USER MOD reduce.3.24.130724 H: found=0, std=0, add=496, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 497 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 13 LYS NZ :NH3+ -164:sc= -0.054! (180deg=0) USER MOD Set 1.2: A 54 ASN : amide:sc= -3.44! C(o=-3.5!,f=-20!) USER MOD Single : A 5 ASN : amide:sc= -4.68! C(o=-4.7!,f=-11!) USER MOD Single : A 7 LYS NZ :NH3+ -142:sc= 0.669 (180deg=-3.44!) USER MOD Single : A 12 LYS NZ :NH3+ 144:sc= 0 (180deg=-0.168) USER MOD Single : A 14 LYS NZ :NH3+ 162:sc= 0.264 (180deg=-1.35!) USER MOD Single : A 16 SER OG : rot 99:sc= 1.15 USER MOD Single : A 17 GLN : amide:sc= -0.144 X(o=-0.14,f=-0.33) USER MOD Single : A 18 SER OG : rot 108:sc= 1.2 USER MOD Single : A 27 SER OG : rot 180:sc= 0.0119 USER MOD Single : A 29 GLN : amide:sc= -0.199 X(o=-0.2,f=-0.2) USER MOD Single : A 30 THR OG1 : rot 106:sc= 0.986 USER MOD Single : A 32 ASN : amide:sc= -1.55! K(o=-1.5!,f=-0.28) USER MOD Single : A 36 LYS NZ :NH3+ -168:sc= -0.0202 (180deg=-0.29) USER MOD Single : A 37 ASN : amide:sc= -1.54 X(o=-1.5,f=-1.8) USER MOD Single : A 38 LYS NZ :NH3+ -152:sc= -0.0994 (180deg=-0.622) USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 ASN : amide:sc= 0.527 K(o=0.53,f=-1.3) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 44 GLN : amide:sc= 0 X(o=0,f=-0.07) USER MOD Single : A 48 LYS NZ :NH3+ -179:sc= -0.666! (180deg=-0.777!) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 THR OG1 : rot 88:sc= -0.29 USER MOD ----------------------------------------------------------------- ATOM 70 N ASN A 5 -6.855 -4.552 6.881 1.00 0.00 N ATOM 71 CA ASN A 5 -5.709 -3.724 7.258 1.00 0.00 C ATOM 72 C ASN A 5 -4.427 -4.275 6.626 1.00 0.00 C ATOM 73 O ASN A 5 -4.461 -5.278 5.915 1.00 0.00 O ATOM 74 CB ASN A 5 -5.577 -3.688 8.787 1.00 0.00 C ATOM 75 CG ASN A 5 -4.741 -2.490 9.243 1.00 0.00 C ATOM 76 OD1 ASN A 5 -3.914 -1.974 8.490 1.00 0.00 O ATOM 77 ND2 ASN A 5 -4.913 -2.005 10.435 1.00 0.00 N ATOM 0 HA ASN A 5 -5.866 -2.710 6.892 1.00 0.00 H new ATOM 0 HB2 ASN A 5 -6.568 -3.636 9.239 1.00 0.00 H new ATOM 0 HB3 ASN A 5 -5.115 -4.611 9.136 1.00 0.00 H new ATOM 0 HD21 ASN A 5 -4.365 -1.202 10.743 1.00 0.00 H new ATOM 0 HD22 ASN A 5 -5.596 -2.427 11.064 1.00 0.00 H new ATOM 84 N LEU A 6 -3.306 -3.631 6.889 1.00 0.00 N ATOM 85 CA LEU A 6 -2.031 -4.025 6.294 1.00 0.00 C ATOM 86 C LEU A 6 -1.640 -5.445 6.679 1.00 0.00 C ATOM 87 O LEU A 6 -1.184 -6.219 5.826 1.00 0.00 O ATOM 88 CB LEU A 6 -0.922 -3.036 6.677 1.00 0.00 C ATOM 89 CG LEU A 6 -1.155 -1.698 5.950 1.00 0.00 C ATOM 90 CD1 LEU A 6 -0.172 -0.649 6.472 1.00 0.00 C ATOM 91 CD2 LEU A 6 -0.928 -1.888 4.444 1.00 0.00 C ATOM 0 H LEU A 6 -3.247 -2.827 7.514 1.00 0.00 H new ATOM 0 HA LEU A 6 -2.158 -4.003 5.212 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -0.916 -2.880 7.756 1.00 0.00 H new ATOM 0 HB3 LEU A 6 0.053 -3.444 6.408 1.00 0.00 H new ATOM 0 HG LEU A 6 -2.177 -1.365 6.132 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -0.340 0.296 5.955 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -0.323 -0.509 7.542 1.00 0.00 H new ATOM 0 HD13 LEU A 6 0.849 -0.985 6.291 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -1.093 -0.942 3.929 1.00 0.00 H new ATOM 0 HD22 LEU A 6 0.095 -2.223 4.270 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -1.624 -2.635 4.062 1.00 0.00 H new ATOM 103 N LYS A 7 -1.872 -5.822 7.935 1.00 0.00 N ATOM 104 CA LYS A 7 -1.566 -7.183 8.341 1.00 0.00 C ATOM 105 C LYS A 7 -2.271 -8.156 7.412 1.00 0.00 C ATOM 106 O LYS A 7 -1.682 -9.135 6.957 1.00 0.00 O ATOM 107 CB LYS A 7 -1.949 -7.451 9.814 1.00 0.00 C ATOM 108 CG LYS A 7 -3.445 -7.798 9.941 1.00 0.00 C ATOM 109 CD LYS A 7 -3.796 -8.074 11.414 1.00 0.00 C ATOM 110 CE LYS A 7 -3.739 -9.588 11.703 1.00 0.00 C ATOM 111 NZ LYS A 7 -4.686 -10.316 10.816 1.00 0.00 N ATOM 0 H LYS A 7 -2.258 -5.223 8.665 1.00 0.00 H new ATOM 0 HA LYS A 7 -0.488 -7.326 8.269 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -1.347 -8.271 10.207 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -1.723 -6.572 10.418 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -4.051 -6.976 9.562 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -3.677 -8.672 9.333 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -3.100 -7.546 12.066 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -4.793 -7.692 11.635 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -2.726 -9.958 11.547 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -3.989 -9.776 12.747 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -5.131 -11.092 11.346 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -5.420 -9.661 10.480 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -4.170 -10.705 10.001 1.00 0.00 H new ATOM 125 N LEU A 8 -3.511 -7.832 7.072 1.00 0.00 N ATOM 126 CA LEU A 8 -4.286 -8.641 6.142 1.00 0.00 C ATOM 127 C LEU A 8 -3.625 -8.653 4.779 1.00 0.00 C ATOM 128 O LEU A 8 -3.530 -9.694 4.135 1.00 0.00 O ATOM 129 CB LEU A 8 -5.736 -8.140 6.023 1.00 0.00 C ATOM 130 CG LEU A 8 -6.536 -8.422 7.317 1.00 0.00 C ATOM 131 CD1 LEU A 8 -6.218 -9.808 7.884 1.00 0.00 C ATOM 132 CD2 LEU A 8 -6.247 -7.352 8.371 1.00 0.00 C ATOM 0 H LEU A 8 -4.003 -7.012 7.428 1.00 0.00 H new ATOM 0 HA LEU A 8 -4.317 -9.657 6.536 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -5.737 -7.069 5.818 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -6.223 -8.627 5.178 1.00 0.00 H new ATOM 0 HG LEU A 8 -7.595 -8.395 7.058 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -6.798 -9.971 8.792 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -6.474 -10.570 7.148 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -5.155 -9.871 8.116 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -6.818 -7.567 9.274 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -5.183 -7.351 8.607 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -6.534 -6.374 7.985 1.00 0.00 H new ATOM 144 N ILE A 9 -3.113 -7.505 4.365 1.00 0.00 N ATOM 145 CA ILE A 9 -2.427 -7.416 3.090 1.00 0.00 C ATOM 146 C ILE A 9 -1.208 -8.328 3.125 1.00 0.00 C ATOM 147 O ILE A 9 -0.966 -9.092 2.186 1.00 0.00 O ATOM 148 CB ILE A 9 -2.020 -5.963 2.756 1.00 0.00 C ATOM 149 CG1 ILE A 9 -3.247 -5.032 2.822 1.00 0.00 C ATOM 150 CG2 ILE A 9 -1.428 -5.907 1.342 1.00 0.00 C ATOM 151 CD1 ILE A 9 -4.309 -5.462 1.802 1.00 0.00 C ATOM 0 H ILE A 9 -3.159 -6.631 4.889 1.00 0.00 H new ATOM 0 HA ILE A 9 -3.107 -7.738 2.301 1.00 0.00 H new ATOM 0 HB ILE A 9 -1.280 -5.633 3.485 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -3.671 -5.051 3.826 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -2.941 -4.005 2.625 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -1.141 -4.882 1.108 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -0.550 -6.550 1.290 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -2.172 -6.249 0.622 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -5.166 -4.792 1.865 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -3.888 -5.418 0.798 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -4.629 -6.482 2.017 1.00 0.00 H new ATOM 163 N ARG A 10 -0.483 -8.316 4.240 1.00 0.00 N ATOM 164 CA ARG A 10 0.649 -9.222 4.378 1.00 0.00 C ATOM 165 C ARG A 10 0.145 -10.651 4.249 1.00 0.00 C ATOM 166 O ARG A 10 0.764 -11.481 3.584 1.00 0.00 O ATOM 167 CB ARG A 10 1.349 -9.072 5.731 1.00 0.00 C ATOM 168 CG ARG A 10 2.607 -9.964 5.730 1.00 0.00 C ATOM 169 CD ARG A 10 3.300 -9.914 7.090 1.00 0.00 C ATOM 170 NE ARG A 10 2.465 -10.557 8.109 1.00 0.00 N ATOM 171 CZ ARG A 10 2.549 -11.873 8.400 1.00 0.00 C ATOM 172 NH1 ARG A 10 3.382 -12.652 7.749 1.00 0.00 N ATOM 173 NH2 ARG A 10 1.791 -12.378 9.331 1.00 0.00 N ATOM 0 H ARG A 10 -0.653 -7.706 5.040 1.00 0.00 H new ATOM 0 HA ARG A 10 1.370 -8.979 3.598 1.00 0.00 H new ATOM 0 HB2 ARG A 10 1.622 -8.031 5.903 1.00 0.00 H new ATOM 0 HB3 ARG A 10 0.678 -9.363 6.539 1.00 0.00 H new ATOM 0 HG2 ARG A 10 2.331 -10.992 5.494 1.00 0.00 H new ATOM 0 HG3 ARG A 10 3.295 -9.632 4.952 1.00 0.00 H new ATOM 0 HD2 ARG A 10 4.266 -10.415 7.032 1.00 0.00 H new ATOM 0 HD3 ARG A 10 3.494 -8.878 7.369 1.00 0.00 H new ATOM 0 HE ARG A 10 1.792 -9.986 8.620 1.00 0.00 H new ATOM 0 HH11 ARG A 10 3.974 -12.265 7.015 1.00 0.00 H new ATOM 0 HH12 ARG A 10 3.437 -13.645 7.978 1.00 0.00 H new ATOM 0 HH21 ARG A 10 1.137 -11.780 9.837 1.00 0.00 H new ATOM 0 HH22 ARG A 10 1.851 -13.371 9.554 1.00 0.00 H new ATOM 187 N GLU A 11 -0.988 -10.932 4.887 1.00 0.00 N ATOM 188 CA GLU A 11 -1.575 -12.269 4.822 1.00 0.00 C ATOM 189 C GLU A 11 -1.971 -12.552 3.373 1.00 0.00 C ATOM 190 O GLU A 11 -1.731 -13.645 2.845 1.00 0.00 O ATOM 191 CB GLU A 11 -2.820 -12.350 5.719 1.00 0.00 C ATOM 192 CG GLU A 11 -2.418 -12.184 7.198 1.00 0.00 C ATOM 193 CD GLU A 11 -3.647 -12.184 8.092 1.00 0.00 C ATOM 194 OE1 GLU A 11 -4.695 -12.603 7.640 1.00 0.00 O ATOM 195 OE2 GLU A 11 -3.522 -11.787 9.232 1.00 0.00 O ATOM 0 H GLU A 11 -1.513 -10.262 5.449 1.00 0.00 H new ATOM 0 HA GLU A 11 -0.849 -13.005 5.169 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -3.532 -11.574 5.438 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -3.320 -13.308 5.575 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -1.749 -12.993 7.491 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -1.868 -11.252 7.328 1.00 0.00 H new ATOM 202 N LYS A 12 -2.511 -11.537 2.721 1.00 0.00 N ATOM 203 CA LYS A 12 -2.864 -11.624 1.314 1.00 0.00 C ATOM 204 C LYS A 12 -1.612 -11.857 0.477 1.00 0.00 C ATOM 205 O LYS A 12 -1.604 -12.692 -0.431 1.00 0.00 O ATOM 206 CB LYS A 12 -3.537 -10.318 0.873 1.00 0.00 C ATOM 207 CG LYS A 12 -4.951 -10.205 1.482 1.00 0.00 C ATOM 208 CD LYS A 12 -5.511 -8.782 1.268 1.00 0.00 C ATOM 209 CE LYS A 12 -5.312 -8.340 -0.184 1.00 0.00 C ATOM 210 NZ LYS A 12 -6.014 -9.267 -1.090 1.00 0.00 N ATOM 0 H LYS A 12 -2.716 -10.634 3.149 1.00 0.00 H new ATOM 0 HA LYS A 12 -3.552 -12.457 1.170 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -2.932 -9.467 1.185 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -3.599 -10.284 -0.215 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -5.613 -10.938 1.021 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -4.916 -10.433 2.547 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -6.572 -8.761 1.519 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -5.011 -8.083 1.939 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -5.691 -7.327 -0.320 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -4.249 -8.318 -0.424 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -6.408 -8.736 -1.893 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -5.345 -9.982 -1.442 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -6.785 -9.738 -0.575 1.00 0.00 H new ATOM 224 N LYS A 13 -0.541 -11.157 0.819 1.00 0.00 N ATOM 225 CA LYS A 13 0.737 -11.317 0.129 1.00 0.00 C ATOM 226 C LYS A 13 1.483 -12.551 0.626 1.00 0.00 C ATOM 227 O LYS A 13 2.482 -12.956 0.038 1.00 0.00 O ATOM 228 CB LYS A 13 1.617 -10.078 0.312 1.00 0.00 C ATOM 229 CG LYS A 13 1.022 -8.881 -0.448 1.00 0.00 C ATOM 230 CD LYS A 13 1.262 -9.038 -1.962 1.00 0.00 C ATOM 231 CE LYS A 13 2.354 -8.061 -2.399 1.00 0.00 C ATOM 232 NZ LYS A 13 2.634 -8.239 -3.840 1.00 0.00 N ATOM 0 H LYS A 13 -0.528 -10.470 1.572 1.00 0.00 H new ATOM 0 HA LYS A 13 0.518 -11.444 -0.931 1.00 0.00 H new ATOM 0 HB2 LYS A 13 1.702 -9.838 1.372 1.00 0.00 H new ATOM 0 HB3 LYS A 13 2.624 -10.283 -0.051 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -0.047 -8.809 -0.248 1.00 0.00 H new ATOM 0 HG3 LYS A 13 1.476 -7.955 -0.095 1.00 0.00 H new ATOM 0 HD2 LYS A 13 1.559 -10.061 -2.192 1.00 0.00 H new ATOM 0 HD3 LYS A 13 0.341 -8.843 -2.511 1.00 0.00 H new ATOM 0 HE2 LYS A 13 2.038 -7.036 -2.204 1.00 0.00 H new ATOM 0 HE3 LYS A 13 3.261 -8.231 -1.819 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 3.539 -7.785 -4.076 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 2.688 -9.254 -4.060 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 1.872 -7.803 -4.398 1.00 0.00 H new ATOM 246 N LYS A 14 1.018 -13.117 1.726 1.00 0.00 N ATOM 247 CA LYS A 14 1.663 -14.280 2.325 1.00 0.00 C ATOM 248 C LYS A 14 3.156 -14.061 2.464 1.00 0.00 C ATOM 249 O LYS A 14 3.964 -14.866 1.984 1.00 0.00 O ATOM 250 CB LYS A 14 1.374 -15.552 1.517 1.00 0.00 C ATOM 251 CG LYS A 14 -0.035 -16.050 1.846 1.00 0.00 C ATOM 252 CD LYS A 14 -0.961 -15.817 0.648 1.00 0.00 C ATOM 253 CE LYS A 14 -2.368 -16.291 0.998 1.00 0.00 C ATOM 254 NZ LYS A 14 -2.764 -15.725 2.313 1.00 0.00 N ATOM 0 H LYS A 14 0.192 -12.790 2.227 1.00 0.00 H new ATOM 0 HA LYS A 14 1.245 -14.413 3.323 1.00 0.00 H new ATOM 0 HB2 LYS A 14 1.460 -15.346 0.450 1.00 0.00 H new ATOM 0 HB3 LYS A 14 2.109 -16.322 1.753 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -0.007 -17.111 2.094 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -0.420 -15.528 2.722 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -0.976 -14.759 0.386 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -0.590 -16.356 -0.224 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -3.072 -15.977 0.227 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -2.399 -17.380 1.034 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -3.797 -15.782 2.418 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -2.308 -16.266 3.075 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -2.465 -14.731 2.367 1.00 0.00 H new ATOM 268 N ILE A 15 3.519 -13.016 3.187 1.00 0.00 N ATOM 269 CA ILE A 15 4.912 -12.741 3.466 1.00 0.00 C ATOM 270 C ILE A 15 5.240 -13.320 4.822 1.00 0.00 C ATOM 271 O ILE A 15 4.742 -12.833 5.848 1.00 0.00 O ATOM 272 CB ILE A 15 5.128 -11.224 3.485 1.00 0.00 C ATOM 273 CG1 ILE A 15 4.710 -10.645 2.138 1.00 0.00 C ATOM 274 CG2 ILE A 15 6.604 -10.881 3.755 1.00 0.00 C ATOM 275 CD1 ILE A 15 4.765 -9.121 2.206 1.00 0.00 C ATOM 0 H ILE A 15 2.865 -12.345 3.591 1.00 0.00 H new ATOM 0 HA ILE A 15 5.554 -13.183 2.704 1.00 0.00 H new ATOM 0 HB ILE A 15 4.525 -10.794 4.285 1.00 