.803 1.00 0.00 C ATOM 260 O SER A 21 8.902 -9.529 -3.715 1.00 0.00 O ATOM 261 CB SER A 21 5.969 -8.354 -4.487 1.00 0.00 C ATOM 262 OG SER A 21 6.005 -9.672 -5.005 1.00 0.00 O ATOM 0 H SER A 21 5.993 -6.346 -3.044 1.00 0.00 H new ATOM 0 HA SER A 21 6.714 -8.939 -2.558 1.00 0.00 H new ATOM 0 HB2 SER A 21 4.958 -8.118 -4.155 1.00 0.00 H new ATOM 0 HB3 SER A 21 6.220 -7.643 -5.275 1.00 0.00 H new ATOM 0 HG SER A 21 5.371 -9.749 -5.749 1.00 0.00 H new ATOM 268 N ALA A 22 8.994 -7.363 -4.315 1.00 0.00 N ATOM 269 CA ALA A 22 10.363 -7.445 -4.810 1.00 0.00 C ATOM 270 C ALA A 22 11.185 -8.435 -3.992 1.00 0.00 C ATOM 271 O ALA A 22 11.916 -9.257 -4.546 1.00 0.00 O ATOM 272 CB ALA A 22 11.015 -6.071 -4.790 1.00 0.00 C ATOM 0 H ALA A 22 8.570 -6.439 -4.398 1.00 0.00 H new ATOM 0 HA ALA A 22 10.330 -7.804 -5.839 1.00 0.00 H new ATOM 0 HB1 ALA A 22 12.037 -6.148 -5.162 1.00 0.00 H new ATOM 0 HB2 ALA A 22 10.448 -5.390 -5.424 1.00 0.00 H new ATOM 0 HB3 ALA A 22 11.028 -5.689 -3.769 1.00 0.00 H new ATOM 278 N ASP A 23 11.061 -8.351 -2.672 1.00 0.00 N ATOM 279 CA ASP A 23 11.792 -9.240 -1.777 1.00 0.00 C ATOM 280 C ASP A 23 10.893 -10.365 -1.274 1.00 0.00 C ATOM 281 O ASP A 23 10.095 -10.172 -0.357 1.00 0.00 O ATOM 282 CB ASP A 23 12.358 -8.454 -0.593 1.00 0.00 C ATOM 283 CG ASP A 23 13.173 -7.253 -1.032 1.00 0.00 C ATOM 284 OD1 ASP A 23 12.582 -6.314 -1.606 1.00 0.00 O ATOM 285 OD2 ASP A 23 14.400 -7.252 -0.802 1.00 0.00 O ATOM 0 H ASP A 23 10.461 -7.676 -2.198 1.00 0.00 H new ATOM 0 HA ASP A 23 12.616 -9.681 -2.337 1.00 0.00 H new ATOM 0 HB2 ASP A 23 11.538 -8.120 0.043 1.00 0.00 H new ATOM 0 HB3 ASP A 23 12.983 -9.112 0.011 1.00 0.00 H new ATOM 290 N TYR A 24 11.027 -11.539 -1.881 1.00 0.00 N ATOM 291 CA TYR A 24 10.224 -12.694 -1.497 1.00 0.00 C ATOM 292 C TYR A 24 10.437 -13.041 -0.027 1.00 0.00 C ATOM 293 O TYR A 24 9.480 -13.250 0.719 1.00 0.00 O ATOM 294 CB TYR A 24 10.573 -13.898 -2.373 1.00 0.00 C ATOM 295 CG TYR A 24 9.782 -15.142 -2.036 1.00 0.00 C ATOM 296 CD1 TYR A 24 8.399 -15.167 -2.172 1.00 0.00 C ATOM 297 CD2 TYR A 24 10.416 -16.291 -1.582 1.00 0.00 C ATOM 298 CE1 TYR A 24 7.672 -16.300 -1.865 1.00 0.00 C ATOM 299 CE2 TYR A 24 9.697 -17.429 -1.274 1.00 0.00 C ATOM 300 CZ TYR A 24 8.325 -17.429 -1.417 1.00 0.00 C ATOM 301 OH TYR A 24 7.605 -18.561 -1.110 1.00 0.00 O ATOM 0 H TYR A 24 11.684 -11.716 -2.641 1.00 0.00 H new ATOM 0 HA TYR A 24 9.174 -12.439 -1.643 1.00 0.00 H new ATOM 0 HB2 TYR A 24 10.399 -13.639 -3.417 1.00 0.00 H new ATOM 0 HB3 TYR A 24 11.636 -14.115 -2.271 1.00 0.00 H new ATOM 0 HD1 TYR A 24 7.884 -14.285 -2.524 1.00 0.00 H new ATOM 0 HD2 TYR A 24 11.490 -16.295 -1.468 1.00 0.00 H new ATOM 0 HE1 TYR A 24 6.598 -16.302 -1.975 1.00 0.00 H new ATOM 0 HE2 TYR A 24 10.206 -18.314 -0.923 1.00 0.00 H new ATOM 0 HH TYR A 24 8.216 -19.266 -0.810 1.00 0.00 H new ATOM 311 N LEU A 25 11.700 -13.100 0.383 1.00 0.00 N ATOM 312 CA LEU A 25 12.041 -13.421 1.764 1.00 0.00 C ATOM 313 C LEU A 25 11.598 -12.308 2.708 1.00 0.00 C ATOM 314 O LEU A 25 10.714 -12.503 3.543 1.00 0.00 O ATOM 315 CB LEU A 25 13.548 -13.648 1.898 1.00 0.00 C ATOM 316 CG LEU A 25 14.044 -15.062 1.592 1.00 0.00 C ATOM 317 CD1 LEU A 25 13.415 -16.066 2.546 1.00 0.00 C ATOM 318 CD2 LEU A 25 13.739 -15.433 0.148 1.00 0.00 C ATOM 0 H LEU A 25 12.504 -12.930 -0.221 1.00 0.00 H new ATOM 0 HA LEU A 25 11.515 -14.336 2.038 1.00 0.00 H new ATOM 0 HB2 LEU A 25 14.060 -12.953 1.233 1.00 0.00 H new ATOM 0 HB3 LEU A 25 13.845 -13.393 2.915 1.00 0.00 H new ATOM 0 HG LEU A 25 15.125 -15.086 1.732 1.00 0.00 H new ATOM 0 HD11 LEU A 25 13.779 -17.067 2.313 1.00 0.00 H new ATOM 0 HD12 LEU A 25 13.683 -15.811 3.571 1.00 0.00 H new ATOM 0 HD13 LEU A 25 12.331 -16.041 2.438 1.00 0.00 H new ATOM 0 HD21 LEU A 25 14.099 -16.442 -0.052 1.00 0.00 H new ATOM 0 HD22 LEU A 25 12.663 -15.392 -0.019 1.00 0.00 H new ATOM 0 HD23 LEU A 25 14.237 -14.731 -0.521 1.00 0.00 H new ATOM 330 N ASP A 26 12.215 -11.140 2.568 1.00 0.00 N ATOM 331 CA ASP A 26 11.882 -9.994 3.406 1.00 0.00 C ATOM 332 C ASP A 26 10.371 -9.791 3.474 1.00 0.00 C ATOM 333 O ASP A 26 9.851 -9.241 4.445 1.00 0.00 O ATOM 334 CB ASP A 26 12.555 -8.729 2.868 1.00 0.00 C ATOM 335 CG ASP A 26 12.130 -7.483 3.620 1.00 0.00 C ATOM 336 OD1 ASP A 26 10.920 -7.174 3.619 1.00 0.00 O ATOM 337 OD2 ASP A 26 13.007 -6.817 4.209 1.00 0.00 O ATOM 0 H ASP A 26 12.949 -10.962 1.882 1.00 0.00 H new ATOM 0 HA ASP A 26 12.250 -10.192 4.413 1.00 0.00 H new ATOM 0 HB2 ASP A 26 13.637 -8.840 2.936 1.00 0.00 H new ATOM 0 HB3 ASP A 26 12.312 -8.613 1.812 1.00 0.00 H new ATOM 342 N PHE A 27 9.672 -10.238 2.436 1.00 0.00 N ATOM 343 CA PHE A 27 8.221 -10.105 2.376 1.00 0.00 C ATOM 344 C PHE A 27 7.540 -11.216 3.169 1.00 0.00 C ATOM 345 O PHE A 27 6.815 -10.953 4.129 1.00 0.00 O ATOM 346 CB PHE A 27 7.744 -10.134 0.923 1.00 0.00 C ATOM 347 CG PHE A 27 6.254 -10.263 0.783 1.00 0.00 C ATOM 348 CD1 PHE A 27 5.637 -11.495 0.922 1.00 0.00 C ATOM 349 CD2 PHE A 27 5.472 -9.152 0.513 1.00 0.00 C ATOM 350 CE1 PHE A 27 4.266 -11.618 0.795 1.00 0.00 C ATOM 351 CE2 PHE A 27 4.100 -9.268 0.385 1.00 0.00 C ATOM 352 CZ PHE A 27 3.497 -10.503 0.525 1.00 0.00 C ATOM 0 H PHE A 27 10.087 -10.696 1.624 1.00 0.00 H new ATOM 0 HA PHE A 27 7.951 -9.147 2.820 1.00 0.00 H new ATOM 0 HB2 PHE A 27 8.070 -9.222 0.424 1.00 0.00 H new ATOM 0 HB3 PHE A 27 8.223 -10.967 0.409 1.00 0.00 H new ATOM 0 HD1 PHE A 27 6.234 -12.370 1.132 1.00 0.00 H new ATOM 0 HD2 PHE A 27 5.939 -8.185 0.401 1.00 0.00 H new ATOM 0 HE1 PHE A 27 3.797 -12.584 0.907 1.00 0.00 H new ATOM 0 HE2 PHE A 27 3.501 -8.394 0.176 1.00 0.00 H new ATOM 0 HZ PHE A 27 2.426 -10.596 0.423 1.00 0.00 H new ATOM 362 N ARG A 28 7.777 -12.458 2.760 1.00 0.00 N ATOM 363 CA ARG A 28 7.185 -13.609 3.430 1.00 0.00 C ATOM 364 C ARG A 28 7.348 -13.500 4.944 1.00 0.00 C ATOM 365 O ARG A 28 6.492 -13.951 5.704 1.00 0.00 O ATOM 366 CB ARG A 28 7.829 -14.904 2.930 1.00 0.00 C ATOM 367 CG ARG A 28 9.153 -15.226 3.602 1.00 0.00 C ATOM 368 CD ARG A 28 9.582 -16.659 3.330 1.00 0.00 C ATOM 369 NE ARG A 28 10.628 -17.101 4.249 1.00 0.00 N ATOM 370 CZ ARG A 28 10.395 -17.488 5.497 1.00 0.00 C ATOM 371 NH1 ARG A 28 9.157 -17.489 5.974 1.00 0.00 N ATOM 372 NH2 ARG A 28 11.399 -17.876 6.272 1.00 0.00 N ATOM 0 H ARG A 28 8.375 -12.693 1.968 1.00 0.00 H new ATOM 0 HA ARG A 28 6.121 -13.626 3.196 1.00 0.00 H new ATOM 0 HB2 ARG A 28 7.138 -15.730 3.095 1.00 0.00 H new ATOM 0 HB3 ARG A 28 7.986 -14.829 1.854 1.00 0.00 H new ATOM 0 HG2 ARG A 28 9.921 -14.541 3.243 1.00 0.00 H new ATOM 0 HG3 ARG A 28 9.064 -15.070 4.677 1.00 0.00 H new ATOM 0 HD2 ARG A 28 8.719 -17.319 3.419 1.00 0.00 H new ATOM 0 HD3 ARG A 28 9.942 -16.741 2.304 1.00 0.00 H new ATOM 0 HE ARG A 28 11.591 -17.113 3.913 1.00 0.00 H new ATOM 0 HH11 ARG A 28 8.382 -17.192 5.381 1.00 0.00 H new ATOM 0 HH12 ARG A 28 8.980 -17.787 6.933 1.00 0.00 H new ATOM 0 HH21 ARG A 28 12.352 -17.877 5.909 1.00 0.00 H new ATOM 0 HH22 ARG A 28 11.218 -18.173 7.231 1.00 0.00 H new ATOM 386 N ASN A 29 8.453 -12.900 5.373 1.00 0.00 N ATOM 387 CA ASN A 29 8.728 -12.732 6.796 1.00 0.00 C ATOM 388 C ASN A 29 7.649 -11.885 7.463 1.00 0.00 C ATOM 389 O ASN A 29 7.266 -12.136 8.605 1.00 0.00 O ATOM 390 CB ASN A 29 10.099 -12.084 6.998 1.00 0.00 C ATOM 391 CG ASN A 29 11.240 -13.040 6.705 1.00 0.00 C ATOM 392 OD1 ASN A 29 12.066 -12.692 5.726 1.00 0.00 O flip ATOM 393 ND2 ASN A 29 11.375 -14.079 7.352 1.00 0.00 N flip ATOM 0 H ASN A 29 9.172 -12.522 4.757 1.00 0.00 H new ATOM 0 HA ASN A 29 8.728 -13.718 7.260 1.00 0.00 H new ATOM 0 HB2 ASN A 29 10.184 -11.212 6.350 1.00 0.00 H new ATOM 0 HB3 ASN A 29 10.182 -11.728 8.025 1.00 0.00 H new ATOM 0 HD21 ASN A 29 10.715 -14.306 8.096 1.00 0.00 H new ATOM 0 HD22 ASN A 29 12.147 -14.713 7.144 1.00 0.00 H new ATOM 400 N ARG A 30 7.163 -10.881 6.741 1.00 0.00 N ATOM 401 CA ARG A 30 6.128 -9.996 7.262 1.00 0.00 C ATOM 402 C ARG A 30 4.768 -10.686 7.256 1.00 0.00 C ATOM 403 O ARG A 30 3.942 -10.464 8.142 1.00 0.00 O ATOM 404 CB ARG A 30 6.063 -8.710 6.437 1.00 0.00 C ATOM 405 CG ARG A 30 7.429 -8.155 6.065 1.00 0.00 C ATOM 406 CD ARG A 30 8.169 -7.633 7.286 1.00 0.00 C ATOM 407 NE ARG A 30 8.809 -8.708 8.040 1.00 0.00 N ATOM 408 CZ ARG A 30 9.798 -8.512 8.904 1.00 0.00 C ATOM 409 NH1 ARG A 30 10.259 -7.288 9.123 1.00 0.00 N ATOM 410 NH2 ARG A 30 10.329 -9.541 9.551 1.00 0.00 N ATOM 0 H ARG A 30 7.469 -10.660 5.794 1.00 0.00 H new ATOM 0 HA ARG A 30 6.385 -9.746 8.292 1.00 0.00 H new ATOM 0 HB2 ARG A 30 5.497 -8.902 5.525 1.00 0.00 H new ATOM 0 HB3 ARG A 30 5.514 -7.955 7.000 1.00 0.00 H new ATOM 0 HG2 ARG A 30 8.021 -8.934 5.585 1.00 0.00 H new ATOM 0 HG3 ARG A 30 7.311 -7.351 5.338 1.00 0.00 H new ATOM 0 HD2 ARG A 30 8.924 -6.912 6.972 1.00 0.00 H new ATOM 0 HD3 ARG A 30 7.471 -7.102 7.933 1.00 0.00 H new ATOM 0 HE ARG A 30 8.478 -9.662 7.895 1.00 0.00 H new ATOM 0 HH11 ARG A 30 9.854 -6.494 8.627 1.00 0.00 H new ATOM 0 HH12 ARG A 30 11.019 -7.140 9.787 1.00 0.00 H new ATOM 0 HH21 ARG A 30 9.978 -10.484 9.385 1.00 0.00 H new ATOM 0 HH22 ARG A 30 11.089 -9.389 10.214 1.00 0.00 H new ATOM 424 N LEU A 31 4.541 -11.524 6.250 1.00 0.00 N ATOM 425 CA LEU A 31 3.280 -12.248 6.127 1.00 0.00 C ATOM 426 C LEU A 31 3.221 -13.411 7.112 1.00 0.00 C ATOM 427 O LEU A 31 2.169 -14.019 7.306 1.00 0.00 O ATOM 428 CB LEU A 31 3.104 -12.766 4.698 1.00 0.00 C ATOM 429 CG LEU A 31 1.747 -13.392 4.374 1.00 0.00 C ATOM 430 CD1 LEU A 31 0.763 -12.326 3.915 1.00 0.00 C ATOM 431 CD2 LEU A 31 1.898 -14.472 3.313 1.00 0.00 C ATOM 0 H LEU A 31 5.213 -11.719 5.508 1.00 0.00 H new ATOM 0 HA LEU A 31 2.469 -11.558 6.360 1.00 0.00 H new ATOM 0 HB2 LEU A 31 3.274 -11.938 4.009 1.00 0.00 H new ATOM 0 HB3 LEU A 31 3.879 -13.507 4.503 1.00 0.00 H new ATOM 0 HG LEU A 31 1.355 -13.853 5.281 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -0.197 -12.790 3.689 1.00 0.00 H new ATOM 0 HD12 LEU A 31 0.632 -11.587 4.706 1.00 0.00 H new ATOM 0 HD13 LEU A 31 1.148 -11.836 3.021 1.00 0.00 H new ATOM 0 HD21 LEU A 31 0.922 -14.907 3.095 1.00 0.00 H new ATOM 0 HD22 LEU A 31 2.312 -14.034 2.405 1.00 0.00 H new ATOM 0 HD23 LEU A 31 2.568 -15.250 3.679 1.00 0.00 H new ATOM 443 N GLN A 32 4.357 -13.712 7.733 1.00 0.00 N ATOM 444 CA GLN A 32 4.433 -14.800 8.700 1.00 0.00 C ATOM 445 C GLN A 32 4.506 -14.260 10.125 1.00 0.00 C ATOM 446 O GLN A 32 4.100 -14.929 11.074 1.00 0.00 O ATOM 447 CB GLN A 32 5.650 -15.681 8.413 1.00 0.00 C ATOM 448 CG GLN A 32 5.941 -16.693 9.510 1.00 0.00 C ATOM 449 CD GLN A 32 6.960 -17.734 9.088 1.00 0.00 C ATOM 450 OE1 GLN A 32 6.917 -18.243 7.968 1.00 0.00 O ATOM 451 NE2 GLN A 32 7.884 -18.055 9.986 1.00 0.00 N ATOM 0 H GLN A 32 5.237 -13.218 7.584 1.00 0.00 H new ATOM 0 HA GLN A 32 3.528 -15.400 8.605 1.00 0.00 H new ATOM 0 HB2 GLN A 32 5.491 -16.211 7.474 1.00 0.00 H new ATOM 0 HB3 GLN A 32 6.524 -15.045 8.276 1.00 0.00 H new ATOM 0 HG2 GLN A 32 6.306 -16.170 10.394 1.00 0.00 H new ATOM 0 HG3 GLN A 32 5.014 -17.191 9.794 1.00 0.00 H new ATOM 0 HE21 GLN A 32 7.882 -17.608 10.903 1.00 0.00 H new ATOM 0 HE22 GLN A 32 8.596 -18.749 9.759 1.00 0.00 H new ATOM 460 N ALA A 33 5.027 -13.045 10.265 1.00 0.00 N ATOM 461 CA ALA A 33 5.152 -12.414 11.573 1.00 0.00 C ATOM 462 C ALA A 33 3.975 -11.486 11.850 1.00 0.00 C ATOM 463 O ALA A 33 3.550 -11.331 12.995 1.00 0.00 O ATOM 464 CB ALA A 33 6.464 -11.648 11.666 1.00 0.00 C ATOM 0 H ALA A 33 5.369 -12.479 9.489 1.00 0.00 H new ATOM 0 HA ALA A 33 5.147 -13.199 12.329 1.00 0.00 H new ATOM 0 HB1 ALA A 33 6.544 -11.182 12.648 1.00 0.00 H new ATOM 0 HB2 ALA A 33 7.298 -12.335 11.521 1.00 0.00 H new ATOM 0 HB3 ALA A 33 6.491 -10.878 10.895 1.00 0.00 H new ATOM 470 N ASP A 34 3.451 -10.872 10.795 1.00 0.00 N ATOM 471 CA ASP A 34 2.322 -9.959 10.924 1.00 0.00 C ATOM 472 C ASP A 34 1.061 -10.563 10.314 1.00 0.00 C ATOM 473 O ASP A 34 -0.035 -10.023 10.465 1.00 0.00 O ATOM 474 CB ASP A 34 2.639 -8.622 10.251 1.00 0.00 C ATOM 475 CG ASP A 34 1.871 -7.468 10.865 1.00 0.00 C ATOM 476 OD1 ASP A 34 1.885 -7.340 12.107 1.00 0.00 O ATOM 477 OD2 ASP A 34 1.256 -6.693 10.103 1.00 0.00 O ATOM 0 H ASP A 34 3.790 -10.990 