USER MOD reduce.3.24.130724 H: found=0, std=0, add=901, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 903 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 45 HIS : no HD1:sc= -11.4! C(o=-14!,f=-15!) USER MOD Set 1.2: B 6 ASN : amide:sc= -0.0734 K(o=-14,f=-21) USER MOD Set 1.3: B 39 GLN : amide:sc= -2.62! C(o=-14!,f=-18!) USER MOD Single : A 6 ASN : amide:sc= 1.12 K(o=1.1,f=-0.068) USER MOD Single : A 9 LYS NZ :NH3+ -164:sc= 1.36 (180deg=1.26) USER MOD Single : A 15 CYS SG : rot 83:sc= -0.233 USER MOD Single : A 19 MET CE :methyl -131:sc= -0.526 (180deg=-2.77!) USER MOD Single : A 20 LYS NZ :NH3+ 175:sc= -1.75! (180deg=-1.85) USER MOD Single : A 21 GLN :FLIP amide:sc= -0.344 F(o=-1.5,f=-0.34) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 30 ASN : amide:sc= 0.339 K(o=0.34,f=-10!) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 LYS NZ :NH3+ -114:sc= -0.447 (180deg=-1.41!) USER MOD Single : A 39 GLN : amide:sc= -1.3 K(o=-1.3,f=-4.9!) USER MOD Single : A 44 THR OG1 : rot -25:sc= 0.39 USER MOD Single : A 54 ASN : amide:sc= -0.0264 X(o=-0.026,f=-0.026) USER MOD Single : A 57 GLN :FLIP amide:sc= -0.569 F(o=-1.8,f=-0.57) USER MOD Single : B 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 15 CYS SG : rot 180:sc= 0.205 USER MOD Single : B 19 MET CE :methyl -115:sc= -0.92 (180deg=-5.02!) USER MOD Single : B 20 LYS NZ :NH3+ 159:sc= 1.06 (180deg=0.837) USER MOD Single : B 21 GLN : amide:sc= -3.1! C(o=-3.1!,f=-4.6!) USER MOD Single : B 25 TYR OH : rot 180:sc= 0 USER MOD Single : B 29 SER OG : rot -19:sc= 1.22 USER MOD Single : B 30 ASN : amide:sc= 0.466 K(o=0.47,f=-10!) USER MOD Single : B 34 LYS NZ :NH3+ -162:sc= -0.0368 (180deg=-0.309) USER MOD Single : B 35 LYS NZ :NH3+ 173:sc= 2.41 (180deg=2.21) USER MOD Single : B 44 THR OG1 : rot -15:sc= 0.111 USER MOD Single : B 45 HIS : +bothHN:sc= -10.5! C(o=-11!,f=-15!) USER MOD Single : B 54 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 57 GLN :FLIP amide:sc= -0.439 F(o=-1.8,f=-0.44) USER MOD ----------------------------------------------------------------- ATOM 56 N VAL A 5 -7.896 -7.137 7.196 1.00 0.00 N ATOM 57 CA VAL A 5 -8.119 -5.680 7.040 1.00 0.00 C ATOM 58 C VAL A 5 -6.937 -4.773 7.417 1.00 0.00 C ATOM 59 O VAL A 5 -6.737 -4.420 8.588 1.00 0.00 O ATOM 60 CB VAL A 5 -9.436 -5.141 7.660 1.00 0.00 C ATOM 61 CG1 VAL A 5 -9.574 -3.649 7.356 1.00 0.00 C ATOM 62 CG2 VAL A 5 -10.644 -5.872 7.109 1.00 0.00 C ATOM 0 HA VAL A 5 -8.222 -5.614 