0.00 H new ATOM 0 HG12 ILE A 15 5.371 -11.010 1.352 1.00 0.00 H new ATOM 0 HG13 ILE A 15 3.702 -10.973 1.885 1.00 0.00 H new ATOM 0 HG21 ILE A 15 6.730 -9.798 3.763 1.00 0.00 H new ATOM 0 HG22 ILE A 15 6.901 -11.288 4.721 1.00 0.00 H new ATOM 0 HG23 ILE A 15 7.227 -11.313 2.972 1.00 0.00 H new ATOM 0 HD11 ILE A 15 4.467 -8.703 1.245 1.00 0.00 H new ATOM 0 HD12 ILE A 15 4.086 -8.767 2.982 1.00 0.00 H new ATOM 0 HD13 ILE A 15 5.781 -8.804 2.440 1.00 0.00 H new ATOM 287 N SER A 16 6.038 -14.364 4.831 1.00 0.00 N ATOM 288 CA SER A 16 6.373 -15.053 6.059 1.00 0.00 C ATOM 289 C SER A 16 7.558 -14.390 6.751 1.00 0.00 C ATOM 290 O SER A 16 8.198 -13.492 6.187 1.00 0.00 O ATOM 291 CB SER A 16 6.653 -16.529 5.768 1.00 0.00 C ATOM 292 OG SER A 16 5.870 -16.935 4.633 1.00 0.00 O ATOM 0 H SER A 16 6.470 -14.758 3.995 1.00 0.00 H new ATOM 0 HA SER A 16 5.524 -14.991 6.740 1.00 0.00 H new ATOM 0 HB2 SER A 16 7.714 -16.679 5.568 1.00 0.00 H new ATOM 0 HB3 SER A 16 6.403 -17.139 6.636 1.00 0.00 H new ATOM 0 HG SER A 16 6.429 -16.922 3.828 1.00 0.00 H new ATOM 298 N GLN A 17 7.836 -14.802 7.978 1.00 0.00 N ATOM 299 CA GLN A 17 8.909 -14.194 8.754 1.00 0.00 C ATOM 300 C GLN A 17 10.190 -14.118 7.934 1.00 0.00 C ATOM 301 O GLN A 17 10.925 -13.142 8.021 1.00 0.00 O ATOM 302 CB GLN A 17 9.165 -14.988 10.046 1.00 0.00 C ATOM 303 CG GLN A 17 7.982 -14.842 11.017 1.00 0.00 C ATOM 304 CD GLN A 17 7.903 -13.408 11.517 1.00 0.00 C ATOM 305 OE1 GLN A 17 7.022 -12.663 11.114 1.00 0.00 O ATOM 306 NE2 GLN A 17 8.786 -12.976 12.357 1.00 0.00 N ATOM 0 H GLN A 17 7.337 -15.551 8.457 1.00 0.00 H new ATOM 0 HA GLN A 17 8.599 -13.183 9.018 1.00 0.00 H new ATOM 0 HB2 GLN A 17 9.318 -16.040 9.808 1.00 0.00 H new ATOM 0 HB3 GLN A 17 10.079 -14.633 10.522 1.00 0.00 H new ATOM 0 HG2 GLN A 17 7.053 -15.115 10.517 1.00 0.00 H new ATOM 0 HG3 GLN A 17 8.103 -15.524 11.858 1.00 0.00 H new ATOM 0 HE21 GLN A 17 9.520 -13.600 12.691 1.00 0.00 H new ATOM 0 HE22 GLN A 17 8.748 -12.011 12.685 1.00 0.00 H new ATOM 315 N SER A 18 10.440 -15.131 7.122 1.00 0.00 N ATOM 316 CA SER A 18 11.616 -15.122 6.262 1.00 0.00 C ATOM 317 C SER A 18 11.535 -13.971 5.250 1.00 0.00 C ATOM 318 O SER A 18 12.479 -13.187 5.103 1.00 0.00 O ATOM 319 CB SER A 18 11.731 -16.467 5.535 1.00 0.00 C ATOM 320 OG SER A 18 10.454 -17.125 5.558 1.00 0.00 O ATOM 0 H SER A 18 9.854 -15.962 7.038 1.00 0.00 H new ATOM 0 HA SER A 18 12.504 -14.971 6.876 1.00 0.00 H new ATOM 0 HB2 SER A 18 12.055 -16.312 4.506 1.00 0.00 H new ATOM 0 HB3 SER A 18 12.484 -17.091 6.016 1.00 0.00 H new ATOM 0 HG SER A 18 10.059 -17.104 4.661 1.00 0.00 H new ATOM 326 N GLU A 19 10.379 -13.831 4.617 1.00 0.00 N ATOM 327 CA GLU A 19 10.147 -12.750 3.677 1.00 0.00 C ATOM 328 C GLU A 19 10.104 -11.424 4.421 1.00 0.00 C ATOM 329 O GLU A 19 10.701 -10.434 3.999 1.00 0.00 O ATOM 330 CB GLU A 19 8.837 -12.980 2.913 1.00 0.00 C ATOM 331 CG GLU A 19 8.899 -14.315 2.156 1.00 0.00 C ATOM 332 CD GLU A 19 8.418 -15.451 3.039 1.00 0.00 C ATOM 333 OE1 GLU A 19 9.208 -15.958 3.803 1.00 0.00 O ATOM 334 OE2 GLU A 19 7.267 -15.804 2.939 1.00 0.00 O ATOM 0 H GLU A 19 9.584 -14.458 4.740 1.00 0.00 H new ATOM 0 HA GLU A 19 10.963 -12.724 2.955 1.00 0.00 H new ATOM 0 HB2 GLU A 19 7.997 -12.985 3.608 1.00 0.00 H new ATOM 0 HB3 GLU A 19 8.666 -12.163 2.212 1.00 0.00 H new ATOM 0 HG2 GLU A 19 8.284 -14.259 1.258 1.00 0.00 H new ATOM 0 HG3 GLU A 19 9.921 -14.508 1.830 1.00 0.00 H new ATOM 341 N LEU A 20 9.491 -11.450 5.593 1.00 0.00 N ATOM 342 CA LEU A 20 9.443 -10.285 6.451 1.00 0.00 C ATOM 343 C LEU A 20 10.862 -9.913 6.821 1.00 0.00 C ATOM 344 O LEU A 20 11.238 -8.752 6.797 1.00 0.00 O ATOM 345 CB LEU A 20 8.624 -10.579 7.724 1.00 0.00 C ATOM 346 CG LEU A 20 8.556 -9.321 8.616 1.00 0.00 C ATOM 347 CD1 LEU A 20 7.881 -8.172 7.858 1.00 0.00 C ATOM 348 CD2 LEU A 20 7.754 -9.628 9.883 1.00 0.00 C ATOM 0 H LEU A 20 9.018 -12.271 5.971 1.00 0.00 H new ATOM 0 HA LEU A 20 8.959 -9.461 5.926 1.00 0.00 H new ATOM 0 HB2 LEU A 20 7.617 -10.896 7.452 1.00 0.00 H new ATOM 0 HB3 LEU A 20 9.079 -11.401 8.276 1.00 0.00 H new ATOM 0 HG LEU A 20 9.571 -9.028 8.886 1.00 0.00 H new ATOM 0 HD11 LEU A 20 7.839 -7.290 8.497 1.00 0.00 H new ATOM 0 HD12 LEU A 20 8.454 -7.942 6.960 1.00 0.00 H new ATOM 0 HD13 LEU A 20 6.870 -8.466 7.577 1.00 0.00 H new ATOM 0 HD21 LEU A 20 7.709 -8.737 10.510 1.00 0.00 H new ATOM 0 HD22 LEU A 20 6.743 -9.931 9.609 1.00 0.00 H new ATOM 0 HD23 LEU A 20 8.238 -10.435 10.434 1.00 0.00 H new ATOM 360 N ALA A 21 11.660 -10.919 7.121 1.00 0.00 N ATOM 361 CA ALA A 21 13.049 -10.695 7.473 1.00 0.00 C ATOM 362 C ALA A 21 13.746 -9.863 6.405 1.00 0.00 C ATOM 363 O ALA A 21 14.562 -8.997 6.725 1.00 0.00 O ATOM 364 CB ALA A 21 13.781 -12.023 7.657 1.00 0.00 C ATOM 0 H ALA A 21 11.372 -11.897 7.128 1.00 0.00 H new ATOM 0 HA ALA A 21 13.073 -10.148 8.416 1.00 0.00 H new ATOM 0 HB1 ALA A 21 14.821 -11.832 7.921 1.00 0.00 H new ATOM 0 HB2 ALA A 21 13.304 -12.594 8.453 1.00 0.00 H new ATOM 0 HB3 ALA A 21 13.741 -12.592 6.728 1.00 0.00 H new ATOM 370 N ALA A 22 13.393 -10.094 5.144 1.00 0.00 N ATOM 371 CA ALA A 22 13.966 -9.308 4.056 1.00 0.00 C ATOM 372 C ALA A 22 13.562 -7.856 4.210 1.00 0.00 C ATOM 373 O ALA A 22 14.367 -6.947 4.020 1.00 0.00 O ATOM 374 CB ALA A 22 13.515 -9.832 2.689 1.00 0.00 C ATOM 0 H ALA A 22 12.724 -10.807 4.853 1.00 0.00 H new ATOM 0 HA ALA A 22 15.051 -9.396 4.107 1.00 0.00 H new ATOM 0 HB1 ALA A 22 13.960 -9.224 1.901 1.00 0.00 H new ATOM 0 HB2 ALA A 22 13.835 -10.867 2.573 1.00 0.00 H new ATOM 0 HB3 ALA A 22 12.429 -9.778 2.619 1.00 0.00 H new ATOM 380 N LEU A 23 12.325 -7.647 4.622 1.00 0.00 N ATOM 381 CA LEU A 23 11.830 -6.307 4.907 1.00 0.00 C ATOM 382 C LEU A 23 12.606 -5.727 6.089 1.00 0.00 C ATOM 383 O LEU A 23 12.888 -4.526 6.151 1.00 0.00 O ATOM 384 CB LEU A 23 10.332 -6.349 5.230 1.00 0.00 C ATOM 385 CG LEU A 23 9.548 -6.818 3.987 1.00 0.00 C ATOM 386 CD1 LEU A 23 8.068 -6.989 4.332 1.00 0.00 C ATOM 387 CD2 LEU A 23 9.677 -5.787 2.869 1.00 0.00 C ATOM 0 H LEU A 23 11.640 -8.389 4.768 1.00 0.00 H new ATOM 0 HA LEU A 23 11.974 -5.676 4.030 1.00 0.00 H new ATOM 0 HB2 LEU A 23 10.148 -7.025 6.065 1.00 0.00 H new ATOM 0 HB3 LEU A 23 9.988 -5.362 5.538 1.00 0.00 H new ATOM 0 HG LEU A 23 9.960 -7.772 3.658 1.00 0.00 H new ATOM 0 HD11 LEU A 23 7.524 -7.320 3.447 1.00 0.00 H new ATOM 0 HD12 LEU A 23 7.962 -7.732 5.122 1.00 0.00 H new ATOM 0 HD13 LEU A 23 7.661 -6.037 4.672 1.00 0.00 H new ATOM 0 HD21 LEU A 23 9.120 -6.126 1.995 1.00 0.00 H new ATOM 0 HD22 LEU A 23 9.275 -4.832 3.207 1.00 0.00 H new ATOM 0 HD23 LEU A 23 10.728 -5.666 2.605 1.00 0.00 H new ATOM 399 N LEU A 24 12.905 -6.595 7.044 1.00 0.00 N ATOM 400 CA LEU A 24 13.601 -6.216 8.274 1.00 0.00 C ATOM 401 C LEU A 24 15.082 -5.941 8.009 1.00 0.00 C ATOM 402 O LEU A 24 15.832 -5.632 8.939 1.00 0.00 O ATOM 403 CB LEU A 24 13.463 -7.326 9.336 1.00 0.00 C ATOM 404 CG LEU A 24 12.117 -7.223 10.101 1.00 0.00 C ATOM 405 CD1 LEU A 24 11.030 -6.613 9.220 