9.840 1.00 0.00 H new ATOM 0 HA ASP A 34 2.145 -9.789 11.986 1.00 0.00 H new ATOM 0 HB2 ASP A 34 3.708 -8.425 10.328 1.00 0.00 H new ATOM 0 HB3 ASP A 34 2.402 -8.688 9.189 1.00 0.00 H new ATOM 482 N HIS A 35 1.225 -11.687 9.623 1.00 0.00 N ATOM 483 CA HIS A 35 0.100 -12.366 8.989 1.00 0.00 C ATOM 484 C HIS A 35 -0.573 -11.459 7.963 1.00 0.00 C ATOM 485 O HIS A 35 -1.779 -11.553 7.733 1.00 0.00 O ATOM 486 CB HIS A 35 -0.917 -12.806 10.043 1.00 0.00 C ATOM 487 CG HIS A 35 -0.378 -13.814 11.011 1.00 0.00 C ATOM 488 ND1 HIS A 35 -0.144 -15.131 10.674 1.00 0.00 N ATOM 489 CD2 HIS A 35 -0.025 -13.692 12.312 1.00 0.00 C ATOM 490 CE1 HIS A 35 0.328 -15.775 11.726 1.00 0.00 C ATOM 491 NE2 HIS A 35 0.410 -14.925 12.733 1.00 0.00 N ATOM 0 H HIS A 35 2.126 -12.147 9.488 1.00 0.00 H new ATOM 0 HA HIS A 35 0.482 -13.247 8.474 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -1.258 -11.930 10.595 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -1.789 -13.226 9.542 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -0.076 -12.793 12.908 1.00 0.00 H new ATOM 0 HE1 HIS A 35 0.601 -16.820 11.757 1.00 0.00 H new ATOM 0 HE2 HIS A 35 0.742 -15.148 13.671 1.00 0.00 H new ATOM 499 N VAL A 36 0.214 -10.581 7.350 1.00 0.00 N ATOM 500 CA VAL A 36 -0.305 -9.657 6.349 1.00 0.00 C ATOM 501 C VAL A 36 0.816 -8.833 5.726 1.00 0.00 C ATOM 502 O VAL A 36 1.742 -8.406 6.416 1.00 0.00 O ATOM 503 CB VAL A 36 -1.353 -8.704 6.954 1.00 0.00 C ATOM 504 CG1 VAL A 36 -0.697 -7.741 7.933 1.00 0.00 C ATOM 505 CG2 VAL A 36 -2.081 -7.945 5.855 1.00 0.00 C ATOM 0 H VAL A 36 1.214 -10.490 7.529 1.00 0.00 H new ATOM 0 HA VAL A 36 -0.779 -10.262 5.576 1.00 0.00 H new ATOM 0 HB VAL A 36 -2.086 -9.298 7.500 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -1.453 -7.076 8.350 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -0.226 -8.305 8.738 1.00 0.00 H new ATOM 0 HG13 VAL A 36 0.058 -7.152 7.413 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -2.818 -7.277 6.301 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -1.363 -7.361 5.279 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -2.585 -8.653 5.197 1.00 0.00 H new ATOM 515 N CYS A 37 0.726 -8.614 4.420 1.00 0.00 N ATOM 516 CA CYS A 37 1.735 -7.841 3.703 1.00 0.00 C ATOM 517 C CYS A 37 1.269 -7.522 2.286 1.00 0.00 C ATOM 518 O CYS A 37 0.784 -8.398 1.568 1.00 0.00 O ATOM 519 CB CYS A 37 3.058 -8.606 3.658 1.00 0.00 C ATOM 520 SG CYS A 37 4.517 -7.550 3.499 1.00 0.00 S ATOM 0 H CYS A 37 -0.035 -8.960 3.835 1.00 0.00 H new ATOM 0 HA CYS A 37 1.885 -6.903 4.237 1.00 0.00 H new ATOM 0 HB2 CYS A 37 3.152 -9.202 4.566 1.00 0.00 H new ATOM 0 HB3 CYS A 37 3.034 -9.303 2.820 1.00 0.00 H new ATOM 0 HG CYS A 37 5.185 -7.889 2.436 1.00 0.00 H new ATOM 526 N LEU A 38 1.419 -6.264 1.889 1.00 0.00 N ATOM 527 CA LEU A 38 1.013 -5.828 0.557 1.00 0.00 C ATOM 528 C LEU A 38 1.948 -6.390 -0.509 1.00 0.00 C ATOM 529 O LEU A 38 3.169 -6.300 -0.386 1.00 0.00 O ATOM 530 CB LEU A 38 0.995 -4.300 0.482 1.00 0.00 C ATOM 531 CG LEU A 38 0.992 -3.697 -0.923 1.00 0.00 C ATOM 532 CD1 LEU A 38 -0.428 -3.599 -1.459 1.00 0.00 C ATOM 533 CD2 LEU A 38 1.658 -2.329 -0.918 1.00 0.00 C ATOM 0 H LEU A 38 1.819 -5.527 2.470 1.00 0.00 H new ATOM 0 HA LEU A 38 0.008 -6.207 0.369 1.00 0.00 H new ATOM 0 HB2 LEU A 38 0.113 -3.941 1.012 1.00 0.00 H new ATOM 0 HB3 LEU A 38 1.865 -3.920 1.017 1.00 0.00 H new ATOM 0 HG LEU A 38 1.562 -4.354 -1.580 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -0.410 -3.168 -2.460 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -0.871 -4.594 -1.501 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -1.022 -2.965 -0.801 1.00 0.00 H new ATOM 0 HD21 LEU A 38 1.647 -1.915 -1.926 1.00 0.00 H new ATOM 0 HD22 LEU A 38 1.116 -1.663 -0.246 1.00 0.00 H new ATOM 0 HD23 LEU A 38 2.689 -2.427 -0.578 1.00 0.00 H new ATOM 545 N GLU A 39 1.366 -6.968 -1.555 1.00 0.00 N ATOM 546 CA GLU A 39 2.148 -7.543 -2.643 1.00 0.00 C ATOM 547 C GLU A 39 2.665 -6.453 -3.577 1.00 0.00 C ATOM 548 O GLU A 39 3.871 -6.242 -3.696 1.00 0.00 O ATOM 549 CB GLU A 39 1.306 -8.548 -3.430 1.00 0.00 C ATOM 550 CG GLU A 39 2.098 -9.324 -4.469 1.00 0.00 C ATOM 551 CD GLU A 39 1.222 -10.230 -5.314 1.00 0.00 C ATOM 552 OE1 GLU A 39 0.302 -10.859 -4.751 1.00 0.00 O ATOM 553 OE2 GLU A 39 1.458 -10.309 -6.538 1.00 0.00 O ATOM 0 H GLU A 39 0.356 -7.050 -1.672 1.00 0.00 H new ATOM 0 HA GLU A 39 3.004 -8.059 -2.208 1.00 0.00 H new ATOM 0 HB2 GLU A 39 0.850 -9.251 -2.733 1.00 0.00 H new ATOM 0 HB3 GLU A 39 0.493 -8.018 -3.926 1.00 0.00 H new ATOM 0 HG2 GLU A 39 2.622 -8.623 -5.119 1.00 0.00 H new ATOM 0 HG3 GLU A 39 2.858 -9.924 -3.968 1.00 0.00 H new ATOM 560 N ASN A 40 1.741 -5.763 -4.239 1.00 0.00 N ATOM 561 CA ASN A 40 2.103 -4.695 -5.164 1.00 0.00 C ATOM 562 C ASN A 40 1.055 -3.586 -5.150 1.00 0.00 C ATOM 563 O ASN A 40 -0.141 -3.849 -5.020 1.00 0.00 O ATOM 564 CB ASN A 40 2.255 -5.250 -6.582 1.00 0.00 C ATOM 565 CG ASN A 40 0.936 -5.726 -7.161 1.00 0.00 C ATOM 566 OD1 ASN A 40 0.507 -6.852 -6.912 1.00 0.00 O ATOM 567 ND2 ASN A 40 0.288 -4.867 -7.939 1.00 0.00 N ATOM 0 H ASN A 40 0.738 -5.924 -4.152 1.00 0.00 H new ATOM 0 HA ASN A 40 3.056 -4.275 -4.841 1.00 0.00 H new ATOM 0 HB2 ASN A 40 2.675 -4.479 -7.228 1.00 0.00 H new ATOM 0 HB3 ASN A 40 2.964 -6.078 -6.571 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -0.604 -5.131 -8.358 1.00 0.00 H new ATOM 0 HD22 ASN A 40 0.682 -3.943 -8.118 1.00 0.00 H new ATOM 574 N CYS A 41 1.513 -2.346 -5.284 1.00 0.00 N ATOM 575 CA CYS A 41 0.616 -1.196 -5.287 1.00 0.00 C ATOM 576 C CYS A 41 0.961 -0.239 -6.423 1.00 0.00 C ATOM 577 O CYS A 41 2.094 0.231 -6.530 1.00 0.00 O ATOM 578 CB CYS A 41 0.689 -0.463 -3.946 1.00 0.00 C ATOM 579 SG CYS A 41 -0.543 0.847 -3.753 1.00 0.00 S ATOM 0 H CYS A 41 2.500 -2.112 -5.392 1.00 0.00 H new ATOM 0 HA CYS A 41 -0.400 -1.560 -5.440 1.00 0.00 H new ATOM 0 HB2 CYS A 41 0.563 -1.187 -3.141 1.00 0.00 H new ATOM 0 HB3 CYS A 41 1.684 -0.031 -3.834 1.00 0.00 H new ATOM 0 HG CYS A 41 -0.403 1.406 -2.588 1.00 0.00 H new ATOM 585 N VAL A 42 -0.022 0.044 -7.271 1.00 0.00 N ATOM 586 CA VAL A 42 0.178 0.944 -8.401 1.00 0.00 C ATOM 587 C VAL A 42 -0.661 2.208 -8.251 1.00 0.00 C ATOM 588 O VAL A 42 -1.555 2.277 -7.406 1.00 0.00 O ATOM 589 CB VAL A 42 -0.178 0.260 -9.734 1.00 0.00 C ATOM 590 CG1 VAL A 42 0.660 -0.994 -9.931 1.00 0.00 C ATOM 591 CG2 VAL A 42 -1.663 -0.068 -9.784 1.00 0.00 C ATOM 0 H VAL A 42 -0.965 -0.337 -7.197 1.00 0.00 H new ATOM 0 HA VAL A 42 1.235 1.211 -8.410 1.00 0.00 H new ATOM 0 HB VAL A 42 0.046 0.950 -10.548 1.00 0.00 H new ATOM 0 HG11 VAL A 42 0.395 -1.464 -10.878 1.00 0.00 H new ATOM 0 HG12 VAL A 42 1.717 -0.727 -9.942 1.00 0.00 H new ATOM 0 HG13 VAL A 42 0.470 -1.691 -9.115 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -1.897 -0.551 -10.733 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -1.915 -0.739 -8.963 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -2.242 0.851 -9.692 1.00 0.00 H new ATOM 601 N LEU A 43 -0.369 3.207 -9.077 1.00 0.00 N ATOM 602 CA LEU A 43 -1.097 4.470 -9.038 1.00 0.00 C ATOM 603 C LEU A 43 -1.581 4.863 -10.430 1.00 0.00 C ATOM 604 O LEU A 43 -0.781 5.051 -11.347 1.00 0.00 O ATOM 605 CB LEU A 43 -0.209 5.575 -8.463 1.00 0.00 C ATOM 606 CG LEU A 43 -0.934 6.710 -7.739 1.00 0.00 C ATOM 607 CD1 LEU A 43 -0.020 7.356 -6.709 1.00 0.00 C ATOM 608 CD2 LEU A 43 -1.434 7.746 -8.735 1.00 0.00 C ATOM 0 H LEU A 43 0.367 3.166 -9.782 1.00 0.00 H new ATOM 0 HA LEU A 43 -1.967 4.340 -8.395 1.00 0.00 H new ATOM 0 HB2 LEU A 43 0.498 5.121 -7.769 1.00 0.00 H new ATOM 0 HB3 LEU A 43 0.375 6.005 -9.277 1.00 0.00 H new ATOM 0 HG LEU A 43 -1.795 6.291 -7.219 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -0.553 8.161 -6.204 1.00 0.00 H new ATOM 0 HD12 LEU A 43 0.288 6.610 -5.977 1.00 0.00 H new ATOM 0 HD13 LEU A 43 0.861 7.761 -7.207 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -1.947 8.546 -8.201 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -0.589 8.160 -9.284 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -2.125 7.275 -9.434 1.00 0.00 H new ATOM 620 N LYS A 44 -2.895 4.988 -10.580 1.00 0.00 N ATOM 621 CA LYS A 44 -3.487 5.363 -11.859 1.00 0.00 C ATOM 622 C LYS A 44 -3.785 6.858 -11.904 1.00 0.00 C ATOM 623 O LYS A 44 -3.614 7.565 -10.910 1.00 0.00 O ATOM 624 CB LYS A 44 -4.773 4.569 -12.101 1.00 0.00 C ATOM 625 CG LYS A 44 -4.565 3.064 -12.114 1.00 0.00 C ATOM 626 CD LYS A 44 -4.730 2.466 -10.727 1.00 0.00 C ATOM 627 CE LYS A 44 -6.193 2.410 -10.315 1.00 0.00 C ATOM 628 NZ LYS A 44 -6.901 1.258 -10.939 1.00 0.00 N ATOM 0 H LYS A 44 -3.571 4.835 -9.831 1.00 0.00 H new ATOM 0 HA LYS A 44 -2.769 5.130 -12.645 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -5.497 4.821 -11.326 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -5.206 4.876 -13.053 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -5.279 2.603 -12.797 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -3.569 2.837 -12.493 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -4.307 1.461 -10.710 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -4.170 3.060 -10.005 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -6.262 2.334 -9.230 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -6.687 3.338 -10.602 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -7.798 1.090 -10.439 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -7.096 1.470 -11.938 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -6.305 0.408 -10.876 1.00 0.00 H new ATOM 642 N ASP A 45 -4.231 7.333 -13.061 1.00 0.00 N ATOM 643 CA ASP A 45 -4.555 8.745 -13.234 1.00 0.00 C ATOM 644 C ASP A 45 -5.106 9.339 -11.941 1.00 0.00 C ATOM 645 O ASP A 45 -4.437 10.129 -11.275 1.00 0.00 O ATOM 646 CB ASP A 45 -5.571 8.922 -14.364 1.00 0.00 C ATOM 647 CG ASP A 45 -4.978 8.623 -15.727 1.00 0.00 C ATOM 648 OD1 ASP A 45 -4.830 7.428 -16.061 1.00 0.00 O ATOM 649 OD2 ASP A 45 -4.664 9.583 -16.461 1.00 0.00 O ATOM 0 H ASP A 45 -4.377 6.762 -13.893 1.00 0.00 H new ATOM 0 HA ASP A 45 -3.638 9.274 -13.494 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -6.423 8.265 -14.189 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -5.949 9.944 -14.352 1.00 0.00 H new ATOM 654 N LYS A 46 -6.328 8.953 -11.593 1.00 0.00 N ATOM 655 CA LYS A 46 -6.970 9.446 -10.380 1.00 0.00 C ATOM 656 C LYS A 46 -7.471 8.290 -9.521 1.00 0.00 C ATOM 657 O LYS A 46 -8.562 8.353 -8.954 1.00 0.00 O ATOM 658 CB LYS A 46 -8.134 10.374 -10.735 1.00 0.00 C ATOM 659 CG LYS A 46 -7.697 11.682 -11.372 1.00 0.00 C ATOM 660 CD LYS A 46 -7.157 12.653 -10.336 1.00 0.00 C ATOM 661 CE LYS A 46 -6.258 13.703 -10.971 1.00 0.00 C ATOM 662 NZ LYS A 46 -4.843 13.247 -11.052 1.00 0.00 N ATOM 0 H LYS A 46 -6.895 8.300 -12.134 1.00 0.00 H new ATOM 0 HA LYS A 46 -6.229 10.005 -9.809 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -8.807 9.854 -11.417 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -8.703 10.592 -9.831 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -6.931 11.485 -12.121 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -8.542 12.135 -11.891 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -7.987 13.143 -9.827 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -6.598 12.104 -9.578 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -6.622 13.936 -11.972 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -6.310 14.624 -10.391 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -4.481 13.408 -12.014 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -4.266 13.782 -10.371 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -4.792 12.233 -10.828 1.00 0.00 H new ATOM 676 N ALA A 47 -6.668 7.236 -9.428 1.00 0.00 N ATOM 677 CA ALA A 47 -7.029 6.067 -8.635 1.00 0.00 C ATOM 678 C ALA A 47 -5.801 5.225 -8.308 1.00 0.00 C ATOM 679 O ALA A 47 -4.683 5.561 -8.701 1.00 0.00 O ATOM 680 CB ALA A 47 -8.065 5.230 -9.371 1.00 0.00 C ATOM 0 H ALA A 47 -5.762 7.167 -9.892 1.00 0.00 H new ATOM 0 HA ALA A 47 -7.459 6.414 -7.696 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -8.325 4.360 -8.768 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -8.958 