5.957 1.00 0.00 H new ATOM 0 HB VAL A 5 -9.393 -5.305 8.737 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -10.499 -3.273 7.792 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -8.727 -3.111 7.782 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -9.594 -3.498 6.277 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -11.550 -5.471 7.563 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -10.689 -5.737 6.028 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -10.562 -6.934 7.339 1.00 0.00 H new ATOM 72 N ASN A 6 -6.199 -4.379 6.418 1.00 0.00 N ATOM 73 CA ASN A 6 -5.093 -3.438 6.582 1.00 0.00 C ATOM 74 C ASN A 6 -5.140 -2.431 5.501 1.00 0.00 C ATOM 75 O ASN A 6 -4.744 -2.676 4.343 1.00 0.00 O ATOM 76 CB ASN A 6 -3.722 -4.106 6.587 1.00 0.00 C ATOM 77 CG ASN A 6 -3.435 -4.823 7.861 1.00 0.00 C ATOM 78 OD1 ASN A 6 -2.884 -4.251 8.803 1.00 0.00 O ATOM 79 ND2 ASN A 6 -3.753 -6.066 7.907 1.00 0.00 N ATOM 0 H ASN A 6 -6.336 -4.694 5.458 1.00 0.00 H new ATOM 0 HA ASN A 6 -5.221 -2.972 7.559 1.00 0.00 H new ATOM 0 HB2 ASN A 6 -3.663 -4.811 5.757 1.00 0.00 H new ATOM 0 HB3 ASN A 6 -2.954 -3.351 6.419 1.00 0.00 H new ATOM 0 HD21 ASN A 6 -3.550 -6.614 8.743 1.00 0.00 H new ATOM 0 HD22 ASN A 6 -4.208 -6.506 7.107 1.00 0.00 H new ATOM 86 N VAL A 7 -5.671 -1.346 5.836 1.00 0.00 N ATOM 87 CA VAL A 7 -5.796 -0.254 4.935 1.00 0.00 C ATOM 88 C VAL A 7 -5.031 0.956 5.471 1.00 0.00 C ATOM 89 O VAL A 7 -5.183 1.313 6.634 1.00 0.00 O ATOM 90 CB VAL A 7 -7.298 0.071 4.636 1.00 0.00 C ATOM 91 CG1 VAL A 7 -8.101 0.237 5.923 1.00 0.00 C ATOM 92 CG2 VAL A 7 -7.443 1.311 3.778 1.00 0.00 C ATOM 0 H VAL A 7 -6.049 -1.165 6.766 1.00 0.00 H new ATOM 0 HA VAL A 7 -5.350 -0.532 3.980 1.00 0.00 H new ATOM 0 HB VAL A 7 -7.697 -0.779 4.083 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -9.139 0.462 5.678 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -8.056 -0.686 6.501 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -7.682 1.054 6.511 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -8.500 1.504 3.592 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -7.004 2.164 4.295 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -6.930 1.159 2.829 1.00 0.00 H new ATOM 102 N LEU A 8 -4.215 1.569 4.656 1.00 0.00 N ATOM 103 CA LEU A 8 -3.426 2.692 5.116 1.00 0.00 C ATOM 104 C LEU A 8 -2.991 3.594 3.978 1.00 0.00 C ATOM 105 O LEU A 8 -3.163 3.256 2.790 1.00 0.00 O ATOM 106 CB LEU A 8 -2.217 2.254 5.994 1.00 