USER MOD reduce.3.24.130724 H: found=0, std=0, add=728, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 726 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 42 GLN : amide:sc= -2.28 K(o=-2.3,f=-3.7!) USER MOD Set 1.2: A 98 THR OG1 : rot -80:sc= 0.026 USER MOD Set 2.1: A 29 THR OG1 : rot -176:sc= 0.882 USER MOD Set 2.2: A 31 SER OG : rot -73:sc= 0.699 USER MOD Single : A 8 THR OG1 : rot 37:sc= 0.33 USER MOD Single : A 9 MET CE :methyl 165:sc= -0.0168 (180deg=-0.463) USER MOD Single : A 14 SER OG : rot 22:sc= 0.923 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 27 HIS : no HE2:sc= -5.3! C(o=-5.3!,f=-5.1!) USER MOD Single : A 32 GLN : amide:sc= 0 X(o=0,f=-0.0029) USER MOD Single : A 34 LYS NZ :NH3+ 138:sc= 0.625 (180deg=-0.0434) USER MOD Single : A 35 THR OG1 : rot 98:sc= -0.871 USER MOD Single : A 38 GLN : amide:sc= -2.56 K(o=-2.6,f=-11!) USER MOD Single : A 40 GLN : amide:sc= -4.82! C(o=-4.8!,f=-15!) USER MOD Single : A 46 HIS : no HD1:sc= -3.07! C(o=-3.1!,f=-8!) USER MOD Single : A 47 ASN : amide:sc= -4.12! C(o=-4.1!,f=-4.1!) USER MOD Single : A 48 GLN : amide:sc= -6.54! C(o=-6.5!,f=-15!) USER MOD Single : A 49 THR OG1 : rot 87:sc= 0.878 USER MOD Single : A 51 SER OG : rot -120:sc= -0.118 USER MOD Single : A 52 THR OG1 : rot 180:sc= 0.0872 USER MOD Single : A 53 ASN : amide:sc= -0.595 K(o=-0.59,f=-2.8!) USER MOD Single : A 55 ASN : amide:sc= -0.406 X(o=-0.41,f=-0.039) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 63 SER OG : rot 180:sc= 0.0895 USER MOD Single : A 69 THR OG1 : rot 58:sc= 0.215 USER MOD Single : A 71 MET CE :methyl -168:sc= -1.42 (180deg=-1.87) USER MOD Single : A 75 ASN : amide:sc=-0.000721 X(o=-0.00072,f=0) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 80 SER OG : rot 170:sc= 0 USER MOD Single : A 82 ASN : amide:sc= -0.155 K(o=-0.16,f=-2.3!) USER MOD Single : A 85 HIS : no HD1:sc= -2.48 K(o=-2.5,f=-4.1!) USER MOD Single : A 87 SER OG : rot -69:sc= -2.74! USER MOD Single : A 88 MET CE :methyl -136:sc= -1.69 (180deg=-4.37!) USER MOD Single : A 90 TYR OH : rot 180:sc= -0.0293 USER MOD Single : A 93 TYR OH : rot -173:sc= -0.561 USER MOD ----------------------------------------------------------------- ATOM 66 N THR A 8 -8.842 8.995 9.263 1.00 0.00 N ATOM 67 CA THR A 8 -8.869 7.549 9.408 1.00 0.00 C ATOM 68 C THR A 8 -7.511 6.950 9.037 1.00 0.00 C ATOM 69 O THR A 8 -7.065 7.072 7.897 1.00 0.00 O ATOM 70 CB THR A 8 -10.023 7.011 8.560 1.00 0.00 C ATOM 71 OG1 THR A 8 -11.175 7.662 9.087 1.00 0.00 O ATOM 72 CG2 THR A 8 -10.289 5.525 8.808 1.00 0.00 C ATOM 0 HA THR A 8 -9.044 7.258 10.444 1.00 0.00 H new ATOM 0 HB THR A 8 -9.801 7.169 7.505 1.00 0.00 H new ATOM 0 HG1 THR A 8 -10.947 8.583 9.333 1.00 0.00 H new ATOM 0 HG21 THR A 8 -11.117 5.194 8.181 1.00 0.00 H new ATOM 0 HG22 THR A 8 -9.396 4.950 8.563 1.00 0.00 H new ATOM 0 HG23 THR A 8 -10.543 5.371 9.857 1.00 0.00 H new ATOM 80 N MET A 9 -6.891 6.316 10.021 1.00 0.00 N ATOM 81 CA MET A 9 -5.593 5.698 9.813 1.00 0.00 C ATOM 82 C MET A 9 -5.705 4.172 9.822 1.00 0.00 C ATOM 83 O MET A 9 -6.241 3.591 10.764 1.00 0.00 O ATOM 84 CB MET A 9 -4.631 6.147 10.914 1.00 0.00 C ATOM 85 CG MET A 9 -3.283 5.433 10.789 1.00 0.00 C ATOM 86 SD MET A 9 -2.725 4.897 12.398 1.00 0.00 S ATOM 87 CE MET A 9 -3.469 3.276 12.461 1.00 0.00 C ATOM 0 H MET A 9 -7.264 6.217 10.965 1.00 0.00 H new ATOM 0 HA MET A 9 -5.215 6.010 8.840 1.00 0.00 H new ATOM 0 HB2 MET A 9 -4.482 7.225 10.855 1.00 0.00 H new ATOM 0 HB3 MET A 9 -5.068 5.939 11.891 1.00 0.00 H new ATOM 0 HG2 MET A 9 -3.377 4.575 10.123 1.00 0.00 H new ATOM 0 HG3 MET A 9 -2.547 6.103 10.344 1.00 0.00 H new ATOM 0 HE1 MET A 9 -3.014 2.698 13.266 1.00 0.00 H new ATOM 0 HE2 MET A 9 -4.539 3.374 12.644 1.00 0.00 H new ATOM 0 HE3 MET A 9 -3.309 2.765 11.512 1.00 0.00 H new ATOM 97 N LEU A 10 -5.189 3.566 8.762 1.00 0.00 N ATOM 98 CA LEU A 10 -5.224 2.119 8.637 1.00 0.00 C ATOM 99 C LEU A 10 -3.820 1.557 8.872 1.00 0.00 C ATOM 100 O LEU A 10 -2.848 2.046 8.298 1.00 0.00 O ATOM 101 CB LEU A 10 -5.832 1.713 7.293 1.00 0.00 C ATOM 102 CG LEU A 10 -7.358 1.614 7.250 1.00 0.00 C ATOM 103 CD1 LEU A 10 -7.830 0.221 7.671 1.00 0.00 C ATOM 104 CD2 LEU A 10 -8.003 2.717 8.092 1.00 0.00 C ATOM 0 H LEU A 10 -4.745 4.051 7.982 1.00 0.00 H new ATOM 0 HA LEU A 10 -5.873 1.686 9.398 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -5.513 2.434 6.540 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -5.417 0.747 7.006 1.00 0.00 H new ATOM 0 HG LEU A 10 -7.681 1.765 6.220 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -8.918 0.178 7.631 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -7.413 -0.525 6.994 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -7.496 0.015 8.688 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -9.088 2.624 8.044 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -7.676 2.623 9.127 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -7.705 3.691 7.705 1.00 0.00 H new ATOM 116 N ARG A 11 -3.760 0.539 9.717 1.00 0.00 N ATOM 117 CA ARG A 11 -2.491 -0.095 10.035 1.00 0.00 C ATOM 118 C ARG A 11 -2.186 -1.206 9.029 1.00 0.00 C ATOM 119 O ARG A 11 -2.703 -2.316 9.148 1.00 0.00 O ATOM 120 CB ARG A 11 -2.509 -0.685 11.446 1.00 0.00 C ATOM 121 CG ARG A 11 -1.264 -0.268 12.231 1.00 0.00 C ATOM 122 CD ARG A 11 -1.105 -1.112 13.497 1.00 0.00 C ATOM 123 NE ARG A 11 -0.384 -0.340 14.534 1.00 0.00 N ATOM 124 CZ ARG A 11 -0.305 -0.703 15.821 1.00 0.00 C ATOM 125 NH1 ARG A 11 -0.901 -1.828 16.239 1.00 0.00 N ATOM 126 NH2 ARG A 11 0.371 0.060 16.691 1.00 0.00 N ATOM 0 H ARG A 11 -4.569 0.137 10.191 1.00 0.00 H new ATOM 0 HA ARG A 11 -1.716 0.670 9.983 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -3.403 -0.351 11.972 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -2.560 -1.772 11.389 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -0.380 -0.378 11.603 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -1.335 0.786 12.499 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -2.085 -1.411 13.870 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -0.559 -2.027 13.268 1.00 0.00 H new ATOM 0 HE ARG A 11 0.082 0.522 14.251 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -1.415 -2.409 15.577 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -0.840 -2.103 17.219 1.00 0.00 H new ATOM 0 HH21 ARG A 11 0.825 0.916 16.373 1.00 0.00 H new ATOM 0 HH22 ARG A 11 0.432 -0.216 17.671 1.00 0.00 H new ATOM 140 N VAL A 12 -1.347 -0.870 8.060 1.00 0.00 N ATOM 141 CA VAL A 12 -0.967 -1.825 7.033 1.00 0.00 C ATOM 142 C VAL A 12 0.394 -2.429 7.384 1.00 0.00 C ATOM 143 O VAL A 12 1.255 -1.748 7.940 1.00 0.00 O ATOM 144 CB VAL A 12 -0.986 -1.152 5.659 1.00 0.00 C ATOM 145 CG1 VAL A 12 -0.720 -2.169 4.547 1.00 0.00 C ATOM 146 CG2 VAL A 12 -2.308 -0.418 5.426 1.00 0.00 C ATOM 0 H VAL A 12 -0.919 0.051 7.965 1.00 0.00 H new ATOM 0 HA VAL A 12 -1.685 -2.644 6.988 1.00 0.00 H new ATOM 0 HB VAL A 12 -0.185 -0.413 5.637 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -0.739 -1.665 3.581 1.00 0.00 H new ATOM 0 HG12 VAL A 12 0.258 -2.626 4.699 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -1.489 -2.941 4.569 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -2.295 0.051 4.442 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -3.133 -1.129 5.478 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -2.439 0.347 6.191 1.00 0.00 H new ATOM 156 N ARG A 13 0.546 -3.701 7.046 1.00 0.00 N ATOM 157 CA ARG A 13 1.788 -4.405 7.319 1.00 0.00 C ATOM 158 C ARG A 13 2.445 -4.848 6.010 1.00 0.00 C ATOM 159 O ARG A 13 1.806 -5.487 5.175 1.00 0.00 O ATOM 160 CB ARG A 13 1.544 -5.632 8.199 1.00 0.00 C ATOM 161 CG ARG A 13 2.835 -6.428 8.401 1.00 0.00 C ATOM 162 CD ARG A 13 3.386 -6.229 9.815 1.00 0.00 C ATOM 163 NE ARG A 13 3.573 -7.541 10.474 1.00 0.00 N ATOM 164 CZ ARG A 13 4.307 -7.728 11.579 1.00 0.00 C ATOM 165 NH1 ARG A 13 4.928 -6.690 12.155 1.00 0.00 N ATOM 166 NH2 ARG A 13 4.420 -8.954 12.109 1.00 0.00 N ATOM 0 H ARG A 13 -0.170 -4.263 6.586 1.00 0.00 H new ATOM 0 HA ARG A 13 2.449 -3.718 7.848 1.00 0.00 H new ATOM 0 HB2 ARG A 13 1.151 -5.318 9.166 1.00 0.00 H new ATOM 0 HB3 ARG A 13 0.788 -6.269 7.740 1.00 0.00 H new ATOM 0 HG2 ARG A 13 2.645 -7.487 8.227 1.00 0.00 H new ATOM 0 HG3 ARG A 13 3.579 -6.113 7.669 1.00 0.00 H new ATOM 0 HD2 ARG A 13 4.335 -5.695 9.773 1.00 0.00 H new ATOM 0 HD3 ARG A 13 2.701 -5.614 10.398 1.00 0.00 H new ATOM 0 HE ARG A 13 3.115 -8.353 10.061 1.00 0.00 H new ATOM 0 HH11 ARG A 13 4.842 -5.757 11.752 1.00 0.00 H new ATOM 0 HH12 ARG A 13 5.487 -6.833 12.996 1.00 0.00 H new ATOM 0 HH21 ARG A 13 3.947 -9.745 11.671 1.00 0.00 H new ATOM 0 HH22 ARG A 13 4.979 -9.096 12.950 1.00 0.00 H new ATOM 180 N SER A 14 3.714 -4.491 5.872 1.00 0.00 N ATOM 181 CA SER A 14 4.465 -4.843 4.679 1.00 0.00 C ATOM 182 C SER A 14 5.710 -5.644 5.062 1.00 0.00 C ATOM 183 O SER A 14 6.170 -5.577 6.201 1.00 0.00 O ATOM 184 CB SER A 14 4.859 -3.595 3.887 1.00 0.00 C ATOM 185 OG SER A 14 5.316 -2.546 4.737 1.00 0.00 O ATOM 0 H SER A 14 4.241 -3.962 6.567 1.00 0.00 H new ATOM 0 HA SER A 14 3.827 -5.457 4.043 1.00 0.00 H new ATOM 0 HB2 SER A 14 5.642 -3.851 3.173 1.00 0.00 H new ATOM 0 HB3 SER A 14 4.003 -3.247 3.309 1.00 0.00 H new ATOM 0 HG SER A 14 5.621 -2.924 5.588 1.00 0.00 H new ATOM 191 N ARG A 15 6.222 -6.384 4.090 1.00 0.00 N ATOM 192 CA ARG A 15 7.405 -7.198 4.311 1.00 0.00 C ATOM 193 C ARG A 15 8.548 -6.335 4.851 1.00 0.00 C ATOM 194 O ARG A 15 9.440 -6.837 5.534 1.00 0.00 O ATOM 195 CB ARG A 15 7.857 -7.878 3.017 1.00 0.00 C ATOM 196 CG ARG A 15 8.211 -6.842 1.948 1.00 0.00 C ATOM 197 CD ARG A 15 8.823 -7.512 0.716 1.00 0.00 C ATOM 198 NE ARG A 15 10.274 -7.228 0.654 1.00 0.00 N ATOM 199 CZ ARG A 15 11.081 -7.650 -0.329 1.00 0.00 C ATOM 200 NH1 ARG A 15 10.583 -8.378 -1.338 1.00 0.00 N ATOM 201 NH2 ARG A 15 12.385 -7.344 -0.304 1.00 0.00 N ATOM 0 H ARG A 15 5.839 -6.437 3.146 1.00 0.00 H new ATOM 0 HA ARG A 15 7.147 -7.966 5.040 1.00 0.00 H new ATOM 0 HB2 ARG A 15 8.722 -8.510 3.217 1.00 0.00 H new ATOM 0 HB3 ARG A 15 7.065 -8.530 2.649 1.00 0.00 H new ATOM 0 HG2 ARG A 15 7.316 -6.291 1.660 1.00 0.00 H new ATOM 0 HG3 ARG A 15 8.913 -6.116 2.358 1.00 0.00 H new ATOM 0 HD2 ARG A 15 8.656 -8.588 0.757 1.00 0.00 H new ATOM 0 HD3 ARG A 15 8.334 -7.147 -0.187 1.00 0.00 H new ATOM 0 HE ARG A 15 10.686 -6.676 1.407 1.00 0.00 H new ATOM 0 HH11 ARG A 15 9.590 -8.611 -1.357 1.00 0.00 H new ATOM 0 HH12 ARG A 15 11.197 -8.699 -2.086 1.00 0.00 H new ATOM 0 HH21 ARG A 15 12.764 -6.790 0.464 1.00 0.00 H new ATOM 0 HH22 ARG A 15 12.999 -7.666 -1.053 1.00 0.00 H new ATOM 215 N ASP A 16 8.484 -5.053 4.525 1.00 0.00 N ATOM 216 CA ASP A 16 9.503 -4.116 4.969 1.00 0.00 C ATOM 217 C ASP A 16 9.234 -3.730 