1.00 0.00 C ATOM 406 CD2 LEU A 24 11.673 -8.620 10.545 1.00 0.00 C ATOM 0 H LEU A 24 12.673 -7.587 6.992 1.00 0.00 H new ATOM 0 HA LEU A 24 13.139 -5.301 8.646 1.00 0.00 H new ATOM 0 HB2 LEU A 24 13.534 -8.301 8.855 1.00 0.00 H new ATOM 0 HB3 LEU A 24 14.290 -7.258 10.043 1.00 0.00 H new ATOM 0 HG LEU A 24 12.267 -6.580 10.968 1.00 0.00 H new ATOM 0 HD11 LEU A 24 10.098 -6.553 9.782 1.00 0.00 H new ATOM 0 HD12 LEU A 24 11.332 -5.613 8.910 1.00 0.00 H new ATOM 0 HD13 LEU A 24 10.883 -7.237 8.339 1.00 0.00 H new ATOM 0 HD21 LEU A 24 10.727 -8.548 11.082 1.00 0.00 H new ATOM 0 HD22 LEU A 24 11.545 -9.256 9.669 1.00 0.00 H new ATOM 0 HD23 LEU A 24 12.430 -9.052 11.200 1.00 0.00 H new ATOM 418 N GLU A 25 15.496 -6.026 6.745 1.00 0.00 N ATOM 419 CA GLU A 25 16.881 -5.718 6.386 1.00 0.00 C ATOM 420 C GLU A 25 17.246 -4.294 6.792 1.00 0.00 C ATOM 421 O GLU A 25 18.425 -3.974 6.990 1.00 0.00 O ATOM 422 CB GLU A 25 17.136 -5.948 4.897 1.00 0.00 C ATOM 423 CG GLU A 25 17.173 -7.454 4.605 1.00 0.00 C ATOM 424 CD GLU A 25 18.390 -8.078 5.249 1.00 0.00 C ATOM 425 OE1 GLU A 25 19.472 -7.601 4.988 1.00 0.00 O ATOM 426 OE2 GLU A 25 18.235 -9.017 5.999 1.00 0.00 O ATOM 0 H GLU A 25 14.903 -6.301 5.962 1.00 0.00 H new ATOM 0 HA GLU A 25 17.526 -6.402 6.938 1.00 0.00 H new ATOM 0 HB2 GLU A 25 16.353 -5.472 4.306 1.00 0.00 H new ATOM 0 HB3 GLU A 25 18.080 -5.488 4.605 1.00 0.00 H new ATOM 0 HG2 GLU A 25 16.268 -7.928 4.984 1.00 0.00 H new ATOM 0 HG3 GLU A 25 17.194 -7.623 3.528 1.00 0.00 H new ATOM 433 N VAL A 26 16.230 -3.484 7.036 1.00 0.00 N ATOM 434 CA VAL A 26 16.421 -2.135 7.538 1.00 0.00 C ATOM 435 C VAL A 26 16.114 -2.123 9.022 1.00 0.00 C ATOM 436 O VAL A 26 15.462 -3.046 9.531 1.00 0.00 O ATOM 437 CB VAL A 26 15.505 -1.141 6.801 1.00 0.00 C ATOM 438 CG1 VAL A 26 16.019 -0.931 5.374 1.00 0.00 C ATOM 439 CG2 VAL A 26 14.072 -1.698 6.743 1.00 0.00 C ATOM 0 H VAL A 26 15.254 -3.742 6.892 1.00 0.00 H new ATOM 0 HA VAL A 26 17.453 -1.829 7.366 1.00 0.00 H new ATOM 0 HB VAL A 26 15.506 -0.192 7.336 1.00 0.00 H new ATOM 0 HG11 VAL A 26 15.370 -0.227 4.853 1.00 0.00 H new ATOM 0 HG12 VAL A 26 17.033 -0.533 5.407 1.00 0.00 H new ATOM 0 HG13 VAL A 26 16.021 -1.883 4.844 1.00 0.00 H new ATOM 0 HG21 VAL A 26 13.428 -0.991 6.221 1.00 0.00 H new ATOM 0 HG22 VAL A 26 14.073 -2.650 6.211 1.00 0.00 H new ATOM 0 HG23 VAL A 26 13.699 -1.849 7.756 1.00 0.00 H new ATOM 449 N SER A 27 16.685 -1.171 9.737 1.00 0.00 N ATOM 450 CA SER A 27 16.578 -1.166 11.182 1.00 0.00 C ATOM 451 C SER A 27 15.162 -1.510 11.638 1.00 0.00 C ATOM 452 O SER A 27 14.203 -0.771 11.361 1.00 0.00 O ATOM 453 CB SER A 27 17.022 0.188 11.740 1.00 0.00 C ATOM 454 OG SER A 27 18.280 0.541 11.149 1.00 0.00 O ATOM 0 H SER A 27 17.223 -0.398 9.344 1.00 0.00 H new ATOM 0 HA SER A 27 17.240 -1.937 11.575 1.00 0.00 H new ATOM 0 HB2 SER A 27 16.275 0.950 11.520 1.00 0.00 H new ATOM 0 HB3 SER A 27 17.116 0.137 12.825 1.00 0.00 H new ATOM 0 HG SER A 27 18.574 1.408 11.498 1.00 0.00 H new ATOM 460 N ARG A 28 15.049 -2.599 12.392 1.00 0.00 N ATOM 461 CA ARG A 28 13.775 -3.054 12.918 1.00 0.00 C ATOM 462 C ARG A 28 13.160 -2.004 13.810 1.00 0.00 C ATOM 463 O ARG A 28 11.944 -1.865 13.868 1.00 0.00 O ATOM 464 CB ARG A 28 13.915 -4.377 13.669 1.00 0.00 C ATOM 465 CG ARG A 28 14.266 -5.496 12.680 1.00 0.00 C ATOM 466 CD ARG A 28 14.236 -6.848 13.405 1.00 0.00 C ATOM 467 NE ARG A 28 15.196 -6.887 14.513 1.00 0.00 N ATOM 468 CZ ARG A 28 16.474 -7.243 14.345 1.00 0.00 C ATOM 469 NH1 ARG A 28 16.931 -7.502 13.150 1.00 0.00 N ATOM 470 NH2 ARG A 28 17.264 -7.326 15.374 1.00 0.00 N ATOM 0 H ARG A 28 15.840 -3.188 12.653 1.00 0.00 H new ATOM 0 HA ARG A 28 13.113 -3.223 12.069 1.00 0.00 H new ATOM 0 HB2 ARG A 28 14.691 -4.294 14.430 1.00 0.00 H new ATOM 0 HB3 ARG A 28 12.985 -4.613 14.186 1.00 0.00 H new ATOM 0 HG2 ARG A 28 13.557 -5.500 11.852 1.00 0.00 H new ATOM 0 HG3 ARG A 28 15.254 -5.322 12.253 1.00 0.00 H new ATOM 0 HD2 ARG A 28 13.232 -7.035 13.786 1.00 0.00 H new ATOM 0 HD3 ARG A 28 14.463 -7.646 12.698 1.00 0.00 H new ATOM 0 HE ARG A 28 14.877 -6.633 15.448 1.00 0.00 H new ATOM 0 HH11 ARG A 28 16.313 -7.433 12.342 1.00 0.00 H new ATOM 0 HH12 ARG A 28 17.906 -7.773 13.025 1.00 0.00 H new ATOM 0 HH21 ARG A 28 16.909 -7.120 16.308 1.00 0.00 H new ATOM 0 HH22 ARG A 28 18.239 -7.597 15.248 1.00 0.00 H new ATOM 484 N GLN A 29 14.011 -1.235 14.479 1.00 0.00 N ATOM 485 CA GLN A 29 13.533 -0.155 15.328 1.00 0.00 C ATOM 486 C GLN A 29 12.470 0.633 14.591 1.00 0.00 C ATOM 487 O GLN A 29 11.553 1.180 15.203 1.00 0.00 O ATOM 488 CB GLN A 29 14.688 0.779 15.718 1.00 0.00 C ATOM 489 CG GLN A 29 15.705 0.024 16.582 1.00 0.00 C ATOM 490 CD GLN A 29 15.089 -0.361 17.916 1.00 0.00 C ATOM 491 OE1 GLN A 29 14.668 0.514 18.685 1.00 0.00 O ATOM 492 NE2 GLN A 29 14.998 -1.617 18.243 1.00 0.00 N ATOM 0 H GLN A 29 15.025 -1.339 14.450 1.00 0.00 H new ATOM 0 HA GLN A 29 13.111 -0.585 16.237 1.00 0.00 H new ATOM 0 HB2 GLN A 29 15.174 1.163 14.821 1.00 0.00 H new ATOM 0 HB3 GLN A 29 14.302 1.639 16.265 1.00 0.00 H new ATOM 0 HG2 GLN A 29 16.042 -0.871 16.059 1.00 0.00 H new ATOM 0 HG3 GLN A 29 16.584 0.647 16.747 1.00 0.00 H new ATOM 0 HE21 GLN A 29 15.345 -2.336 17.608 1.00 0.00 H new ATOM 0 HE22 GLN A 29 14.579 -1.883 19.134 1.00 0.00 H new ATOM 501 N THR A 30 12.585 0.667 13.271 1.00 0.00 N ATOM 502 CA THR A 30 11.612 1.351 12.448 1.00 0.00 C ATOM 503 C THR A 30 10.241 0.668 12.603 1.00 0.00 C ATOM 504 O THR A 30 9.242 1.312 12.950 1.00 0.00 O ATOM 505 CB THR A 30 12.060 1.257 10.982 1.00 0.00 C ATOM 506 OG1 THR A 30 13.465 1.475 10.911 1.00 0.00 O ATOM 507 CG2 THR A 30 11.347 2.329 10.157 1.00 0.00 C ATOM 0 H THR A 30 13.345 0.227 12.752 1.00 0.00 H new ATOM 0 HA THR A 30 11.533 2.395 12.752 1.00 0.00 H new ATOM 0 HB THR A 30 11.813 0.271 10.589 1.00 0.00 H new ATOM 0 HG1 THR A 30 13.920 0.624 10.742 1.00 0.00 H new ATOM 0 HG21 THR A 30 11.667 2.260 9.117 1.00 0.00 H new ATOM 0 HG22 THR A 30 10.269 2.177 10.216 1.00 0.00 H new ATOM 0 HG23 THR A 30 11.596 3.315 10.549 1.00 0.00 H new ATOM 515 N ILE A 31 10.229 -0.656 12.424 1.00 0.00 N ATOM 516 CA ILE A 31 9.030 -1.457 12.605 1.00 0.00 C ATOM 517 C ILE A 31 8.674 -1.587 14.075 1.00 0.00 C ATOM 518 O ILE A 31 7.510 -1.558 14.446 1.00 0.00 O ATOM 519 CB ILE A 31 9.157 -2.835 11.902 1.00 0.00 C ATOM 520 CG1 ILE A 31 7.759 -3.350 11.485 1.00 0.00 C ATOM 521 CG2 ILE A 31 9.867 -3.870 12.801 1.00 0.00 C ATOM 522 CD1 ILE A 31 7.175 -4.279 12.561 1.00 0.00 C ATOM 0 H ILE A 31 11.051 -1.195 12.150 1.00 0.00 H new ATOM 0 HA ILE A 31 8.202 -0.937 12.124 1.00 0.00 H new ATOM 0 HB ILE A 31 9.769 -2.700 11.010 1.00 0.00 H new ATOM 0 HG12 ILE A 31 7.089 -2.506 11.325 1.00 0.00 H new ATOM 0 HG13 ILE A 31 7.831 -3.884 10.538 1.00 0.00 H new ATOM 0 HG21 ILE A 31 9.937 -4.822 12.275 1.00 0.00 H new ATOM 0 HG22 ILE A 31 10.869 -3.515 13.044 1.00 0.00 H new ATOM 0 HG23 ILE A 31 9.297 -4.005 13.720 1.00 0.00 H new ATOM 0 HD11 ILE A 31 6.192 -4.628 12.245 1.00 0.00 