5.829 -9.548 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -7.655 4.900 -10.325 1.00 0.00 H new ATOM 686 N ILE A 48 -6.015 4.129 -7.587 1.00 0.00 N ATOM 687 CA ILE A 48 -4.925 3.239 -7.208 1.00 0.00 C ATOM 688 C ILE A 48 -5.403 1.794 -7.112 1.00 0.00 C ATOM 689 O ILE A 48 -6.589 1.534 -6.914 1.00 0.00 O ATOM 690 CB ILE A 48 -4.303 3.653 -5.861 1.00 0.00 C ATOM 691 CG1 ILE A 48 -5.196 3.203 -4.703 1.00 0.00 C ATOM 692 CG2 ILE A 48 -4.088 5.158 -5.817 1.00 0.00 C ATOM 693 CD1 ILE A 48 -4.599 3.475 -3.340 1.00 0.00 C ATOM 0 H ILE A 48 -6.934 3.836 -7.254 1.00 0.00 H new ATOM 0 HA ILE A 48 -4.168 3.317 -7.988 1.00 0.00 H new ATOM 0 HB ILE A 48 -3.334 3.164 -5.759 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -6.158 3.711 -4.778 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -5.391 2.135 -4.799 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -3.648 5.435 -4.859 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -3.417 5.453 -6.623 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -5.045 5.666 -5.937 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -5.286 3.131 -2.567 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -3.651 2.945 -3.246 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -4.429 4.545 -3.224 1.00 0.00 H new ATOM 705 N ALA A 49 -4.471 0.858 -7.253 1.00 0.00 N ATOM 706 CA ALA A 49 -4.796 -0.561 -7.178 1.00 0.00 C ATOM 707 C ALA A 49 -3.653 -1.354 -6.553 1.00 0.00 C ATOM 708 O ALA A 49 -2.491 -1.180 -6.918 1.00 0.00 O ATOM 709 CB ALA A 49 -5.120 -1.102 -8.563 1.00 0.00 C ATOM 0 H ALA A 49 -3.485 1.057 -7.420 1.00 0.00 H new ATOM 0 HA ALA A 49 -5.673 -0.674 -6.541 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -5.361 -2.163 -8.492 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -5.974 -0.563 -8.974 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -4.258 -0.969 -9.217 1.00 0.00 H new ATOM 715 N GLY A 50 -3.991 -2.226 -5.608 1.00 0.00 N ATOM 716 CA GLY A 50 -2.981 -3.032 -4.947 1.00 0.00 C ATOM 717 C GLY A 50 -3.553 -4.302 -4.349 1.00 0.00 C ATOM 718 O GLY A 50 -4.706 -4.331 -3.917 1.00 0.00 O ATOM 0 H GLY A 50 -4.946 -2.389 -5.288 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -2.201 -3.291 -5.663 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -2.509 -2.444 -4.160 1.00 0.00 H new ATOM 722 N THR A 51 -2.746 -5.359 -4.325 1.00 0.00 N ATOM 723 CA THR A 51 -3.179 -6.639 -3.779 1.00 0.00 C ATOM 724 C THR A 51 -2.492 -6.930 -2.450 1.00 0.00 C ATOM 725 O THR A 51 -1.265 -6.910 -2.356 1.00 0.00 O ATOM 726 CB THR A 51 -2.890 -7.793 -4.757 1.00 0.00 C ATOM 727 OG1 THR A 51 -1.485 -7.871 -5.022 1.00 0.00 O ATOM 728 CG2 THR A 51 -3.648 -7.599 -6.062 1.00 0.00 C ATOM 0 H THR A 51 -1.789 -5.353 -4.678 1.00 0.00 H new ATOM 0 HA THR A 51 -4.255 -6.568 -3.621 1.00 0.00 H new ATOM 0 HB THR A 51 -3.224 -8.723 -4.296 1.00 0.00 H new ATOM 0 HG1 THR A 51 -1.265 -7.303 -5.790 1.00 0.00 H new ATOM 0 HG21 THR A 51 -3.428 -8.426 -6.737 1.00 0.00 H new ATOM 0 HG22 THR A 51 -4.719 -7.570 -5.860 1.00 0.00 H new ATOM 0 HG23 THR A 51 -3.341 -6.661 -6.525 1.00 0.00 H new ATOM 736 N VAL A 52 -3.292 -7.202 -1.423 1.00 0.00 N ATOM 737 CA VAL A 52 -2.760 -7.500 -0.098 1.00 0.00 C ATOM 738 C VAL A 52 -2.801 -8.997 0.186 1.00 0.00 C ATOM 739 O VAL A 52 -3.770 -9.678 -0.149 1.00 0.00 O ATOM 740 CB VAL A 52 -3.544 -6.758 1.000 1.00 0.00 C ATOM 741 CG1 VAL A 52 -3.047 -7.167 2.379 1.00 0.00 C ATOM 742 CG2 VAL A 52 -3.432 -5.253 0.810 1.00 0.00 C ATOM 0 H VAL A 52 -4.310 -7.222 -1.483 1.00 0.00 H new ATOM 0 HA VAL A 52 -1.724 -7.160 -0.088 1.00 0.00 H new ATOM 0 HB VAL A 52 -4.596 -7.034 0.921 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -3.612 -6.633 3.143 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -3.183 -8.240 2.511 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -1.989 -6.921 2.472 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -3.992 -4.745 1.595 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -2.384 -4.957 0.862 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -3.839 -4.978 -0.163 1.00 0.00 H new ATOM 752 N LYS A 53 -1.742 -9.504 0.808 1.00 0.00 N ATOM 753 CA LYS A 53 -1.656 -10.921 1.141 1.00 0.00 C ATOM 754 C LYS A 53 -1.845 -11.141 2.639 1.00 0.00 C ATOM 755 O LYS A 53 -1.392 -10.340 3.456 1.00 0.00 O ATOM 756 CB LYS A 53 -0.305 -11.489 0.699 1.00 0.00 C ATOM 757 CG LYS A 53 -0.353 -12.966 0.345 1.00 0.00 C ATOM 758 CD LYS A 53 -0.681 -13.177 -1.123 1.00 0.00 C ATOM 759 CE LYS A 53 0.576 -13.177 -1.980 1.00 0.00 C ATOM 760 NZ LYS A 53 1.295 -14.479 -1.911 1.00 0.00 N ATOM 0 H LYS A 53 -0.931 -8.954 1.092 1.00 0.00 H new ATOM 0 HA LYS A 53 -2.454 -11.442 0.611 1.00 0.00 H new ATOM 0 HB2 LYS A 53 0.050 -10.928 -0.165 1.00 0.00 H new ATOM 0 HB3 LYS A 53 0.422 -11.339 1.497 1.00 0.00 H new ATOM 0 HG2 LYS A 53 0.608 -13.427 0.574 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -1.101 -13.465 0.961 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -1.207 -14.123 -1.247 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -1.355 -12.391 -1.463 1.00 0.00 H new ATOM 0 HE2 LYS A 53 0.310 -12.964 -3.015 1.00 0.00 H new ATOM 0 HE3 LYS A 53 1.240 -12.378 -1.651 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 2.145 -14.438 -2.508 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 1.572 -14.671 -0.927 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 0.671 -15.239 -2.249 1.00 0.00 H new ATOM 774 N VAL A 54 -2.518 -12.232 2.992 1.00 0.00 N ATOM 775 CA VAL A 54 -2.765 -12.558 4.391 1.00 0.00 C ATOM 776 C VAL A 54 -2.578 -14.049 4.649 1.00 0.00 C ATOM 777 O VAL A 54 -2.537 -14.850 3.715 1.00 0.00 O ATOM 778 CB VAL A 54 -4.186 -12.148 4.821 1.00 0.00 C ATOM 779 CG1 VAL A 54 -4.312 -10.633 4.872 1.00 0.00 C ATOM 780 CG2 VAL A 54 -5.220 -12.746 3.879 1.00 0.00 C ATOM 0 H VAL A 54 -2.902 -12.905 2.328 1.00 0.00 H new ATOM 0 HA VAL A 54 -2.039 -11.996 4.979 1.00 0.00 H new ATOM 0 HB VAL A 54 -4.371 -12.538 5.822 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -5.323 -10.362 5.178 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -3.596 -10.232 5.590 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -4.108 -10.217 3.885 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -6.219 -12.446 4.197 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -5.039 -12.388 2.866 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -5.144 -13.833 3.898 1.00 0.00 H new ATOM 790 N GLN A 55 -2.467 -14.415 5.922 1.00 0.00 N ATOM 791 CA GLN A 55 -2.285 -15.810 6.303 1.00 0.00 C ATOM 792 C GLN A 55 -3.626 -16.475 6.592 1.00 0.00 C ATOM 793 O GLN A 55 -4.480 -15.904 7.268 1.00 0.00 O ATOM 794 CB GLN A 55 -1.377 -15.912 7.530 1.00 0.00 C ATOM 795 CG GLN A 55 0.105 -15.890 7.193 1.00 0.00 C ATOM 796 CD GLN A 55 0.635 -17.254 6.800 1.00 0.00 C ATOM 797 OE1 GLN A 55 0.242 -17.814 5.776 1.00 0.00 O ATOM 798 NE2 GLN A 55 1.533 -17.798 7.613 1.00 0.00 N ATOM 0 H GLN A 55 -2.500 -13.764 6.707 1.00 0.00 H new ATOM 0 HA GLN A 55 -1.815 -16.329 5.468 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -1.600 -15.087 8.206 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -1.606 -16.833 8.066 1.00 0.00 H new ATOM 0 HG2 GLN A 55 0.278 -15.189 6.377 1.00 0.00 H new ATOM 0 HG3 GLN A 55 0.664 -15.522 8.053 1.00 0.00 H new ATOM 0 HE21 GLN A 55 1.831 -17.299 8.451 1.00 0.00 H new ATOM 0 HE22 GLN A 55 1.925 -18.715 7.399 1.00 0.00 H new ATOM 807 N ASN A 56 -3.805 -17.686 6.074 1.00 0.00 N ATOM 808 CA ASN A 56 -5.044 -18.429 6.276 1.00 0.00 C ATOM 809 C ASN A 56 -5.080 -19.060 7.664 1.00 0.00 C ATOM 810 O ASN A 56 -4.890 -20.267 7.815 1.00 0.00 O ATOM 811 CB ASN A 56 -5.192 -19.514 5.207 1.00 0.00 C ATOM 812 CG ASN A 56 -6.404 -20.395 5.442 1.00 0.00 C ATOM 813 OD1 ASN A 56 -7.524 -19.904 5.581 1.00 0.00 O ATOM 814 ND2 ASN A 56 -6.184 -21.704 5.488 1.00 0.00 N ATOM 0 H ASN A 56 -3.108 -18.174 5.511 1.00 0.00 H new ATOM 0 HA ASN A 56 -5.876 -17.729 6.193 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -5.271 -19.045 4.226 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -4.294 -20.132 5.193 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -6.961 -22.347 5.644 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -5.238 -22.067 5.367 1.00 0.00 H new ATOM 821 N LEU A 57 -5.325 -18.234 8.676 1.00 0.00 N ATOM 822 CA LEU A 57 -5.387 -18.711 10.054 1.00 0.00 C ATOM 823 C LEU A 57 -6.798 -19.169 10.409 1.00 0.00 C ATOM 824 O LEU A 57 -6.993 -20.273 10.915 1.00 0.00 O ATOM 825 CB LEU A 57 -4.939 -17.609 11.016 1.00 0.00 C ATOM 826 CG LEU A 57 -3.630 -16.901 10.664 1.00 0.00 C ATOM 827 CD1 LEU A 57 -3.371 -15.749 11.622 1.00 0.00 C ATOM 828 CD2 LEU A 57 -2.470 -17.886 10.686 1.00 0.00 C ATOM 0 H LEU A 57 -5.484 -17.232 8.569 1.00 0.00 H new ATOM 0 HA LEU A 57 -4.714 -19.563 10.148 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -5.729 -16.861 11.073 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -4.838 -18.042 12.011 1.00 0.00 H new ATOM 0 HG LEU A 57 -3.718 -16.495 9.656 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -2.435 -15.258 11.356 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -4.189 -15.031 11.558 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -3.303 -16.131 12.641 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -1.546 -17.366 10.433 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -2.381 -18.321 11.681 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -2.651 -18.678 9.959 1.00 0.00 H new ATOM 840 N ALA A 58 -7.778 -18.314 10.137 1.00 0.00 N ATOM 841 CA ALA A 58 -9.171 -18.632 10.423 1.00 0.00 C ATOM 842 C ALA A 58 -9.969 -18.812 9.136 1.00 0.00 C ATOM 843 O ALA A 58 -9.484 -18.509 8.046 1.00 0.00 O ATOM 844 CB ALA A 58 -9.795 -17.545 11.286 1.00 0.00 C ATOM 0 H ALA A 58 -7.633 -17.395 9.719 1.00 0.00 H new ATOM 0 HA ALA A 58 -9.197 -19.574 10.970 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -10.836 -17.796 11.491 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -9.248 -17.468 12.226 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -9.749 -16.592 10.760 1.00 0.00 H new ATOM 850 N PHE A 59 -11.195 -19.307 9.270 1.00 0.00 N ATOM 851 CA PHE A 59 -12.060 -19.529 8.116 1.00 0.00 C ATOM 852 C PHE A 59 -12.394 -18.210 7.426 1.00 0.00 C ATOM 853 O PHE A 59 -12.166 -18.050 6.228 1.00 0.00 O ATOM 854 CB PHE A 59 -13.348 -20.234 8.546 1.00 0.00 C ATOM 855 CG PHE A 59 -13.125 -21.332 9.547 1.00 0.00 C ATOM 856 CD1 PHE A 59 -12.668 -22.575 9.140 1.00 0.00 C ATOM 857 CD2 PHE A 59 -13.373 -21.121 10.893 1.00 0.00 C ATOM 858 CE1 PHE A 59 -12.463 -23.587 10.058 1.00 0.00 C ATOM 859 CE2 PHE A 59 -13.169 -22.130 11.816 1.00 0.00 C ATOM 860 CZ PHE A 59 -12.713 -23.364 11.398 1.00 0.00 C ATOM 0 H PHE A 59 -11.612 -19.562 10.165 1.00 0.00 H new ATOM 0 HA PHE A 59 -11.526 -20.164 7.409 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -14.031 -19.498 8.971 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -13.837 -20.650 7.665 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -12.470 -22.755 8.094 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -13.730 -20.157 11.225 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -12.107 -24.552 9.728 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -13.366 -21.953 12.863 1.00 0.00 H new ATOM 0 HZ PHE A 59 -12.552 -24.153 12.117 1.00 0.00 H new ATOM 870 N GLU A 60 -12.938 -17.269 8.192 1.00 0.00 N ATOM 871 CA GLU A 60 -13.305 -15.965 7.654 1.00 0.00 C ATOM 872 C GLU A 60 -12.112 -15.013 7.672 1.00 0.00 C ATOM 873 O GLU A 60 -11.115 -15.262 8.349 1.00 0.00 O ATOM 874 CB GLU A 60 -14.462 -15.365 8.456 1.00 0.00 C ATOM 875 CG GLU A 60 -15.704 -16.240 8.480 1.00 0.00 C ATOM 876 CD GLU A 60 -16.522 -16.127 7.208 1.00 0.00 C ATOM 877 OE1 GLU A 60 -16.395 -15.099 6.511 1.00 0.00 O ATOM 878 OE2 GLU A 60 -17.288 -17.067 6.910 1.00 0.00 O ATOM 0 H GLU A 60 -13.134 -17.386 9.186 1.00 0.00 H new ATOM 0 HA GLU A 60 -13.622 -16.103 6.620 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -14.131 -15.190 9.480 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -14.720 -14.394 8.034 