6.425 1.00 0.00 C ATOM 218 O ASP A 16 10.149 -3.334 7.145 1.00 0.00 O ATOM 219 CB ASP A 16 9.479 -2.838 4.129 1.00 0.00 C ATOM 220 CG ASP A 16 10.092 -2.970 2.733 1.00 0.00 C ATOM 221 OD1 ASP A 16 10.462 -4.111 2.382 1.00 0.00 O ATOM 222 OD2 ASP A 16 10.177 -1.927 2.049 1.00 0.00 O ATOM 0 H ASP A 16 7.743 -4.640 3.959 1.00 0.00 H new ATOM 0 HA ASP A 16 10.475 -4.599 4.863 1.00 0.00 H new ATOM 0 HB2 ASP A 16 8.445 -2.508 4.026 1.00 0.00 H new ATOM 0 HB3 ASP A 16 10.011 -2.055 4.670 1.00 0.00 H new ATOM 227 N GLY A 17 7.974 -3.858 6.815 1.00 0.00 N ATOM 228 CA GLY A 17 7.574 -3.527 8.172 1.00 0.00 C ATOM 229 C GLY A 17 6.185 -2.886 8.193 1.00 0.00 C ATOM 230 O GLY A 17 5.613 -2.601 7.142 1.00 0.00 O ATOM 0 H GLY A 17 7.217 -4.186 6.215 1.00 0.00 H new ATOM 0 HA2 GLY A 17 7.572 -4.429 8.784 1.00 0.00 H new ATOM 0 HA3 GLY A 17 8.300 -2.844 8.613 1.00 0.00 H new ATOM 234 N LEU A 18 5.683 -2.677 9.401 1.00 0.00 N ATOM 235 CA LEU A 18 4.372 -2.075 9.573 1.00 0.00 C ATOM 236 C LEU A 18 4.457 -0.580 9.257 1.00 0.00 C ATOM 237 O LEU A 18 5.260 0.139 9.851 1.00 0.00 O ATOM 238 CB LEU A 18 3.821 -2.378 10.968 1.00 0.00 C ATOM 239 CG LEU A 18 2.636 -1.523 11.421 1.00 0.00 C ATOM 240 CD1 LEU A 18 1.325 -2.048 10.833 1.00 0.00 C ATOM 241 CD2 LEU A 18 2.582 -1.427 12.947 1.00 0.00 C ATOM 0 H LEU A 18 6.161 -2.914 10.270 1.00 0.00 H new ATOM 0 HA LEU A 18 3.659 -2.510 8.873 1.00 0.00 H new ATOM 0 HB2 LEU A 18 3.521 -3.425 10.999 1.00 0.00 H new ATOM 0 HB3 LEU A 18 4.628 -2.257 11.690 1.00 0.00 H new ATOM 0 HG LEU A 18 2.778 -0.512 11.039 1.00 0.00 H new ATOM 0 HD11 LEU A 18 0.499 -1.423 11.171 1.00 0.00 H new ATOM 0 HD12 LEU A 18 1.378 -2.022 9.745 1.00 0.00 H new ATOM 0 HD13 LEU A 18 1.163 -3.074 11.164 1.00 0.00 H new ATOM 0 HD21 LEU A 18 1.731 -0.814 13.243 1.00 0.00 H new ATOM 0 HD22 LEU A 18 2.475 -2.426 13.371 1.00 0.00 H new ATOM 0 HD23 LEU A 18 3.502 -0.973 13.316 1.00 0.00 H new ATOM 253 N GLU A 19 3.619 -0.156 8.323 1.00 0.00 N ATOM 254 CA GLU A 19 3.589 1.240 7.921 1.00 0.00 C ATOM 255 C GLU A 19 2.182 1.813 8.097 1.00 0.00 C ATOM 256 O GLU A 19 1.237 1.076 8.375 1.00 0.00 O ATOM 257 CB GLU A 19 4.072 1.405 6.478 1.00 0.00 C ATOM 258 CG GLU A 19 5.600 1.439 6.412 1.00 0.00 C ATOM 259 CD GLU A 19 6.089 1.326 4.967 1.00 0.00 C ATOM 260 OE1 GLU A 19 6.068 0.189 4.448 1.00 0.00 O ATOM 261 OE2 GLU A 19 6.472 2.380 4.414 1.00 0.00 O ATOM 0 H GLU A 19 2.955 -0.755 7.833 1.00 0.00 H new ATOM 0 HA GLU A 19 4.270 1.798 8.564 1.00 0.00 H new ATOM 0 HB2 GLU A 19 3.696 0.583 5.869 1.00 0.00 H new ATOM 0 HB3 GLU A 19 3.666 2.325 6.058 1.00 0.00 H new ATOM 0 HG2 GLU A 19 5.966 2.367 6.852 1.00 0.00 H new ATOM 0 HG3 GLU A 19 6.011 0.621 7.004 1.00 0.00 H new ATOM 268 N ARG A 20 2.086 3.124 7.928 1.00 0.00 N ATOM 269 CA ARG A 20 0.810 3.805 8.066 1.00 0.00 C ATOM 270 C ARG A 20 0.352 4.352 6.712 1.00 0.00 C ATOM 271 O ARG A 20 1.165 4.545 5.809 1.00 0.00 O ATOM 272 CB ARG A 20 0.905 4.956 9.068 1.00 0.00 C ATOM 273 CG ARG A 20 1.191 4.434 10.478 1.00 0.00 C ATOM 274 CD ARG A 20 0.174 3.366 10.883 1.00 0.00 C ATOM 275 NE ARG A 20 0.170 3.204 12.354 1.00 0.00 N ATOM 276 CZ ARG A 20 1.154 2.615 13.048 1.00 0.00 C ATOM 277 NH1 ARG A 20 2.226 2.129 12.409 1.00 0.00 N ATOM 278 NH2 ARG A 20 1.065 2.512 14.381 1.00 0.00 N ATOM 0 H ARG A 20 2.871 3.732 7.697 1.00 0.00 H new ATOM 0 HA ARG A 20 0.084 3.079 8.433 1.00 0.00 H new ATOM 0 HB2 ARG A 20 1.694 5.643 8.764 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -0.027 5.521 9.068 1.00 0.00 H new ATOM 0 HG2 ARG A 20 2.197 4.017 10.518 1.00 0.00 H new ATOM 0 HG3 ARG A 20 1.159 5.260 11.189 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -0.820 3.649 10.537 1.00 0.00 H new ATOM 0 HD3 ARG A 20 0.420 2.418 10.405 1.00 0.00 H new ATOM 0 HE ARG A 20 -0.632 3.563 12.872 1.00 0.00 H new ATOM 0 HH11 ARG A 20 2.294 2.207 11.394 1.00 0.00 H new ATOM 0 HH12 ARG A 20 2.975 1.681 12.937 1.00 0.00 H new ATOM 0 HH21 ARG A 20 0.248 2.882 14.868 1.00 0.00 H new ATOM 0 HH22 ARG A 20 1.814 2.064 14.909 1.00 0.00 H new ATOM 292 N VAL A 21 -0.948 4.588 6.614 1.00 0.00 N ATOM 293 CA VAL A 21 -1.523 5.109 5.386 1.00 0.00 C ATOM 294 C VAL A 21 -2.809 5.871 5.713 1.00 0.00 C ATOM 295 O VAL A 21 -3.535 5.503 6.636 1.00 0.00 O ATOM 296 CB VAL A 21 -1.740 3.972 4.385 1.00 0.00 C ATOM 297 CG1 VAL A 21 -2.232 4.512 3.041 1.00 0.00 C ATOM 298 CG2 VAL A 21 -0.465 3.145 4.211 1.00 0.00 C ATOM 0 H VAL A 21 -1.619 4.428 7.365 1.00 0.00 H new ATOM 0 HA VAL A 21 -0.839 5.814 4.913 1.00 0.00 H new ATOM 0 HB VAL A 21 -2.513 3.315 4.785 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -2.378 3.684 2.348 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -3.177 5.037 3.184 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -1.492 5.201 2.633 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -0.646 2.344 3.495 1.00 0.00 H new ATOM 0 HG22 VAL A 21 0.337 3.786 3.844 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -0.176 2.716 5.170 1.00 0.00 H new ATOM 308 N SER A 22 -3.053 6.918 4.940 1.00 0.00 N ATOM 309 CA SER A 22 -4.238 7.735 5.136 1.00 0.00 C ATOM 310 C SER A 22 -5.298 7.378 4.092 1.00 0.00 C ATOM 311 O SER A 22 -4.999 7.293 2.902 1.00 0.00 O ATOM 312 CB SER A 22 -3.900 9.225 5.061 1.00 0.00 C ATOM 313 OG SER A 22 -4.913 10.033 5.653 1.00 0.00 O ATOM 0 H SER A 22 -2.449 7.220 4.175 1.00 0.00 H new ATOM 0 HA SER A 22 -4.633 7.530 6.131 1.00 0.00 H new ATOM 0 HB2 SER A 22 -2.951 9.407 5.565 1.00 0.00 H new ATOM 0 HB3 SER A 22 -3.768 9.515 4.018 1.00 0.00 H new ATOM 0 HG SER A 22 -4.659 10.977 5.586 1.00 0.00 H new ATOM 319 N VAL A 23 -6.516 7.179 4.575 1.00 0.00 N ATOM 320 CA VAL A 23 -7.622 6.833 3.699 1.00 0.00 C ATOM 321 C VAL A 23 -8.715 7.896 3.820 1.00 0.00 C ATOM 322 O VAL A 23 -8.472 8.984 4.341 1.00 0.00 O ATOM 323 CB VAL A 23 -8.121 5.422 4.018 1.00 0.00 C ATOM 324 CG1 VAL A 23 -6.951 4.454 4.199 1.00 0.00 C ATOM 325 CG2 VAL A 23 -9.024 5.427 5.254 1.00 0.00 C ATOM 0 H VAL A 23 -6.761 7.251 5.563 1.00 0.00 H new ATOM 0 HA VAL A 23 -7.296 6.820 2.659 1.00 0.00 H new ATOM 0 HB VAL A 23 -8.713 5.077 3.171 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -7.334 3.459 4.425 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -6.364 4.417 3.281 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -6.320 4.795 5.020 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -9.365 4.412 5.459 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -8.465 5.802 6.111 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -9.885 6.070 5.073 1.00 0.00 H new ATOM 335 N ASP A 24 -9.895 7.544 3.332 1.00 0.00 N ATOM 336 CA ASP A 24 -11.026 8.455 3.379 1.00 0.00 C ATOM 337 C ASP A 24 -12.135 7.840 4.236 1.00 0.00 C ATOM 338 O ASP A 24 -12.740 8.525 5.059 1.00 0.00 O ATOM 339 CB ASP A 24 -11.593 8.703 1.979 1.00 0.00 C ATOM 340 CG ASP A 24 -10.628 9.375 1.001 1.00 0.00 C ATOM 341 OD1 ASP A 24 -9.689 8.677 0.560 1.00 0.00 O ATOM 342 OD2 ASP A 24 -10.851 10.571 0.716 1.00 0.00 O ATOM 0 H ASP A 24 -10.093 6.640 2.902 1.00 0.00 H new ATOM 0 HA ASP A 24 -10.681 9.399 3.801 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -11.909 7.749 1.557 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -12.485 9.322 2.069 1.00 0.00 H new ATOM 347 N GLY A 25 -12.367 6.555 4.013 1.00 0.00 N ATOM 348 CA GLY A 25 -13.392 5.840 4.754 1.00 0.00 C ATOM 349 C GLY A 25 -13.746 4.520 4.067 1.00 0.00 C ATOM 350 O GLY A 25 -13.029 4.068 3.175 1.00 0.00 O ATOM 0 H GLY A 25 -11.863 5.990 3.330 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -13.043 5.644 5.768 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -14.284 6.461 4.839 1.00 0.00 H new ATOM 354 N PRO A 26 -14.881 3.922 4.520 1.00 0.00 N ATOM 355 CA PRO A 26 -15.338 2.663 3.958 1.00 0.00 C ATOM 356 C PRO A 26 -15.959 2.872 2.575 1.00 0.00 C ATOM 357 O PRO A 26 -15.997 1.950 1.762 1.00 0.00 O ATOM 358 CB PRO A 26 -16.325 2.114 4.975 1.00 0.00 C ATOM 359 CG PRO A 26 -16.734 3.296 5.839 1.00 0.00 C ATOM 360 CD PRO A 26 -15.755 4.428 5.574 1.00 0.00 C ATOM 0 HA PRO A 26 -14.524 1.957 3.791 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -17.191 1.674 4.481 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -15.869 1.329 5.578 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -17.751 3.608 5.602 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -16.722 3.020 6.893 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -16.273 5.334 5.258 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -15.189 4.680 6.471 1.00 0.00 H new ATOM 368 N HIS A 27 -16.429 4.090 2.351 1.00 0.00 N ATOM 369 CA HIS A 27 -17.046 4.432 1.081 1.00 0.00 C ATOM 370 C HIS A 27 -16.065 4.149 -0.059 1.00 0.00 C ATOM 371 O HIS A 27 -16.467 4.041 -1.216 1.00 0.00 O ATOM 372 CB HIS A 27 -17.542 5.879 1.090 1.00 0.00 C ATOM 373 CG HIS A 27 -16.519 6.876 1.579 1.00 0.00 C ATOM 374 ND1 HIS A 27 -16.723 8.244 1.531 1.00 0.00 N ATOM 375 CD2 HIS A 27 -15.284 6.690 2.126 1.00 0.00 C ATOM 376 CE1 HIS A 27 -15.652 8.844 2.029 1.00 0.00 C ATOM 377 NE2 HIS A 27 -14.761 7.880 2.396 1.00 0.00 N ATOM 0 H HIS A 27 -16.395 4.852 3.028 1.00 0.00 H new ATOM 0 HA HIS A 27 -17.926 3.808 0.921 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -17.848 6.154 0.081 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -18.428 5.944 1.721 1.00 0.00 H new ATOM 0 HD1 HIS A 27 -17.556 8.711 1.173 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -14.811 5.736 2.309 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -15.510 9.910 2.127 1.00 0.00 H new ATOM 385 N ILE A 28 -14.797 4.036 0.309 1.00 0.00 N ATOM 386 CA ILE A 28 -13.756 3.768 -0.668 1.00 0.00 C ATOM 387 C ILE A 28 -13.637 2.257 -0.878 1.00 0.00 C ATOM 388 O ILE A 28 -14.072 1.473 -0.036 1.00 0.00 O ATOM 389 CB ILE A 28 -12.444 4.435 -0.250 1.00 0.00 C ATOM 390 CG1 ILE A 28 -11.702 3.586 0.785 1.00 0.00 C ATOM 391 CG2 ILE A 28 -12.689 5.861 0.249 1.00 0.00 C ATOM 392 CD1 ILE A 28 -10.409 3.015 0.199 1.00 0.00 C ATOM 0 H ILE A 28 -14.467 4.125 1.270 1.00 0.00 H new ATOM 0 HA ILE A 28 -14.017 4.205 -1.632 1.00 0.00 H new ATOM 0 HB ILE A 28 -11.802 4.506 -1.128 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -11.472 4.193 1.661 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -12.344 2.772 1.121 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -11.741 6.313 0.540 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -13.143 6.452 -0.546 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -13.358 5.836 1.109 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -9.901 2.416 0.954 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -10.645 2.390 -0.662 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -9.759 3.832 -0.113 1.00 0.00 H new ATOM 404 N THR A 29 -13.046 