H new ATOM 0 HD12 ILE A 31 7.836 -5.134 12.701 1.00 0.00 H new ATOM 0 HD13 ILE A 31 7.082 -3.734 13.501 1.00 0.00 H new ATOM 534 N ASN A 32 9.699 -1.747 14.904 1.00 0.00 N ATOM 535 CA ASN A 32 9.517 -1.939 16.346 1.00 0.00 C ATOM 536 C ASN A 32 8.512 -0.940 16.896 1.00 0.00 C ATOM 537 O ASN A 32 7.789 -1.225 17.849 1.00 0.00 O ATOM 538 CB ASN A 32 10.860 -1.791 17.069 1.00 0.00 C ATOM 539 CG ASN A 32 10.708 -2.023 18.575 1.00 0.00 C ATOM 540 OD1 ASN A 32 11.517 -1.520 19.358 1.00 0.00 O ATOM 541 ND2 ASN A 32 9.741 -2.744 19.026 1.00 0.00 N ATOM 0 H ASN A 32 10.674 -1.748 14.603 1.00 0.00 H new ATOM 0 HA ASN A 32 9.131 -2.944 16.516 1.00 0.00 H new ATOM 0 HB2 ASN A 32 11.577 -2.503 16.659 1.00 0.00 H new ATOM 0 HB3 ASN A 32 11.264 -0.794 16.891 1.00 0.00 H new ATOM 0 HD21 ASN A 32 9.645 -2.898 20.030 1.00 0.00 H new ATOM 0 HD22 ASN A 32 9.071 -3.161 18.380 1.00 0.00 H new ATOM 548 N GLY A 33 8.433 0.210 16.249 1.00 0.00 N ATOM 549 CA GLY A 33 7.495 1.246 16.636 1.00 0.00 C ATOM 550 C GLY A 33 6.080 0.701 16.776 1.00 0.00 C ATOM 551 O GLY A 33 5.257 1.289 17.478 1.00 0.00 O ATOM 0 H GLY A 33 9.014 0.450 15.446 1.00 0.00 H new ATOM 0 HA2 GLY A 33 7.810 1.687 17.581 1.00 0.00 H new ATOM 0 HA3 GLY A 33 7.506 2.043 15.893 1.00 0.00 H new ATOM 555 N ILE A 34 5.804 -0.449 16.144 1.00 0.00 N ATOM 556 CA ILE A 34 4.468 -1.050 16.224 1.00 0.00 C ATOM 557 C ILE A 34 4.025 -1.218 17.660 1.00 0.00 C ATOM 558 O ILE A 34 2.836 -1.289 17.936 1.00 0.00 O ATOM 559 CB ILE A 34 4.375 -2.390 15.475 1.00 0.00 C ATOM 560 CG1 ILE A 34 5.367 -3.406 16.053 1.00 0.00 C ATOM 561 CG2 ILE A 34 4.637 -2.182 13.980 1.00 0.00 C ATOM 562 CD1 ILE A 34 5.123 -4.775 15.408 1.00 0.00 C ATOM 0 H ILE A 34 6.475 -0.972 15.582 1.00 0.00 H new ATOM 0 HA ILE A 34 3.791 -0.354 15.728 1.00 0.00 H new ATOM 0 HB ILE A 34 3.367 -2.785 15.603 1.00 0.00 H new ATOM 0 HG12 ILE A 34 6.390 -3.080 15.865 1.00 0.00 H new ATOM 0 HG13 ILE A 34 5.247 -3.474 17.134 1.00 0.00 H new ATOM 0 HG21 ILE A 34 4.568 -3.139 13.462 1.00 0.00 H new ATOM 0 HG22 ILE A 34 3.896 -1.495 13.573 1.00 0.00 H new ATOM 0 HG23 ILE A 34 5.634 -1.765 13.840 1.00 0.00 H new ATOM 0 HD11 ILE A 34 5.827 -5.500 15.817 1.00 0.00 H new ATOM 0 HD12 ILE A 34 4.104 -5.100 15.618 1.00 0.00 H new ATOM 0 HD13 ILE A 34 5.265 -4.700 14.330 1.00 0.00 H new ATOM 574 N GLU A 35 4.963 -1.213 18.586 1.00 0.00 N ATOM 575 CA GLU A 35 4.592 -1.303 19.976 1.00 0.00 C ATOM 576 C GLU A 35 3.678 -0.123 20.319 1.00 0.00 C ATOM 577 O GLU A 35 2.597 -0.315 20.882 1.00 0.00 O ATOM 578 CB GLU A 35 5.834 -1.268 20.864 1.00 0.00 C ATOM 579 CG GLU A 35 6.670 -2.544 20.650 1.00 0.00 C ATOM 580 CD GLU A 35 7.970 -2.482 21.442 1.00 0.00 C ATOM 581 OE1 GLU A 35 8.208 -1.479 22.084 1.00 0.00 O ATOM 582 OE2 GLU A 35 8.713 -3.441 21.394 1.00 0.00 O ATOM 0 H GLU A 35 5.965 -1.149 18.404 1.00 0.00 H new ATOM 0 HA GLU A 35 4.071 -2.244 20.151 1.00 0.00 H new ATOM 0 HB2 GLU A 35 6.433 -0.388 20.631 1.00 0.00 H new ATOM 0 HB3 GLU A 35 5.541 -1.187 21.911 1.00 0.00 H new ATOM 0 HG2 GLU A 35 6.094 -3.417 20.957 1.00 0.00 H new ATOM 0 HG3 GLU A 35 6.891 -2.665 19.590 1.00 0.00 H new ATOM 589 N LYS A 36 4.054 1.076 19.860 1.00 0.00 N ATOM 590 CA LYS A 36 3.179 2.245 20.013 1.00 0.00 C ATOM 591 C LYS A 36 2.420 2.506 18.719 1.00 0.00 C ATOM 592 O LYS A 36 1.376 3.164 18.710 1.00 0.00 O ATOM 593 CB LYS A 36 4.009 3.490 20.408 1.00 0.00 C ATOM 594 CG LYS A 36 4.454 4.280 19.157 1.00 0.00 C ATOM 595 CD LYS A 36 5.336 5.459 19.591 1.00 0.00 C ATOM 596 CE LYS A 36 5.606 6.382 18.393 1.00 0.00 C ATOM 597 NZ LYS A 36 6.229 5.617 17.284 1.00 0.00 N ATOM 0 H LYS A 36 4.939 1.262 19.389 1.00 0.00 H new ATOM 0 HA LYS A 36 2.460 2.041 20.806 1.00 0.00 H new ATOM 0 HB2 LYS A 36 3.417 4.135 21.058 1.00 0.00 H new ATOM 0 HB3 LYS A 36 4.885 3.181 20.978 1.00 0.00 H new ATOM 0 HG2 LYS A 36 5.005 3.629 18.478 1.00 0.00 H new ATOM 0 HG3 LYS A 36 3.582 4.644 18.613 1.00 0.00 H new ATOM 0 HD2 LYS A 36 4.844 6.018 20.387 1.00 0.00 H new ATOM 0 HD3 LYS A 36 6.278 5.089 19.995 1.00 0.00 H new ATOM 0 HE2 LYS A 36 4.673 6.832 18.054 1.00 0.00 H new ATOM 0 HE3 LYS A 36 6.262 7.198 18.695 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 6.591 6.278 16.567 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 7.014 5.045 17.655 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 5.519 4.992 16.852 1.00 0.00 H new ATOM 611 N ASN A 37 2.951 1.967 17.638 1.00 0.00 N ATOM 612 CA ASN A 37 2.388 2.118 16.304 1.00 0.00 C ATOM 613 C ASN A 37 1.463 0.975 15.963 1.00 0.00 C ATOM 614 O ASN A 37 1.295 0.640 14.793 1.00 0.00 O ATOM 615 CB ASN A 37 3.498 2.239 15.256 1.00 0.00 C ATOM 616 CG ASN A 37 3.003 3.062 14.081 1.00 0.00 C ATOM 617 OD1 ASN A 37 3.619 4.071 13.720 1.00 0.00 O ATOM 618 ND2 ASN A 37 1.923 2.700 13.461 1.00 0.00 N ATOM 0 H ASN A 37 3.800 1.402 17.659 1.00 0.00 H new ATOM 0 HA ASN A 37 1.802 3.037 16.297 1.00 0.00 H new ATOM 0 HB2 ASN A 37 4.378 2.708 15.696 1.00 0.00 H new ATOM 0 HB3 ASN A 37 3.801 1.248 14.917 1.00 0.00 H new ATOM 0 HD21 ASN A 37 1.579 3.248 12.673 1.00 0.00 H new ATOM 0 HD22 ASN A 37 1.417 1.867 13.762 1.00 0.00 H new ATOM 625 N LYS A 38 1.030 0.264 16.983 1.00 0.00 N ATOM 626 CA LYS A 38 0.294 -0.981 16.807 1.00 0.00 C ATOM 627 C LYS A 38 -0.916 -0.750 15.911 1.00 0.00 C ATOM 628 O LYS A 38 -1.342 -1.652 15.174 1.00 0.00 O ATOM 629 CB LYS A 38 -0.146 -1.521 18.170 1.00 0.00 C ATOM 630 CG LYS A 38 -0.375 -3.032 18.100 1.00 0.00 C ATOM 631 CD LYS A 38 0.982 -3.752 18.058 1.00 0.00 C ATOM 632 CE LYS A 38 0.841 -5.144 18.672 1.00 0.00 C ATOM 633 NZ LYS A 38 0.616 -5.008 20.133 1.00 0.00 N ATOM 0 H LYS A 38 1.175 0.528 17.958 1.00 0.00 H new ATOM 0 HA LYS A 38 0.943 -1.716 16.331 1.00 0.00 H new ATOM 0 HB2 LYS A 38 0.614 -1.297 18.919 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -1.062 -1.023 18.486 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -0.949 -3.364 18.965 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -0.959 -3.282 17.214 1.00 0.00 H new ATOM 0 HD2 LYS A 38 1.332 -3.831 17.029 1.00 0.00 H new ATOM 0 HD3 LYS A 38 1.728 -3.176 18.605 1.00 0.00 H new ATOM 0 HE2 LYS A 38 0.009 -5.676 18.211 1.00 0.00 H new ATOM 0 HE3 LYS A 38 1.739 -5.732 18.483 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 0.979 -5.852 20.620 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 1.114 -4.165 20.484 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -0.402 -4.911 20.320 1.00 0.00 H new ATOM 647 N TYR A 39 -1.474 0.456 15.996 1.00 0.00 N ATOM 648 CA TYR A 39 -2.607 0.860 15.157 1.00 0.00 C ATOM 649 C TYR A 39 -2.309 0.514 13.700 1.00 0.00 C ATOM 650 O TYR A 39 -1.171 0.185 13.356 1.00 0.00 O ATOM 651 CB TYR A 39 -2.811 2.379 15.237 1.00 0.00 C ATOM 652 CG TYR A 39 -2.803 2.860 16.668 1.00 0.00 C ATOM 653 CD1 TYR A 39 -3.969 2.822 17.434 1.00 0.00 C ATOM 654 CD2 TYR A 39 -1.629 3.355 17.217 1.00 0.00 C ATOM 655 CE1 TYR A 39 -3.954 3.284 18.753 1.00 0.00 C ATOM 656 CE2 TYR A 39 -1.612 3.820 18.524 1.00 0.00 