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -15.409 -17.279 8.627 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -16.324 -15.961 9.332 1.00 0.00 H new ATOM 885 N LYS A 61 -12.223 -13.922 6.922 1.00 0.00 N ATOM 886 CA LYS A 61 -11.155 -12.931 6.850 1.00 0.00 C ATOM 887 C LYS A 61 -11.723 -11.536 6.608 1.00 0.00 C ATOM 888 O LYS A 61 -12.663 -11.363 5.831 1.00 0.00 O ATOM 889 CB LYS A 61 -10.169 -13.293 5.737 1.00 0.00 C ATOM 890 CG LYS A 61 -9.690 -14.733 5.793 1.00 0.00 C ATOM 891 CD LYS A 61 -8.538 -14.975 4.833 1.00 0.00 C ATOM 892 CE LYS A 61 -8.236 -16.458 4.687 1.00 0.00 C ATOM 893 NZ LYS A 61 -7.024 -16.699 3.855 1.00 0.00 N ATOM 0 H LYS A 61 -13.042 -13.701 6.355 1.00 0.00 H new ATOM 0 HA LYS A 61 -10.630 -12.929 7.805 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -10.642 -13.114 4.772 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -9.306 -12.629 5.797 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -9.375 -14.973 6.808 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -10.515 -15.402 5.548 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -8.782 -14.555 3.857 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -7.649 -14.455 5.191 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -8.092 -16.898 5.674 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -9.092 -16.960 4.236 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -7.267 -17.324 3.060 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -6.670 -15.793 3.487 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -6.288 -17.148 4.436 1.00 0.00 H new ATOM 907 N THR A 62 -11.145 -10.542 7.276 1.00 0.00 N ATOM 908 CA THR A 62 -11.594 -9.163 7.133 1.00 0.00 C ATOM 909 C THR A 62 -10.453 -8.259 6.679 1.00 0.00 C ATOM 910 O THR A 62 -9.675 -7.766 7.496 1.00 0.00 O ATOM 911 CB THR A 62 -12.170 -8.619 8.453 1.00 0.00 C ATOM 912 OG1 THR A 62 -13.215 -9.479 8.923 1.00 0.00 O ATOM 913 CG2 THR A 62 -12.711 -7.210 8.268 1.00 0.00 C ATOM 0 H THR A 62 -10.365 -10.667 7.921 1.00 0.00 H new ATOM 0 HA THR A 62 -12.379 -9.163 6.376 1.00 0.00 H new ATOM 0 HB THR A 62 -11.366 -8.588 9.189 1.00 0.00 H new ATOM 0 HG1 THR A 62 -13.575 -9.127 9.764 1.00 0.00 H new ATOM 0 HG21 THR A 62 -13.113 -6.847 9.214 1.00 0.00 H new ATOM 0 HG22 THR A 62 -11.907 -6.552 7.939 1.00 0.00 H new ATOM 0 HG23 THR A 62 -13.502 -7.220 7.518 1.00 0.00 H new ATOM 921 N VAL A 63 -10.360 -8.043 5.370 1.00 0.00 N ATOM 922 CA VAL A 63 -9.315 -7.196 4.807 1.00 0.00 C ATOM 923 C VAL A 63 -9.888 -5.873 4.312 1.00 0.00 C ATOM 924 O VAL A 63 -10.738 -5.846 3.421 1.00 0.00 O ATOM 925 CB VAL A 63 -8.590 -7.897 3.644 1.00 0.00 C ATOM 926 CG1 VAL A 63 -7.480 -7.014 3.096 1.00 0.00 C ATOM 927 CG2 VAL A 63 -8.040 -9.243 4.092 1.00 0.00 C ATOM 0 H VAL A 63 -10.996 -8.443 4.680 1.00 0.00 H new ATOM 0 HA VAL A 63 -8.599 -7.002 5.606 1.00 0.00 H new ATOM 0 HB VAL A 63 -9.310 -8.073 2.844 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -6.979 -7.527 2.275 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -7.905 -6.078 2.734 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -6.759 -6.804 3.886 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -7.531 -9.724 3.257 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -7.335 -9.094 4.910 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -8.860 -9.877 4.431 1.00 0.00 H new ATOM 937 N LYS A 64 -9.417 -4.776 4.894 1.00 0.00 N ATOM 938 CA LYS A 64 -9.880 -3.447 4.511 1.00 0.00 C ATOM 939 C LYS A 64 -8.731 -2.444 4.529 1.00 0.00 C ATOM 940 O LYS A 64 -7.983 -2.360 5.504 1.00 0.00 O ATOM 941 CB LYS A 64 -10.993 -2.981 5.453 1.00 0.00 C ATOM 942 CG LYS A 64 -12.343 -3.610 5.157 1.00 0.00 C ATOM 943 CD LYS A 64 -13.185 -3.740 6.415 1.00 0.00 C ATOM 944 CE LYS A 64 -14.502 -4.448 6.134 1.00 0.00 C ATOM 945 NZ LYS A 64 -15.561 -3.496 5.699 1.00 0.00 N ATOM 0 H LYS A 64 -8.714 -4.781 5.633 1.00 0.00 H new ATOM 0 HA LYS A 64 -10.272 -3.505 3.496 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -10.710 -3.214 6.479 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -11.084 -1.897 5.386 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -12.875 -3.004 4.423 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -12.197 -4.594 4.712 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -12.628 -4.293 7.171 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -13.383 -2.750 6.825 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -14.352 -5.202 5.361 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -14.831 -4.972 7.031 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -16.443 -4.017 5.517 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -15.723 -2.791 6.447 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -15.258 -3.014 4.829 1.00 0.00 H new ATOM 959 N ILE A 65 -8.597 -1.685 3.446 1.00 0.00 N ATOM 960 CA ILE A 65 -7.541 -0.687 3.340 1.00 0.00 C ATOM 961 C ILE A 65 -8.029 0.682 3.803 1.00 0.00 C ATOM 962 O ILE A 65 -9.021 1.203 3.294 1.00 0.00 O ATOM 963 CB ILE A 65 -7.018 -0.571 1.896 1.00 0.00 C ATOM 964 CG1 ILE A 65 -6.466 -1.917 1.421 1.00 0.00 C ATOM 965 CG2 ILE A 65 -5.950 0.508 1.804 1.00 0.00 C ATOM 966 CD1 ILE A 65 -5.322 -2.433 2.267 1.00 0.00 C ATOM 0 H ILE A 65 -9.207 -1.743 2.630 1.00 0.00 H new ATOM 0 HA ILE A 65 -6.729 -1.019 3.987 1.00 0.00 H new ATOM 0 HB ILE A 65 -7.847 -0.290 1.247 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -7.271 -2.652 1.425 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -6.129 -1.819 0.389 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -5.591 0.578 0.777 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -6.374 1.466 2.106 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -5.119 0.255 2.463 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -4.981 -3.390 1.873 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -4.500 -1.717 2.243 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -5.660 -2.564 3.295 1.00 0.00 H new ATOM 978 N ARG A 66 -7.324 1.259 4.771 1.00 0.00 N ATOM 979 CA ARG A 66 -7.686 2.568 5.302 1.00 0.00 C ATOM 980 C ARG A 66 -6.627 3.609 4.951 1.00 0.00 C ATOM 981 O ARG A 66 -5.464 3.478 5.331 1.00 0.00 O ATOM 982 CB ARG A 66 -7.860 2.495 6.820 1.00 0.00 C ATOM 983 CG ARG A 66 -9.265 2.109 7.254 1.00 0.00 C ATOM 984 CD ARG A 66 -9.420 2.177 8.765 1.00 0.00 C ATOM 985 NE ARG A 66 -8.952 0.958 9.419 1.00 0.00 N ATOM 986 CZ ARG A 66 -9.379 0.553 10.610 1.00 0.00 C ATOM 987 NH1 ARG A 66 -10.278 1.266 11.274 1.00 0.00 N ATOM 988 NH2 ARG A 66 -8.905 -0.568 11.139 1.00 0.00 N ATOM 0 H ARG A 66 -6.500 0.841 5.203 1.00 0.00 H new ATOM 0 HA ARG A 66 -8.630 2.868 4.848 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -7.152 1.771 7.224 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -7.608 3.463 7.253 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -9.988 2.775 6.783 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -9.489 1.099 6.909 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -8.862 3.031 9.148 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -10.468 2.343 9.015 1.00 0.00 H new ATOM 0 HE ARG A 66 -8.260 0.386 8.935 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -10.644 2.128 10.871 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -10.604 0.952 12.188 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -8.213 -1.119 10.631 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -9.233 -0.879 12.053 1.00 0.00 H new ATOM 1002 N MET A 67 -7.038 4.641 4.222 1.00 0.00 N ATOM 1003 CA MET A 67 -6.125 5.705 3.820 1.00 0.00 C ATOM 1004 C MET A 67 -6.667 7.071 4.229 1.00 0.00 C ATOM 1005 O MET A 67 -7.861 7.342 4.096 1.00 0.00 O ATOM 1006 CB MET A 67 -5.897 5.666 2.308 1.00 0.00 C ATOM 1007 CG MET A 67 -5.089 6.842 1.785 1.00 0.00 C ATOM 1008 SD MET A 67 -4.121 6.424 0.321 1.00 0.00 S ATOM 1009 CE MET A 67 -5.408 6.340 -0.922 1.00 0.00 C ATOM 0 H MET A 67 -7.997 4.763 3.897 1.00 0.00 H new ATOM 0 HA MET A 67 -5.174 5.545 4.328 1.00 0.00 H new ATOM 0 HB2 MET A 67 -5.384 4.740 2.050 1.00 0.00 H new ATOM 0 HB3 MET A 67 -6.863 5.646 1.804 1.00 0.00 H new ATOM 0 HG2 MET A 67 -5.764 7.664 1.547 1.00 0.00 H new ATOM 0 HG3 MET A 67 -4.420 7.196 2.569 1.00 0.00 H new ATOM 0 HE1 MET A 67 -5.501 5.315 -1.281 1.00 0.00 H new ATOM 0 HE2 MET A 67 -6.355 6.659 -0.487 1.00 0.00 H new ATOM 0 HE3 MET A 67 -5.152 6.994 -1.755 1.00 0.00 H new ATOM 1019 N THR A 68 -5.782 7.929 4.728 1.00 0.00 N ATOM 1020 CA THR A 68 -6.173 9.265 5.158 1.00 0.00 C ATOM 1021 C THR A 68 -5.561 10.333 4.258 1.00 0.00 C ATOM 1022 O THR A 68 -4.578 10.082 3.560 1.00 0.00 O ATOM 1023 CB THR A 68 -5.748 9.533 6.615 1.00 0.00 C ATOM 1024 OG1 THR A 68 -6.341 10.751 7.081 1.00 0.00 O ATOM 1025 CG2 THR A 68 -4.234 9.624 6.729 1.00 0.00 C ATOM 0 H THR A 68 -4.790 7.722 4.844 1.00 0.00 H new ATOM 0 HA THR A 68 -7.260 9.314 5.089 1.00 0.00 H new ATOM 0 HB THR A 68 -6.093 8.702 7.230 1.00 0.00 H new ATOM 0 HG1 THR A 68 -7.312 10.712 6.953 1.00 0.00 H new ATOM 0 HG21 THR A 68 -3.958 9.814 7.766 1.00 0.00 H new ATOM 0 HG22 THR A 68 -3.787 8.686 6.400 1.00 0.00 H new ATOM 0 HG23 THR A 68 -3.870 10.438 6.102 1.00 0.00 H new ATOM 1033 N PHE A 69 -6.148 11.525 4.279 1.00 0.00 N ATOM 1034 CA PHE A 69 -5.660 12.631 3.463 1.00 0.00 C ATOM 1035 C PHE A 69 -5.517 13.900 4.298 1.00 0.00 C ATOM 1036 O PHE A 69 -5.293 14.986 3.763 1.00 0.00 O ATOM 1037 CB PHE A 69 -6.608 12.884 2.289 1.00 0.00 C ATOM 1038 CG PHE A 69 -6.908 11.651 1.485 1.00 0.00 C ATOM 1039 CD1 PHE A 69 -7.796 10.699 1.959 1.00 0.00 C ATOM 1040 CD2 PHE A 69 -6.303 11.445 0.256 1.00 0.00 C ATOM 1041 CE1 PHE A 69 -8.074 9.563 1.221 1.00 0.00 C ATOM 1042 CE2 PHE A 69 -6.577 10.312 -0.486 1.00 0.00 C ATOM 1043 CZ PHE A 69 -7.464 9.370 -0.003 1.00 0.00 C ATOM 0 H PHE A 69 -6.962 11.750 4.852 1.00 0.00 H new ATOM 0 HA PHE A 69 -4.678 12.359 3.076 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -7.543 13.297 2.669 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -6.170 13.637 1.634 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -8.276 10.846 2.915 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -5.609 12.179 -0.127 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -8.767 8.828 1.601 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -6.098 10.163 -1.443 1.00 0.00 H new ATOM 0 HZ PHE A 69 -7.680 8.484 -0.581 1.00 0.00 H new ATOM 1053 N ASP A 70 -5.648 13.754 5.612 1.00 0.00 N ATOM 1054 CA ASP A 70 -5.534 14.888 6.523 1.00 0.00 C ATOM 1055 C ASP A 70 -4.666 14.533 7.726 1.00 0.00 C ATOM 1056 O ASP A 70 -5.174 14.264 8.815 1.00 0.00 O ATOM 1057 CB ASP A 70 -6.919 15.335 6.991 1.00 0.00 C ATOM 1058 CG ASP A 70 -7.909 14.188 7.048 1.00 0.00 C ATOM 1059 OD1 ASP A 70 -8.080 13.501 6.020 1.00 0.00 O ATOM 1060 OD2 ASP A 70 -8.514 13.979 8.121 1.00 0.00 O ATOM 0 H ASP A 70 -5.833 12.862 6.070 1.00 0.00 H new ATOM 0 HA ASP A 70 -5.059 15.709 5.985 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -6.837 15.789 7.978 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -7.297 16.104 6.317 1.00 0.00 H new ATOM 1065 N THR A 71 -3.352 14.533 7.522 1.00 0.00 N ATOM 1066 CA THR A 71 -2.413 14.208 8.589 1.00 0.00 C ATOM 1067 C THR A 71 -3.002 13.178 9.545 1.00 0.00 C ATOM 1068 O THR A 71 -3.020 13.382 10.759 1.00 0.00 O ATOM 1069 CB THR A 71 -2.015 15.464 9.387 1.00 0.00 C ATOM 1070 OG1 THR A 71 -1.681 16.529 8.491 1.00 0.00 O ATOM 1071 CG2 THR A 71 -0.833 15.173 10.299 1.00 0.00 C ATOM 0 H THR A 71 -2.914 14.754 6.628 1.00 0.00 H new ATOM 0 HA THR A 71 -1.525 13.791 8.113 1.00 0.00 H new ATOM 0 HB THR A 71 -2.865 15.761 10.002 1.00 0.00 H new ATOM 0 HG1 THR A 71 -1.431 17.324 9.007 1.00 0.00 H new ATOM 0 HG21 THR A 71 -0.570 16.074 10.852 1.00 0.00 H new ATOM 0 HG22 THR A 71 -1.100 14.382 11.000 1.00 0.00 H new ATOM 0 HG23 THR A 71 0.019 14.854 9.699 1.00 0.00 H new ATOM 1079 N TRP A 72 -3.483 12.071 8.991 1.00 0.00 N ATOM 1080 CA TRP A 72 -4.072 11.007 9.796 1.00 0.00 C ATOM 1081 C TRP A 72 -5.090 11.570 10.781 1.00 0.00 C ATOM 1082 O TRP A 72 -5.049 11.268 11.974 1.00 0.00 O ATOM 1083 CB TRP A 72 -2.981 10.246 10.551 1.00 0.00 C ATOM 1084 CG TRP A 72 -2.037 9.510 9.649 1.00 