1.893 -2.007 1.00 0.00 N ATOM 405 CA THR A 29 -12.865 0.490 -2.339 1.00 0.00 C ATOM 406 C THR A 29 -11.376 0.157 -2.453 1.00 0.00 C ATOM 407 O THR A 29 -10.540 1.056 -2.540 1.00 0.00 O ATOM 408 CB THR A 29 -13.651 0.202 -3.619 1.00 0.00 C ATOM 409 OG1 THR A 29 -13.105 1.107 -4.574 1.00 0.00 O ATOM 410 CG2 THR A 29 -15.120 0.617 -3.510 1.00 0.00 C ATOM 0 H THR A 29 -12.686 2.546 -2.703 1.00 0.00 H new ATOM 0 HA THR A 29 -13.251 -0.156 -1.551 1.00 0.00 H new ATOM 0 HB THR A 29 -13.590 -0.862 -3.850 1.00 0.00 H new ATOM 0 HG1 THR A 29 -13.600 1.031 -5.417 1.00 0.00 H new ATOM 0 HG21 THR A 29 -15.632 0.391 -4.445 1.00 0.00 H new ATOM 0 HG22 THR A 29 -15.593 0.069 -2.695 1.00 0.00 H new ATOM 0 HG23 THR A 29 -15.182 1.687 -3.312 1.00 0.00 H new ATOM 418 N VAL A 30 -11.089 -1.136 -2.448 1.00 0.00 N ATOM 419 CA VAL A 30 -9.716 -1.599 -2.549 1.00 0.00 C ATOM 420 C VAL A 30 -8.995 -0.808 -3.643 1.00 0.00 C ATOM 421 O VAL A 30 -7.819 -0.478 -3.503 1.00 0.00 O ATOM 422 CB VAL A 30 -9.689 -3.110 -2.787 1.00 0.00 C ATOM 423 CG1 VAL A 30 -8.260 -3.602 -3.027 1.00 0.00 C ATOM 424 CG2 VAL A 30 -10.339 -3.860 -1.623 1.00 0.00 C ATOM 0 H VAL A 30 -11.785 -1.878 -2.375 1.00 0.00 H new ATOM 0 HA VAL A 30 -9.183 -1.422 -1.615 1.00 0.00 H new ATOM 0 HB VAL A 30 -10.270 -3.318 -3.685 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -8.269 -4.679 -3.193 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -7.846 -3.103 -3.903 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -7.646 -3.375 -2.156 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -10.307 -4.932 -1.817 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -9.798 -3.642 -0.702 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -11.376 -3.541 -1.519 1.00 0.00 H new ATOM 434 N SER A 31 -9.732 -0.528 -4.708 1.00 0.00 N ATOM 435 CA SER A 31 -9.178 0.218 -5.826 1.00 0.00 C ATOM 436 C SER A 31 -8.592 1.542 -5.332 1.00 0.00 C ATOM 437 O SER A 31 -7.442 1.864 -5.626 1.00 0.00 O ATOM 438 CB SER A 31 -10.239 0.474 -6.897 1.00 0.00 C ATOM 439 OG SER A 31 -11.151 1.500 -6.512 1.00 0.00 O ATOM 0 H SER A 31 -10.707 -0.804 -4.821 1.00 0.00 H new ATOM 0 HA SER A 31 -8.384 -0.378 -6.275 1.00 0.00 H new ATOM 0 HB2 SER A 31 -9.751 0.754 -7.831 1.00 0.00 H new ATOM 0 HB3 SER A 31 -10.790 -0.447 -7.089 1.00 0.00 H new ATOM 0 HG SER A 31 -11.755 1.158 -5.820 1.00 0.00 H new ATOM 445 N GLN A 32 -9.410 2.275 -4.590 1.00 0.00 N ATOM 446 CA GLN A 32 -8.988 3.557 -4.053 1.00 0.00 C ATOM 447 C GLN A 32 -7.919 3.355 -2.977 1.00 0.00 C ATOM 448 O GLN A 32 -7.053 4.208 -2.789 1.00 0.00 O ATOM 449 CB GLN A 32 -10.180 4.341 -3.502 1.00 0.00 C ATOM 450 CG GLN A 32 -11.211 4.615 -4.599 1.00 0.00 C ATOM 451 CD GLN A 32 -11.733 6.050 -4.515 1.00 0.00 C ATOM 452 OE1 GLN A 32 -11.012 7.013 -4.719 1.00 0.00 O ATOM 453 NE2 GLN A 32 -13.023 6.139 -4.203 1.00 0.00 N ATOM 0 H GLN A 32 -10.363 2.005 -4.348 1.00 0.00 H new ATOM 0 HA GLN A 32 -8.554 4.143 -4.863 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -10.646 3.780 -2.692 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -9.835 5.284 -3.079 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -10.761 4.445 -5.577 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -12.042 3.916 -4.505 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -13.569 5.292 -4.045 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -13.466 7.054 -4.122 1.00 0.00 H new ATOM 462 N LEU A 33 -8.016 2.222 -2.298 1.00 0.00 N ATOM 463 CA LEU A 33 -7.068 1.897 -1.245 1.00 0.00 C ATOM 464 C LEU A 33 -5.695 1.632 -1.865 1.00 0.00 C ATOM 465 O LEU A 33 -4.762 2.411 -1.672 1.00 0.00 O ATOM 466 CB LEU A 33 -7.591 0.740 -0.391 1.00 0.00 C ATOM 467 CG LEU A 33 -6.848 0.485 0.922 1.00 0.00 C ATOM 468 CD1 LEU A 33 -6.257 1.782 1.477 1.00 0.00 C ATOM 469 CD2 LEU A 33 -7.753 -0.213 1.938 1.00 0.00 C ATOM 0 H LEU A 33 -8.736 1.517 -2.456 1.00 0.00 H new ATOM 0 HA LEU A 33 -6.953 2.739 -0.563 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -8.639 0.930 -0.161 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -7.555 -0.171 -0.988 1.00 0.00 H new ATOM 0 HG LEU A 33 -6.015 -0.188 0.718 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -5.734 1.573 2.410 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -5.557 2.201 0.755 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -7.059 2.497 1.662 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -7.200 -0.382 2.862 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -8.620 0.414 2.144 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -8.085 -1.169 1.533 1.00 0.00 H new ATOM 481 N LYS A 34 -5.613 0.530 -2.596 1.00 0.00 N ATOM 482 CA LYS A 34 -4.370 0.153 -3.245 1.00 0.00 C ATOM 483 C LYS A 34 -3.708 1.400 -3.835 1.00 0.00 C ATOM 484 O LYS A 34 -2.507 1.607 -3.669 1.00 0.00 O ATOM 485 CB LYS A 34 -4.615 -0.956 -4.270 1.00 0.00 C ATOM 486 CG LYS A 34 -4.439 -2.338 -3.636 1.00 0.00 C ATOM 487 CD LYS A 34 -5.238 -3.397 -4.398 1.00 0.00 C ATOM 488 CE LYS A 34 -5.071 -4.776 -3.757 1.00 0.00 C ATOM 489 NZ LYS A 34 -5.608 -5.829 -4.647 1.00 0.00 N ATOM 0 H LYS A 34 -6.388 -0.114 -2.753 1.00 0.00 H new ATOM 0 HA LYS A 34 -3.673 -0.265 -2.518 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -5.622 -0.864 -4.677 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -3.923 -0.844 -5.105 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -3.383 -2.608 -3.631 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -4.765 -2.309 -2.596 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -6.293 -3.123 -4.410 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -4.906 -3.432 -5.436 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -4.017 -4.965 -3.555 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -5.589 -4.803 -2.798 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -4.962 -6.644 -4.650 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -6.543 -6.130 -4.305 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -5.697 -5.455 -5.613 1.00 0.00 H new ATOM 503 N THR A 35 -4.521 2.198 -4.510 1.00 0.00 N ATOM 504 CA THR A 35 -4.030 3.420 -5.126 1.00 0.00 C ATOM 505 C THR A 35 -3.326 4.294 -4.087 1.00 0.00 C ATOM 506 O THR A 35 -2.247 4.825 -4.345 1.00 0.00 O ATOM 507 CB THR A 35 -5.211 4.115 -5.805 1.00 0.00 C ATOM 508 OG1 THR A 35 -5.345 3.435 -7.050 1.00 0.00 O ATOM 509 CG2 THR A 35 -4.893 5.558 -6.201 1.00 0.00 C ATOM 0 H THR A 35 -5.517 2.023 -4.644 1.00 0.00 H new ATOM 0 HA THR A 35 -3.280 3.206 -5.887 1.00 0.00 H new ATOM 0 HB THR A 35 -6.072 4.104 -5.136 1.00 0.00 H new ATOM 0 HG1 THR A 35 -6.047 2.755 -6.978 1.00 0.00 H new ATOM 0 HG21 THR A 35 -5.765 6.005 -6.679 1.00 0.00 H new ATOM 0 HG22 THR A 35 -4.634 6.131 -5.311 1.00 0.00 H new ATOM 0 HG23 THR A 35 -4.053 5.568 -6.896 1.00 0.00 H new ATOM 517 N LEU A 36 -3.966 4.418 -2.933 1.00 0.00 N ATOM 518 CA LEU A 36 -3.414 5.219 -1.854 1.00 0.00 C ATOM 519 C LEU A 36 -2.022 4.695 -1.494 1.00 0.00 C ATOM 520 O LEU A 36 -1.023 5.380 -1.706 1.00 0.00 O ATOM 521 CB LEU A 36 -4.381 5.260 -0.668 1.00 0.00 C ATOM 522 CG LEU A 36 -5.540 6.251 -0.783 1.00 0.00 C ATOM 523 CD1 LEU A 36 -6.531 6.071 0.369 1.00 0.00 C ATOM 524 CD2 LEU A 36 -5.025 7.689 -0.875 1.00 0.00 C ATOM 0 H LEU A 36 -4.861 3.977 -2.722 1.00 0.00 H new ATOM 0 HA LEU A 36 -3.292 6.254 -2.173 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -4.795 4.262 -0.528 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -3.813 5.499 0.231 1.00 0.00 H new ATOM 0 HG LEU A 36 -6.078 6.041 -1.708 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -7.345 6.788 0.264 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -6.934 5.058 0.348 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -6.021 6.239 1.317 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -5.869 8.373 -0.956 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -4.449 7.927 0.019 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -4.389 7.792 -1.754 1.00 0.00 H new ATOM 536 N ILE A 37 -2.002 3.484 -0.957 1.00 0.00 N ATOM 537 CA ILE A 37 -0.750 2.859 -0.566 1.00 0.00 C ATOM 538 C ILE A 37 0.205 2.848 -1.762 1.00 0.00 C ATOM 539 O ILE A 37 1.415 2.994 -1.597 1.00 0.00 O ATOM 540 CB ILE A 37 -1.005 1.473 0.029 1.00 0.00 C ATOM 541 CG1 ILE A 37 -1.681 1.580 1.398 1.00 0.00 C ATOM 542 CG2 ILE A 37 0.287 0.656 0.091 1.00 0.00 C ATOM 543 CD1 ILE A 37 -3.135 1.111 1.329 1.00 0.00 C ATOM 0 H ILE A 37 -2.833 2.919 -0.783 1.00 0.00 H new ATOM 0 HA ILE A 37 -0.267 3.435 0.223 1.00 0.00 H new ATOM 0 HB ILE A 37 -1.691 0.940 -0.629 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -1.135 0.979 2.125 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -1.644 2.612 1.746 1.00 0.00 H new ATOM 0 HG21 ILE A 37 0.077 -0.325 0.518 1.00 0.00 H new ATOM 0 HG22 ILE A 37 0.690 0.535 -0.915 1.00 0.00 H new ATOM 0 HG23 ILE A 37 1.016 1.174 0.714 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -3.592 1.197 2.315 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -3.684 1.730 0.619 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -3.167 0.071 1.004 1.00 0.00 H new ATOM 555 N GLN A 38 -0.376 2.674 -2.940 1.00 0.00 N ATOM 556 CA GLN A 38 0.408 2.643 -4.163 1.00 0.00 C ATOM 557 C GLN A 38 1.158 3.963 -4.347 1.00 0.00 C ATOM 558 O GLN A 38 2.260 3.984 -4.895 1.00 0.00 O ATOM 559 CB GLN A 38 -0.478 2.342 -5.374 1.00 0.00 C ATOM 560 CG GLN A 38 0.131 2.917 -6.655 1.00 0.00 C ATOM 561 CD GLN A 38 -0.526 4.248 -7.025 1.00 0.00 C ATOM 562 OE1 GLN A 38 -0.635 5.160 -6.222 1.00 0.00 O ATOM 563 NE2 GLN A 38 -0.956 4.308 -8.282 1.00 0.00 N ATOM 0 H GLN A 38 -1.380 2.553 -3.073 1.00 0.00 H new ATOM 0 HA GLN A 38 1.141 1.840 -4.081 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -0.603 1.264 -5.479 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -1.470 2.765 -5.217 1.00 0.00 H new ATOM 0 HG2 GLN A 38 1.203 3.062 -6.519 1.00 0.00 H new ATOM 0 HG3 GLN A 38 0.006 2.206 -7.472 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -0.833 3.507 -8.902 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -1.409 5.155 -8.626 1.00 0.00 H new ATOM 572 N ASP A 39 0.532 5.033 -3.880 1.00 0.00 N ATOM 573 CA ASP A 39 1.127 6.354 -3.986 1.00 0.00 C ATOM 574 C ASP A 39 1.955 6.638 -2.731 1.00 0.00 C ATOM 575 O ASP A 39 3.141 6.954 -2.824 1.00 0.00 O ATOM 576 CB ASP A 39 0.050 7.436 -4.096 1.00 0.00 C ATOM 577 CG ASP A 39 0.372 8.571 -5.070 1.00 0.00 C ATOM 578 OD1 ASP A 39 0.304 8.308 -6.290 1.00 0.00 O ATOM 579 OD2 ASP A 39 0.678 9.676 -4.572 1.00 0.00 O ATOM 0 H ASP A 39 -0.382 5.012 -3.427 1.00 0.00 H new ATOM 0 HA ASP A 39 1.750 6.372 -4.880 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -0.885 6.967 -4.404 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -0.118 7.863 -3.107 1.00 0.00 