C ATOM 657 CZ TYR A 39 -2.769 3.783 19.295 1.00 0.00 C ATOM 658 OH TYR A 39 -2.740 4.256 20.583 1.00 0.00 O ATOM 0 H TYR A 39 -1.158 1.178 16.643 1.00 0.00 H new ATOM 0 HA TYR A 39 -3.498 0.340 15.509 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -2.023 2.884 14.677 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -3.757 2.646 14.767 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -4.883 2.436 17.008 1.00 0.00 H new ATOM 0 HD2 TYR A 39 -0.726 3.378 16.625 1.00 0.00 H new ATOM 0 HE1 TYR A 39 -4.854 3.255 19.349 1.00 0.00 H new ATOM 0 HE2 TYR A 39 -0.697 4.212 18.944 1.00 0.00 H new ATOM 0 HH TYR A 39 -1.835 4.564 20.798 1.00 0.00 H new ATOM 668 N ASN A 40 -3.262 0.788 12.812 1.00 0.00 N ATOM 669 CA ASN A 40 -2.991 0.669 11.389 1.00 0.00 C ATOM 670 C ASN A 40 -1.884 1.660 11.011 1.00 0.00 C ATOM 671 O ASN A 40 -2.004 2.865 11.274 1.00 0.00 O ATOM 672 CB ASN A 40 -4.268 0.908 10.555 1.00 0.00 C ATOM 673 CG ASN A 40 -4.460 2.391 10.249 1.00 0.00 C ATOM 674 OD1 ASN A 40 -5.011 3.123 11.068 1.00 0.00 O ATOM 675 ND2 ASN A 40 -4.051 2.879 9.119 1.00 0.00 N ATOM 0 H ASN A 40 -4.208 1.087 13.049 1.00 0.00 H new ATOM 0 HA ASN A 40 -2.656 -0.345 11.168 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -4.206 0.347 9.623 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -5.135 0.531 11.097 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -4.187 3.868 8.912 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -3.593 2.273 8.438 1.00 0.00 H new ATOM 682 N PRO A 41 -0.745 1.165 10.579 1.00 0.00 N ATOM 683 CA PRO A 41 0.450 2.038 10.363 1.00 0.00 C ATOM 684 C PRO A 41 0.202 3.158 9.358 1.00 0.00 C ATOM 685 O PRO A 41 -0.432 2.949 8.319 1.00 0.00 O ATOM 686 CB PRO A 41 1.525 1.071 9.845 1.00 0.00 C ATOM 687 CG PRO A 41 1.130 -0.259 10.389 1.00 0.00 C ATOM 688 CD PRO A 41 -0.396 -0.268 10.403 1.00 0.00 C ATOM 0 HA PRO A 41 0.732 2.554 11.281 1.00 0.00 H new ATOM 0 HB2 PRO A 41 1.556 1.060 8.755 1.00 0.00 H new ATOM 0 HB3 PRO A 41 2.518 1.361 10.189 1.00 0.00 H new ATOM 0 HG2 PRO A 41 1.520 -1.066 9.769 1.00 0.00 H new ATOM 0 HG3 PRO A 41 1.531 -0.406 11.392 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -0.804 -0.670 9.476 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -0.787 -0.880 11.216 1.00 0.00 H new ATOM 696 N SER A 42 0.797 4.316 9.625 1.00 0.00 N ATOM 697 CA SER A 42 0.761 5.418 8.680 1.00 0.00 C ATOM 698 C SER A 42 1.715 5.101 7.536 1.00 0.00 C ATOM 699 O SER A 42 2.443 4.107 7.592 1.00 0.00 O ATOM 700 CB SER A 42 1.132 6.745 9.358 1.00 0.00 C ATOM 701 OG SER A 42 0.425 6.861 10.607 1.00 0.00 O ATOM 0 H SER A 42 1.307 4.512 10.486 1.00 0.00 H new ATOM 0 HA SER A 42 -0.251 5.535 8.293 1.00 0.00 H new ATOM 0 HB2 SER A 42 2.207 6.789 9.531 1.00 0.00 H new ATOM 0 HB3 SER A 42 0.880 7.581 8.706 1.00 0.00 H new ATOM 0 HG SER A 42 0.663 7.707 11.040 1.00 0.00 H new ATOM 707 N LEU A 43 1.677 5.893 6.492 1.00 0.00 N ATOM 708 CA LEU A 43 2.458 5.589 5.305 1.00 0.00 C ATOM 709 C LEU A 43 3.952 5.543 5.586 1.00 0.00 C ATOM 710 O LEU A 43 4.637 4.676 5.064 1.00 0.00 O ATOM 711 CB LEU A 43 2.162 6.581 4.174 1.00 0.00 C ATOM 712 CG LEU A 43 0.912 6.141 3.394 1.00 0.00 C ATOM 713 CD1 LEU A 43 -0.320 6.135 4.305 1.00 0.00 C ATOM 714 CD2 LEU A 43 0.682 7.108 2.232 1.00 0.00 C ATOM 0 H LEU A 43 1.121 6.746 6.434 1.00 0.00 H new ATOM 0 HA LEU A 43 2.154 4.592 4.986 1.00 0.00 H new ATOM 0 HB2 LEU A 43 2.010 7.579 4.586 1.00 0.00 H new ATOM 0 HB3 LEU A 43 3.017 6.641 3.501 1.00 0.00 H new ATOM 0 HG LEU A 43 1.068 5.131 3.016 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -1.193 5.821 3.734 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -0.158 5.442 5.131 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -0.486 7.138 4.699 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -0.203 6.802 1.674 1.00 0.00 H new ATOM 0 HD22 LEU A 43 0.536 8.116 2.621 1.00 0.00 H new ATOM 0 HD23 LEU A 43 1.549 7.096 1.572 1.00 0.00 H new ATOM 726 N GLN A 44 4.472 6.468 6.381 1.00 0.00 N ATOM 727 CA GLN A 44 5.918 6.479 6.599 1.00 0.00 C ATOM 728 C GLN A 44 6.381 5.141 7.165 1.00 0.00 C ATOM 729 O GLN A 44 7.286 4.501 6.611 1.00 0.00 O ATOM 730 CB GLN A 44 6.328 7.619 7.547 1.00 0.00 C ATOM 731 CG GLN A 44 6.117 8.979 6.863 1.00 0.00 C ATOM 732 CD GLN A 44 6.519 10.100 7.815 1.00 0.00 C ATOM 733 OE1 GLN A 44 7.635 10.088 8.350 1.00 0.00 O ATOM 734 NE2 GLN A 44 5.688 11.057 8.077 1.00 0.00 N ATOM 0 H GLN A 44 3.945 7.193 6.868 1.00 0.00 H new ATOM 0 HA GLN A 44 6.399 6.644 5.635 1.00 0.00 H new ATOM 0 HB2 GLN A 44 5.740 7.569 8.463 1.00 0.00 H new ATOM 0 HB3 GLN A 44 7.374 7.506 7.833 1.00 0.00 H new ATOM 0 HG2 GLN A 44 6.710 9.034 5.950 1.00 0.00 H new ATOM 0 HG3 GLN A 44 5.073 9.093 6.572 1.00 0.00 H new ATOM 0 HE21 GLN A 44 4.768 11.068 7.637 1.00 0.00 H new ATOM 0 HE22 GLN A 44 5.953 11.800 8.724 1.00 0.00 H new ATOM 743 N LEU A 45 5.710 4.671 8.206 1.00 0.00 N ATOM 744 CA LEU A 45 5.996 3.349 8.754 1.00 0.00 C ATOM 745 C LEU A 45 5.614 2.266 7.761 1.00 0.00 C ATOM 746 O LEU A 45 6.347 1.297 7.568 1.00 0.00 O ATOM 747 CB LEU A 45 5.245 3.129 10.078 1.00 0.00 C ATOM 748 CG LEU A 45 5.567 1.730 10.647 1.00 0.00 C ATOM 749 CD1 LEU A 45 7.075 1.591 10.863 1.00 0.00 C ATOM 750 CD2 LEU A 45 4.853 1.544 11.988 1.00 0.00 C ATOM 0 H LEU A 45 4.968 5.180 8.687 1.00 0.00 H new ATOM 0 HA LEU A 45 7.067 3.292 8.947 1.00 0.00 H new ATOM 0 HB2 LEU A 45 5.529 3.897 10.798 1.00 0.00 H new ATOM 0 HB3 LEU A 45 4.171 3.226 9.916 1.00 0.00 H new ATOM 0 HG LEU A 45 5.228 0.974 9.939 1.00 0.00 H new ATOM 0 HD11 LEU A 45 7.295 0.602 11.265 1.00 0.00 H new ATOM 0 HD12 LEU A 45 7.592 1.720 9.912 1.00 0.00 H new ATOM 0 HD13 LEU A 45 7.413 2.352 11.566 1.00 0.00 H new ATOM 0 HD21 LEU A 45 5.081 0.556 12.388 1.00 0.00 H new ATOM 0 HD22 LEU A 45 5.192 2.307 12.689 1.00 0.00 H new ATOM 0 HD23 LEU A 45 3.777 1.637 11.843 1.00 0.00 H new ATOM 762 N ALA A 46 4.415 2.409 7.194 1.00 0.00 N ATOM 763 CA ALA A 46 3.850 1.406 6.300 1.00 0.00 C ATOM 764 C ALA A 46 4.629 1.277 5.012 1.00 0.00 C ATOM 765 O ALA A 46 4.733 0.194 4.468 1.00 0.00 O ATOM 766 CB ALA A 46 2.386 1.713 5.990 1.00 0.00 C ATOM 0 H ALA A 46 3.814 3.220 7.342 1.00 0.00 H new ATOM 0 HA ALA A 46 3.915 0.453 6.824 1.00 0.00 H new ATOM 0 HB1 ALA A 46 1.988 0.950 5.321 1.00 0.00 H new ATOM 0 HB2 ALA A 46 1.811 1.719 6.916 1.00 0.00 H new ATOM 0 HB3 ALA A 46 2.313 2.689 5.511 1.00 0.00 H new ATOM 772 N LEU A 47 5.125 2.388 4.488 1.00 0.00 N ATOM 773 CA LEU A 47 5.770 2.382 3.171 1.00 0.00 C ATOM 774 C LEU A 47 6.880 1.345 3.144 1.00 0.00 C ATOM 775 O LEU A 47 7.017 0.597 2.175 1.00 0.00 O ATOM 776 CB LEU A 47 6.362 3.782 2.866 1.00 0.00 C ATOM 777 CG LEU A 47 6.542 4.018 1.350 1.00 0.00 C ATOM 778 CD1 LEU A 47 7.503 2.995 0.746 1.00 0.00 C ATOM 779 CD2 LEU A 47 5.188 3.950 0.638 1.00 0.00 C ATOM 0 H LEU A 47 5.097 3.300 4.944 1.00 0.00 H new ATOM 0 HA LEU A 47 5.026 2.133 2.415 1.00 0.00 H new ATOM 0 HB2 LEU A 47 5.706 4.550 3.277 1.00 0.00 H new ATOM 0 HB3 LEU A 