0.00 C ATOM 1085 CD1 TRP A 72 -0.893 9.999 9.085 1.00 0.00 C ATOM 1086 CD2 TRP A 72 -2.158 8.154 9.205 1.00 0.00 C ATOM 1087 NE1 TRP A 72 -0.295 9.029 8.318 1.00 0.00 N ATOM 1088 CE2 TRP A 72 -1.051 7.888 8.376 1.00 0.00 C ATOM 1089 CE3 TRP A 72 -3.091 7.139 9.430 1.00 0.00 C ATOM 1090 CZ2 TRP A 72 -0.856 6.649 7.771 1.00 0.00 C ATOM 1091 CZ3 TRP A 72 -2.896 5.910 8.828 1.00 0.00 C ATOM 1092 CH2 TRP A 72 -1.786 5.673 8.008 1.00 0.00 C ATOM 0 H TRP A 72 -3.477 11.887 7.988 1.00 0.00 H new ATOM 0 HA TRP A 72 -4.586 10.320 9.124 1.00 0.00 H new ATOM 0 HB2 TRP A 72 -2.415 10.949 11.162 1.00 0.00 H new ATOM 0 HB3 TRP A 72 -3.449 9.536 11.233 1.00 0.00 H new ATOM 0 HD1 TRP A 72 -0.514 11.001 9.222 1.00 0.00 H new ATOM 0 HE1 TRP A 72 0.571 9.140 7.791 1.00 0.00 H new ATOM 0 HE3 TRP A 72 -3.949 7.311 10.063 1.00 0.00 H new ATOM 0 HZ2 TRP A 72 -0.001 6.465 7.137 1.00 0.00 H new ATOM 0 HZ3 TRP A 72 -3.612 5.119 8.993 1.00 0.00 H new ATOM 0 HH2 TRP A 72 -1.661 4.701 7.554 1.00 0.00 H new ATOM 1103 N LYS A 73 -6.005 12.391 10.275 1.00 0.00 N ATOM 1104 CA LYS A 73 -7.036 12.996 11.110 1.00 0.00 C ATOM 1105 C LYS A 73 -8.377 12.298 10.910 1.00 0.00 C ATOM 1106 O LYS A 73 -9.213 12.267 11.814 1.00 0.00 O ATOM 1107 CB LYS A 73 -7.171 14.486 10.789 1.00 0.00 C ATOM 1108 CG LYS A 73 -6.075 15.342 11.400 1.00 0.00 C ATOM 1109 CD LYS A 73 -6.551 16.764 11.648 1.00 0.00 C ATOM 1110 CE LYS A 73 -6.599 17.568 10.358 1.00 0.00 C ATOM 1111 NZ LYS A 73 -7.224 18.904 10.560 1.00 0.00 N ATOM 0 H LYS A 73 -6.053 12.652 9.290 1.00 0.00 H new ATOM 0 HA LYS A 73 -6.739 12.881 12.152 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -7.163 14.618 9.707 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -8.138 14.840 11.146 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -5.747 14.898 12.340 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -5.211 15.357 10.736 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -7.542 16.743 12.102 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -5.885 17.253 12.358 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -5.588 17.695 9.971 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -7.161 17.014 9.606 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -7.238 19.421 9.658 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -8.198 18.783 10.905 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -6.674 19.443 11.259 1.00 0.00 H new ATOM 1125 N SER A 74 -8.577 11.738 9.721 1.00 0.00 N ATOM 1126 CA SER A 74 -9.818 11.043 9.402 1.00 0.00 C ATOM 1127 C SER A 74 -9.714 10.338 8.053 1.00 0.00 C ATOM 1128 O SER A 74 -9.409 10.961 7.036 1.00 0.00 O ATOM 1129 CB SER A 74 -10.989 12.026 9.387 1.00 0.00 C ATOM 1130 OG SER A 74 -12.219 11.352 9.181 1.00 0.00 O ATOM 0 H SER A 74 -7.895 11.752 8.963 1.00 0.00 H new ATOM 0 HA SER A 74 -9.993 10.292 10.173 1.00 0.00 H new ATOM 0 HB2 SER A 74 -11.023 12.570 10.331 1.00 0.00 H new ATOM 0 HB3 SER A 74 -10.839 12.764 8.599 1.00 0.00 H new ATOM 0 HG SER A 74 -12.952 12.003 9.177 1.00 0.00 H new ATOM 1136 N TYR A 75 -9.970 9.034 8.052 1.00 0.00 N ATOM 1137 CA TYR A 75 -9.903 8.243 6.830 1.00 0.00 C ATOM 1138 C TYR A 75 -11.185 7.440 6.629 1.00 0.00 C ATOM 1139 O TYR A 75 -12.082 7.459 7.473 1.00 0.00 O ATOM 1140 CB TYR A 75 -8.699 7.300 6.873 1.00 0.00 C ATOM 1141 CG TYR A 75 -8.516 6.612 8.207 1.00 0.00 C ATOM 1142 CD1 TYR A 75 -9.579 5.971 8.831 1.00 0.00 C ATOM 1143 CD2 TYR A 75 -7.281 6.604 8.843 1.00 0.00 C ATOM 1144 CE1 TYR A 75 -9.417 5.342 10.051 1.00 0.00 C ATOM 1145 CE2 TYR A 75 -7.110 5.976 10.061 1.00 0.00 C ATOM 1146 CZ TYR A 75 -8.181 5.347 10.661 1.00 0.00 C ATOM 1147 OH TYR A 75 -8.014 4.721 11.876 1.00 0.00 O ATOM 0 H TYR A 75 -10.226 8.503 8.884 1.00 0.00 H new ATOM 0 HA TYR A 75 -9.790 8.928 5.990 1.00 0.00 H new ATOM 0 HB2 TYR A 75 -8.813 6.544 6.096 1.00 0.00 H new ATOM 0 HB3 TYR A 75 -7.797 7.865 6.638 1.00 0.00 H new ATOM 0 HD1 TYR A 75 -10.548 5.964 8.355 1.00 0.00 H new ATOM 0 HD2 TYR A 75 -6.441 7.097 8.377 1.00 0.00 H new ATOM 0 HE1 TYR A 75 -10.254 4.849 10.524 1.00 0.00 H new ATOM 0 HE2 TYR A 75 -6.143 5.977 10.541 1.00 0.00 H new ATOM 0 HH TYR A 75 -7.083 4.816 12.168 1.00 0.00 H new ATOM 1157 N THR A 76 -11.264 6.734 5.506 1.00 0.00 N ATOM 1158 CA THR A 76 -12.435 5.925 5.193 1.00 0.00 C ATOM 1159 C THR A 76 -12.054 4.464 4.985 1.00 0.00 C ATOM 1160 O THR A 76 -11.087 4.158 4.286 1.00 0.00 O ATOM 1161 CB THR A 76 -13.153 6.440 3.931 1.00 0.00 C ATOM 1162 OG1 THR A 76 -13.533 7.810 4.109 1.00 0.00 O ATOM 1163 CG2 THR A 76 -14.387 5.602 3.630 1.00 0.00 C ATOM 0 H THR A 76 -10.531 6.706 4.798 1.00 0.00 H new ATOM 0 HA THR A 76 -13.110 6.005 6.045 1.00 0.00 H new ATOM 0 HB THR A 76 -12.465 6.360 3.090 1.00 0.00 H new ATOM 0 HG1 THR A 76 -13.987 8.131 3.302 1.00 0.00 H new ATOM 0 HG21 THR A 76 -14.877 5.985 2.735 1.00 0.00 H new ATOM 0 HG22 THR A 76 -14.092 4.565 3.467 1.00 0.00 H new ATOM 0 HG23 THR A 76 -15.077 5.655 4.472 1.00 0.00 H new ATOM 1171 N ASP A 77 -12.819 3.565 5.594 1.00 0.00 N ATOM 1172 CA ASP A 77 -12.562 2.134 5.474 1.00 0.00 C ATOM 1173 C ASP A 77 -13.088 1.597 4.147 1.00 0.00 C ATOM 1174 O ASP A 77 -14.295 1.577 3.908 1.00 0.00 O ATOM 1175 CB ASP A 77 -13.210 1.379 6.636 1.00 0.00 C ATOM 1176 CG ASP A 77 -14.706 1.217 6.459 1.00 0.00 C ATOM 1177 OD1 ASP A 77 -15.402 2.244 6.315 1.00 0.00 O ATOM 1178 OD2 ASP A 77 -15.182 0.063 6.464 1.00 0.00 O ATOM 0 H ASP A 77 -13.623 3.802 6.176 1.00 0.00 H new ATOM 0 HA ASP A 77 -11.483 1.980 5.506 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -12.749 0.395 6.728 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -13.013 1.912 7.566 1.00 0.00 H new ATOM 1183 N PHE A 78 -12.173 1.165 3.285 1.00 0.00 N ATOM 1184 CA PHE A 78 -12.544 0.630 1.981 1.00 0.00 C ATOM 1185 C PHE A 78 -12.474 -0.895 1.978 1.00 0.00 C ATOM 1186 O PHE A 78 -11.437 -1.494 2.263 1.00 0.00 O ATOM 1187 CB PHE A 78 -11.626 1.195 0.894 1.00 0.00 C ATOM 1188 CG PHE A 78 -11.331 2.658 1.061 1.00 0.00 C ATOM 1189 CD1 PHE A 78 -12.339 3.601 0.939 1.00 0.00 C ATOM 1190 CD2 PHE A 78 -10.045 3.092 1.340 1.00 0.00 C ATOM 1191 CE1 PHE A 78 -12.071 4.948 1.092 1.00 0.00 C ATOM 1192 CE2 PHE A 78 -9.770 4.437 1.494 1.00 0.00 C ATOM 1193 CZ PHE A 78 -10.785 5.367 1.369 1.00 0.00 C ATOM 0 H PHE A 78 -11.169 1.175 3.467 1.00 0.00 H new ATOM 0 HA PHE A 78 -13.571 0.930 1.773 1.00 0.00 H new ATOM 0 HB2 PHE A 78 -10.688 0.640 0.897 1.00 0.00 H new ATOM 0 HB3 PHE A 78 -12.088 1.034 -0.080 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -13.347 3.279 0.722 1.00 0.00 H new ATOM 0 HD2 PHE A 78 -9.248 2.370 1.438 1.00 0.00 H new ATOM 0 HE1 PHE A 78 -12.866 5.672 0.995 1.00 0.00 H new ATOM 0 HE2 PHE A 78 -8.763 4.762 1.712 1.00 0.00 H new ATOM 0 HZ PHE A 78 -10.572 6.419 1.488 1.00 0.00 H new ATOM 1203 N PRO A 79 -13.604 -1.538 1.650 1.00 0.00 N ATOM 1204 CA PRO A 79 -13.698 -3.000 1.602 1.00 0.00 C ATOM 1205 C PRO A 79 -12.907 -3.594 0.442 1.00 0.00 C ATOM 1206 O PRO A 79 -12.975 -3.101 -0.685 1.00 0.00 O ATOM 1207 CB PRO A 79 -15.196 -3.253 1.414 1.00 0.00 C ATOM 1208 CG PRO A 79 -15.710 -2.017 0.760 1.00 0.00 C ATOM 1209 CD PRO A 79 -14.878 -0.887 1.299 1.00 0.00 C ATOM 0 HA PRO A 79 -13.282 -3.465 2.496 1.00 0.00 H new ATOM 0 HB2 PRO A 79 -15.374 -4.132 0.795 1.00 0.00 H new ATOM 0 HB3 PRO A 79 -15.690 -3.430 2.369 1.00 0.00 H new ATOM 0 HG2 PRO A 79 -15.622 -2.084 -0.324 1.00 0.00 H new ATOM 0 HG3 PRO A 79 -16.766 -1.866 0.985 1.00 0.00 H new ATOM 0 HD2 PRO A 79 -14.737 -0.102 0.556 1.00 0.00 H new ATOM 0 HD3 PRO A 79 -15.345 -0.423 2.168 1.00 0.00 H new ATOM 1217 N CYS A 80 -12.159 -4.654 0.724 1.00 0.00 N ATOM 1218 CA CYS A 80 -11.354 -5.316 -0.298 1.00 0.00 C ATOM 1219 C CYS A 80 -12.130 -6.457 -0.946 1.00 0.00 C ATOM 1220 O CYS A 80 -13.156 -6.895 -0.428 1.00 0.00 O ATOM 1221 CB CYS A 80 -10.056 -5.847 0.311 1.00 0.00 C ATOM 1222 SG CYS A 80 -8.751 -4.605 0.468 1.00 0.00 S ATOM 0 H CYS A 80 -12.092 -5.074 1.651 1.00 0.00 H new ATOM 0 HA CYS A 80 -11.112 -4.582 -1.067 1.00 0.00 H new ATOM 0 HB2 CYS A 80 -10.272 -6.258 1.297 1.00 0.00 H new ATOM 0 HB3 CYS A 80 -9.689 -6.669 -0.304 1.00 0.00 H new ATOM 0 HG CYS A 80 -7.635 -5.187 0.793 1.00 0.00 H new ATOM 1228 N GLN A 81 -11.634 -6.932 -2.084 1.00 0.00 N ATOM 1229 CA GLN A 81 -12.283 -8.020 -2.805 1.00 0.00 C ATOM 1230 C GLN A 81 -11.338 -9.207 -2.965 1.00 0.00 C ATOM 1231 O GLN A 81 -10.157 -9.122 -2.628 1.00 0.00 O ATOM 1232 CB GLN A 81 -12.755 -7.541 -4.179 1.00 0.00 C ATOM 1233 CG GLN A 81 -11.656 -6.895 -5.008 1.00 0.00 C ATOM 1234 CD GLN A 81 -12.003 -6.825 -6.482 1.00 0.00 C ATOM 1235 OE1 GLN A 81 -11.006 -7.028 -7.336 1.00 0.00 O flip ATOM 1236 NE2 GLN A 81 -13.155 -6.590 -6.851 1.00 0.00 N flip ATOM 0 H GLN A 81 -10.785 -6.580 -2.526 1.00 0.00 H new ATOM 0 HA GLN A 81 -13.147 -8.342 -2.224 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -13.164 -8.388 -4.730 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -13.567 -6.826 -4.046 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -11.468 -5.888 -4.634 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -10.732 -7.459 -4.882 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -13.891 -6.440 -6.161 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -13.373 -6.545 -7.847 1.00 0.00 H new ATOM 1245 N TYR A 82 -11.866 -10.312 -3.479 1.00 0.00 N ATOM 1246 CA TYR A 82 -11.070 -11.517 -3.681 1.00 0.00 C ATOM 1247 C TYR A 82 -10.704 -11.688 -5.152 1.00 0.00 C ATOM 1248 O TYR A 82 -11.557 -11.584 -6.033 1.00 0.00 O ATOM 1249 CB TYR A 82 -11.835 -12.747 -3.188 1.00 0.00 C ATOM 1250 CG TYR A 82 -11.085 -14.045 -3.385 1.00 0.00 C ATOM 1251 CD1 TYR A 82 -10.810 -14.525 -4.659 1.00 0.00 C ATOM 1252 CD2 TYR A 82 -10.651 -14.791 -2.296 1.00 0.00 C ATOM 1253 CE1 TYR A 82 -10.126 -15.711 -4.843 1.00 0.00 C ATOM 1254 CE2 TYR A 82 -9.966 -15.978 -2.471 1.00 0.00 C ATOM 1255 CZ TYR A 82 -9.706 -16.433 -3.746 1.00 0.00 C ATOM 1256 OH TYR A 82 -9.023 -17.615 -3.926 1.00 0.00 O ATOM 0 H TYR A 82 -12.842 -10.398 -3.763 1.00 0.00 H new ATOM 0 HA TYR A 82 -10.150 -11.415 -3.106 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -12.060 -12.624 -2.129 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -12.789 -12.805 -3.712 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -11.136 -13.961 -5.520 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -10.853 -14.437 -1.296 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -9.921 -16.071 -5.841 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -9.636 -16.546 -1.614 1.00 0.00 H new ATOM 0 HH TYR A 82 -8.798 -17.999 -3.053 1.00 0.00 H new ATOM 1266 N VAL A 83 -9.427 -11.952 -5.410 1.00 0.00 N ATOM 1267 CA VAL A 83 -8.945 -12.140 -6.773 1.00 0.00 C ATOM 1268 C VAL A 83 -8.926 -13.617 -7.151 1.00 0.00 C ATOM 1269 O VAL A 83 -8.009 -14.351 -6.783 1.00 0.00 O ATOM 1270 CB VAL A 83 -7.531 -11.556 -6.955 1.00 0.00 C ATOM 1271 CG1 VAL A 83 -7.015 -11.835 -8.358 1.00 0.00 C ATOM 1272 CG2 VAL A 83 -7.531 -10.063 -6.665 1.00 0.00 C ATOM 0 H VAL A 83 -8.707 -12.041 -4.692 1.00 0.00 H new ATOM 0 HA VAL A 83 -9.636 -11.609 -7.428 1.00 0.00 H new ATOM 0 HB VAL A 83 -6.862 -12.041 -6.245 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -6.015 -11.415 -8.468 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -6.977 -12.912 -8.524 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -7.683 -11.378 -9.089 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -6.524 -9.666 -6.798 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -8.213 -9.559 -7.350 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -7.855 -9.892 -5.639 1.00 0.00 H new ATOM 1415 N ASP A 93 -4.932 -16.598 -0.026 1.00 0.00 N ATOM 1416 CA ASP A 93 -6.014 -15.716 -0.447 1.00 0.00 C ATOM 1417 C ASP A 93 -5.483 -14.326 -0.781 1.00 0.00 C ATOM 1418 O ASP A 93 -5.136 -13.551 0.111 1.00 0.00 O ATOM 1419 CB ASP A 93 -7.078 -15.620 0.649 1.00 0.00 C ATOM 1420 CG ASP A 93 -7.983 -16.835 0.685 1.00 0.00 C ATOM 1421 OD1 ASP A 93 -7.456 -17.967 0.705 1.00 0.00 O ATOM 1422 OD2 ASP A 93 -9.219 -16.655 0.692 1.00 0.00 O ATOM 0 HA ASP A 93 -6.465 -16.138 -1.345 