H new ATOM 584 N GLN A 40 1.299 6.516 -1.587 1.00 0.00 N ATOM 585 CA GLN A 40 1.960 6.755 -0.315 1.00 0.00 C ATOM 586 C GLN A 40 3.207 5.878 -0.192 1.00 0.00 C ATOM 587 O GLN A 40 4.308 6.384 0.018 1.00 0.00 O ATOM 588 CB GLN A 40 1.003 6.515 0.854 1.00 0.00 C ATOM 589 CG GLN A 40 -0.046 7.626 0.941 1.00 0.00 C ATOM 590 CD GLN A 40 -1.113 7.293 1.986 1.00 0.00 C ATOM 591 OE1 GLN A 40 -0.826 7.039 3.145 1.00 0.00 O ATOM 592 NE2 GLN A 40 -2.356 7.306 1.514 1.00 0.00 N ATOM 0 H GLN A 40 0.316 6.255 -1.514 1.00 0.00 H new ATOM 0 HA GLN A 40 2.270 7.800 -0.279 1.00 0.00 H new ATOM 0 HB2 GLN A 40 0.508 5.552 0.732 1.00 0.00 H new ATOM 0 HB3 GLN A 40 1.566 6.468 1.786 1.00 0.00 H new ATOM 0 HG2 GLN A 40 0.438 8.568 1.198 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -0.516 7.764 -0.033 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -2.527 7.527 0.533 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -3.139 7.095 2.133 1.00 0.00 H new ATOM 601 N LEU A 41 2.992 4.577 -0.327 1.00 0.00 N ATOM 602 CA LEU A 41 4.085 3.625 -0.233 1.00 0.00 C ATOM 603 C LEU A 41 4.848 3.598 -1.559 1.00 0.00 C ATOM 604 O LEU A 41 5.913 2.990 -1.655 1.00 0.00 O ATOM 605 CB LEU A 41 3.565 2.254 0.205 1.00 0.00 C ATOM 606 CG LEU A 41 2.695 2.238 1.463 1.00 0.00 C ATOM 607 CD1 LEU A 41 2.709 0.857 2.122 1.00 0.00 C ATOM 608 CD2 LEU A 41 3.117 3.341 2.436 1.00 0.00 C ATOM 0 H LEU A 41 2.077 4.161 -0.501 1.00 0.00 H new ATOM 0 HA LEU A 41 4.793 3.933 0.536 1.00 0.00 H new ATOM 0 HB2 LEU A 41 2.990 1.826 -0.616 1.00 0.00 H new ATOM 0 HB3 LEU A 41 4.420 1.599 0.370 1.00 0.00 H new ATOM 0 HG LEU A 41 1.666 2.444 1.169 1.00 0.00 H new ATOM 0 HD11 LEU A 41 2.083 0.873 3.014 1.00 0.00 H new ATOM 0 HD12 LEU A 41 2.324 0.116 1.422 1.00 0.00 H new ATOM 0 HD13 LEU A 41 3.730 0.597 2.400 1.00 0.00 H new ATOM 0 HD21 LEU A 41 2.482 3.307 3.322 1.00 0.00 H new ATOM 0 HD22 LEU A 41 4.156 3.190 2.728 1.00 0.00 H new ATOM 0 HD23 LEU A 41 3.013 4.312 1.952 1.00 0.00 H new ATOM 620 N GLN A 42 4.272 4.264 -2.550 1.00 0.00 N ATOM 621 CA GLN A 42 4.885 4.324 -3.866 1.00 0.00 C ATOM 622 C GLN A 42 5.089 2.913 -4.421 1.00 0.00 C ATOM 623 O GLN A 42 6.197 2.552 -4.815 1.00 0.00 O ATOM 624 CB GLN A 42 6.207 5.093 -3.821 1.00 0.00 C ATOM 625 CG GLN A 42 5.963 6.593 -3.646 1.00 0.00 C ATOM 626 CD GLN A 42 5.127 7.151 -4.800 1.00 0.00 C ATOM 627 OE1 GLN A 42 4.922 6.511 -5.818 1.00 0.00 O ATOM 628 NE2 GLN A 42 4.657 8.376 -4.584 1.00 0.00 N ATOM 0 H GLN A 42 3.388 4.766 -2.468 1.00 0.00 H new ATOM 0 HA GLN A 42 4.213 4.862 -4.534 1.00 0.00 H new ATOM 0 HB2 GLN A 42 6.820 4.722 -2.999 1.00 0.00 H new ATOM 0 HB3 GLN A 42 6.766 4.917 -4.740 1.00 0.00 H new ATOM 0 HG2 GLN A 42 5.451 6.774 -2.701 1.00 0.00 H new ATOM 0 HG3 GLN A 42 6.917 7.117 -3.597 1.00 0.00 H new ATOM 0 HE21 GLN A 42 4.867 8.856 -3.709 1.00 0.00 H new ATOM 0 HE22 GLN A 42 4.087 8.836 -5.294 1.00 0.00 H new ATOM 637 N ILE A 43 4.004 2.154 -4.434 1.00 0.00 N ATOM 638 CA ILE A 43 4.050 0.790 -4.935 1.00 0.00 C ATOM 639 C ILE A 43 2.947 0.596 -5.978 1.00 0.00 C ATOM 640 O ILE A 43 1.851 1.135 -5.835 1.00 0.00 O ATOM 641 CB ILE A 43 3.984 -0.208 -3.777 1.00 0.00 C ATOM 642 CG1 ILE A 43 5.069 0.084 -2.739 1.00 0.00 C ATOM 643 CG2 ILE A 43 4.053 -1.648 -4.290 1.00 0.00 C ATOM 644 CD1 ILE A 43 4.735 -0.571 -1.397 1.00 0.00 C ATOM 0 H ILE A 43 3.087 2.457 -4.106 1.00 0.00 H new ATOM 0 HA ILE A 43 4.999 0.600 -5.436 1.00 0.00 H new ATOM 0 HB ILE A 43 3.022 -0.090 -3.278 1.00 0.00 H new ATOM 0 HG12 ILE A 43 6.030 -0.285 -3.098 1.00 0.00 H new ATOM 0 HG13 ILE A 43 5.170 1.161 -2.607 1.00 0.00 H new ATOM 0 HG21 ILE A 43 4.004 -2.337 -3.447 1.00 0.00 H new ATOM 0 HG22 ILE A 43 3.215 -1.836 -4.961 1.00 0.00 H new ATOM 0 HG23 ILE A 43 4.989 -1.798 -4.828 1.00 0.00 H new ATOM 0 HD11 ILE A 43 5.522 -0.348 -0.677 1.00 0.00 H new ATOM 0 HD12 ILE A 43 3.786 -0.182 -1.029 1.00 0.00 H new ATOM 0 HD13 ILE A 43 4.659 -1.650 -1.528 1.00 0.00 H new ATOM 656 N PRO A 44 3.285 -0.195 -7.031 1.00 0.00 N ATOM 657 CA PRO A 44 2.336 -0.467 -8.097 1.00 0.00 C ATOM 658 C PRO A 44 1.272 -1.467 -7.642 1.00 0.00 C ATOM 659 O PRO A 44 1.597 -2.529 -7.113 1.00 0.00 O ATOM 660 CB PRO A 44 3.180 -0.982 -9.252 1.00 0.00 C ATOM 661 CG PRO A 44 4.501 -1.418 -8.641 1.00 0.00 C ATOM 662 CD PRO A 44 4.574 -0.850 -7.233 1.00 0.00 C ATOM 0 HA PRO A 44 1.773 0.417 -8.395 1.00 0.00 H new ATOM 0 HB2 PRO A 44 2.688 -1.815 -9.754 1.00 0.00 H new ATOM 0 HB3 PRO A 44 3.334 -0.205 -10.000 1.00 0.00 H new ATOM 0 HG2 PRO A 44 4.570 -2.506 -8.618 1.00 0.00 H new ATOM 0 HG3 PRO A 44 5.336 -1.058 -9.241 1.00 0.00 H new ATOM 0 HD2 PRO A 44 4.738 -1.637 -6.497 1.00 0.00 H new ATOM 0 HD3 PRO A 44 5.398 -0.143 -7.133 1.00 0.00 H new ATOM 670 N ILE A 45 0.020 -1.093 -7.865 1.00 0.00 N ATOM 671 CA ILE A 45 -1.094 -1.944 -7.484 1.00 0.00 C ATOM 672 C ILE A 45 -0.852 -3.360 -8.010 1.00 0.00 C ATOM 673 O ILE A 45 -0.914 -4.326 -7.252 1.00 0.00 O ATOM 674 CB ILE A 45 -2.418 -1.333 -7.950 1.00 0.00 C ATOM 675 CG1 ILE A 45 -2.547 0.118 -7.482 1.00 0.00 C ATOM 676 CG2 ILE A 45 -3.604 -2.189 -7.501 1.00 0.00 C ATOM 677 CD1 ILE A 45 -3.978 0.627 -7.665 1.00 0.00 C ATOM 0 H ILE A 45 -0.247 -0.212 -8.305 1.00 0.00 H new ATOM 0 HA ILE A 45 -1.166 -2.015 -6.399 1.00 0.00 H new ATOM 0 HB ILE A 45 -2.425 -1.321 -9.040 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -2.262 0.192 -6.433 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -1.858 0.748 -8.045 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -4.533 -1.733 -7.845 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -3.512 -3.189 -7.925 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -3.613 -2.256 -6.413 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -4.043 1.661 -7.325 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -4.251 0.574 -8.719 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -4.661 0.010 -7.082 1.00 0.00 H new ATOM 689 N HIS A 46 -0.581 -3.438 -9.305 1.00 0.00 N ATOM 690 CA HIS A 46 -0.328 -4.720 -9.941 1.00 0.00 C ATOM 691 C HIS A 46 0.634 -5.539 -9.079 1.00 0.00 C ATOM 692 O HIS A 46 0.646 -6.767 -9.151 1.00 0.00 O ATOM 693 CB HIS A 46 0.175 -4.526 -11.372 1.00 0.00 C ATOM 694 CG HIS A 46 0.845 -3.195 -11.613 1.00 0.00 C ATOM 695 ND1 HIS A 46 0.140 -2.007 -11.704 1.00 0.00 N ATOM 696 CD2 HIS A 46 2.160 -2.875 -11.780 1.00 0.00 C ATOM 697 CE1 HIS A 46 1.003 -1.024 -11.917 1.00 0.00 C ATOM 698 NE2 HIS A 46 2.254 -1.564 -11.964 1.00 0.00 N ATOM 0 H HIS A 46 -0.531 -2.634 -9.931 1.00 0.00 H new ATOM 0 HA HIS A 46 -1.259 -5.282 -10.019 1.00 0.00 H new ATOM 0 HB2 HIS A 46 0.879 -5.324 -11.610 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -0.666 -4.627 -12.058 1.00 0.00 H new ATOM 0 HD2 HIS A 46 2.986 -3.571 -11.765 1.00 0.00 H new ATOM 0 HE1 HIS A 46 0.758 0.021 -12.033 1.00 0.00 H new ATOM 0 HE2 HIS A 46 3.119 -1.046 -12.116 1.00 0.00 H new ATOM 706 N ASN A 47 1.419 -4.827 -8.284 1.00 0.00 N ATOM 707 CA ASN A 47 2.383 -5.473 -7.410 1.00 0.00 C ATOM 708 C ASN A 47 1.797 -5.579 -6.001 1.00 0.00 C ATOM 709 O ASN A 47 1.916 -6.616 -5.351 1.00 0.00 O ATOM 710 CB ASN A 47 3.678 -4.662 -7.323 1.00 0.00 C ATOM 711 CG ASN A 47 4.573 -4.927 -8.535 1.00 0.00 C ATOM 712 OD1 ASN A 47 4.159 -5.495 -9.533 1.00 0.00 O ATOM 713 ND2 ASN A 47 5.819 -4.484 -8.395 1.00 0.00 N ATOM 0 H ASN A 47 1.407 -3.809 -8.227 1.00 0.00 H new ATOM 0 HA ASN A 47 2.601 -6.459 -7.820 1.00 0.00 H new ATOM 0 HB2 ASN A 47 3.443 -3.599 -7.266 1.00 0.00 H new ATOM 0 HB3 ASN A 47 4.212 -4.920 -6.409 1.00 0.00 H new ATOM 0 HD21 ASN A 47 6.493 -4.611 -9.150 1.00 0.00 H new ATOM 0 HD22 ASN A 47 6.100 -4.017 -7.533 1.00 0.00 H new ATOM 720 N GLN A 48 1.175 -4.491 -5.569 1.00 0.00 N ATOM 721 CA GLN A 48 0.570 -4.448 -4.249 1.00 0.00 C ATOM 722 C GLN A 48 -0.406 -5.614 -4.075 1.00 0.00 C ATOM 723 O GLN A 48 -1.166 -5.935 -4.988 1.00 0.00 O ATOM 724 CB GLN A 48 -0.129 -3.109 -4.010 1.00 0.00 C ATOM 725 CG GLN A 48 0.866 -1.949 -4.087 1.00 0.00 C ATOM 726 CD GLN A 48 0.337 -0.721 -3.344 1.00 0.00 C ATOM 727 OE1 GLN A 48 1.004 -0.135 -2.507 1.00 0.00 O ATOM 728 NE2 GLN A 48 -0.896 -0.366 -3.695 1.00 0.00 N ATOM 0 H GLN A 48 1.077 -3.632 -6.111 1.00 0.00 H new ATOM 0 HA GLN A 48 1.360 -4.546 -3.505 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -0.915 -2.968 -4.751 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -0.610 -3.116 -3.032 1.00 0.00 H new ATOM 0 HG2 GLN A 48 1.820 -2.255 -3.658 1.00 0.00 H new ATOM 0 HG3 GLN A 48 1.053 -1.694 -5.130 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -1.399 -0.901 -4.403 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -1.339 0.441 -3.256 1.00 0.00 H new ATOM 737 N THR A 49 -0.352 -6.217 -2.896 1.00 0.00 N ATOM 738 CA THR A 49 -1.222 -7.341 -2.591 1.00 0.00 C ATOM 739 C THR A 49 -1.830 -7.180 -1.196 1.00 0.00 C ATOM 740 O THR A 49 -1.182 -7.479 -0.194 1.00 0.00 O ATOM 741 CB THR A 49 -0.408 -8.626 -2.755 1.00 0.00 C ATOM 742 OG1 THR A 49 0.134 -8.528 -4.069 1.00 0.00 O ATOM 743 CG2 THR A 49 -1.291 -9.875 -2.808 1.00 0.00 C ATOM 0 H THR A 49 0.280 -5.949 -2.141 1.00 0.00 H new ATOM 0 HA THR A 49 -2.068 -7.385 -3.277 1.00 0.00 H new ATOM 0 HB THR A 49 0.299 -8.716 -1.930 1.00 0.00 H new ATOM 0 HG1 THR A 49 0.980 -8.035 -4.038 1.00 0.00 H new ATOM 0 HG21 THR A 49 -0.664 -10.759 -2.925 1.00 0.00 H new ATOM 0 HG22 THR A 49 -1.863 -9.956 -1.884 1.00 0.00 H new ATOM 0 HG23 THR A 49 -1.975 -9.801 -3.653 1.00 0.00 H new ATOM 751 N LEU A 50 -3.068 -6.709 -1.176 1.00 0.00 N ATOM 752 CA LEU A 50 -3.771 -6.505 0.079 1.00 0.00 C ATOM 753 C LEU A 50 -4.453 -7.810 0.494 1.00 0.00 C ATOM 754 O LEU A 50 -4.991 -8.529 -0.347 1.00 0.00 O ATOM 755 CB LEU A 50 -4.730 -5.318 -0.030 1.00 0.00 C ATOM 756 CG LEU A 50 -4.082 -3.953 -0.273 1.00 0.00 C ATOM 757 CD1 LEU A 50 -4.943 -2.827 0.304 1.00 0.00 C ATOM 758 CD2 LEU A 50 -2.654 -3.919 0.273 1.00 0.00 C ATOM 0 H LEU A 50 -3.602 -6.463 -2.009 1.00 0.00 H new ATOM 0 HA LEU A 50 -3.069 -6.245 0.871 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -5.430 -5.515 -0.842 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -5.314 -5.263 0.889 1.00 0.00 H new ATOM 0 HG LEU A 50 -4.019 -3.792 -1.349 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -4.460 -1.868 0.118 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -5.923 -2.838 -0.172 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -5.060 -2.972 1.378 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -2.217 -2.938 0.087 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -2.670 -4.112 1.346 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -2.056 -4.683 -0.224 1.00 0.00 H new ATOM 770 N SER A 51 -4.409 -8.077 1.791 1.00 0.00 N ATOM 771 CA SER A 51 -5.016 -9.283 2.328 1.00 0.00 C ATOM 772 