47 7.325 3.885 3.366 1.00 0.00 H new ATOM 0 HG LEU A 47 6.968 5.012 1.211 1.00 0.00 H new ATOM 0 HD11 LEU A 47 7.612 3.184 -0.322 1.00 0.00 H new ATOM 0 HD12 LEU A 47 8.476 3.080 1.230 1.00 0.00 H new ATOM 0 HD13 LEU A 47 7.108 1.991 0.898 1.00 0.00 H new ATOM 0 HD21 LEU A 47 5.329 4.118 -0.430 1.00 0.00 H new ATOM 0 HD22 LEU A 47 4.743 2.967 0.795 1.00 0.00 H new ATOM 0 HD23 LEU A 47 4.526 4.716 1.041 1.00 0.00 H new ATOM 791 N LYS A 48 7.649 1.277 4.212 1.00 0.00 N ATOM 792 CA LYS A 48 8.754 0.328 4.280 1.00 0.00 C ATOM 793 C LYS A 48 8.244 -1.076 3.947 1.00 0.00 C ATOM 794 O LYS A 48 8.622 -1.673 2.932 1.00 0.00 O ATOM 795 CB LYS A 48 9.347 0.325 5.702 1.00 0.00 C ATOM 796 CG LYS A 48 9.578 1.773 6.184 1.00 0.00 C ATOM 797 CD LYS A 48 10.579 2.486 5.271 1.00 0.00 C ATOM 798 CE LYS A 48 10.838 3.905 5.798 1.00 0.00 C ATOM 799 NZ LYS A 48 9.562 4.674 5.838 1.00 0.00 N ATOM 0 H LYS A 48 7.535 1.860 5.041 1.00 0.00 H new ATOM 0 HA LYS A 48 9.522 0.620 3.564 1.00 0.00 H new ATOM 0 HB2 LYS A 48 8.672 -0.190 6.385 1.00 0.00 H new ATOM 0 HB3 LYS A 48 10.289 -0.224 5.710 1.00 0.00 H new ATOM 0 HG2 LYS A 48 8.633 2.316 6.192 1.00 0.00 H new ATOM 0 HG3 LYS A 48 9.951 1.767 7.208 1.00 0.00 H new ATOM 0 HD2 LYS A 48 11.513 1.926 5.231 1.00 0.00 H new ATOM 0 HD3 LYS A 48 10.191 2.530 4.253 1.00 0.00 H new ATOM 0 HE2 LYS A 48 11.275 3.857 6.795 1.00 0.00 H new ATOM 0 HE3 LYS A 48 11.559 4.414 5.158 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 9.748 5.638 6.180 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 9.153 4.718 4.883 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 8.893 4.203 6.480 1.00 0.00 H new ATOM 813 N ILE A 49 7.317 -1.554 4.765 1.00 0.00 N ATOM 814 CA ILE A 49 6.679 -2.842 4.546 1.00 0.00 C ATOM 815 C ILE A 49 5.814 -2.807 3.282 1.00 0.00 C ATOM 816 O ILE A 49 5.753 -3.777 2.518 1.00 0.00 O ATOM 817 CB ILE A 49 5.809 -3.210 5.775 1.00 0.00 C ATOM 818 CG1 ILE A 49 6.695 -3.425 7.018 1.00 0.00 C ATOM 819 CG2 ILE A 49 5.013 -4.490 5.501 1.00 0.00 C ATOM 820 CD1 ILE A 49 7.635 -4.614 6.798 1.00 0.00 C ATOM 0 H ILE A 49 6.988 -1.062 5.595 1.00 0.00 H new ATOM 0 HA ILE A 49 7.453 -3.598 4.413 1.00 0.00 H new ATOM 0 HB ILE A 49 5.120 -2.386 5.960 1.00 0.00 H new ATOM 0 HG12 ILE A 49 7.276 -2.525 7.220 1.00 0.00 H new ATOM 0 HG13 ILE A 49 6.070 -3.603 7.893 1.00 0.00 H new ATOM 0 HG21 ILE A 49 4.407 -4.735 6.373 1.00 0.00 H new ATOM 0 HG22 ILE A 49 4.363 -4.337 4.639 1.00 0.00 H new ATOM 0 HG23 ILE A 49 5.701 -5.310 5.295 1.00 0.00 H new ATOM 0 HD11 ILE A 49 8.256 -4.756 7.683 1.00 0.00 H new ATOM 0 HD12 ILE A 49 7.047 -5.514 6.619 1.00 0.00 H new ATOM 0 HD13 ILE A 49 8.272 -4.419 5.935 1.00 0.00 H new ATOM 832 N ALA A 50 5.059 -1.725 3.146 1.00 0.00 N ATOM 833 CA ALA A 50 4.044 -1.594 2.113 1.00 0.00 C ATOM 834 C ALA A 50 4.601 -1.719 0.731 1.00 0.00 C ATOM 835 O ALA A 50 3.859 -2.008 -0.205 1.00 0.00 O ATOM 836 CB ALA A 50 3.289 -0.283 2.236 1.00 0.00 C ATOM 0 H ALA A 50 5.135 -0.909 3.754 1.00 0.00 H new ATOM 0 HA ALA A 50 3.355 -2.423 2.273 1.00 0.00 H new ATOM 0 HB1 ALA A 50 2.539 -0.220 1.448 1.00 0.00 H new ATOM 0 HB2 ALA A 50 2.799 -0.235 3.208 1.00 0.00 H new ATOM 0 HB3 ALA A 50 3.987 0.549 2.140 1.00 0.00 H new ATOM 842 N TYR A 51 5.881 -1.453 0.575 1.00 0.00 N ATOM 843 CA TYR A 51 6.466 -1.486 -0.750 1.00 0.00 C ATOM 844 C TYR A 51 6.221 -2.842 -1.392 1.00 0.00 C ATOM 845 O TYR A 51 5.666 -2.923 -2.491 1.00 0.00 O ATOM 846 CB TYR A 51 7.970 -1.203 -0.685 1.00 0.00 C ATOM 847 CG TYR A 51 8.560 -1.404 -2.059 1.00 0.00 C ATOM 848 CD1 TYR A 51 8.351 -0.450 -3.057 1.00 0.00 C ATOM 849 CD2 TYR A 51 9.300 -2.559 -2.336 1.00 0.00 C ATOM 850 CE1 TYR A 51 8.886 -0.648 -4.331 1.00 0.00 C ATOM 851 CE2 TYR A 51 9.828 -2.758 -3.606 1.00 0.00 C ATOM 852 CZ TYR A 51 9.625 -1.805 -4.605 1.00 0.00 C ATOM 853 OH TYR A 51 10.146 -2.011 -5.864 1.00 0.00 O ATOM 0 H TYR A 51 6.525 -1.216 1.330 1.00 0.00 H new ATOM 0 HA TYR A 51 5.994 -0.712 -1.355 1.00 0.00 H new ATOM 0 HB2 TYR A 51 8.148 -0.184 -0.343 1.00 0.00 H new ATOM 0 HB3 TYR A 51 8.449 -1.869 0.033 1.00 0.00 H new ATOM 0 HD1 TYR A 51 7.777 0.439 -2.844 1.00 0.00 H new ATOM 0 HD2 TYR A 51 9.461 -3.296 -1.563 1.00 0.00 H new ATOM 0 HE1 TYR A 51 8.730 0.090 -5.104 1.00 0.00 H new ATOM 0 HE2 TYR A 51 10.396 -3.651 -3.820 1.00 0.00 H new ATOM 0 HH TYR A 51 10.632 -2.862 -5.882 1.00 0.00 H new ATOM 863 N TYR A 52 6.505 -3.903 -0.660 1.00 0.00 N ATOM 864 CA TYR A 52 6.182 -5.242 -1.132 1.00 0.00 C ATOM 865 C TYR A 52 4.685 -5.492 -1.141 1.00 0.00 C ATOM 866 O TYR A 52 4.144 -6.069 -2.088 1.00 0.00 O ATOM 867 CB TYR A 52 6.951 -6.310 -0.367 1.00 0.00 C ATOM 868 CG TYR A 52 8.336 -6.347 -0.956 1.00 0.00 C ATOM 869 CD1 TYR A 52 8.585 -7.118 -2.102 1.00 0.00 C ATOM 870 CD2 TYR A 52 9.357 -5.581 -0.399 1.00 0.00 C ATOM 871 CE1 TYR A 52 9.858 -7.118 -2.679 1.00 0.00 C ATOM 872 CE2 TYR A 52 10.628 -5.592 -0.972 1.00 0.00 C ATOM 873 CZ TYR A 52 10.877 -6.356 -2.114 1.00 0.00 C ATOM 874 OH TYR A 52 12.125 -6.342 -2.691 1.00 0.00 O ATOM 0 H TYR A 52 6.954 -3.868 0.255 1.00 0.00 H new ATOM 0 HA TYR A 52 6.510 -5.309 -2.169 1.00 0.00 H new ATOM 0 HB2 TYR A 52 6.988 -6.074 0.696 1.00 0.00 H new ATOM 0 HB3 TYR A 52 6.464 -7.281 -0.461 1.00 0.00 H new ATOM 0 HD1 TYR A 52 7.794 -7.711 -2.537 1.00 0.00 H new ATOM 0 HD2 TYR A 52 9.164 -4.979 0.476 1.00 0.00 H new ATOM 0 HE1 TYR A 52 10.051 -7.709 -3.562 1.00 0.00 H new ATOM 0 HE2 TYR A 52 11.422 -5.008 -0.531 1.00 0.00 H new ATOM 0 HH TYR A 52 12.719 -5.759 -2.173 1.00 0.00 H new ATOM 884 N LEU A 53 3.992 -4.977 -0.138 1.00 0.00 N ATOM 885 CA LEU A 53 2.546 -5.091 -0.114 1.00 0.00 C ATOM 886 C LEU A 53 1.962 -4.210 -1.203 1.00 0.00 C ATOM 887 O LEU A 53 1.402 -3.144 -0.926 1.00 0.00 O ATOM 888 CB LEU A 53 1.985 -4.681 1.260 1.00 0.00 C ATOM 889 CG LEU A 53 2.125 -5.843 2.266 1.00 0.00 C ATOM 890 CD1 LEU A 53 3.601 -6.188 2.462 1.00 0.00 C ATOM 891 CD2 LEU A 53 1.528 -5.431 3.619 1.00 0.00 C ATOM 0 H LEU A 53 4.400 -4.484 0.657 1.00 0.00 H new ATOM 0 HA LEU A 53 2.268 -6.130 -0.292 1.00 0.00 H new ATOM 0 HB2 LEU A 53 2.517 -3.805 1.630 1.00 0.00 H new ATOM 0 HB3 LEU A 53 0.936 -4.400 1.163 1.00 0.00 H new ATOM 0 HG LEU A 53 1.594 -6.711 1.876 1.00 0.00 H new ATOM 0 HD11 LEU A 53 3.691 -7.009 3.173 1.00 0.00 H new ATOM 0 HD12 LEU A 53 4.035 -6.486 1.507 1.00 0.00 H new ATOM 0 HD13 LEU A 53 4.131 -5.316 2.845 1.00 0.00 H new ATOM 0 HD21 LEU A 53 1.629 -6.254 4.327 1.00 0.00 H new ATOM 0 HD22 LEU A 53 2.058 -4.558 4.000 1.00 0.00 H new ATOM 0 HD23 LEU A 53 0.473 -5.188 3.492 1.00 0.00 H new ATOM 903 N ASN A 54 2.134 -4.644 -2.451 1.00 0.00 N ATOM 904 CA ASN A 54 1.671 -3.891 -3.615 1.00 0.00 C ATOM 905 C ASN A 54 0.196 -3.511 -3.468 1.00 0.00 C ATOM 906 O ASN A 54 -0.707 -4.283 -3.802 1.00 0.00 O ATOM 907 CB ASN A 54 1.919 -4.681 -4.914 1.00 0.00 C ATOM 908 CG ASN A 54 0.913 -5.816 -5.075 1.00 0.00 C ATOM 909 OD1 ASN A 54 0.880 -6.726 -4.258 1.00 0.00 O ATOM 910 ND2 ASN A 54 0.091 -5.821 -6.073 1.00 0.00 