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -6.589 -15.506 1.617 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -7.681 -14.726 0.489 1.00 0.00 H new ATOM 1427 N THR A 94 -5.421 -14.016 -2.072 1.00 0.00 N ATOM 1428 CA THR A 94 -4.930 -12.720 -2.524 1.00 0.00 C ATOM 1429 C THR A 94 -6.077 -11.734 -2.716 1.00 0.00 C ATOM 1430 O THR A 94 -6.856 -11.849 -3.662 1.00 0.00 O ATOM 1431 CB THR A 94 -4.150 -12.846 -3.847 1.00 0.00 C ATOM 1432 OG1 THR A 94 -3.118 -13.830 -3.715 1.00 0.00 O ATOM 1433 CG2 THR A 94 -3.538 -11.511 -4.242 1.00 0.00 C ATOM 0 H THR A 94 -5.705 -14.645 -2.823 1.00 0.00 H new ATOM 0 HA THR A 94 -4.260 -12.348 -1.749 1.00 0.00 H new ATOM 0 HB THR A 94 -4.846 -13.154 -4.627 1.00 0.00 H new ATOM 0 HG1 THR A 94 -2.628 -13.906 -4.560 1.00 0.00 H new ATOM 0 HG21 THR A 94 -2.992 -11.624 -5.179 1.00 0.00 H new ATOM 0 HG22 THR A 94 -4.329 -10.772 -4.370 1.00 0.00 H new ATOM 0 HG23 THR A 94 -2.854 -11.179 -3.461 1.00 0.00 H new ATOM 1441 N PHE A 95 -6.174 -10.765 -1.812 1.00 0.00 N ATOM 1442 CA PHE A 95 -7.227 -9.758 -1.881 1.00 0.00 C ATOM 1443 C PHE A 95 -6.740 -8.512 -2.615 1.00 0.00 C ATOM 1444 O PHE A 95 -5.597 -8.086 -2.447 1.00 0.00 O ATOM 1445 CB PHE A 95 -7.697 -9.383 -0.474 1.00 0.00 C ATOM 1446 CG PHE A 95 -8.280 -10.538 0.290 1.00 0.00 C ATOM 1447 CD1 PHE A 95 -7.457 -11.426 0.963 1.00 0.00 C ATOM 1448 CD2 PHE A 95 -9.651 -10.734 0.335 1.00 0.00 C ATOM 1449 CE1 PHE A 95 -7.990 -12.489 1.667 1.00 0.00 C ATOM 1450 CE2 PHE A 95 -10.189 -11.795 1.038 1.00 0.00 C ATOM 1451 CZ PHE A 95 -9.358 -12.674 1.704 1.00 0.00 C ATOM 0 H PHE A 95 -5.537 -10.656 -1.023 1.00 0.00 H new ATOM 0 HA PHE A 95 -8.064 -10.182 -2.435 1.00 0.00 H new ATOM 0 HB2 PHE A 95 -6.855 -8.975 0.085 1.00 0.00 H new ATOM 0 HB3 PHE A 95 -8.444 -8.592 -0.547 1.00 0.00 H new ATOM 0 HD1 PHE A 95 -6.386 -11.286 0.937 1.00 0.00 H new ATOM 0 HD2 PHE A 95 -10.306 -10.050 -0.185 1.00 0.00 H new ATOM 0 HE1 PHE A 95 -7.337 -13.174 2.188 1.00 0.00 H new ATOM 0 HE2 PHE A 95 -11.259 -11.937 1.067 1.00 0.00 H new ATOM 0 HZ PHE A 95 -9.777 -13.504 2.253 1.00 0.00 H new ATOM 1461 N SER A 96 -7.615 -7.933 -3.431 1.00 0.00 N ATOM 1462 CA SER A 96 -7.274 -6.739 -4.195 1.00 0.00 C ATOM 1463 C SER A 96 -8.043 -5.526 -3.679 1.00 0.00 C ATOM 1464 O SER A 96 -9.145 -5.655 -3.147 1.00 0.00 O ATOM 1465 CB SER A 96 -7.575 -6.953 -5.679 1.00 0.00 C ATOM 1466 OG SER A 96 -7.282 -5.790 -6.433 1.00 0.00 O ATOM 0 H SER A 96 -8.566 -8.272 -3.580 1.00 0.00 H new ATOM 0 HA SER A 96 -6.207 -6.552 -4.071 1.00 0.00 H new ATOM 0 HB2 SER A 96 -6.988 -7.791 -6.055 1.00 0.00 H new ATOM 0 HB3 SER A 96 -8.625 -7.217 -5.806 1.00 0.00 H new ATOM 0 HG SER A 96 -7.482 -5.954 -7.378 1.00 0.00 H new ATOM 1472 N PHE A 97 -7.452 -4.346 -3.840 1.00 0.00 N ATOM 1473 CA PHE A 97 -8.079 -3.109 -3.390 1.00 0.00 C ATOM 1474 C PHE A 97 -7.963 -2.022 -4.454 1.00 0.00 C ATOM 1475 O PHE A 97 -6.908 -1.844 -5.063 1.00 0.00 O ATOM 1476 CB PHE A 97 -7.437 -2.632 -2.086 1.00 0.00 C ATOM 1477 CG PHE A 97 -6.063 -2.053 -2.271 1.00 0.00 C ATOM 1478 CD1 PHE A 97 -5.897 -0.796 -2.831 1.00 0.00 C ATOM 1479 CD2 PHE A 97 -4.939 -2.764 -1.884 1.00 0.00 C ATOM 1480 CE1 PHE A 97 -4.634 -0.262 -3.003 1.00 0.00 C ATOM 1481 CE2 PHE A 97 -3.674 -2.234 -2.053 1.00 0.00 C ATOM 1482 CZ PHE A 97 -3.521 -0.981 -2.612 1.00 0.00 C ATOM 0 H PHE A 97 -6.540 -4.221 -4.279 1.00 0.00 H new ATOM 0 HA PHE A 97 -9.136 -3.310 -3.215 1.00 0.00 H new ATOM 0 HB2 PHE A 97 -8.080 -1.881 -1.627 1.00 0.00 H new ATOM 0 HB3 PHE A 97 -7.379 -3.470 -1.391 1.00 0.00 H new ATOM 0 HD1 PHE A 97 -6.764 -0.228 -3.136 1.00 0.00 H new ATOM 0 HD2 PHE A 97 -5.053 -3.744 -1.445 1.00 0.00 H new ATOM 0 HE1 PHE A 97 -4.517 0.717 -3.443 1.00 0.00 H new ATOM 0 HE2 PHE A 97 -2.806 -2.799 -1.748 1.00 0.00 H new ATOM 0 HZ PHE A 97 -2.534 -0.564 -2.743 1.00 0.00 H new ATOM 1492 N ASP A 98 -9.056 -1.299 -4.674 1.00 0.00 N ATOM 1493 CA ASP A 98 -9.078 -0.229 -5.664 1.00 0.00 C ATOM 1494 C ASP A 98 -9.749 1.019 -5.100 1.00 0.00 C ATOM 1495 O ASP A 98 -10.976 1.127 -5.094 1.00 0.00 O ATOM 1496 CB ASP A 98 -9.808 -0.689 -6.927 1.00 0.00 C ATOM 1497 CG ASP A 98 -11.279 -0.961 -6.679 1.00 0.00 C ATOM 1498 OD1 ASP A 98 -11.588 -1.874 -5.885 1.00 0.00 O ATOM 1499 OD2 ASP A 98 -12.120 -0.260 -7.278 1.00 0.00 O ATOM 0 H ASP A 98 -9.938 -1.435 -4.180 1.00 0.00 H new ATOM 0 HA ASP A 98 -8.047 0.018 -5.919 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -9.708 0.074 -7.699 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -9.334 -1.593 -7.308 1.00 0.00 H new ATOM 1504 N ILE A 99 -8.937 1.959 -4.627 1.00 0.00 N ATOM 1505 CA ILE A 99 -9.453 3.199 -4.061 1.00 0.00 C ATOM 1506 C ILE A 99 -9.454 4.318 -5.097 1.00 0.00 C ATOM 1507 O ILE A 99 -8.591 4.366 -5.974 1.00 0.00 O ATOM 1508 CB ILE A 99 -8.628 3.646 -2.840 1.00 0.00 C ATOM 1509 CG1 ILE A 99 -8.788 2.645 -1.694 1.00 0.00 C ATOM 1510 CG2 ILE A 99 -9.051 5.039 -2.396 1.00 0.00 C ATOM 1511 CD1 ILE A 99 -7.626 2.644 -0.726 1.00 0.00 C ATOM 0 H ILE A 99 -7.920 1.885 -4.625 1.00 0.00 H new ATOM 0 HA ILE A 99 -10.477 2.999 -3.745 1.00 0.00 H new ATOM 0 HB ILE A 99 -7.576 3.680 -3.124 1.00 0.00 H new ATOM 0 HG12 ILE A 99 -9.704 2.872 -1.149 1.00 0.00 H new ATOM 0 HG13 ILE A 99 -8.905 1.644 -2.110 1.00 0.00 H new ATOM 0 HG21 ILE A 99 -8.459 5.341 -1.532 1.00 0.00 H new ATOM 0 HG22 ILE A 99 -8.890 5.745 -3.211 1.00 0.00 H new ATOM 0 HG23 ILE A 99 -10.107 5.030 -2.127 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -7.808 1.911 0.060 1.00 0.00 H new ATOM 0 HD12 ILE A 99 -6.710 2.387 -1.258 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -7.522 3.634 -0.282 1.00 0.00 H new ATOM 1523 N SER A 100 -10.426 5.217 -4.989 1.00 0.00 N ATOM 1524 CA SER A 100 -10.541 6.335 -5.918 1.00 0.00 C ATOM 1525 C SER A 100 -9.940 7.603 -5.319 1.00 0.00 C ATOM 1526 O SER A 100 -10.420 8.112 -4.305 1.00 0.00 O ATOM 1527 CB SER A 100 -12.007 6.575 -6.282 1.00 0.00 C ATOM 1528 OG SER A 100 -12.803 6.728 -5.120 1.00 0.00 O ATOM 0 H SER A 100 -11.146 5.193 -4.267 1.00 0.00 H new ATOM 0 HA SER A 100 -9.987 6.082 -6.822 1.00 0.00 H new ATOM 0 HB2 SER A 100 -12.089 7.467 -6.903 1.00 0.00 H new ATOM 0 HB3 SER A 100 -12.379 5.739 -6.874 1.00 0.00 H new ATOM 0 HG SER A 100 -12.286 7.191 -4.428 1.00 0.00 H new ATOM 1534 N LEU A 101 -8.888 8.108 -5.952 1.00 0.00 N ATOM 1535 CA LEU A 101 -8.220 9.317 -5.483 1.00 0.00 C ATOM 1536 C LEU A 101 -9.200 10.483 -5.399 1.00 0.00 C ATOM 1537 O LEU A 101 -10.207 10.532 -6.105 1.00 0.00 O ATOM 1538 CB LEU A 101 -7.060 9.677 -6.414 1.00 0.00 C ATOM 1539 CG LEU A 101 -5.904 8.677 -6.463 1.00 0.00 C ATOM 1540 CD1 LEU A 101 -4.868 9.110 -7.488 1.00 0.00 C ATOM 1541 CD2 LEU A 101 -5.269 8.529 -5.089 1.00 0.00 C ATOM 0 H LEU A 101 -8.479 7.699 -6.792 1.00 0.00 H new ATOM 0 HA LEU A 101 -7.829 9.122 -4.484 1.00 0.00 H new ATOM 0 HB2 LEU A 101 -7.454 9.796 -7.423 1.00 0.00 H new ATOM 0 HB3 LEU A 101 -6.664 10.646 -6.110 1.00 0.00 H new ATOM 0 HG LEU A 101 -6.299 7.707 -6.764 1.00 0.00 H new ATOM 0 HD11 LEU A 101 -4.053 8.387 -7.509 1.00 0.00 H new ATOM 0 HD12 LEU A 101 -5.331 9.164 -8.473 1.00 0.00 H new ATOM 0 HD13 LEU A 101 -4.476 10.090 -7.217 1.00 0.00 H new ATOM 0 HD21 LEU A 101 -4.448 7.814 -5.143 1.00 0.00 H new ATOM 0 HD22 LEU A 101 -4.887 9.495 -4.759 1.00 0.00 H new ATOM 0 HD23 LEU A 101 -6.016 8.172 -4.380 1.00 0.00 H new ATOM 1553 N PRO A 102 -8.899 11.446 -4.515 1.00 0.00 N ATOM 1554 CA PRO A 102 -9.740 12.631 -4.320 1.00 0.00 C ATOM 1555 C PRO A 102 -9.695 13.577 -5.515 1.00 0.00 C ATOM 1556 O PRO A 102 -8.789 13.502 -6.343 1.00 0.00 O ATOM 1557 CB PRO A 102 -9.129 13.300 -3.086 1.00 0.00 C ATOM 1558 CG PRO A 102 -7.710 12.846 -3.072 1.00 0.00 C ATOM 1559 CD PRO A 102 -7.715 11.453 -3.640 1.00 0.00 C ATOM 0 HA PRO A 102 -10.792 12.370 -4.204 1.00 0.00 H new ATOM 0 HB2 PRO A 102 -9.196 14.386 -3.150 1.00 0.00 H new ATOM 0 HB3 PRO A 102 -9.649 13.002 -2.176 1.00 0.00 H new ATOM 0 HG2 PRO A 102 -7.082 13.508 -3.668 1.00 0.00 H new ATOM 0 HG3 PRO A 102 -7.308 12.853 -2.059 1.00 0.00 H new ATOM 0 HD2 PRO A 102 -6.802 11.243 -4.197 1.00 0.00 H new ATOM 0 HD3 PRO A 102 -7.790 10.700 -2.856 1.00 0.00 H new ATOM 1687 N ARG A 110 -0.303 15.775 4.607 1.00 0.00 N ATOM 1688 CA ARG A 110 0.233 14.426 4.472 1.00 0.00 C ATOM 1689 C ARG A 110 -0.849 13.456 4.005 1.00 0.00 C ATOM 1690 O ARG A 110 -2.032 13.648 4.287 1.00 0.00 O ATOM 1691 CB ARG A 110 0.819 13.951 5.803 1.00 0.00 C ATOM 1692 CG ARG A 110 1.867 12.861 5.652 1.00 0.00 C ATOM 1693 CD ARG A 110 3.258 13.447 5.464 1.00 0.00 C ATOM 1694 NE ARG A 110 4.153 12.523 4.773 1.00 0.00 N ATOM 1695 CZ ARG A 110 5.477 12.613 4.816 1.00 0.00 C ATOM 1696 NH1 ARG A 110 6.057 13.579 5.513 1.00 0.00 N ATOM 1697 NH2 ARG A 110 6.224 11.733 4.160 1.00 0.00 N ATOM 0 HA ARG A 110 1.024 14.450 3.723 1.00 0.00 H new ATOM 0 HB2 ARG A 110 1.264 14.802 6.319 1.00 0.00 H new ATOM 0 HB3 ARG A 110 0.011 13.582 6.435 1.00 0.00 H new ATOM 0 HG2 ARG A 110 1.857 12.221 6.534 1.00 0.00 H new ATOM 0 HG3 ARG A 110 1.618 12.231 4.798 1.00 0.00 H new ATOM 0 HD2 ARG A 110 3.187 14.375 4.897 1.00 0.00 H new ATOM 0 HD3 ARG A 110 3.679 13.700 6.437 1.00 0.00 H new ATOM 0 HE ARG A 110 3.738 11.767 4.228 1.00 0.00 H new ATOM 0 HH11 ARG A 110 5.486 14.256 6.019 1.00 0.00 H new ATOM 0 HH12 ARG A 110 7.074 13.645 5.544 1.00 0.00 H new ATOM 0 HH21 ARG A 110 5.781 10.988 3.623 1.00 0.00 H new ATOM 0 HH22 ARG A 110 7.241 11.802 4.193 1.00 0.00 H new ATOM 1711 N MET A 111 -0.435 12.415 3.290 1.00 0.00 N ATOM 1712 CA MET A 111 -1.369 11.415 2.785 1.00 0.00 C ATOM 1713 C MET A 111 -0.731 10.029 2.781 1.00 0.00 C ATOM 1714 O MET A 111 0.234 9.783 2.058 1.00 0.00 O ATOM 1715 CB MET A 111 -1.827 11.782 1.372 1.00 0.00 C ATOM 1716 CG MET A 111 -2.600 10.673 0.677 1.00 0.00 C ATOM 1717 SD MET A 111 -3.226 11.171 -0.939 1.00 0.00 S ATOM 1718 CE MET A 111 -1.695 11.393 -1.841 1.00 0.00 C ATOM 0 H MET A 111 0.540 12.242 3.047 1.00 0.00 H new ATOM 0 HA MET A 111 -2.235 11.395 3.447 1.00 0.00 H new ATOM 0 HB2 MET A 111 -2.452 12.674 1.422 1.00 0.00 H new ATOM 0 HB3 MET A 111 -0.954 12.037 0.771 1.00 0.00 H new ATOM 0 HG2 MET A 111 -1.954 9.803 0.560 1.00 0.00 H new ATOM 0 HG3 MET A 111 -3.435 10.367 1.307 1.00 0.00 H new ATOM 0 HE1 MET A 111 -1.649 12.408 -2.236 1.00 0.00 H new ATOM 0 HE2 MET A 111 -0.851 11.225 -1.172 1.00 0.00 H new ATOM 0 HE3 MET A 111 -1.652 10.681 -2.665 1.00 0.00 H new ATOM 1728 N GLU A 112 -1.278 9.129 3.593 1.00 0.00 N ATOM 1729 CA GLU A 112 -0.760 7.769 3.682 1.00 0.00 C ATOM 1730 C GLU A 112 -1.880 6.781 3.997 1.00 0.00 C ATOM 1731 O GLU A 112 -2.994 7.176 4.339 1.00 0.00 O ATOM 1732 CB GLU A 112 0.327 7.683 4.755 1.00 0.00 C ATOM 1733 CG GLU A 112 1.453 8.684 4.562 1.00 0.00 C ATOM 1734 CD GLU A 112 2.691 8.333 5.365 1.00 0.00 C ATOM 1735 OE1 GLU A 112 3.312 7.291 5.071 1.00 0.00 O ATOM 1736 OE2 GLU A 112 3.037 9.100 6.288 1.00 0.00 O ATOM 0 H GLU A 112 -2.078 9.317 4.197 1.00 0.00 H new ATOM 0 HA GLU A 112 -0.328 7.507 2.716 1.00 0.00 H new ATOM 0 HB2 GLU A 112 -0.126 7.843 5.733 1.00 0.00 H new ATOM 0 HB3 GLU A 112 0.744 6.676 4.758 1.00 0.00 H new ATOM 0 HG2 GLU A 112 1.713 8.733 3.505 1.00 0.00 H new ATOM 0 HG3 GLU A 112 1.106 9.676 4.852 1.00 0.00 H new ATOM 1743 N PHE A 113 -1.575 5.493 3.878 1.00 0.00 N ATOM 1744 CA PHE A 113 -2.555 4.447 4.148 1.00 0.00 C ATOM 1745 C PHE A 113 -1.916 3.285 4.903 1.00 0.00 C ATOM 1746 O PHE A 113 -0.696 3.127 4.903 1.00 0.00 O ATOM 1747 CB PHE A 113 -3.169 3.944 2.839 1.00 0.00 C ATOM 1748 CG PHE A 113 -2.278 3.001 2.083 1.00 0.00 C ATOM 1749 CD1 PHE A 113 -2.144 1.681 2.484 1.00 0.00 C ATOM 1750 CD2 PHE A 113 -1.573 3.434 0.971 1.00 0.00 C ATOM 1751 CE1 PHE A 113 -1.325 0.811 1.789 1.00 0.00 C ATOM 1752 CE2 PHE A 113 -0.754 2.568 0.273 1.00 0.00 C ATOM 1753 CZ PHE A 113 -0.628 1.255 0.683 1.00 0.00 C ATOM 0 H PHE A 113 -0.657 5.148 3.596 1.00 0.00 H new ATOM 0 HA PHE A 113 -3.342 4.873 4.771 1.00 0.00 H new ATOM 0 HB2 PHE A 113 -4.112 3.443 3.058 1.00 0.00 H new ATOM 0 HB3 PHE A 113 -3.402 4.799 2.204 1.00 0.00 H new ATOM 0 HD1 PHE A 113 -2.686 1.328 3.349 1.00 0.00 H new ATOM 0 HD2 PHE A 113 -1.665 4.460 