C SER A 51 -5.217 -9.140 3.838 1.00 0.00 C ATOM 773 O SER A 51 -4.495 -8.393 4.496 1.00 0.00 O ATOM 774 CB SER A 51 -4.161 -10.514 2.021 1.00 0.00 C ATOM 775 OG SER A 51 -4.708 -11.699 2.592 1.00 0.00 O ATOM 0 H SER A 51 -3.962 -7.479 2.486 1.00 0.00 H new ATOM 0 HA SER A 51 -5.986 -9.419 1.850 1.00 0.00 H new ATOM 0 HB2 SER A 51 -4.077 -10.637 0.941 1.00 0.00 H new ATOM 0 HB3 SER A 51 -3.152 -10.359 2.404 1.00 0.00 H new ATOM 0 HG SER A 51 -4.061 -12.091 3.215 1.00 0.00 H new ATOM 781 N THR A 52 -6.202 -9.868 4.344 1.00 0.00 N ATOM 782 CA THR A 52 -6.507 -9.831 5.764 1.00 0.00 C ATOM 783 C THR A 52 -5.873 -11.027 6.476 1.00 0.00 C ATOM 784 O THR A 52 -6.442 -11.561 7.428 1.00 0.00 O ATOM 785 CB THR A 52 -8.028 -9.768 5.919 1.00 0.00 C ATOM 786 OG1 THR A 52 -8.515 -10.684 4.942 1.00 0.00 O ATOM 787 CG2 THR A 52 -8.605 -8.419 5.486 1.00 0.00 C ATOM 0 H THR A 52 -6.799 -10.487 3.796 1.00 0.00 H new ATOM 0 HA THR A 52 -6.081 -8.947 6.238 1.00 0.00 H new ATOM 0 HB THR A 52 -8.295 -9.960 6.958 1.00 0.00 H new ATOM 0 HG1 THR A 52 -9.494 -10.707 4.975 1.00 0.00 H new ATOM 0 HG21 THR A 52 -9.687 -8.428 5.616 1.00 0.00 H new ATOM 0 HG22 THR A 52 -8.172 -7.626 6.096 1.00 0.00 H new ATOM 0 HG23 THR A 52 -8.367 -8.241 4.437 1.00 0.00 H new ATOM 795 N ASN A 53 -4.703 -11.413 5.989 1.00 0.00 N ATOM 796 CA ASN A 53 -3.985 -12.537 6.567 1.00 0.00 C ATOM 797 C ASN A 53 -2.481 -12.267 6.494 1.00 0.00 C ATOM 798 O ASN A 53 -1.997 -11.689 5.522 1.00 0.00 O ATOM 799 CB ASN A 53 -4.272 -13.828 5.798 1.00 0.00 C ATOM 800 CG ASN A 53 -4.743 -14.935 6.743 1.00 0.00 C ATOM 801 OD1 ASN A 53 -4.670 -14.825 7.956 1.00 0.00 O ATOM 802 ND2 ASN A 53 -5.229 -16.006 6.121 1.00 0.00 N ATOM 0 H ASN A 53 -4.234 -10.967 5.200 1.00 0.00 H new ATOM 0 HA ASN A 53 -4.314 -12.652 7.600 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -5.034 -13.643 5.041 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -3.373 -14.151 5.273 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -5.569 -16.800 6.663 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -5.261 -16.033 5.102 1.00 0.00 H new ATOM 809 N ARG A 54 -1.784 -12.698 7.535 1.00 0.00 N ATOM 810 CA ARG A 54 -0.344 -12.511 7.601 1.00 0.00 C ATOM 811 C ARG A 54 0.359 -13.446 6.615 1.00 0.00 C ATOM 812 O ARG A 54 1.414 -13.110 6.080 1.00 0.00 O ATOM 813 CB ARG A 54 0.182 -12.779 9.012 1.00 0.00 C ATOM 814 CG ARG A 54 0.010 -14.252 9.390 1.00 0.00 C ATOM 815 CD ARG A 54 1.283 -15.047 9.094 1.00 0.00 C ATOM 816 NE ARG A 54 1.882 -15.533 10.356 1.00 0.00 N ATOM 817 CZ ARG A 54 2.914 -16.385 10.419 1.00 0.00 C ATOM 818 NH1 ARG A 54 3.468 -16.851 9.291 1.00 0.00 N ATOM 819 NH2 ARG A 54 3.393 -16.772 11.610 1.00 0.00 N ATOM 0 H ARG A 54 -2.189 -13.176 8.340 1.00 0.00 H new ATOM 0 HA ARG A 54 -0.132 -11.475 7.338 1.00 0.00 H new ATOM 0 HB2 ARG A 54 1.236 -12.506 9.069 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -0.350 -12.152 9.728 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -0.235 -14.333 10.449 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -0.826 -14.678 8.836 1.00 0.00 H new ATOM 0 HD2 ARG A 54 1.052 -15.890 8.443 1.00 0.00 H new ATOM 0 HD3 ARG A 54 1.997 -14.420 8.561 1.00 0.00 H new ATOM 0 HE ARG A 54 1.484 -15.198 11.234 1.00 0.00 H new ATOM 0 HH11 ARG A 54 3.104 -16.557 8.385 1.00 0.00 H new ATOM 0 HH12 ARG A 54 4.254 -17.500 9.339 1.00 0.00 H new ATOM 0 HH21 ARG A 54 2.972 -16.418 12.469 1.00 0.00 H new ATOM 0 HH22 ARG A 54 4.179 -17.421 11.657 1.00 0.00 H new ATOM 833 N ASN A 55 -0.254 -14.602 6.405 1.00 0.00 N ATOM 834 CA ASN A 55 0.300 -15.588 5.493 1.00 0.00 C ATOM 835 C ASN A 55 0.626 -14.915 4.159 1.00 0.00 C ATOM 836 O ASN A 55 1.529 -15.350 3.445 1.00 0.00 O ATOM 837 CB ASN A 55 -0.702 -16.713 5.224 1.00 0.00 C ATOM 838 CG ASN A 55 -1.009 -17.492 6.504 1.00 0.00 C ATOM 839 OD1 ASN A 55 -0.252 -18.343 6.940 1.00 0.00 O ATOM 840 ND2 ASN A 55 -2.160 -17.154 7.079 1.00 0.00 N ATOM 0 H ASN A 55 -1.129 -14.878 6.851 1.00 0.00 H new ATOM 0 HA ASN A 55 1.197 -16.006 5.951 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -1.623 -16.295 4.819 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -0.300 -17.390 4.470 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -2.456 -17.617 7.939 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -2.747 -16.432 6.660 1.00 0.00 H new ATOM 847 N LEU A 56 -0.126 -13.866 3.861 1.00 0.00 N ATOM 848 CA LEU A 56 0.072 -13.129 2.625 1.00 0.00 C ATOM 849 C LEU A 56 1.499 -12.577 2.588 1.00 0.00 C ATOM 850 O LEU A 56 2.035 -12.303 1.515 1.00 0.00 O ATOM 851 CB LEU A 56 -1.007 -12.057 2.462 1.00 0.00 C ATOM 852 CG LEU A 56 -1.112 -11.417 1.076 1.00 0.00 C ATOM 853 CD1 LEU A 56 -0.347 -10.094 1.022 1.00 0.00 C ATOM 854 CD2 LEU A 56 -0.653 -12.389 -0.013 1.00 0.00 C ATOM 0 H LEU A 56 -0.874 -13.509 4.455 1.00 0.00 H new ATOM 0 HA LEU A 56 -0.036 -13.790 1.765 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -1.972 -12.500 2.710 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -0.821 -11.269 3.191 1.00 0.00 H new ATOM 0 HG LEU A 56 -2.161 -11.190 0.884 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -0.439 -9.661 0.026 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -0.761 -9.404 1.757 1.00 0.00 H new ATOM 0 HD13 LEU A 56 0.705 -10.273 1.245 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -0.738 -11.909 -0.988 1.00 0.00 H new ATOM 0 HD22 LEU A 56 0.385 -12.670 0.164 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -1.279 -13.281 0.008 1.00 0.00 H new ATOM 866 N LEU A 57 2.073 -12.431 3.773 1.00 0.00 N ATOM 867 CA LEU A 57 3.427 -11.916 3.890 1.00 0.00 C ATOM 868 C LEU A 57 4.422 -13.041 3.596 1.00 0.00 C ATOM 869 O LEU A 57 5.631 -12.815 3.576 1.00 0.00 O ATOM 870 CB LEU A 57 3.633 -11.254 5.254 1.00 0.00 C ATOM 871 CG LEU A 57 2.623 -10.168 5.632 1.00 0.00 C ATOM 872 CD1 LEU A 57 3.124 -9.344 6.819 1.00 0.00 C ATOM 873 CD2 LEU A 57 2.287 -9.289 4.425 1.00 0.00 C ATOM 0 H LEU A 57 1.626 -12.660 4.660 1.00 0.00 H new ATOM 0 HA LEU A 57 3.602 -11.133 3.152 1.00 0.00 H new ATOM 0 HB2 LEU A 57 3.607 -12.029 6.020 1.00 0.00 H new ATOM 0 HB3 LEU A 57 4.632 -10.817 5.277 1.00 0.00 H new ATOM 0 HG LEU A 57 1.699 -10.654 5.944 1.00 0.00 H new ATOM 0 HD11 LEU A 57 2.388 -8.579 7.068 1.00 0.00 H new ATOM 0 HD12 LEU A 57 3.273 -9.997 7.679 1.00 0.00 H new ATOM 0 HD13 LEU A 57 4.069 -8.867 6.558 1.00 0.00 H new ATOM 0 HD21 LEU A 57 1.567 -8.525 4.720 1.00 0.00 H new ATOM 0 HD22 LEU A 57 3.195 -8.810 4.060 1.00 0.00 H new ATOM 0 HD23 LEU A 57 1.859 -9.905 3.634 1.00 0.00 H new ATOM 885 N LEU A 58 3.876 -14.227 3.374 1.00 0.00 N ATOM 886 CA LEU A 58 4.701 -15.387 3.081 1.00 0.00 C ATOM 887 C LEU A 58 4.792 -15.574 1.565 1.00 0.00 C ATOM 888 O LEU A 58 5.819 -16.014 1.051 1.00 0.00 O ATOM 889 CB LEU A 58 4.177 -16.619 3.822 1.00 0.00 C ATOM 890 CG LEU A 58 3.807 -16.410 5.292 1.00 0.00 C ATOM 891 CD1 LEU A 58 3.219 -17.686 5.896 1.00 0.00 C ATOM 892 CD2 LEU A 58 5.006 -15.897 6.091 1.00 0.00 C ATOM 0 H LEU A 58 2.873 -14.410 3.391 1.00 0.00 H new ATOM 0 HA LEU A 58 5.717 -15.233 3.445 1.00 0.00 H new ATOM 0 HB2 LEU A 58 3.297 -16.988 3.295 1.00 0.00 H new ATOM 0 HB3 LEU A 58 4.934 -17.401 3.766 1.00 0.00 H new ATOM 0 HG LEU A 58 3.034 -15.644 5.344 1.00 0.00 H new ATOM 0 HD11 LEU A 58 2.965 -17.510 6.941 1.00 0.00 H new ATOM 0 HD12 LEU A 58 2.321 -17.968 5.347 1.00 0.00 H new ATOM 0 HD13 LEU A 58 3.952 -18.490 5.831 1.00 0.00 H new ATOM 0 HD21 LEU A 58 4.716 -15.757 7.132 1.00 0.00 H new ATOM 0 HD22 LEU A 58 5.818 -16.622 6.035 1.00 0.00 H new ATOM 0 HD23 LEU A 58 5.340 -14.946 5.676 1.00 0.00 H new ATOM 904 N ALA A 59 3.703 -15.230 0.892 1.00 0.00 N ATOM 905 CA ALA A 59 3.647 -15.354 -0.554 1.00 0.00 C ATOM 906 C ALA A 59 4.745 -14.491 -1.179 1.00 0.00 C ATOM 907 O ALA A 59 4.740 -13.270 -1.029 1.00 0.00 O ATOM 908 CB ALA A 59 2.251 -14.968 -1.046 1.00 0.00 C ATOM 0 H ALA A 59 2.853 -14.866 1.322 1.00 0.00 H new ATOM 0 HA ALA A 59 3.826 -16.385 -0.858 1.00 0.00 H new ATOM 0 HB1 ALA A 59 2.209 -15.061 -2.131 1.00 0.00 H new ATOM 0 HB2 ALA A 59 1.511 -15.630 -0.596 1.00 0.00 H new ATOM 0 HB3 ALA A 59 2.037 -13.938 -0.762 1.00 0.00 H new ATOM 914 N LYS A 60 5.659 -15.159 -1.867 1.00 0.00 N ATOM 915 CA LYS A 60 6.761 -14.468 -2.515 1.00 0.00 C ATOM 916 C LYS A 60 6.582 -14.543 -4.032 1.00 0.00 C ATOM 917 O LYS A 60 7.045 -13.666 -4.760 1.00 0.00 O ATOM 918 CB LYS A 60 8.102 -15.019 -2.025 1.00 0.00 C ATOM 919 CG LYS A 60 8.539 -14.329 -0.732 1.00 0.00 C ATOM 920 CD LYS A 60 9.028 -12.906 -1.009 1.00 0.00 C ATOM 921 CE LYS A 60 10.536 -12.788 -0.774 1.00 0.00 C ATOM 922 NZ LYS A 60 10.836 -12.790 0.675 1.00 0.00 N ATOM 0 H LYS A 60 5.659 -16.172 -1.990 1.00 0.00 H new ATOM 0 HA LYS A 60 6.760 -13.412 -2.245 1.00 0.00 H new ATOM 0 HB2 LYS A 60 8.019 -16.093 -1.858 1.00 0.00 H new ATOM 0 HB3 LYS A 60 8.861 -14.874 -2.793 1.00 0.00 H new ATOM 0 HG2 LYS A 60 7.705 -14.301 -0.031 1.00 0.00 H new ATOM 0 HG3 LYS A 60 9.334 -14.905 -0.259 1.00 0.00 H new ATOM 0 HD2 LYS A 60 8.794 -12.631 -2.038 1.00 0.00 H new ATOM 0 HD3 LYS A 60 8.500 -12.204 -0.364 1.00 0.00 H new ATOM 0 HE2 LYS A 60 11.052 -13.617 -1.259 1.00 0.00 H new ATOM 0 HE3 LYS A 60 10.910 -11.870 -1.228 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 11.863 -12.709 0.817 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 10.359 -11.985 1.129 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 10.497 -13.677 1.099 1.00 0.00 H new ATOM 936 N SER A 61 5.910 -15.600 -4.465 1.00 0.00 N ATOM 937 CA SER A 61 5.665 -15.801 -5.883 1.00 0.00 C ATOM 938 C SER A 61 4.351 -15.129 -6.287 1.00 0.00 C ATOM 939 O SER A 61 3.540 -14.778 -5.432 1.00 0.00 O ATOM 940 CB SER A 61 5.627 -17.291 -6.229 1.00 0.00 C ATOM 941 OG SER A 61 6.807 -17.711 -6.909 1.00 0.00 O ATOM 0 H SER A 61 5.528 -16.326 -3.859 1.00 0.00 H new ATOM 0 HA SER A 61 6.485 -15.347 -6.440 1.00 0.00 H new ATOM 0 HB2 SER A 61 5.509 -17.873 -5.315 1.00 0.00 H new ATOM 0 HB3 SER A 61 4.757 -17.496 -6.852 1.00 0.00 H new ATOM 0 HG SER A 61 6.745 -18.668 -7.111 1.00 0.00 H new ATOM 947 N PRO A 62 4.178 -14.965 -7.626 1.00 0.00 N ATOM 948 CA PRO A 62 2.976 -14.341 -8.154 1.00 0.00 C ATOM 949 C PRO A 62 1.784 -15.297 -8.082 1.00 0.00 C ATOM 950 O PRO A 62 0.646 -14.864 -7.906 1.00 0.00 O ATOM 951 CB PRO A 62 3.333 -13.943 -9.578 1.00 0.00 C ATOM 952 CG PRO A 62 4.554 -14.769 -9.948 1.00 0.00 C ATOM 953 CD PRO A 62 5.117 -15.368 -8.669 1.00 0.00 C ATOM 0 HA PRO A 62 2.666 -13.470 -7.576 1.00 0.00 H new ATOM 0 HB2 PRO A 62 2.505 -14.143 -10.259 1.00 0.00 H new ATOM 0 HB3 PRO A 62 3.549 -12.877 -9.643 1.00 0.00 H new ATOM 0 HG2 PRO A 62 4.283 -15.556 -10.651 1.00 0.00 H new ATOM 0 HG3 PRO A 62 5.302 -14.146 -10.439 1.00 0.00 H new ATOM 0 HD2 