N ATOM 0 H ASN A 54 2.596 -5.523 -2.683 1.00 0.00 H new ATOM 0 HA ASN A 54 2.247 -2.967 -3.673 1.00 0.00 H new ATOM 0 HB2 ASN A 54 1.851 -4.009 -5.769 1.00 0.00 H new ATOM 0 HB3 ASN A 54 2.930 -5.087 -4.907 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -0.581 -6.581 -6.176 1.00 0.00 H new ATOM 0 HD22 ASN A 54 0.115 -5.065 -6.757 1.00 0.00 H new ATOM 917 N THR A 55 -0.029 -2.379 -2.845 1.00 0.00 N ATOM 918 CA THR A 55 -1.366 -1.929 -2.505 1.00 0.00 C ATOM 919 C THR A 55 -1.308 -0.437 -2.166 1.00 0.00 C ATOM 920 O THR A 55 -0.380 -0.002 -1.476 1.00 0.00 O ATOM 921 CB THR A 55 -1.853 -2.734 -1.276 1.00 0.00 C ATOM 922 OG1 THR A 55 -0.935 -3.797 -1.010 1.00 0.00 O ATOM 923 CG2 THR A 55 -3.240 -3.326 -1.518 1.00 0.00 C ATOM 0 H THR A 55 0.710 -1.738 -2.557 1.00 0.00 H new ATOM 0 HA THR A 55 -2.053 -2.083 -3.337 1.00 0.00 H new ATOM 0 HB THR A 55 -1.907 -2.055 -0.425 1.00 0.00 H new ATOM 0 HG1 THR A 55 -0.226 -3.475 -0.415 1.00 0.00 H new ATOM 0 HG21 THR A 55 -3.555 -3.886 -0.637 1.00 0.00 H new ATOM 0 HG22 THR A 55 -3.950 -2.522 -1.710 1.00 0.00 H new ATOM 0 HG23 THR A 55 -3.206 -3.993 -2.379 1.00 0.00 H new ATOM 931 N PRO A 56 -2.235 0.362 -2.660 1.00 0.00 N ATOM 932 CA PRO A 56 -2.197 1.837 -2.400 1.00 0.00 C ATOM 933 C PRO A 56 -2.417 2.157 -0.922 1.00 0.00 C ATOM 934 O PRO A 56 -3.525 2.020 -0.406 1.00 0.00 O ATOM 935 CB PRO A 56 -3.343 2.398 -3.253 1.00 0.00 C ATOM 936 CG PRO A 56 -4.272 1.243 -3.465 1.00 0.00 C ATOM 937 CD PRO A 56 -3.404 -0.016 -3.483 1.00 0.00 C ATOM 0 HA PRO A 56 -1.229 2.270 -2.651 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -3.846 3.221 -2.745 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -2.974 2.787 -4.202 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -5.014 1.191 -2.668 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -4.818 1.351 -4.402 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -3.931 -0.873 -3.063 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -3.111 -0.287 -4.497 1.00 0.00 H new ATOM 945 N LEU A 57 -1.374 2.623 -0.259 1.00 0.00 N ATOM 946 CA LEU A 57 -1.439 2.910 1.168 1.00 0.00 C ATOM 947 C LEU A 57 -2.450 3.985 1.495 1.00 0.00 C ATOM 948 O LEU A 57 -3.142 3.907 2.516 1.00 0.00 O ATOM 949 CB LEU A 57 -0.074 3.325 1.706 1.00 0.00 C ATOM 950 CG LEU A 57 0.879 2.126 1.699 1.00 0.00 C ATOM 951 CD1 LEU A 57 2.273 2.593 2.109 1.00 0.00 C ATOM 952 CD2 LEU A 57 0.385 1.061 2.695 1.00 0.00 C ATOM 0 H LEU A 57 -0.467 2.812 -0.685 1.00 0.00 H new ATOM 0 HA LEU A 57 -1.757 1.986 1.650 1.00 0.00 H new ATOM 0 HB2 LEU A 57 0.337 4.130 1.097 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -0.176 3.713 2.720 1.00 0.00 H new ATOM 0 HG LEU A 57 0.911 1.694 0.699 1.00 0.00 H new ATOM 0 HD11 LEU A 57 2.957 1.744 2.106 1.00 0.00 H new ATOM 0 HD12 LEU A 57 2.626 3.346 1.404 1.00 0.00 H new ATOM 0 HD13 LEU A 57 2.233 3.023 3.110 1.00 0.00 H new ATOM 0 HD21 LEU A 57 1.067 0.210 2.686 1.00 0.00 H new ATOM 0 HD22 LEU A 57 0.351 1.488 3.697 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -0.613 0.729 2.408 1.00 0.00 H new ATOM 964 N GLU A 58 -2.496 5.018 0.693 1.00 0.00 N ATOM 965 CA GLU A 58 -3.388 6.125 0.975 1.00 0.00 C ATOM 966 C GLU A 58 -4.825 5.610 1.067 1.00 0.00 C ATOM 967 O GLU A 58 -5.530 5.860 2.045 1.00 0.00 O ATOM 968 CB GLU A 58 -3.286 7.172 -0.134 1.00 0.00 C ATOM 969 CG GLU A 58 -1.815 7.555 -0.362 1.00 0.00 C ATOM 970 CD GLU A 58 -1.166 6.584 -1.328 1.00 0.00 C ATOM 971 OE1 GLU A 58 -1.574 6.555 -2.464 1.00 0.00 O ATOM 972 OE2 GLU A 58 -0.274 5.876 -0.917 1.00 0.00 O ATOM 0 H GLU A 58 -1.935 5.120 -0.153 1.00 0.00 H new ATOM 0 HA GLU A 58 -3.104 6.583 1.923 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -3.715 6.780 -1.056 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -3.863 8.057 0.136 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -1.752 8.569 -0.757 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -1.279 7.549 0.587 1.00 0.00 H new ATOM 979 N ASP A 59 -5.194 4.788 0.097 1.00 0.00 N ATOM 980 CA ASP A 59 -6.491 4.112 0.108 1.00 0.00 C ATOM 981 C ASP A 59 -6.567 3.120 1.269 1.00 0.00 C ATOM 982 O ASP A 59 -7.618 2.967 1.906 1.00 0.00 O ATOM 983 CB ASP A 59 -6.751 3.400 -1.227 1.00 0.00 C ATOM 984 CG ASP A 59 -7.344 4.366 -2.251 1.00 0.00 C ATOM 985 OD1 ASP A 59 -7.933 5.352 -1.855 1.00 0.00 O ATOM 986 OD2 ASP A 59 -7.190 4.118 -3.420 1.00 0.00 O ATOM 0 H ASP A 59 -4.614 4.569 -0.713 1.00 0.00 H new ATOM 0 HA ASP A 59 -7.266 4.867 0.245 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -5.819 2.984 -1.610 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -7.433 2.564 -1.072 1.00 0.00 H new ATOM 991 N ILE A 60 -5.436 2.476 1.561 1.00 0.00 N ATOM 992 CA ILE A 60 -5.344 1.535 2.677 1.00 0.00 C ATOM 993 C ILE A 60 -5.590 2.226 4.001 1.00 0.00 C ATOM 994 O ILE A 60 -6.295 1.695 4.852 1.00 0.00 O ATOM 995 CB ILE A 60 -3.963 0.851 2.693 1.00 0.00 C ATOM 996 CG1 ILE A 60 -3.824 -0.108 1.514 1.00 0.00 C ATOM 997 CG2 ILE A 60 -3.697 0.096 4.008 1.00 0.00 C ATOM 998 CD1 ILE A 60 -2.373 -0.566 1.411 1.00 0.00 C ATOM 0 H ILE A 60 -4.568 2.590 1.037 1.00 0.00 H new ATOM 0 HA ILE A 60 -6.117 0.779 2.536 1.00 0.00 H new ATOM 0 HB ILE A 60 -3.220 1.644 2.609 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -4.481 -0.967 1.649 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -4.129 0.385 0.591 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -2.711 -0.368 3.968 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -3.736 0.795 4.843 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -4.455 -0.675 4.145 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -2.267 -1.252 0.570 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -1.728 0.299 1.257 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -2.085 -1.074 2.332 1.00 0.00 H new ATOM 1010 N PHE A 61 -4.997 3.388 4.198 1.00 0.00 N ATOM 1011 CA PHE A 61 -5.159 4.057 5.480 1.00 0.00 C ATOM 1012 C PHE A 61 -6.636 4.340 5.687 1.00 0.00 C ATOM 1013 O PHE A 61 -7.298 4.879 4.795 1.00 0.00 O ATOM 1014 CB PHE A 61 -4.358 5.364 5.523 1.00 0.00 C ATOM 1015 CG PHE A 61 -4.207 5.803 6.960 1.00 0.00 C ATOM 1016 CD1 PHE A 61 -3.173 5.275 7.737 1.00 0.00 C ATOM 1017 CD2 PHE A 61 -5.096 6.722 7.516 1.00 0.00 C ATOM 1018 CE1 PHE A 61 -3.026 5.665 9.069 1.00 0.00 C ATOM 1019 CE2 PHE A 61 -4.953 7.111 8.850 1.00 0.00 C ATOM 1020 CZ PHE A 61 -3.917 6.581 9.627 1.00 0.00 C ATOM 0 H PHE A 61 -4.418 3.877 3.515 1.00 0.00 H new ATOM 0 HA PHE A 61 -4.782 3.414 6.276 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -3.378 5.220 5.069 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -4.866 6.136 4.945 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -2.485 4.563 7.306 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -5.894 7.133 6.916 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -2.224 5.258 9.666 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -5.642 7.821 9.282 1.00 0.00 H new ATOM 0 HZ PHE A 61 -3.808 6.881 10.659 1.00 0.00 H new