0.647 1.00 0.00 H new ATOM 0 HE1 PHE A 113 -1.230 -0.216 2.111 1.00 0.00 H new ATOM 0 HE2 PHE A 113 -0.212 2.918 -0.593 1.00 0.00 H new ATOM 0 HZ PHE A 113 0.014 0.577 0.140 1.00 0.00 H new ATOM 1763 N ALA A 114 -2.751 2.475 5.545 1.00 0.00 N ATOM 1764 CA ALA A 114 -2.269 1.327 6.303 1.00 0.00 C ATOM 1765 C ALA A 114 -3.209 0.135 6.151 1.00 0.00 C ATOM 1766 O ALA A 114 -4.430 0.285 6.193 1.00 0.00 O ATOM 1767 CB ALA A 114 -2.111 1.692 7.771 1.00 0.00 C ATOM 0 H ALA A 114 -3.764 2.592 5.555 1.00 0.00 H new ATOM 0 HA ALA A 114 -1.295 1.043 5.904 1.00 0.00 H new ATOM 0 HB1 ALA A 114 -1.750 0.825 8.325 1.00 0.00 H new ATOM 0 HB2 ALA A 114 -1.395 2.508 7.868 1.00 0.00 H new ATOM 0 HB3 ALA A 114 -3.074 2.005 8.174 1.00 0.00 H new ATOM 1773 N VAL A 115 -2.632 -1.049 5.974 1.00 0.00 N ATOM 1774 CA VAL A 115 -3.418 -2.267 5.816 1.00 0.00 C ATOM 1775 C VAL A 115 -3.962 -2.747 7.156 1.00 0.00 C ATOM 1776 O VAL A 115 -3.245 -2.770 8.157 1.00 0.00 O ATOM 1777 CB VAL A 115 -2.584 -3.395 5.179 1.00 0.00 C ATOM 1778 CG1 VAL A 115 -3.418 -4.658 5.034 1.00 0.00 C ATOM 1779 CG2 VAL A 115 -2.032 -2.952 3.832 1.00 0.00 C ATOM 0 H VAL A 115 -1.623 -1.191 5.936 1.00 0.00 H new ATOM 0 HA VAL A 115 -4.250 -2.023 5.155 1.00 0.00 H new ATOM 0 HB VAL A 115 -1.743 -3.618 5.835 1.00 0.00 H new ATOM 0 HG11 VAL A 115 -2.813 -5.444 4.582 1.00 0.00 H new ATOM 0 HG12 VAL A 115 -3.760 -4.983 6.017 1.00 0.00 H new ATOM 0 HG13 VAL A 115 -4.280 -4.454 4.399 1.00 0.00 H new ATOM 0 HG21 VAL A 115 -1.445 -3.760 3.396 1.00 0.00 H new ATOM 0 HG22 VAL A 115 -2.857 -2.702 3.165 1.00 0.00 H new ATOM 0 HG23 VAL A 115 -1.398 -2.076 3.969 1.00 0.00 H new ATOM 1789 N TYR A 116 -5.234 -3.131 7.169 1.00 0.00 N ATOM 1790 CA TYR A 116 -5.876 -3.610 8.387 1.00 0.00 C ATOM 1791 C TYR A 116 -6.499 -4.985 8.171 1.00 0.00 C ATOM 1792 O TYR A 116 -7.598 -5.103 7.627 1.00 0.00 O ATOM 1793 CB TYR A 116 -6.946 -2.619 8.848 1.00 0.00 C ATOM 1794 CG TYR A 116 -8.092 -3.268 9.591 1.00 0.00 C ATOM 1795 CD1 TYR A 116 -7.908 -3.807 10.858 1.00 0.00 C ATOM 1796 CD2 TYR A 116 -9.360 -3.340 9.027 1.00 0.00 C ATOM 1797 CE1 TYR A 116 -8.951 -4.402 11.540 1.00 0.00 C ATOM 1798 CE2 TYR A 116 -10.410 -3.932 9.702 1.00 0.00 C ATOM 1799 CZ TYR A 116 -10.201 -4.461 10.958 1.00 0.00 C ATOM 1800 OH TYR A 116 -11.243 -5.051 11.635 1.00 0.00 O ATOM 0 H TYR A 116 -5.841 -3.120 6.349 1.00 0.00 H new ATOM 0 HA TYR A 116 -5.112 -3.696 9.160 1.00 0.00 H new ATOM 0 HB2 TYR A 116 -6.483 -1.871 9.492 1.00 0.00 H new ATOM 0 HB3 TYR A 116 -7.340 -2.092 7.979 1.00 0.00 H new ATOM 0 HD1 TYR A 116 -6.932 -3.760 11.318 1.00 0.00 H new ATOM 0 HD2 TYR A 116 -9.528 -2.926 8.044 1.00 0.00 H new ATOM 0 HE1 TYR A 116 -8.789 -4.819 12.523 1.00 0.00 H new ATOM 0 HE2 TYR A 116 -11.389 -3.980 9.248 1.00 0.00 H new ATOM 0 HH TYR A 116 -12.055 -5.009 11.087 1.00 0.00 H new ATOM 1810 N TYR A 117 -5.790 -6.023 8.600 1.00 0.00 N ATOM 1811 CA TYR A 117 -6.271 -7.391 8.452 1.00 0.00 C ATOM 1812 C TYR A 117 -6.729 -7.956 9.794 1.00 0.00 C ATOM 1813 O TYR A 117 -5.912 -8.252 10.665 1.00 0.00 O ATOM 1814 CB TYR A 117 -5.175 -8.279 7.861 1.00 0.00 C ATOM 1815 CG TYR A 117 -5.481 -9.757 7.945 1.00 0.00 C ATOM 1816 CD1 TYR A 117 -6.643 -10.279 7.392 1.00 0.00 C ATOM 1817 CD2 TYR A 117 -4.606 -10.632 8.578 1.00 0.00 C ATOM 1818 CE1 TYR A 117 -6.927 -11.628 7.467 1.00 0.00 C ATOM 1819 CE2 TYR A 117 -4.881 -11.984 8.657 1.00 0.00 C ATOM 1820 CZ TYR A 117 -6.043 -12.477 8.100 1.00 0.00 C ATOM 1821 OH TYR A 117 -6.321 -13.822 8.177 1.00 0.00 O ATOM 0 H TYR A 117 -4.880 -5.943 9.053 1.00 0.00 H new ATOM 0 HA TYR A 117 -7.124 -7.377 7.773 1.00 0.00 H new ATOM 0 HB2 TYR A 117 -5.023 -8.007 6.816 1.00 0.00 H new ATOM 0 HB3 TYR A 117 -4.238 -8.080 8.382 1.00 0.00 H new ATOM 0 HD1 TYR A 117 -7.337 -9.618 6.894 1.00 0.00 H new ATOM 0 HD2 TYR A 117 -3.696 -10.249 9.015 1.00 0.00 H new ATOM 0 HE1 TYR A 117 -7.836 -12.016 7.032 1.00 0.00 H new ATOM 0 HE2 TYR A 117 -4.190 -12.651 9.152 1.00 0.00 H new ATOM 0 HH TYR A 117 -7.097 -13.963 8.758 1.00 0.00 H new ATOM 1831 N GLU A 118 -8.041 -8.102 9.950 1.00 0.00 N ATOM 1832 CA GLU A 118 -8.608 -8.631 11.185 1.00 0.00 C ATOM 1833 C GLU A 118 -8.918 -10.119 11.048 1.00 0.00 C ATOM 1834 O GLU A 118 -9.490 -10.555 10.048 1.00 0.00 O ATOM 1835 CB GLU A 118 -9.880 -7.866 11.557 1.00 0.00 C ATOM 1836 CG GLU A 118 -10.132 -7.795 13.053 1.00 0.00 C ATOM 1837 CD GLU A 118 -10.764 -9.061 13.599 1.00 0.00 C ATOM 1838 OE1 GLU A 118 -11.753 -9.535 13.000 1.00 0.00 O ATOM 1839 OE2 GLU A 118 -10.272 -9.577 14.624 1.00 0.00 O ATOM 0 H GLU A 118 -8.730 -7.862 9.238 1.00 0.00 H new ATOM 0 HA GLU A 118 -7.871 -8.503 11.977 1.00 0.00 H new ATOM 0 HB2 GLU A 118 -9.814 -6.853 11.160 1.00 0.00 H new ATOM 0 HB3 GLU A 118 -10.734 -8.342 11.075 1.00 0.00 H new ATOM 0 HG2 GLU A 118 -9.189 -7.613 13.568 1.00 0.00 H new ATOM 0 HG3 GLU A 118 -10.782 -6.947 13.268 1.00 0.00 H new ATOM 1846 N CYS A 119 -8.536 -10.892 12.058 1.00 0.00 N ATOM 1847 CA CYS A 119 -8.772 -12.332 12.050 1.00 0.00 C ATOM 1848 C CYS A 119 -8.351 -12.958 13.376 1.00 0.00 C ATOM 1849 O CYS A 119 -7.482 -12.436 14.072 1.00 0.00 O ATOM 1850 CB CYS A 119 -8.011 -12.988 10.898 1.00 0.00 C ATOM 1851 SG CYS A 119 -8.653 -14.608 10.417 1.00 0.00 S ATOM 0 H CYS A 119 -8.062 -10.547 12.892 1.00 0.00 H new ATOM 0 HA CYS A 119 -9.840 -12.500 11.912 1.00 0.00 H new ATOM 0 HB2 CYS A 119 -8.041 -12.326 10.033 1.00 0.00 H new ATOM 0 HB3 CYS A 119 -6.964 -13.094 11.182 1.00 0.00 H new ATOM 0 HG CYS A 119 -9.648 -14.454 9.595 1.00 0.00 H new ATOM 1857 N ASN A 120 -8.975 -14.081 13.718 1.00 0.00 N ATOM 1858 CA ASN A 120 -8.667 -14.778 14.962 1.00 0.00 C ATOM 1859 C ASN A 120 -8.668 -13.811 16.142 1.00 0.00 C ATOM 1860 O ASN A 120 -7.786 -13.860 16.999 1.00 0.00 O ATOM 1861 CB ASN A 120 -7.307 -15.472 14.858 1.00 0.00 C ATOM 1862 CG ASN A 120 -7.399 -16.825 14.180 1.00 0.00 C ATOM 1863 OD1 ASN A 120 -6.979 -16.887 12.922 1.00 0.00 O flip ATOM 1864 ND2 ASN A 120 -7.843 -17.804 14.781 1.00 0.00 N flip ATOM 0 H ASN A 120 -9.696 -14.527 13.152 1.00 0.00 H new ATOM 0 HA ASN A 120 -9.439 -15.529 15.130 1.00 0.00 H new ATOM 0 HB2 ASN A 120 -6.619 -14.836 14.301 1.00 0.00 H new ATOM 0 HB3 ASN A 120 -6.888 -15.597 15.857 1.00 0.00 H new ATOM 0 HD21 ASN A 120 -8.155 -17.711 15.748 1.00 0.00 H new ATOM 0 HD22 ASN A 120 -7.899 -18.708 14.312 1.00 0.00 H new ATOM 1871 N GLY A 121 -9.665 -12.932 16.179 1.00 0.00 N ATOM 1872 CA GLY A 121 -9.762 -11.966 17.258 1.00 0.00 C ATOM 1873 C GLY A 121 -8.499 -11.143 17.416 1.00 0.00 C ATOM 1874 O GLY A 121 -8.108 -10.804 18.532 1.00 0.00 O ATOM 0 H GLY A 121 -10.407 -12.872 15.482 1.00 0.00 H new ATOM 0 HA2 GLY A 121 -10.604 -11.300 17.071 1.00 0.00 H new ATOM 0 HA3 GLY A 121 -9.970 -12.489 18.192 1.00 0.00 H new ATOM 1878 N GLN A 122 -7.860 -10.823 16.295 1.00 0.00 N ATOM 1879 CA GLN A 122 -6.632 -10.036 16.315 1.00 0.00 C ATOM 1880 C GLN A 122 -6.673 -8.937 15.259 1.00 0.00 C ATOM 1881 O GLN A 122 -7.533 -8.939 14.377 1.00 0.00 O ATOM 1882 CB GLN A 122 -5.419 -10.939 16.082 1.00 0.00 C ATOM 1883 CG GLN A 122 -4.993 -11.716 17.317 1.00 0.00 C ATOM 1884 CD GLN A 122 -4.164 -10.882 18.274 1.00 0.00 C ATOM 1885 OE1 GLN A 122 -4.703 -10.122 19.079 1.00 0.00 O ATOM 1886 NE2 GLN A 122 -2.846 -11.021 18.192 1.00 0.00 N ATOM 0 H GLN A 122 -8.172 -11.096 15.363 1.00 0.00 H new ATOM 0 HA GLN A 122 -6.545 -9.569 17.296 1.00 0.00 H new ATOM 0 HB2 GLN A 122 -5.649 -11.642 15.282 1.00 0.00 H new ATOM 0 HB3 GLN A 122 -4.583 -10.329 15.740 1.00 0.00 H new ATOM 0 HG2 GLN A 122 -5.879 -12.082 17.835 1.00 0.00 H new ATOM 0 HG3 GLN A 122 -4.418 -12.590 17.011 1.00 0.00 H new ATOM 0 HE21 GLN A 122 -2.442 -11.663 17.510 1.00 0.00 H new ATOM 0 HE22 GLN A 122 -2.237 -10.486 18.811 1.00 0.00 H new ATOM 1895 N THR A 123 -5.738 -7.997 15.354 1.00 0.00 N ATOM 1896 CA THR A 123 -5.668 -6.890 14.408 1.00 0.00 C ATOM 1897 C THR A 123 -4.228 -6.618 13.986 1.00 0.00 C ATOM 1898 O THR A 123 -3.414 -6.156 14.785 1.00 0.00 O ATOM 1899 CB THR A 123 -6.268 -5.603 15.004 1.00 0.00 C ATOM 1900 OG1 THR A 123 -7.637 -5.821 15.363 1.00 0.00 O ATOM 1901 CG2 THR A 123 -6.176 -4.453 14.012 1.00 0.00 C ATOM 0 H THR A 123 -5.018 -7.980 16.077 1.00 0.00 H new ATOM 0 HA THR A 123 -6.251 -7.183 13.535 1.00 0.00 H new ATOM 0 HB THR A 123 -5.697 -5.341 15.894 1.00 0.00 H new ATOM 0 HG1 THR A 123 -8.011 -4.998 15.743 1.00 0.00 H new ATOM 0 HG21 THR A 123 -6.606 -3.555 14.455 1.00 0.00 H new ATOM 0 HG22 THR A 123 -5.131 -4.270 13.763 1.00 0.00 H new ATOM 0 HG23 THR A 123 -6.725 -4.709 13.106 1.00 0.00 H new ATOM 1909 N TYR A 124 -3.922 -6.907 12.726 1.00 0.00 N ATOM 1910 CA TYR A 124 -2.579 -6.695 12.198 1.00 0.00 C ATOM 1911 C TYR A 124 -2.507 -5.399 11.397 1.00 0.00 C ATOM 1912 O TYR A 124 -3.382 -5.112 10.581 1.00 0.00 O ATOM 1913 CB TYR A 124 -2.162 -7.875 11.319 1.00 0.00 C ATOM 1914 CG TYR A 124 -2.313 -9.218 11.996 1.00 0.00 C ATOM 1915 CD1 TYR A 124 -1.323 -9.710 12.838 1.00 0.00 C ATOM 1916 CD2 TYR A 124 -3.447 -9.996 11.794 1.00 0.00 C ATOM 1917 CE1 TYR A 124 -1.457 -10.937 13.458 1.00 0.00 C ATOM 1918 CE2 TYR A 124 -3.590 -11.224 12.411 1.00 0.00 C ATOM 1919 CZ TYR A 124 -2.592 -11.690 13.242 1.00 0.00 C ATOM 1920 OH TYR A 124 -2.730 -12.912 13.859 1.00 0.00 O ATOM 0 H TYR A 124 -4.585 -7.288 12.051 1.00 0.00 H new ATOM 0 HA TYR A 124 -1.892 -6.618 13.041 1.00 0.00 H new ATOM 0 HB2 TYR A 124 -2.760 -7.868 10.408 1.00 0.00 H new ATOM 0 HB3 TYR A 124 -1.122 -7.744 11.019 1.00 0.00 H new ATOM 0 HD1 TYR A 124 -0.433 -9.123 13.011 1.00 0.00 H new ATOM 0 HD2 TYR A 124 -4.230 -9.634 11.144 1.00 0.00 H new ATOM 0 HE1 TYR A 124 -0.677 -11.305 14.108 1.00 0.00 H new ATOM 0 HE2 TYR A 124 -4.478 -11.816 12.244 1.00 0.00 H new ATOM 0 HH TYR A 124 -3.586 -13.313 13.602 1.00 0.00 H new ATOM 1930 N TRP A 125 -1.458 -4.620 11.638 1.00 0.00 N ATOM 1931 CA TRP A 125 -1.271 -3.354 10.939 1.00 0.00 C ATOM 1932 C TRP A 125 0.039 -3.352 10.158 1.00 0.00 C ATOM 1933 O TRP A 125 1.103 -3.633 10.712 1.00 0.00 O ATOM 1934 CB TRP A 125 -1.288 -2.192 11.933 1.00 0.00 C ATOM 1935 CG TRP A 125 -2.644 -1.926 12.512 1.00 0.00 C ATOM 1936 CD1 TRP A 125 -3.126 -2.370 13.710 1.00 0.00 C ATOM 1937 CD2 TRP A 125 -3.694 -1.155 11.916 1.00 0.00 C ATOM 1938 NE1 TRP A 125 -4.412 -1.923 13.895 1.00 0.00 N ATOM 1939 CE2 TRP A 125 -4.783 -1.174 12.809 1.00 0.00 C ATOM 1940 CE3 TRP A 125 -3.819 -0.449 10.717 1.00 0.00 C ATOM 1941 CZ2 TRP A 125 -5.980 -0.516 12.538 1.00 0.00 C ATOM 1942 CZ3 TRP A 125 -5.007 0.204 10.449 1.00 0.00 C ATOM 1943 CH2 TRP A 125 -6.074 0.167 11.356 1.00 0.00 C ATOM 0 H TRP A 125 -0.725 -4.843 12.311 1.00 0.00 H new ATOM 0 HA TRP A 125 -2.093 -3.232 10.234 1.00 0.00 H new ATOM 0 HB2 TRP A 125 -0.591 -2.406 12.743 1.00 0.00 H new ATOM 0 HB3 TRP A 125 -0.931 -1.291 11.434 1.00 0.00 H new ATOM 0 HD1 TRP A 125 -2.577 -2.983 14.410 1.00 0.00 H new ATOM 0 HE1 TRP A 125 -4.996 -2.117 14.709 1.00 0.00 H new ATOM 0 HE3 TRP A 125 -3.002 -0.414 10.012 1.00 0.00 H new ATOM 0 HZ2 TRP A 125 -6.804 -0.544 13.235 1.00 0.00 H new ATOM 0 HZ3 TRP A 125 -5.115 0.752 9.525 1.00 0.00 H new ATOM 0 HH2 TRP A 125 -6.989 0.688 11.117 1.00 0.00 H new ATOM 1954 N ASP A 126 -0.044 -3.034 8.871 1.00 0.00 N ATOM 1955 CA ASP A 126 1.135 -2.994 8.015 1.00 0.00 C ATOM 1956 C ASP A 126 1.361 -1.589 7.466 1.00 0.00 C ATOM 1957 O ASP A 126 0.715 -1.176 6.504 1.00 0.00 O ATOM 1958 CB ASP A 126 0.989 -3.988 6.862 1.00 0.00 C ATOM 1959 CG ASP A 126 2.286 -4.190 6.103 1.00 0.00 C ATOM 1960 OD1 ASP A 126 3.362 -4.012 6.711 1.00 0.00 O ATOM 1961 OD2 ASP A 126 2.224 -4.526 4.902 1.00 0.00 O ATOM 0 H ASP A 126 -0.917 -2.800 8.397 1.00 0.00 H new ATOM 0 HA ASP A 126 2.000 -3.273 8.617 1.00 0.00 H new ATOM 0 HB2 ASP A 126 0.648 -4.946 7.253 1.00 0.00 H new ATOM 0 HB3 ASP A 126 0.221 -3.633 6.175 1.00 0.00 H new ATOM 1966 N SER A 127 2.283 -0.858 8.086 1.00 0.00 N ATOM 1967 CA SER A 127 2.591 0.503 7.663 1.00 0.00 C ATOM 1968 C SER A 127 4.011 0.592 7.112 1.00 0.00 C ATOM 1969 O SER A 127 4.979 0.644 7.869 1.00 0.00 O ATOM 1970 CB SER A 127 2.423 1.474 8.833 1.00 0.00 C ATOM 1971 OG SER A 127 3.117 1.014 9.980 