PRO A 62 5.190 -16.453 -8.739 1.00 0.00 H new ATOM 0 HD3 PRO A 62 6.120 -14.994 -8.465 1.00 0.00 H new ATOM 961 N SER A 63 2.086 -16.580 -8.220 1.00 0.00 N ATOM 962 CA SER A 63 1.054 -17.601 -8.173 1.00 0.00 C ATOM 963 C SER A 63 0.540 -17.759 -6.740 1.00 0.00 C ATOM 964 O SER A 63 -0.602 -18.165 -6.527 1.00 0.00 O ATOM 965 CB SER A 63 1.577 -18.939 -8.699 1.00 0.00 C ATOM 966 OG SER A 63 2.996 -19.031 -8.605 1.00 0.00 O ATOM 0 H SER A 63 3.031 -16.935 -8.364 1.00 0.00 H new ATOM 0 HA SER A 63 0.232 -17.286 -8.816 1.00 0.00 H new ATOM 0 HB2 SER A 63 1.123 -19.753 -8.134 1.00 0.00 H new ATOM 0 HB3 SER A 63 1.274 -19.064 -9.738 1.00 0.00 H new ATOM 0 HG SER A 63 3.291 -19.900 -8.949 1.00 0.00 H new ATOM 972 N ASP A 64 1.408 -17.431 -5.794 1.00 0.00 N ATOM 973 CA ASP A 64 1.056 -17.531 -4.388 1.00 0.00 C ATOM 974 C ASP A 64 0.033 -16.447 -4.044 1.00 0.00 C ATOM 975 O ASP A 64 -0.990 -16.729 -3.423 1.00 0.00 O ATOM 976 CB ASP A 64 2.283 -17.324 -3.498 1.00 0.00 C ATOM 977 CG ASP A 64 2.271 -18.113 -2.187 1.00 0.00 C ATOM 978 OD1 ASP A 64 1.153 -18.390 -1.701 1.00 0.00 O ATOM 979 OD2 ASP A 64 3.381 -18.421 -1.700 1.00 0.00 O ATOM 0 H ASP A 64 2.354 -17.096 -5.974 1.00 0.00 H new ATOM 0 HA ASP A 64 0.647 -18.526 -4.212 1.00 0.00 H new ATOM 0 HB2 ASP A 64 3.174 -17.600 -4.063 1.00 0.00 H new ATOM 0 HB3 ASP A 64 2.369 -16.263 -3.265 1.00 0.00 H new ATOM 984 N PHE A 65 0.346 -15.229 -4.462 1.00 0.00 N ATOM 985 CA PHE A 65 -0.534 -14.101 -4.206 1.00 0.00 C ATOM 986 C PHE A 65 -1.955 -14.393 -4.692 1.00 0.00 C ATOM 987 O PHE A 65 -2.909 -13.752 -4.253 1.00 0.00 O ATOM 988 CB PHE A 65 0.026 -12.911 -4.988 1.00 0.00 C ATOM 989 CG PHE A 65 1.306 -12.322 -4.392 1.00 0.00 C ATOM 990 CD1 PHE A 65 1.429 -12.186 -3.045 1.00 0.00 C ATOM 991 CD2 PHE A 65 2.320 -11.933 -5.210 1.00 0.00 C ATOM 992 CE1 PHE A 65 2.617 -11.639 -2.492 1.00 0.00 C ATOM 993 CE2 PHE A 65 3.508 -11.386 -4.658 1.00 0.00 C ATOM 994 CZ PHE A 65 3.632 -11.251 -3.310 1.00 0.00 C ATOM 0 H PHE A 65 1.196 -14.999 -4.976 1.00 0.00 H new ATOM 0 HA PHE A 65 -0.579 -13.899 -3.136 1.00 0.00 H new ATOM 0 HB2 PHE A 65 0.225 -13.224 -6.013 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -0.733 -12.130 -5.035 1.00 0.00 H new ATOM 0 HD1 PHE A 65 0.623 -12.494 -2.395 1.00 0.00 H new ATOM 0 HD2 PHE A 65 2.222 -12.040 -6.280 1.00 0.00 H new ATOM 0 HE1 PHE A 65 2.715 -11.531 -1.422 1.00 0.00 H new ATOM 0 HE2 PHE A 65 4.313 -11.077 -5.308 1.00 0.00 H new ATOM 0 HZ PHE A 65 4.536 -10.836 -2.890 1.00 0.00 H new ATOM 1004 N LEU A 66 -2.052 -15.360 -5.592 1.00 0.00 N ATOM 1005 CA LEU A 66 -3.341 -15.745 -6.142 1.00 0.00 C ATOM 1006 C LEU A 66 -4.119 -16.543 -5.096 1.00 0.00 C ATOM 1007 O LEU A 66 -5.321 -16.762 -5.244 1.00 0.00 O ATOM 1008 CB LEU A 66 -3.158 -16.484 -7.469 1.00 0.00 C ATOM 1009 CG LEU A 66 -2.394 -15.728 -8.559 1.00 0.00 C ATOM 1010 CD1 LEU A 66 -1.926 -16.680 -9.661 1.00 0.00 C ATOM 1011 CD2 LEU A 66 -3.232 -14.575 -9.115 1.00 0.00 C ATOM 0 H LEU A 66 -1.259 -15.889 -5.954 1.00 0.00 H new ATOM 0 HA LEU A 66 -3.935 -14.861 -6.375 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -2.637 -17.421 -7.271 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -4.143 -16.743 -7.857 1.00 0.00 H new ATOM 0 HG LEU A 66 -1.501 -15.291 -8.111 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -1.386 -16.117 -10.423 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -1.268 -17.436 -9.233 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -2.790 -17.166 -10.113 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -2.667 -14.054 -9.888 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -4.154 -14.969 -9.543 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -3.473 -13.880 -8.311 1.00 0.00 H new ATOM 1023 N ALA A 67 -3.404 -16.957 -4.060 1.00 0.00 N ATOM 1024 CA ALA A 67 -4.013 -17.727 -2.989 1.00 0.00 C ATOM 1025 C ALA A 67 -4.854 -16.796 -2.113 1.00 0.00 C ATOM 1026 O ALA A 67 -5.731 -17.252 -1.380 1.00 0.00 O ATOM 1027 CB ALA A 67 -2.922 -18.448 -2.194 1.00 0.00 C ATOM 0 H ALA A 67 -2.408 -16.773 -3.940 1.00 0.00 H new ATOM 0 HA ALA A 67 -4.678 -18.489 -3.394 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -3.379 -19.026 -1.390 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -2.372 -19.118 -2.855 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -2.237 -17.715 -1.769 1.00 0.00 H new ATOM 1033 N PHE A 68 -4.558 -15.509 -2.217 1.00 0.00 N ATOM 1034 CA PHE A 68 -5.276 -14.511 -1.443 1.00 0.00 C ATOM 1035 C PHE A 68 -6.061 -13.569 -2.358 1.00 0.00 C ATOM 1036 O PHE A 68 -5.499 -12.628 -2.917 1.00 0.00 O ATOM 1037 CB PHE A 68 -4.228 -13.701 -0.676 1.00 0.00 C ATOM 1038 CG PHE A 68 -3.344 -14.543 0.247 1.00 0.00 C ATOM 1039 CD1 PHE A 68 -2.374 -15.337 -0.280 1.00 0.00 C ATOM 1040 CD2 PHE A 68 -3.529 -14.496 1.593 1.00 0.00 C ATOM 1041 CE1 PHE A 68 -1.554 -16.119 0.576 1.00 0.00 C ATOM 1042 CE2 PHE A 68 -2.708 -15.277 2.450 1.00 0.00 C ATOM 1043 CZ PHE A 68 -1.738 -16.072 1.923 1.00 0.00 C ATOM 0 H PHE A 68 -3.830 -15.134 -2.826 1.00 0.00 H new ATOM 0 HA PHE A 68 -5.984 -14.998 -0.773 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -3.594 -13.177 -1.391 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -4.735 -12.940 -0.082 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -2.227 -15.373 -1.349 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -4.300 -13.865 2.011 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -0.784 -16.751 0.158 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -2.854 -15.240 3.519 1.00 0.00 H new ATOM 0 HZ PHE A 68 -1.114 -16.666 2.574 1.00 0.00 H new ATOM 1053 N THR A 69 -7.349 -13.855 -2.482 1.00 0.00 N ATOM 1054 CA THR A 69 -8.218 -13.045 -3.320 1.00 0.00 C ATOM 1055 C THR A 69 -9.402 -12.517 -2.507 1.00 0.00 C ATOM 1056 O THR A 69 -10.556 -12.711 -2.886 1.00 0.00 O ATOM 1057 CB THR A 69 -8.637 -13.891 -4.524 1.00 0.00 C ATOM 1058 OG1 THR A 69 -9.417 -14.939 -3.956 1.00 0.00 O ATOM 1059 CG2 THR A 69 -7.454 -14.615 -5.170 1.00 0.00 C ATOM 0 H THR A 69 -7.812 -14.636 -2.017 1.00 0.00 H new ATOM 0 HA THR A 69 -7.698 -12.161 -3.691 1.00 0.00 H new ATOM 0 HB THR A 69 -9.122 -13.255 -5.265 1.00 0.00 H new ATOM 0 HG1 THR A 69 -10.170 -14.555 -3.461 1.00 0.00 H new ATOM 0 HG21 THR A 69 -7.806 -15.201 -6.019 1.00 0.00 H new ATOM 0 HG22 THR A 69 -6.722 -13.883 -5.512 1.00 0.00 H new ATOM 0 HG23 THR A 69 -6.990 -15.278 -4.439 1.00 0.00 H new ATOM 1067 N ASP A 70 -9.075 -11.860 -1.404 1.00 0.00 N ATOM 1068 CA ASP A 70 -10.096 -11.303 -0.534 1.00 0.00 C ATOM 1069 C ASP A 70 -10.187 -9.792 -0.763 1.00 0.00 C ATOM 1070 O ASP A 70 -11.237 -9.190 -0.544 1.00 0.00 O ATOM 1071 CB ASP A 70 -9.754 -11.537 0.939 1.00 0.00 C ATOM 1072 CG ASP A 70 -9.106 -12.889 1.244 1.00 0.00 C ATOM 1073 OD1 ASP A 70 -7.956 -13.082 0.795 1.00 0.00 O ATOM 1074 OD2 ASP A 70 -9.776 -13.699 1.921 1.00 0.00 O ATOM 0 H ASP A 70 -8.117 -11.701 -1.093 1.00 0.00 H new ATOM 0 HA ASP A 70 -11.041 -11.794 -0.767 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -9.082 -10.746 1.271 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -10.667 -11.447 1.527 1.00 0.00 H new ATOM 1079 N MET A 71 -9.073 -9.225 -1.202 1.00 0.00 N ATOM 1080 CA MET A 71 -9.014 -7.797 -1.463 1.00 0.00 C ATOM 1081 C MET A 71 -8.505 -7.519 -2.879 1.00 0.00 C ATOM 1082 O MET A 71 -8.057 -6.413 -3.176 1.00 0.00 O ATOM 1083 CB MET A 71 -8.084 -7.130 -0.447 1.00 0.00 C ATOM 1084 CG MET A 71 -8.754 -7.031 0.926 1.00 0.00 C ATOM 1085 SD MET A 71 -9.407 -5.388 1.169 1.00 0.00 S ATOM 1086 CE MET A 71 -7.888 -4.450 1.193 1.00 0.00 C ATOM 0 H MET A 71 -8.205 -9.728 -1.383 1.00 0.00 H new ATOM 0 HA MET A 71 -10.020 -7.388 -1.371 1.00 0.00 H new ATOM 0 HB2 MET A 71 -7.160 -7.702 -0.364 1.00 0.00 H new ATOM 0 HB3 MET A 71 -7.813 -6.134 -0.796 1.00 0.00 H new ATOM 0 HG2 MET A 71 -9.556 -7.765 1.002 1.00 0.00 H new ATOM 0 HG3 MET A 71 -8.033 -7.264 1.709 1.00 0.00 H new ATOM 0 HE1 MET A 71 -8.090 -3.439 1.546 1.00 0.00 H new ATOM 0 HE2 MET A 71 -7.174 -4.931 1.861 1.00 0.00 H new ATOM 0 HE3 MET A 71 -7.471 -4.406 0.187 1.00 0.00 H new ATOM 1096 N ALA A 72 -8.592 -8.543 -3.716 1.00 0.00 N ATOM 1097 CA ALA A 72 -8.146 -8.423 -5.093 1.00 0.00 C ATOM 1098 C ALA A 72 -9.184 -7.634 -5.894 1.00 0.00 C ATOM 1099 O ALA A 72 -8.847 -6.983 -6.882 1.00 0.00 O ATOM 1100 CB ALA A 72 -7.899 -9.817 -5.673 1.00 0.00 C ATOM 0 H ALA A 72 -8.965 -9.459 -3.467 1.00 0.00 H new ATOM 0 HA ALA A 72 -7.204 -7.877 -5.145 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -7.564 -9.727 -6.706 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -7.133 -10.325 -5.086 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -8.823 -10.394 -5.640 1.00 0.00 H new ATOM 1106 N ASP A 73 -10.425 -7.717 -5.437 1.00 0.00 N ATOM 1107 CA ASP A 73 -11.514 -7.018 -6.098 1.00 0.00 C ATOM 1108 C ASP A 73 -11.390 -5.517 -5.828 1.00 0.00 C ATOM 1109 O ASP A 73 -11.429 -5.085 -4.677 1.00 0.00 O ATOM 1110 CB ASP A 73 -12.870 -7.484 -5.566 1.00 0.00 C ATOM 1111 CG ASP A 73 -14.082 -6.787 -6.187 1.00 0.00 C ATOM 1112 OD1 ASP A 73 -13.879 -6.101 -7.212 1.00 0.00 O ATOM 1113 OD2 ASP A 73 -15.185 -6.955 -5.623 1.00 0.00 O ATOM 0 H ASP A 73 -10.700 -8.258 -4.617 1.00 0.00 H new ATOM 0 HA ASP A 73 -11.453 -7.231 -7.165 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -12.961 -8.557 -5.735 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -12.893 -7.328 -4.487 1.00 0.00 H new ATOM 1118 N PRO A 74 -11.239 -4.744 -6.937 1.00 0.00 N ATOM 1119 CA PRO A 74 -11.110 -3.301 -6.831 1.00 0.00 C ATOM 1120 C PRO A 74 -12.459 -2.651 -6.518 1.00 0.00 C ATOM 1121 O PRO A 74 -12.511 -1.506 -6.070 1.00 0.00 O ATOM 1122 CB PRO A 74 -10.532 -2.859 -8.166 1.00 0.00 C ATOM 1123 CG PRO A 74 -10.794 -4.002 -9.132 1.00 0.00 C ATOM 1124 CD PRO A 74 -11.189 -5.222 -8.316 1.00 0.00 C ATOM 0 HA PRO A 74 -10.461 -2.996 -6.010 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -11.005 -1.940 -8.511 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -9.464 -2.656 -8.081 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -11.588 -3.737 -9.830 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -9.904 -4.212 -9.725 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -12.154 -5.616 -8.634 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -10.463 -6.027 -8.430 1.00 0.00 H new ATOM 1132 N ASN A 75 -13.517 -3.408 -6.768 1.00 0.00 N ATOM 1133 CA ASN A 75 -14.862 -2.920 -6.518 1.00 0.00 C ATOM 1134 C ASN A 75 -15.302 -3.344 -5.116 1.00 0.00 C ATOM 1135 O ASN A 75 -16.449 -3.123 -4.728 1.00 0.00 O ATOM 1136 CB ASN A 75 -15.856 -3.507 -7.523 1.00 0.00 C ATOM 1137 CG ASN A 75 -15.679 -2.872 -8.904 1.00 0.00 C ATOM 1138 OD1 ASN A 75 -16.055 -1.737 -9.147 1.00 0.00 O ATOM 1139 ND2 ASN A 75 -15.088 -3.666 -9.792 1.00 0.00 N ATOM 0 H ASN A 75 -13.470 -4.356 -7.141 1.00 0.00 H new ATOM 0 HA ASN A 75 -14.850 -1.834 -6.614 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -15.713 -4.585 -7.594 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -16.874 -3.343 -7.171 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -14.925 -3.335 -10.743 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -14.798 -4.606 -9.522 1.00 0.00 H new ATOM 1146 N LEU A 76 -14.368 -3.944 -4.393 1.00 0.00 N ATOM 1147 CA LEU A 76 -14.645 -4.401 -3.042 1.00 0.00 C ATOM 1148 C LEU A 76 -14.364 -3.264 -2.057 1.00 0.00 C ATOM 1149 O LEU A 76 -13.367 -2.555 -2.189 1.00 0.00 O ATOM 1150 CB LEU A 76 -13.867 -5.683 -2.740 1.00 0.00 C ATOM 1151 CG LEU A 76 -13.853 -6.130 -1.276 1.00 0.00 C ATOM 1152 CD1 LEU A 76 -14.622 -7.439 -1.095 1.00 0.00 C ATOM 1153 CD2 LEU A 76 -12.420 -6.229 -0.747 1.00 0.00 C ATOM 0 H LEU A 76 -13.418 -4.124 -4.718 1.00 0.00 H new ATOM 0 HA LEU A 76 -15.698 -4.663 -2.936 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -14.287 -6.489 -3.341 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -12.836 -5.545 -3.067 1.00 0.00 H new ATOM 0 HG LEU A 76 -14.364 -5.372 -0.682 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -14.596 -7.734 -0.046 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -15.657 -7.299 -1.407 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -14.162 -8.218 -1.702 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -12.438 -6.548 0.295 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -11.863 -6.955 -1.339 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -11.937 -5.254 -0.819 1.00 0.00 H new ATOM 1165 N ARG A 77 -15.260 -3.126 -1.091 1.00 0.00 N ATOM 1166 CA ARG A 77 -15.121 -2.088 -0.083 1.00 0.00 C ATOM 1167 C ARG A 77 -14.491 -2.662 1.187 1.00 0.00 C ATOM 1168 O ARG A 77 -14.756 -3.807 1.553 1.00 0.00 O ATOM 1169 CB ARG A 77 -16.478 -1.471 0.262 1.00 0.00 C ATOM 1170 CG ARG A 77 -17.188 -0.969 -0.997 1.00 0.00 C ATOM 1171 CD ARG A 77 -18.700 -1.182 -0.894 1.00 0.00 C ATOM 1172 NE ARG A 77 -19.407 -0.216 -1.764 1.00 0.00 N ATOM 1173 CZ ARG A 77 -20.680 -0.353 -2.160 1.00 0.00 C ATOM 1174 NH1 ARG A 77 -21.393 -1.417 -1.767 1.00 0.00 N ATOM 1175 NH2 ARG A 77 -21.239 0.574 -2.950 1.00 0.00 N ATOM 0 H ARG A 77 -16.085 -3.716 -0.985 1.00 0.00 H new ATOM 0 HA ARG A 77 -14.475 -1.311 -0.493 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -17.101 -2.211 0.764 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -16.339 -0.645 0.959 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -16.975 0.090 -1.141 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -16.802 -1.494 -1.871 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -18.953 -2.201 -1.187 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -19.024 -1.058 0.139 1.00 0.00 H new ATOM 0 HE ARG A 77 -18.893 0.606 -2.082 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -20.967 -2.123 -1.166 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -22.362 -1.521 -2.068 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -20.696 1.384 -3.250 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -22.208 0.470 -3.252 1.00 0.00 H new ATOM 1189 N ILE A 78 -13.670 -1.842 1.825 1.00 0.00 N ATOM 1190 CA ILE A 78 -13.001 -2.254 3.047 1.00 0.00 C ATOM 1191 C ILE A 78 -14.049 -2.635 4.094 1.00 0.00 C ATOM 1192 O ILE A 78 -13.739 -3.321 5.067 1.00 0.00 O ATOM 1193 CB ILE A 78 -12.028 -1.170 3.517 1.00 0.00 C ATOM 1194 CG1 ILE A 78 -12.773 0.120 3.867 1.00 0.00 C ATOM 1195 CG2 ILE A 78 -10.928 -0.933 2.481 1.00 0.00 C ATOM 1196 CD1 ILE A 78 -11.944 0.993 4.811 1.00 0.00 C ATOM 0 H ILE A 78 -13.453 -0.894 1.519 1.00 0.00 H new ATOM 0 HA ILE A 78 -12.392 -3.140 2.867 1.00 0.00 H new ATOM 0 HB ILE A 78 -11.542 -1.519 4.428 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -12.996 0.674 2.955 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -13.727 -0.122 4.334 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -10.251 -0.158 2.840 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -10.371 -1.857 2.323 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -11.377 -0.615 1.540 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -12.496 1.903 5.044 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -11.743 0.445 5.732 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -11.001 1.254 4.331 1.00 0.00 H new ATOM 1208 N SER A 79 -15.269 -2.174 3.859 1.00 0.00 N ATOM 1209 CA SER A 79 -16.365 -2.459 4.770 1.00 0.00 C ATOM 1210 C SER A 79 -16.676 -3.956 4.762 1.00 0.00 C ATOM 1211 O SER A 79 -17.041 -4.524 5.791 1.00 0.00 O ATOM 1212 CB SER A 79 -17.612 -1.655 4.398 1.00 0.00 C ATOM 1213 OG SER A 79 -18.541 -1.582 5.476 1.00 0.00 O ATOM 0 H SER A 79 -15.523 -1.605 3.051 1.00 0.00 H new ATOM 0 HA SER A 79 -16.061 -2.164 5.774 1.00 0.00 H new ATOM 0 HB2 SER A 79 -17.319 -0.647 4.103 1.00 0.00 H new ATOM 0 HB3 SER A 79 -18.094 -2.113 3.534 1.00 0.00 H new ATOM 0 HG SER A 79 -19.323 -1.059 5.199 1.00 0.00 H new ATOM 1219 N SER A 80 -16.522 -4.554 3.590 1.00 0.00 N ATOM 1220 CA SER A 80 -16.782 -5.975 3.435 1.00 0.00 C ATOM 1221 C SER A 80 -16.046 -6.764 4.520 1.00 0.00 C ATOM 1222 O SER A 80 -16.479 -7.849 4.905 1.00 0.00 O ATOM 1223 CB SER A 80 -16.362 -6.464 2.047 1.00 0.00 C ATOM 1224 OG SER A 80 -16.770 -7.808 1.808 1.00 0.00 O ATOM 0 H SER A 80 -16.220 -4.080 2.739 1.00 0.00 H new ATOM 0 HA SER A 80 -17.854 -6.139 3.540 1.00 0.00 H new ATOM 0 HB2 SER A 80 -16.795 -5.813 1.287 1.00 0.00 H new ATOM 0 HB3 SER A 80 -15.279 -6.391 1.950 1.00 0.00 H new ATOM 0 HG SER A 80 -16.629 -8.030 0.864 1.00 0.00 H new ATOM 1230 N LEU A 81 -14.946 -6.188 4.982 1.00 0.00 N ATOM 1231 CA LEU A 81 -14.146 -6.823 6.015 1.00 0.00 C ATOM 1232 C LEU A 81 -14.354 -6.087 7.340 1.00 0.00 C ATOM 1233 O LEU A 81 -14.107 -6.643 8.409 1.00 0.00 O ATOM 1234 CB LEU A 81 -12.681 -6.908 5.583 1.00 0.00 C ATOM 1235 CG LEU A 81 -12.415 -6.759 4.083 1.00 0.00 C ATOM 1236 CD1 LEU A 81 -10.953 -6.393 3.819 1.00 0.00 C ATOM 1237 CD2 LEU A 81 -12.836 -8.019 3.324 1.00 0.00 C ATOM 0 H LEU A 81 -14.590 -5.288 4.660 1.00 0.00 H new ATOM 0 HA LEU A 81 -14.470 -7.853 6.167 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -12.122 -6.135 6.110 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -12.282 -7.868 5.909 1.00 0.00 H new ATOM 0 HG LEU A 81 -13.025 -5.938 3.708 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -10.791 -6.293 2.746 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -10.720 -5.448 4.311 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -10.305 -7.176 4.212 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -12.636 -7.887 2.261 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -12.271 -8.874 3.696 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -13.901 -8.195 3.474 1.00 0.00 H new ATOM 1249 N ASN A 82 -14.807 -4.847 7.227 1.00 0.00 N ATOM 1250 CA ASN A 82 -15.051 -4.029 8.402 1.00 0.00 C ATOM 1251 C ASN A 82 -13.719 -3.493 8.931 1.00 0.00 C ATOM 1252 O ASN A 82 -13.311 -3.823 10.044 1.00 0.00 O ATOM 1253 CB ASN A 82 -15.707 -4.847 9.516 1.00 0.00 C ATOM 1254 CG ASN A 82 -16.615 -3.969 10.380 1.00 0.00 C ATOM 1255 OD1 ASN A 82 -17.020 -2.884 9.996 1.00 0.00 O ATOM 1256 ND2 ASN A 82 -16.911 -4.497 11.564 1.00 0.00 N ATOM 0 H ASN A 82 -15.011 -4.389 6.339 1.00 0.00 H new ATOM 0 HA ASN A 82 -15.715 -3.214 8.113 1.00 0.00 H new ATOM 0 HB2 ASN A 82 -16.288 -5.660 9.081 1.00 0.00 H new ATOM 0 HB3 ASN A 82 -14.937 -5.303 10.138 1.00 0.00 H new ATOM 0 HD21 ASN A 82 -17.511 -3.989 12.214 1.00 0.00 H new ATOM 0 HD22 ASN A 82 -16.538 -5.410 11.823 1.00 0.00 H new ATOM 1263 N LEU A 83 -13.078 -2.676 8.109 1.00 0.00 N ATOM 1264 CA LEU A 83 -11.800 -2.091 8.480 1.00 0.00 C ATOM 1265 C LEU A 83 -12.019 -0.648 8.940 1.00 0.00 C ATOM 1266 O LEU A 83 -12.425 0.204 8.151 1.00 0.00 O ATOM 1267 CB LEU A 83 -10.796 -2.225 7.333 1.00 0.00 C ATOM 1268 CG LEU A 83 -10.489 -3.652 6.874 1.00 0.00 C ATOM 1269 CD1 LEU A 83 -9.676 -3.648 5.578 1.00 0.00 C ATOM 1270 CD2 LEU A 83 -9.796 -4.447 7.983 1.00 0.00 C ATOM 0 H LEU A 83 -13.419 -2.405 7.187 1.00 0.00 H new ATOM 0 HA LEU A 83 -11.363 -2.631 9.320 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -11.173 -1.663 6.479 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -9.862 -1.753 7.637 1.00 0.00 H new ATOM 0 HG LEU A 83 -11.433 -4.153 6.660 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -9.471 -4.674 5.274 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -10.242 -3.143 4.795 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -8.735 -3.123 5.741 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -9.589 -5.458 7.631 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -8.860 -3.957 8.251 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -10.445 -4.493 8.858 1.00 0.00 H new ATOM 1282 N ALA A 84 -11.740 -0.419 10.215 1.00 0.00 N ATOM 1283 CA ALA A 84 -11.901 0.906 10.789 1.00 0.00 C ATOM 1284 C ALA A 84 -10.554 1.389 11.332 1.00 0.00 C ATOM 1285 O ALA A 84 -9.612 0.607 11.450 1.00 0.00 O ATOM 1286 CB ALA A 84 -12.984 0.866 11.869 1.00 0.00 C ATOM 0 H ALA A 84 -11.404 -1.128 10.866 1.00 0.00 H new ATOM 0 HA ALA A 84 -12.224 1.617 10.029 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -13.105 1.860 12.300 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -13.927 0.545 11.427 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -12.692 0.165 12.651 1.00 0.00 H new ATOM 1292 N HIS A 85 -10.507 2.675 11.648 1.00 0.00 N ATOM 1293 CA HIS A 85 -9.291 3.271 12.176 1.00 0.00 C ATOM 1294 C HIS A 85 -8.710 2.370 13.267 1.00 0.00 C ATOM 1295 O HIS A 85 -9.116 2.451 14.425 1.00 0.00 O ATOM 1296 CB HIS A 85 -9.553 4.698 12.661 1.00 0.00 C ATOM 1297 CG HIS A 85 -8.310 5.434 13.103 1.00 0.00 C ATOM 1298 ND1 HIS A 85 -8.185 6.810 13.022 1.00 0.00 N ATOM 1299 CD2 HIS A 85 -7.141 4.971 13.631 1.00 0.00 C ATOM 1300 CE1 HIS A 85 -6.990 7.149 13.483 1.00 0.00 C ATOM 1301 NE2 HIS A 85 -6.344 6.008 13.859 1.00 0.00 N ATOM 0 H HIS A 85 -11.291 3.320 11.549 1.00 0.00 H new ATOM 0 HA HIS A 85 -8.546 3.350 11.384 1.00 0.00 H new ATOM 0 HB2 HIS A 85 -10.031 5.261 11.859 1.00 0.00 H new ATOM 0 HB3 HIS A 85 -10.258 4.665 13.492 1.00 0.00 H new ATOM 0 HD2 HIS A 85 -6.904 3.936 13.830 1.00 0.00 H new ATOM 0 HE1 HIS A 85 -6.596 8.153 13.549 1.00 0.00 H new ATOM 0 HE2 HIS A 85 -5.404 5.959 14.251 1.00 0.00 H new ATOM 1309 N GLY A 86 -7.768 1.533 12.859 1.00 0.00 N ATOM 1310 CA GLY A 86 -7.126 0.618 13.788 1.00 0.00 C ATOM 1311 C GLY A 86 -7.011 -0.784 13.185 1.00 0.00 C ATOM 1312 O GLY A 86 -6.097 -1.535 13.522 1.00 0.00 O ATOM 0 H GLY A 86 -7.434 1.469 11.898 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -6.134 