1.00 0.00 O ATOM 0 H SER A 127 2.829 -1.186 8.883 1.00 0.00 H new ATOM 0 HA SER A 127 1.895 0.777 6.871 1.00 0.00 H new ATOM 0 HB2 SER A 127 2.795 2.458 8.549 1.00 0.00 H new ATOM 0 HB3 SER A 127 1.364 1.588 9.066 1.00 0.00 H new ATOM 0 HG SER A 127 4.005 0.694 9.718 1.00 0.00 H new ATOM 1977 N ASN A 128 4.126 0.610 5.788 1.00 0.00 N ATOM 1978 CA ASN A 128 5.427 0.693 5.135 1.00 0.00 C ATOM 1979 C ASN A 128 6.519 0.099 6.020 1.00 0.00 C ATOM 1980 O ASN A 128 7.604 0.666 6.149 1.00 0.00 O ATOM 1981 CB ASN A 128 5.761 2.148 4.800 1.00 0.00 C ATOM 1982 CG ASN A 128 6.405 2.876 5.964 1.00 0.00 C ATOM 1983 OD1 ASN A 128 6.142 2.566 7.126 1.00 0.00 O ATOM 1984 ND2 ASN A 128 7.252 3.851 5.656 1.00 0.00 N ATOM 0 H ASN A 128 3.334 0.568 5.147 1.00 0.00 H new ATOM 0 HA ASN A 128 5.379 0.116 4.211 1.00 0.00 H new ATOM 0 HB2 ASN A 128 6.432 2.175 3.942 1.00 0.00 H new ATOM 0 HB3 ASN A 128 4.849 2.669 4.508 1.00 0.00 H new ATOM 0 HD21 ASN A 128 7.715 4.378 6.397 1.00 0.00 H new ATOM 0 HD22 ASN A 128 7.440 4.073 4.678 1.00 0.00 H new ATOM 1991 N ARG A 129 6.223 -1.046 6.627 1.00 0.00 N ATOM 1992 CA ARG A 129 7.179 -1.716 7.500 1.00 0.00 C ATOM 1993 C ARG A 129 8.026 -0.700 8.261 1.00 0.00 C ATOM 1994 O ARG A 129 9.254 -0.762 8.241 1.00 0.00 O ATOM 1995 CB ARG A 129 8.084 -2.642 6.685 1.00 0.00 C ATOM 1996 CG ARG A 129 7.332 -3.503 5.684 1.00 0.00 C ATOM 1997 CD ARG A 129 8.234 -3.949 4.544 1.00 0.00 C ATOM 1998 NE ARG A 129 7.610 -4.985 3.725 1.00 0.00 N ATOM 1999 CZ ARG A 129 8.058 -5.345 2.528 1.00 0.00 C ATOM 2000 NH1 ARG A 129 9.128 -4.756 2.012 1.00 0.00 N ATOM 2001 NH2 ARG A 129 7.435 -6.296 1.843 1.00 0.00 N ATOM 0 H ARG A 129 5.330 -1.528 6.530 1.00 0.00 H new ATOM 0 HA ARG A 129 6.619 -2.310 8.222 1.00 0.00 H new ATOM 0 HB2 ARG A 129 8.820 -2.040 6.153 1.00 0.00 H new ATOM 0 HB3 ARG A 129 8.635 -3.290 7.367 1.00 0.00 H new ATOM 0 HG2 ARG A 129 6.923 -4.378 6.190 1.00 0.00 H new ATOM 0 HG3 ARG A 129 6.487 -2.943 5.283 1.00 0.00 H new ATOM 0 HD2 ARG A 129 8.479 -3.091 3.918 1.00 0.00 H new ATOM 0 HD3 ARG A 129 9.173 -4.325 4.951 1.00 0.00 H new ATOM 0 HE ARG A 129 6.785 -5.458 4.093 1.00 0.00 H new ATOM 0 HH11 ARG A 129 9.609 -4.024 2.535 1.00 0.00 H new ATOM 0 HH12 ARG A 129 9.470 -5.035 1.092 1.00 0.00 H new ATOM 0 HH21 ARG A 129 6.611 -6.751 2.236 1.00 0.00 H new ATOM 0 HH22 ARG A 129 7.780 -6.572 0.924 1.00 0.00 H new ATOM 2015 N GLY A 130 7.359 0.236 8.930 1.00 0.00 N ATOM 2016 CA GLY A 130 8.066 1.252 9.687 1.00 0.00 C ATOM 2017 C GLY A 130 7.143 2.336 10.206 1.00 0.00 C ATOM 2018 O GLY A 130 6.615 2.236 11.314 1.00 0.00 O ATOM 0 H GLY A 130 6.342 0.308 8.961 1.00 0.00 H new ATOM 0 HA2 GLY A 130 8.579 0.783 10.527 1.00 0.00 H new ATOM 0 HA3 GLY A 130 8.832 1.703 9.056 1.00 0.00 H new ATOM 2022 N LYS A 131 6.947 3.377 9.404 1.00 0.00 N ATOM 2023 CA LYS A 131 6.081 4.486 9.787 1.00 0.00 C ATOM 2024 C LYS A 131 4.754 4.426 9.036 1.00 0.00 C ATOM 2025 O LYS A 131 3.707 4.164 9.626 1.00 0.00 O ATOM 2026 CB LYS A 131 6.775 5.822 9.510 1.00 0.00 C ATOM 2027 CG LYS A 131 8.029 6.039 10.340 1.00 0.00 C ATOM 2028 CD LYS A 131 7.692 6.491 11.751 1.00 0.00 C ATOM 2029 CE LYS A 131 8.830 6.199 12.717 1.00 0.00 C ATOM 2030 NZ LYS A 131 8.463 6.525 14.122 1.00 0.00 N ATOM 0 H LYS A 131 7.376 3.476 8.484 1.00 0.00 H new ATOM 0 HA LYS A 131 5.878 4.403 10.855 1.00 0.00 H new ATOM 0 HB2 LYS A 131 7.035 5.874 8.453 1.00 0.00 H new ATOM 0 HB3 LYS A 131 6.074 6.634 9.706 1.00 0.00 H new ATOM 0 HG2 LYS A 131 8.604 5.114 10.381 1.00 0.00 H new ATOM 0 HG3 LYS A 131 8.660 6.786 9.859 1.00 0.00 H new ATOM 0 HD2 LYS A 131 7.479 7.560 11.751 1.00 0.00 H new ATOM 0 HD3 LYS A 131 6.787 5.986 12.090 1.00 0.00 H new ATOM 0 HE2 LYS A 131 9.103 5.146 12.648 1.00 0.00 H new ATOM 0 HE3 LYS A 131 9.708 6.776 12.428 1.00 0.00 H new ATOM 0 HZ1 LYS A 131 9.265 6.312 14.749 1.00 0.00 H new ATOM 0 HZ2 LYS A 131 8.227 7.535 14.194 1.00 0.00 H new ATOM 0 HZ3 LYS A 131 7.640 5.956 14.407 1.00 0.00 H new ATOM 2044 N ASN A 132 4.808 4.667 7.730 1.00 0.00 N ATOM 2045 CA ASN A 132 3.610 4.639 6.898 1.00 0.00 C ATOM 2046 C ASN A 132 3.965 4.831 5.426 1.00 0.00 C ATOM 2047 O ASN A 132 4.988 5.432 5.097 1.00 0.00 O ATOM 2048 CB ASN A 132 2.629 5.725 7.343 1.00 0.00 C ATOM 2049 CG ASN A 132 3.330 7.011 7.736 1.00 0.00 C ATOM 2050 OD1 ASN A 132 4.482 7.241 7.369 1.00 0.00 O ATOM 2051 ND2 ASN A 132 2.634 7.858 8.487 1.00 0.00 N ATOM 0 H ASN A 132 5.667 4.884 7.225 1.00 0.00 H new ATOM 0 HA ASN A 132 3.139 3.663 7.016 1.00 0.00 H new ATOM 0 HB2 ASN A 132 1.927 5.930 6.535 1.00 0.00 H new ATOM 0 HB3 ASN A 132 2.045 5.360 8.188 1.00 0.00 H new ATOM 0 HD21 ASN A 132 3.052 8.740 8.782 1.00 0.00 H new ATOM 0 HD22 ASN A 132 1.681 7.626 8.768 1.00 0.00 H new ATOM 2058 N TYR A 133 3.114 4.316 4.546 1.00 0.00 N ATOM 2059 CA TYR A 133 3.338 4.429 3.110 1.00 0.00 C ATOM 2060 C TYR A 133 3.092 5.856 2.630 1.00 0.00 C ATOM 2061 O TYR A 133 1.964 6.348 2.666 1.00 0.00 O ATOM 2062 CB TYR A 133 2.428 3.460 2.353 1.00 0.00 C ATOM 2063 CG TYR A 133 2.899 2.024 2.401 1.00 0.00 C ATOM 2064 CD1 TYR A 133 4.104 1.648 1.821 1.00 0.00 C ATOM 2065 CD2 TYR A 133 2.139 1.043 3.026 1.00 0.00 C ATOM 2066 CE1 TYR A 133 4.538 0.337 1.861 1.00 0.00 C ATOM 2067 CE2 TYR A 133 2.565 -0.270 3.073 1.00 0.00 C ATOM 2068 CZ TYR A 133 3.766 -0.618 2.489 1.00 0.00 C ATOM 2069 OH TYR A 133 4.193 -1.925 2.533 1.00 0.00 O ATOM 0 H TYR A 133 2.263 3.816 4.802 1.00 0.00 H new ATOM 0 HA TYR A 133 4.378 4.172 2.909 1.00 0.00 H new ATOM 0 HB2 TYR A 133 1.423 3.518 2.770 1.00 0.00 H new ATOM 0 HB3 TYR A 133 2.360 3.777 1.312 1.00 0.00 H new ATOM 0 HD1 TYR A 133 4.712 2.394 1.330 1.00 0.00 H new ATOM 0 HD2 TYR A 133 1.198 1.312 3.483 1.00 0.00 H new ATOM 0 HE1 TYR A 133 5.477 0.061 1.403 1.00 0.00 H new ATOM 0 HE2 TYR A 133 1.962 -1.020 3.564 1.00 0.00 H new ATOM 0 HH TYR A 133 3.534 -2.469 3.013 1.00 0.00 H new ATOM 2079 N ARG A 134 4.155 6.514 2.181 1.00 0.00 N ATOM 2080 CA ARG A 134 4.056 7.885 1.695 1.00 0.00 C ATOM 2081 C ARG A 134 3.767 7.910 0.197 1.00 0.00 C ATOM 2082 O ARG A 134 4.337 7.132 -0.568 1.00 0.00 O ATOM 2083 CB ARG A 134 5.349 8.648 1.989 1.00 0.00 C ATOM 2084 CG ARG A 134 6.537 8.173 1.167 1.00 0.00 C ATOM 2085 CD ARG A 134 7.675 9.181 1.200 1.00 0.00 C ATOM 2086 NE ARG A 134 8.222 9.345 2.544 1.00 0.00 N ATOM 2087 CZ ARG A 134 9.154 8.551 3.060 1.00 0.00 C ATOM 2088 NH1 ARG A 134 9.640 7.544 2.348 1.00 0.00 N ATOM 2089 NH2 ARG A 134 9.602 8.764 4.291 1.00 0.00 N ATOM 0 H ARG A 134 5.095 6.120 2.144 1.00 0.00 H new ATOM 0 HA ARG A 134 3.230 8.370 2.216 1.00 0.00 H new ATOM 0 HB2 ARG A 134 5.186 9.709 1.798 1.00 0.00 H new ATOM 0 HB3 ARG A 134 5.587 8.548 3.048 1.00 0.00 H new ATOM 0 HG2 ARG A 134 6.887 7.215 1.551 1.00 0.00 H new ATOM 0 HG3 ARG A 134 6.225 8.008 0.136 1.00 0.00 H new ATOM 0 HD2 ARG A 134 8.466 8.857 0.524 1.00 0.00 H new ATOM 0 HD3 ARG A 134 7.317 10.144 0.834 1.00 0.00 H new ATOM 0 HE ARG A 134 7.869 10.111 3.118 1.00 0.00 H new ATOM 0 HH11 ARG A 134 9.299 7.377 1.401 1.00 0.00 H new ATOM 0 HH12 ARG A 134 10.355 6.936 2.747 1.00 0.00 H new ATOM 0 HH21 ARG A 134 9.231 9.538 4.842 1.00 0.00 H new ATOM 0 HH22 ARG A 134 10.317 8.154 4.686 1.00 0.00 H new ATOM 2103 N ILE A 135 2.879 8.809 -0.214 1.00 0.00 N ATOM 2104 CA ILE A 135 2.516 8.936 -1.620 1.00 0.00 C ATOM 2105 C ILE A 135 2.894 10.310 -2.164 1.00 0.00 C ATOM 2106 O ILE A 135 2.337 11.327 -1.750 1.00 0.00 O ATOM 2107 CB ILE A 135 1.007 8.709 -1.834 1.00 0.00 C ATOM 2108 CG1 ILE A 135 0.589 7.351 -1.268 1.00 0.00 C ATOM 2109 CG2 ILE A 135 0.663 8.802 -3.313 1.00 0.00 C ATOM 2110 CD1 ILE A 135 -0.910 7.146 -1.235 1.00 0.00 C ATOM 0 H ILE A 135 2.398 9.460 0.407 1.00 0.00 H new ATOM 0 HA ILE A 135 3.071 8.169 -2.160 1.00 0.00 H new ATOM 0 HB ILE A 135 0.458 9.487 -1.304 1.00 0.00 H new ATOM 0 HG12 ILE A 135 1.043 6.561 -1.867 1.00 0.00 H new ATOM 0 HG13 ILE A 135 0.984 7.251 -0.257 1.00 0.00 H new ATOM 0 HG21 ILE A 135 -0.406 8.640 -3.449 1.00 0.00 H new ATOM 0 HG22 ILE A 135 0.930 9.790 -3.687 1.00 0.00 H new ATOM 0 HG23 ILE A 135 1.218 8.043 -3.864 1.00 0.00 H new ATOM 0 HD11 ILE A 135 -1.134 6.162 -0.822 1.00 0.00 H new ATOM 0 HD12 ILE A 135 -1.369 7.914 -0.612 1.00 0.00 H new ATOM 0 HD13 ILE A 135 -1.309 7.214 -2.247 1.00 0.00 H new ATOM 2122 N ILE A 136 3.842 10.331 -3.094 1.00 0.00 N ATOM 2123 CA ILE A 136 4.292 11.579 -3.697 1.00 0.00 C ATOM 2124 C ILE A 136 3.703 11.760 -5.092 1.00 0.00 C ATOM 2125 O ILE A 136 2.942 10.918 -5.570 1.00 0.00 O ATOM 2126 CB ILE A 136 5.828 11.637 -3.790 1.00 0.00 C ATOM 2127 CG1 ILE A 136 6.351 10.505 -4.677 1.00 0.00 C ATOM 2128 CG2 ILE A 136 6.446 11.559 -2.402 1.00 0.00 C ATOM 2129 CD1 ILE A 136 7.810 10.652 -5.048 1.00 0.00 C ATOM 0 H ILE A 136 4.313 9.498 -3.446 1.00 0.00 H new ATOM 0 HA ILE A 136 3.944 12.385 -3.051 1.00 0.00 H new ATOM 0 HB ILE A 136 6.114 12.587 -4.241 1.00 0.00 H new ATOM 0 HG12 ILE A 136 6.210 9.555 -4.161 1.00 0.00 H new ATOM 0 HG13 ILE A 136 5.755 10.464 -5.589 1.00 0.00 H new ATOM 0 HG21 ILE A 136 7.532 11.601 -2.484 1.00 0.00 H new ATOM 0 HG22 ILE A 136 6.095 12.397 -1.800 1.00 0.00 H new ATOM 0 HG23 ILE A 136 6.154 10.623 -1.926 1.00 0.00 H new ATOM 0 HD11 ILE A 136 8.112 9.814 -5.677 1.00 0.00 H new ATOM 0 HD12 ILE A 136 7.955 11.585 -5.592 1.00 0.00 H new ATOM 0 HD13 ILE A 136 8.416 10.662 -4.142 1.00 0.00 H new ATOM 2141 N ARG A 137 4.060 12.863 -5.741 1.00 0.00 N ATOM 2142 CA ARG A 137 3.567 13.155 -7.082 1.00 0.00 C ATOM 2143 C ARG A 137 4.468 12.527 -8.141 1.00 0.00 C ATOM 2144 O ARG A 137 5.601 12.141 -7.856 1.00 0.00 O ATOM 2145 CB ARG A 137 3.483 14.667 -7.300 1.00 0.00 C ATOM 2146 CG ARG A 137 2.358 15.086 -8.232 1.00 0.00 C ATOM 2147 CD ARG A 137 1.870 16.492 -7.919 1.00 0.00 C ATOM 2148 NE ARG A 137 0.892 16.503 -6.834 1.00 0.00 N ATOM 2149 CZ ARG A 137 1.207 16.728 -5.564 1.00 0.00 C ATOM 2150 NH1 ARG A 137 2.467 16.960 -5.221 1.00 0.00 N ATOM 2151 NH2 ARG A 137 0.261 16.722 -4.633 1.00 0.00 N ATOM 0 H ARG A 137 4.689 13.570 -5.360 1.00 0.00 H new ATOM 0 HA ARG A 137 2.570 12.725 -7.177 1.00 0.00 H new ATOM 0 HB2 ARG A 137 3.347 15.158 -6.336 1.00 0.00 H new ATOM 0 HB3 ARG A 137 4.431 15.020 -7.706 1.00 0.00 H new ATOM 0 HG2 ARG A 137 2.704 15.041 -9.265 1.00 0.00 H new ATOM 0 HG3 ARG A 137 1.529 14.384 -8.143 1.00 0.00 H new ATOM 0 HD2 ARG A 137 2.720 17.119 -7.648 1.00 0.00 H new ATOM 0 HD3 ARG A 137 1.425 16.929 -8.813 1.00 0.00 H new ATOM 0 HE ARG A 137 -0.086 16.328 -7.065 1.00 0.00 H new ATOM 0 HH11 ARG A 137 3.197 16.966 -5.934 1.00 0.00 H new ATOM 0 HH12 ARG A 137 2.706 17.133 -4.245 1.00 0.00 H new ATOM 0 HH21 ARG A 137 -0.709 16.544 -4.893 1.00 0.00 H new ATOM 0 HH22 ARG A 137 0.504 16.895 -3.658 1.00 0.00 H new ATOM 2165 N ALA A 138 3.956 12.428 -9.363 1.00 0.00 N ATOM 2166 CA ALA A 138 4.714 11.848 -10.465 1.00 0.00 C ATOM 2167 C ALA A 138 5.935 12.699 -10.798 1.00 0.00 C ATOM 2168 O ALA A 138 7.009 12.173 -11.088 1.00 0.00 O ATOM 2169 CB ALA A 138 3.827 11.691 -11.691 1.00 0.00 C ATOM 0 H ALA A 138 3.019 12.742 -9.615 1.00 0.00 H new ATOM 0 HA ALA A 138 5.063 10.863 -10.155 1.00 0.00 H new ATOM 0 HB1 ALA A 138 4.406 11.257 -12.506 1.00 0.00 H new ATOM 0 HB2 ALA A 138 2.989 11.036 -11.452 1.00 0.00 H new ATOM 0 HB3 ALA A 138 3.449 12.667 -11.994 1.00 0.00 H new ATOM 2175 N GLU A 139 5.762 14.017 -10.755 1.00 0.00 N ATOM 2176 CA GLU A 139 6.851 14.939 -11.054 1.00 0.00 C ATOM 2177 C GLU A 139 8.120 14.544 -10.305 1.00 0.00 C ATOM 2178 O GLU A 139 9.231 14.861 -10.732 1.00 0.00 O ATOM 2179 CB GLU A 139 6.452 16.370 -10.686 1.00 0.00 C ATOM 2180 CG GLU A 139 5.790 16.486 -9.323 1.00 0.00 C ATOM 2181 CD GLU A 139 6.025 17.836 -8.674 1.00 0.00 C ATOM 2182 OE1 GLU A 139 5.830 18.864 -9.357 1.00 0.00 O ATOM 2183 OE2 GLU A 139 6.402 17.865 -7.484 1.00 0.00 O ATOM 0 H GLU A 139 4.879 14.469 -10.516 1.00 0.00 H new ATOM 0 HA GLU A 139 7.052 14.889 -12.124 1.00 0.00 H new ATOM 0 HB2 GLU A 139 7.340 17.002 -10.704 1.00 0.00 H new ATOM 0 HB3 GLU A 139 5.771 16.755 -11.445 1.00 0.00 H new ATOM 0 HG2 GLU A 139 4.718 16.319 -9.428 1.00 0.00 H new ATOM 0 HG3 GLU A 139 6.172 15.701 -8.670 1.00 0.00 H new