0.990 14.044 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -7.698 0.574 14.714 1.00 0.00 H new ATOM 1316 N SER A 87 -7.950 -1.093 12.304 1.00 0.00 N ATOM 1317 CA SER A 87 -7.966 -2.391 11.651 1.00 0.00 C ATOM 1318 C SER A 87 -6.564 -2.741 11.148 1.00 0.00 C ATOM 1319 O SER A 87 -5.718 -1.862 10.996 1.00 0.00 O ATOM 1320 CB SER A 87 -8.966 -2.414 10.493 1.00 0.00 C ATOM 1321 OG SER A 87 -8.807 -1.292 9.629 1.00 0.00 O ATOM 0 H SER A 87 -8.706 -0.467 12.027 1.00 0.00 H new ATOM 0 HA SER A 87 -8.280 -3.137 12.381 1.00 0.00 H new ATOM 0 HB2 SER A 87 -8.838 -3.333 9.921 1.00 0.00 H new ATOM 0 HB3 SER A 87 -9.981 -2.425 10.890 1.00 0.00 H new ATOM 0 HG SER A 87 -9.086 -0.477 10.097 1.00 0.00 H new ATOM 1327 N MET A 88 -6.361 -4.028 10.905 1.00 0.00 N ATOM 1328 CA MET A 88 -5.076 -4.505 10.423 1.00 0.00 C ATOM 1329 C MET A 88 -5.170 -4.952 8.962 1.00 0.00 C ATOM 1330 O MET A 88 -6.200 -5.467 8.532 1.00 0.00 O ATOM 1331 CB MET A 88 -4.610 -5.678 11.287 1.00 0.00 C ATOM 1332 CG MET A 88 -3.188 -6.104 10.913 1.00 0.00 C ATOM 1333 SD MET A 88 -2.012 -5.345 12.021 1.00 0.00 S ATOM 1334 CE MET A 88 -0.755 -4.858 10.851 1.00 0.00 C ATOM 0 H MET A 88 -7.065 -4.755 11.033 1.00 0.00 H new ATOM 0 HA MET A 88 -4.358 -3.687 10.488 1.00 0.00 H new ATOM 0 HB2 MET A 88 -4.644 -5.395 12.339 1.00 0.00 H new ATOM 0 HB3 MET A 88 -5.291 -6.520 11.161 1.00 0.00 H new ATOM 0 HG2 MET A 88 -3.100 -7.189 10.963 1.00 0.00 H new ATOM 0 HG3 MET A 88 -2.971 -5.814 9.885 1.00 0.00 H new ATOM 0 HE1 MET A 88 0.229 -5.105 11.250 1.00 0.00 H new ATOM 0 HE2 MET A 88 -0.908 -5.387 9.911 1.00 0.00 H new ATOM 0 HE3 MET A 88 -0.817 -3.784 10.677 1.00 0.00 H new ATOM 1344 N VAL A 89 -4.080 -4.737 8.240 1.00 0.00 N ATOM 1345 CA VAL A 89 -4.026 -5.111 6.837 1.00 0.00 C ATOM 1346 C VAL A 89 -2.576 -5.401 6.446 1.00 0.00 C ATOM 1347 O VAL A 89 -1.648 -4.849 7.035 1.00 0.00 O ATOM 1348 CB VAL A 89 -4.670 -4.020 5.979 1.00 0.00 C ATOM 1349 CG1 VAL A 89 -3.950 -2.683 6.162 1.00 0.00 C ATOM 1350 CG2 VAL A 89 -4.703 -4.429 4.505 1.00 0.00 C ATOM 0 H VAL A 89 -3.227 -4.309 8.600 1.00 0.00 H new ATOM 0 HA VAL A 89 -4.598 -6.022 6.663 1.00 0.00 H new ATOM 0 HB VAL A 89 -5.700 -3.894 6.314 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -4.427 -1.925 5.541 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -4.003 -2.382 7.208 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -2.906 -2.789 5.867 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -5.166 -3.636 3.918 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -3.686 -4.597 4.151 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -5.281 -5.346 4.395 1.00 0.00 H new ATOM 1360 N TYR A 90 -2.425 -6.267 5.454 1.00 0.00 N ATOM 1361 CA TYR A 90 -1.103 -6.636 4.978 1.00 0.00 C ATOM 1362 C TYR A 90 -0.938 -6.291 3.496 1.00 0.00 C ATOM 1363 O TYR A 90 -1.872 -6.449 2.711 1.00 0.00 O ATOM 1364 CB TYR A 90 -1.002 -8.153 5.150 1.00 0.00 C ATOM 1365 CG TYR A 90 -0.978 -8.613 6.609 1.00 0.00 C ATOM 1366 CD1 TYR A 90 0.178 -8.489 7.353 1.00 0.00 C ATOM 1367 CD2 TYR A 90 -2.112 -9.152 7.181 1.00 0.00 C ATOM 1368 CE1 TYR A 90 0.200 -8.922 8.726 1.00 0.00 C ATOM 1369 CE2 TYR A 90 -2.090 -9.585 8.555 1.00 0.00 C ATOM 1370 CZ TYR A 90 -0.935 -9.448 9.259 1.00 0.00 C ATOM 1371 OH TYR A 90 -0.914 -9.857 10.556 1.00 0.00 O ATOM 0 H TYR A 90 -3.196 -6.723 4.967 1.00 0.00 H new ATOM 0 HA TYR A 90 -0.332 -6.100 5.531 1.00 0.00 H new ATOM 0 HB2 TYR A 90 -1.846 -8.623 4.645 1.00 0.00 H new ATOM 0 HB3 TYR A 90 -0.098 -8.505 4.654 1.00 0.00 H new ATOM 0 HD1 TYR A 90 1.066 -8.067 6.905 1.00 0.00 H new ATOM 0 HD2 TYR A 90 -3.016 -9.249 6.599 1.00 0.00 H new ATOM 0 HE1 TYR A 90 1.098 -8.831 9.319 1.00 0.00 H new ATOM 0 HE2 TYR A 90 -2.971 -10.009 9.015 1.00 0.00 H new ATOM 0 HH TYR A 90 -1.794 -10.210 10.802 1.00 0.00 H new ATOM 1381 N LEU A 91 0.256 -5.828 3.159 1.00 0.00 N ATOM 1382 CA LEU A 91 0.555 -5.459 1.785 1.00 0.00 C ATOM 1383 C LEU A 91 1.808 -6.206 1.323 1.00 0.00 C ATOM 1384 O LEU A 91 2.874 -6.067 1.921 1.00 0.00 O ATOM 1385 CB LEU A 91 0.660 -3.939 1.649 1.00 0.00 C ATOM 1386 CG LEU A 91 1.348 -3.425 0.383 1.00 0.00 C ATOM 1387 CD1 LEU A 91 0.442 -3.592 -0.839 1.00 0.00 C ATOM 1388 CD2 LEU A 91 1.810 -1.977 0.559 1.00 0.00 C ATOM 0 H LEU A 91 1.028 -5.700 3.813 1.00 0.00 H new ATOM 0 HA LEU A 91 -0.258 -5.759 1.124 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -0.346 -3.520 1.688 1.00 0.00 H new ATOM 0 HB3 LEU A 91 1.199 -3.553 2.514 1.00 0.00 H new ATOM 0 HG LEU A 91 2.239 -4.029 0.209 1.00 0.00 H new ATOM 0 HD11 LEU A 91 0.955 -3.219 -1.726 1.00 0.00 H new ATOM 0 HD12 LEU A 91 0.204 -4.647 -0.974 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -0.479 -3.029 -0.689 1.00 0.00 H new ATOM 0 HD21 LEU A 91 2.296 -1.636 -0.355 1.00 0.00 H new ATOM 0 HD22 LEU A 91 0.949 -1.343 0.770 1.00 0.00 H new ATOM 0 HD23 LEU A 91 2.515 -1.918 1.388 1.00 0.00 H new ATOM 1400 N ALA A 92 1.638 -6.982 0.263 1.00 0.00 N ATOM 1401 CA ALA A 92 2.742 -7.751 -0.287 1.00 0.00 C ATOM 1402 C ALA A 92 2.959 -7.351 -1.748 1.00 0.00 C ATOM 1403 O ALA A 92 2.059 -7.493 -2.574 1.00 0.00 O ATOM 1404 CB ALA A 92 2.452 -9.245 -0.128 1.00 0.00 C ATOM 0 H ALA A 92 0.752 -7.095 -0.230 1.00 0.00 H new ATOM 0 HA ALA A 92 3.665 -7.539 0.253 1.00 0.00 H new ATOM 0 HB1 ALA A 92 3.280 -9.822 -0.540 1.00 0.00 H new ATOM 0 HB2 ALA A 92 2.335 -9.482 0.929 1.00 0.00 H new ATOM 0 HB3 ALA A 92 1.534 -9.496 -0.660 1.00 0.00 H new ATOM 1410 N TYR A 93 4.158 -6.858 -2.021 1.00 0.00 N ATOM 1411 CA TYR A 93 4.505 -6.436 -3.367 1.00 0.00 C ATOM 1412 C TYR A 93 5.867 -6.996 -3.783 1.00 0.00 C ATOM 1413 O TYR A 93 6.698 -7.311 -2.933 1.00 0.00 O ATOM 1414 CB TYR A 93 4.586 -4.909 -3.323 1.00 0.00 C ATOM 1415 CG TYR A 93 5.532 -4.367 -2.250 1.00 0.00 C ATOM 1416 CD1 TYR A 93 5.068 -4.147 -0.969 1.00 0.00 C ATOM 1417 CD2 TYR A 93 6.849 -4.097 -2.563 1.00 0.00 C ATOM 1418 CE1 TYR A 93 5.958 -3.637 0.042 1.00 0.00 C ATOM 1419 CE2 TYR A 93 7.739 -3.587 -1.552 1.00 0.00 C ATOM 1420 CZ TYR A 93 7.249 -3.382 -0.300 1.00 0.00 C ATOM 1421 OH TYR A 93 8.090 -2.900 0.654 1.00 0.00 O ATOM 0 H TYR A 93 4.902 -6.741 -1.333 1.00 0.00 H new ATOM 0 HA TYR A 93 3.766 -6.794 -4.084 1.00 0.00 H new ATOM 0 HB2 TYR A 93 4.911 -4.544 -4.297 1.00 0.00 H new ATOM 0 HB3 TYR A 93 3.588 -4.507 -3.149 1.00 0.00 H new ATOM 0 HD1 TYR A 93 4.037 -4.357 -0.725 1.00 0.00 H new ATOM 0 HD2 TYR A 93 7.212 -4.268 -3.566 1.00 0.00 H new ATOM 0 HE1 TYR A 93 5.608 -3.461 1.048 1.00 0.00 H new ATOM 0 HE2 TYR A 93 8.772 -3.372 -1.783 1.00 0.00 H new ATOM 0 HH TYR A 93 8.947 -2.661 0.244 1.00 0.00 H new ATOM 1431 N GLU A 94 6.053 -7.102 -5.091 1.00 0.00 N ATOM 1432 CA GLU A 94 7.300 -7.618 -5.630 1.00 0.00 C ATOM 1433 C GLU A 94 8.275 -6.471 -5.902 1.00 0.00 C ATOM 1434 O GLU A 94 7.897 -5.453 -6.481 1.00 0.00 O ATOM 1435 CB GLU A 94 7.052 -8.438 -6.897 1.00 0.00 C ATOM 1436 CG GLU A 94 6.989 -7.536 -8.131 1.00 0.00 C ATOM 1437 CD GLU A 94 6.563 -8.328 -9.369 1.00 0.00 C ATOM 1438 OE1 GLU A 94 5.778 -9.284 -9.188 1.00 0.00 O ATOM 1439 OE2 GLU A 94 7.032 -7.961 -10.467 1.00 0.00 O ATOM 0 H GLU A 94 5.361 -6.839 -5.793 1.00 0.00 H new ATOM 0 HA GLU A 94 7.747 -8.281 -4.889 1.00 0.00 H new ATOM 0 HB2 GLU A 94 7.847 -9.173 -7.020 1.00 0.00 H new ATOM 0 HB3 GLU A 94 6.118 -8.992 -6.799 1.00 0.00 H new ATOM 0 HG2 GLU A 94 6.285 -6.723 -7.955 1.00 0.00 H new ATOM 0 HG3 GLU A 94 7.965 -7.082 -8.304 1.00 0.00 H new ATOM 1446 N GLY A 95 9.512 -6.673 -5.471 1.00 0.00 N ATOM 1447 CA GLY A 95 10.544 -5.668 -5.661 1.00 0.00 C ATOM 1448 C GLY A 95 10.364 -4.505 -4.684 1.00 0.00 C ATOM 1449 O GLY A 95 9.478 -4.538 -3.831 1.00 0.00 O ATOM 0 H GLY A 95 9.822 -7.518 -4.991 1.00 0.00 H new ATOM 0 HA2 GLY A 95 11.526 -6.119 -5.518 1.00 0.00 H new ATOM 0 HA3 GLY A 95 10.510 -5.296 -6.685 1.00 0.00 H new ATOM 1453 N GLU A 96 11.218 -3.504 -4.840 1.00 0.00 N ATOM 1454 CA GLU A 96 11.163 -2.333 -3.983 1.00 0.00 C ATOM 1455 C GLU A 96 10.073 -1.373 -4.463 1.00 0.00 C ATOM 1456 O GLU A 96 9.359 -1.668 -5.421 1.00 0.00 O ATOM 1457 CB GLU A 96 12.523 -1.633 -3.924 1.00 0.00 C ATOM 1458 CG GLU A 96 13.329 -2.102 -2.711 1.00 0.00 C ATOM 1459 CD GLU A 96 13.960 -0.915 -1.980 1.00 0.00 C ATOM 1460 OE1 GLU A 96 14.571 -0.078 -2.678 1.00 0.00 O ATOM 1461 OE2 GLU A 96 13.817 -0.872 -0.739 1.00 0.00 O ATOM 0 H GLU A 96 11.952 -3.480 -5.548 1.00 0.00 H new ATOM 0 HA GLU A 96 10.913 -2.658 -2.973 1.00 0.00 H new ATOM 0 HB2 GLU A 96 13.081 -1.838 -4.837 1.00 0.00 H new ATOM 0 HB3 GLU A 96 12.379 -0.554 -3.874 1.00 0.00 H new ATOM 0 HG2 GLU A 96 12.680 -2.651 -2.029 1.00 0.00 H new ATOM 0 HG3 GLU A 96 14.109 -2.792 -3.033 1.00 0.00 H new ATOM 1468 N ARG A 97 9.978 -0.244 -3.776 1.00 0.00 N ATOM 1469 CA ARG A 97 8.986 0.760 -4.120 1.00 0.00 C ATOM 1470 C ARG A 97 9.470 1.599 -5.304 1.00 0.00 C ATOM 1471 O ARG A 97 10.397 1.206 -6.011 1.00 0.00 O ATOM 1472 CB ARG A 97 8.701 1.682 -2.933 1.00 0.00 C ATOM 1473 CG ARG A 97 8.501 0.876 -1.648 1.00 0.00 C ATOM 1474 CD ARG A 97 8.005 1.771 -0.511 1.00 0.00 C ATOM 1475 NE ARG A 97 8.849 1.578 0.690 1.00 0.00 N ATOM 1476 CZ ARG A 97 10.050 2.146 0.864 1.00 0.00 C ATOM 1477 NH1 ARG A 97 10.556 2.947 -0.085 1.00 0.00 N ATOM 1478 NH2 ARG A 97 10.745 1.914 1.985 1.00 0.00 N ATOM 0 H ARG A 97 10.572 -0.002 -2.983 1.00 0.00 H new ATOM 0 HA ARG A 97 8.067 0.240 -4.390 1.00 0.00 H new ATOM 0 HB2 ARG A 97 9.528 2.380 -2.804 1.00 0.00 H new ATOM 0 HB3 ARG A 97 7.810 2.277 -3.136 1.00 0.00 H new ATOM 0 HG2 ARG A 97 7.783 0.075 -1.825 1.00 0.00 H new ATOM 0 HG3 ARG A 97 9.441 0.404 -1.361 1.00 0.00 H new ATOM 0 HD2 ARG A 97 8.033 2.816 -0.821 1.00 0.00 H new ATOM 0 HD3 ARG A 97 6.967 1.535 -0.278 1.00 0.00 H new ATOM 0 HE ARG A 97 8.494 0.975 1.432 1.00 0.00 H new ATOM 0 HH11 ARG A 97 10.027 3.124 -0.939 1.00 0.00 H new ATOM 0 HH12 ARG A 97 11.470 3.380 0.047 1.00 0.00 H new ATOM 0 HH21 ARG A 97 10.360 1.305 2.707 1.00 0.00 H new ATOM 0 HH22 ARG A 97 11.659 2.347 2.117 1.00 0.00 H new ATOM 1492 N THR A 98 8.820 2.740 -5.485 1.00 0.00 N ATOM 1493 CA THR A 98 9.173 3.638 -6.572 1.00 0.00 C ATOM 1494 C THR A 98 9.534 5.020 -6.025 1.00 0.00 C ATOM 1495 O THR A 98 9.595 5.216 -4.812 1.00 0.00 O ATOM 1496 CB THR A 98 8.007 3.662 -7.562 1.00 0.00 C ATOM 1497 OG1 THR A 98 6.855 3.826 -6.739 1.00 0.00 O ATOM 1498 CG2 THR A 98 7.789 2.309 -8.243 1.00 0.00 C ATOM 0 H THR A 98 8.051 3.063 -4.897 1.00 0.00 H new ATOM 0 HA THR A 98 10.060 3.290 -7.101 1.00 0.00 H new ATOM 0 HB THR A 98 8.190 4.424 -8.319 1.00 0.00 H new ATOM 0 HG1 THR A 98 6.609 2.963 -6.345 1.00 0.00 H new ATOM 0 HG21 THR A 98 6.950 2.381 -8.935 1.00 0.00 H new ATOM 0 HG22 THR A 98 8.689 2.028 -8.791 1.00 0.00 H new ATOM 0 HG23 THR A 98 7.573 1.553 -7.489 1.00 0.00 H new