0.00 C ATOM 107 CG LEU A 8 -1.119 1.400 5.385 1.00 0.00 C ATOM 108 CD1 LEU A 8 -0.052 1.163 6.417 1.00 0.00 C ATOM 109 CD2 LEU A 8 -1.624 0.077 4.862 1.00 0.00 C ATOM 0 H LEU A 8 -4.076 1.317 3.678 1.00 0.00 H new ATOM 0 HA LEU A 8 -4.084 3.279 5.757 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -1.749 3.160 6.381 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -2.616 1.711 6.851 1.00 0.00 H new ATOM 0 HG LEU A 8 -0.718 1.944 4.530 1.00 0.00 H new ATOM 0 HD11 LEU A 8 0.740 0.550 5.987 1.00 0.00 H new ATOM 0 HD12 LEU A 8 0.362 2.119 6.738 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -0.484 0.648 7.275 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -0.793 -0.488 4.439 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -2.071 -0.490 5.678 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -2.373 0.253 4.090 1.00 0.00 H new ATOM 121 N LYS A 9 -2.443 4.727 4.350 1.00 0.00 N ATOM 122 CA LYS A 9 -2.015 5.755 3.428 1.00 0.00 C ATOM 123 C LYS A 9 -0.525 5.642 3.184 1.00 0.00 C ATOM 124 O LYS A 9 0.248 5.421 4.125 1.00 0.00 O ATOM 125 CB LYS A 9 -2.267 7.127 4.054 1.00 0.00 C ATOM 126 CG LYS A 9 -1.811 8.291 3.175 1.00 0.00 C ATOM 127 CD LYS A 9 -1.597 9.565 3.968 1.00 0.00 C ATOM 128 CE LYS A 9 -1.099 10.687 3.063 1.00 0.00 C ATOM 129 NZ LYS A 9 -0.724 11.900 3.819 1.00 0.00 N ATOM 0 H LYS A 9 -2.278 4.966 5.328 1.00 0.00 H new ATOM 0 HA LYS A 9 -2.566 5.637 2.495 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -3.332 7.233 4.260 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -1.750 7.181 5.012 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -0.883 8.020 2.671 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -2.555 8.470 2.399 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -2.531 9.863 4.445 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -0.875 9.386 4.765 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -0.237 10.336 2.495 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -1.876 10.939 2.341 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -0.655 12.708 3.167 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -1.448 12.098 4.539 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 0.195 11.750 4.283 1.00 0.00 H new ATOM 143 N GLY A 10 -0.115 5.798 1.952 1.00 0.00 N ATOM 144 CA GLY A 10 1.274 5.805 1.674 1.00 0.00 C ATOM 145 C GLY A 10 1.581 5.509 0.243 1.00 0.00 C ATOM 146 O GLY A 10 0.801 5.846 -0.658 1.00 0.00 O ATOM 0 H GLY A 10 -0.724 5.920 1.143 1.00 0.00 H new ATOM 0 HA2 GLY A 10 1.687 6.779 1.935 1.00 0.00 H new ATOM 0 HA3 GLY A 10 1.770 5.069 2.307 1.00 0.00 H new ATOM 150 N VAL A 11 2.695 4.869 0.032 1.00 0.00 N ATOM 151 CA VAL A 11 3.152 4.553 -1.262 1.00 0.00 C ATOM 152 C VAL A 11 3.391 3.035 -1.351 1.00 0.00 C ATOM 153 O VAL A 11 3.953 2.395 -0.452 1.00 0.00 O ATOM 154 CB VAL A 11 4.419 5.398 -1.641 1.00 0.00 C ATOM 155 CG1 VAL A 11 5.668 4.990 -0.905 1.00 0.00 C ATOM 156 CG2 VAL A 11 4.660 5.471 -3.120 1.00 0.00 C ATOM 0 H VAL A 11 3.313 4.552 0.779 1.00 0.00 H new ATOM 0 HA VAL A 11 2.394 4.818 -1.998 1.00 0.00 H new ATOM 0 HB VAL A 11 4.177 6.405 -1.302 1.00 0.00 H new ATOM 0 HG11 VAL A 11 6.499 5.620 -1.222 1.00 0.00 H new ATOM 0 HG12 VAL A 11 5.513 5.106 0.168 1.00 0.00 H new ATOM 0 HG13 VAL A 11 5.898 3.948 -1.128 1.00 0.00 H new ATOM 0 HG21 VAL A 11 5.550 6.069 -3.315 1.00 0.00 H new ATOM 0 HG22 VAL A 11 4.805 4.466 -3.515 1.00 0.00 H new ATOM 0 HG23 VAL A 11 3.800 5.931 -3.606 1.00 0.00 H new ATOM 166 N LEU A 12 2.921 2.503 -2.390 1.00 0.00 N ATOM 167 CA LEU A 12 2.939 1.105 -2.683 1.00 0.00 C ATOM 168 C LEU A 12 4.133 0.818 -3.568 1.00 0.00 C ATOM 169 O LEU A 12 4.427 1.603 -4.424 1.00 0.00 O ATOM 170 CB LEU A 12 1.646 0.835 -3.464 1.00 0.00 C ATOM 171 CG LEU A 12 1.547 -0.454 -4.244 1.00 0.00 C ATOM 172 CD1 LEU A 12 1.487 -1.654 -3.319 1.00 0.00 C ATOM 173 CD2 LEU A 12 0.356 -0.401 -5.177 1.00 0.00 C ATOM 0 H LEU A 12 2.477 3.053 -3.125 1.00 0.00 H new ATOM 0 HA LEU A 12 3.006 0.487 -1.788 1.00 0.00 H new ATOM 0 HB2 LEU A 12 0.817 0.863 -2.757 1.00 0.00 H new ATOM 0 HB3 LEU A 12 1.498 1.660 -4.161 1.00 0.00 H new ATOM 0 HG LEU A 12 2.447 -0.569 -4.848 1.00 0.00 H new ATOM 0 HD11 LEU A 12 1.416 -2.567 -3.911 1.00 0.00 H new ATOM 0 HD12 LEU A 12 2.389 -1.687 -2.707 1.00 0.00 H new ATOM 0 HD13 LEU A 12 0.613 -1.572 -2.673 1.00 0.00 H new ATOM 0 HD21 LEU A 12 0.290 -1.334 -5.737 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -0.556 -0.262 -4.596 1.00 0.00 H new ATOM 0 HD23 LEU A 12 0.474 0.431 -5.871 1.00 0.00 H new ATOM 185 N ILE A 13 4.825 -0.281 -3.332 1.00 0.00 N ATOM 186 CA ILE A 13 5.956 -0.673 -4.169 1.00 0.00 C ATOM 187 C ILE A 13 5.921 -2.161 -4.545 1.00 0.00 C ATOM 188 O ILE A 13 5.747 -3.039 -3.686 1.00 0.00 O ATOM 189 CB ILE A 13 7.358 -0.228 -3.548 1.00 0.00 C ATOM 190 CG1 ILE A 13 8.578 -1.070 -4.023 1.00 0.00 C ATOM 191 CG2 ILE A 13 7.325 -0.127 -2.048 1.00 0.00 C ATOM 192 CD1 ILE A 13 8.979 -0.891 -5.471 1.00 0.00 C ATOM 0 H ILE A 13 4.627 -0.924 -2.565 1.00 0.00 H new ATOM 0 HA ILE A 13 5.850 -0.123 -5.104 1.00 0.00 H new ATOM 0 HB ILE A 13 7.513 0.773 -3.951 1.00 0.00 H new ATOM 0 HG12 ILE A 13 9.434 -0.821 -3.395 1.00 0.00 H new ATOM 0 HG13 ILE A 13 8.356 -2.124 -3.855 1.00 0.00 H new ATOM 0 HG21 ILE A 13 8.305 0.179 -1.682 1.00 0.00 H new ATOM 0 HG22 ILE A 13 6.580 0.610 -1.749 1.00 0.00 H new ATOM 0 HG23 ILE A 13 7.066 -1.097 -1.624 1.00 0.00 H new ATOM 0 HD11 ILE A 13 9.838 -1.524 -5.692 1.00 0.00 H new ATOM 0 HD12 ILE A 13 8.147 -1.171 -6.116 1.00 0.00 H new ATOM 0 HD13 ILE A 13 9.241 0.152 -5.650 1.00 0.00 H new ATOM 204 N GLU A 14 5.970 -2.397 -5.843 1.00 0.00 N ATOM 205 CA GLU A 14 6.132 -3.700 -6.448 1.00 0.00 C ATOM 206 C GLU A 14 7.227 -3.596 -7.454 1.00 0.00 C ATOM 207 O GLU A 14 7.364 -2.566 -8.109 1.00 0.00 O ATOM 208 CB GLU A 14 4.865 -4.165 -7.170 1.00 0.00 C ATOM 209 CG GLU A 14 5.024 -5.445 -8.017 1.00 0.00 C ATOM 210 CD GLU A 14 3.722 -6.116 -8.398 1.00 0.00 C ATOM 211 OE1 GLU A 14 3.105 -5.745 -9.399 1.00 0.00 O ATOM 212 OE2 GLU A 14 3.272 -7.003 -7.665 1.00 0.00 O ATOM 0 H GLU A 14 5.894 -1.650 -6.533 1.00 0.00 H new ATOM 0 HA GLU A 14 6.354 -4.421 -5.661 1.00 0.00 H new ATOM 0 HB2 GLU A 14 4.085 -4.334 -6.428 1.00 0.00 H new ATOM 0 HB3 GLU A 14 4.519 -3.360 -7.818 1.00 0.00 H new ATOM 0 HG2 GLU A 14 5.569 -5.197 -8.928 1.00 0.00 H new ATOM 0 HG3 GLU A 14 5.636 -6.157 -7.463 1.00 0.00 H new ATOM 219 N CYS A 15 7.969 -4.627 -7.559 1.00 0.00 N ATOM 220 CA CYS A 15 9.028 -4.770 -8.483 1.00 0.00 C ATOM 221 C CYS A 15 9.263 -6.254 -8.501 1.00 0.00 C ATOM 222 O CYS A 15 8.397 -7.007 -8.041 1.00 0.00 O ATOM 223 CB CYS A 15 10.270 -4.025 -7.971 1.00 0.00 C ATOM 224 SG CYS A 15 11.652 -3.926 -9.136 1.00 0.00 S ATOM 0 H CYS A 15 7.848 -5.448 -6.965 1.00 0.00 H new ATOM 0 HA CYS A 15 8.810 -4.364 -9.471 1.00 0.00 H new ATOM 0 HB2 CYS A 15 9.977 -3.012 -7.695 1.00 0.00 H new ATOM 0 HB3 CYS A 15 10.618 -4.516 -7.062 1.00 0.00 H new ATOM 0 HG CYS A 15 11.458 -2.937 -9.957 1.00 0.00 H new ATOM 230 N ASP A 16 10.365 -6.700 -9.011 1.00 0.00 N ATOM 231 CA ASP A 16 10.683 -8.093 -8.889 1.00 0.00 C ATOM 232 C ASP A 16 11.125 -8.294 -7.449 1.00 0.00 C ATOM 233 O ASP A 16 11.824 -7.421 -6.926 1.00 0.00 O ATOM 234 CB ASP A 16 11.802 -8.490 -9.850 1.00 0.00 C ATOM 235 CG ASP A 16 12.064 -9.975 -9.835 1.00 0.00 C ATOM 236 OD1 ASP A 16 11.342 -10.718 -10.540 1.00 0.00 O ATOM 237 OD2 ASP A 16 12.966 -10.434 -9.119 1.00 0.00 O ATOM 0 H ASP A 16 11.053 -6.134 -9.509 1.00 0.00 H new ATOM 0 HA ASP A 16 9.823 -8.714 -9.139 1.00 0.00 H new ATOM 0 HB2 ASP A 16 11.538 -8.179 -10.861 1.00 0.00 H new ATOM 0 HB3 ASP A 16 12.715 -7.959 -9.581 1.00 0.00 H new ATOM 242 N PRO A 17 10.704 -9.414 -6.772 1.00 0.00 N ATOM 243 CA PRO A 17 11.011 -9.729 -5.330 1.00 0.00 C ATOM 244 C PRO A 17 12.469 -9.527 -4.897 1.00 0.00 C ATOM 245 O PRO A 17 12.786 -9.545 -3.699 1.00 0.00 O ATOM 246 CB PRO A 17 10.617 -11.181 -5.230 1.00 0.00 C ATOM 247 CG PRO A 17 9.454 -11.261 -6.129 1.00 0.00 C ATOM 248 CD PRO A 17 9.845 -10.469 -7.338 1.00 0.00 C ATOM 0 HA PRO A 17 10.480 -9.048 -4.665 1.00 0.00 H new ATOM 0 HB2 PRO A 17 11.422 -11.842 -5.549 1.00 0.00 H new ATOM 0 HB3 PRO A 17 10.360 -11.462 -4.209 1.00 0.00 H new ATOM 0 HG2 PRO A 17 9.227 -12.295 -6.390 1.00 0.00 H new ATOM 0 HG3 PRO A 17 8.562 -10.848 -5.658 1.00 0.00 H new ATOM 0 HD2 PRO A 17 10.380 -11.079 -8.066 1.00 0.00 H new ATOM 0 HD3 PRO A 17 8.976 -10.053 -7.848 1.00 0.00 H new ATOM 256 N ALA A 18 13.321 -9.340 -5.862 1.00 0.00 N ATOM 257 CA ALA A 18 14.689 -8.956 -5.679 1.00 0.00 C ATOM 258 C ALA A 18 14.772 -7.708 -4.788 1.00 0.00 C ATOM 259 O ALA A 18 15.539 -7.671 -3.809 1.00 0.00 O ATOM 260 CB ALA A 18 15.230 -8.617 -7.035 1.00 0.00 C ATOM 0 H ALA A 18 13.069 -9.457 -6.843 1.00 0.00 H new ATOM 0 HA ALA A 18 15.253 -9.761 -5.207 1.00 0.00 H new ATOM 0 HB1 ALA A 18 16.274 -8.317 -6.946 1.00 0.00 H new ATOM 0 HB2 ALA A 18 15.157 -9.489 -7.684 1.00 0.00 H new ATOM 0 HB3 ALA A 18 14.653 -7.797 -7.463 1.00 0.00 H new ATOM 266 N MET A 19 13.926 -6.696 -5.082 1.00 0.00 N ATOM 267 CA MET A 19 13.962 -5.473 -4.292 1.00 0.00 C ATOM 268 C MET A 19 13.411 -5.776 -2.932 1.00 0.00 C ATOM 269 O MET A 19 13.819 -5.203 -1.951 1.00 0.00 O ATOM 270 CB MET A 19 13.154 -4.286 -4.904 1.00 0.00 C ATOM 271 CG MET A 19 11.671 -4.159 -4.434 1.00 0.00 C ATOM 272 SD MET A 19 10.586 -5.496 -4.954 1.00 0.00 S ATOM 273 CE MET A 19 9.064 -4.993 -4.162 1.00 0.00 C ATOM 0 H MET A 19 13.238 -6.709 -5.835 1.00 0.00 H new ATOM 0 HA MET A 19 15.003 -5.151 -4.261 1.00 0.00 H new ATOM 0 HB2 MET A 19 13.672 -3.357 -4.665 1.00 0.00 H new ATOM 0 HB3 MET A 19 13.164 -4.386 -5.989 1.00 0.00 H new ATOM 0 HG2 MET A 19 11.655 -4.102 -3.346 1.00 0.00 H new ATOM 0 HG3 MET A 19 11.267 -3.218 -4.808 1.00 0.00 H new ATOM 0 HE1 MET A 19 8.639 -5.838 -3.620 1.00 0.00 H new ATOM 0 HE2 MET A 19 9.268 -4.180 -3.465 1.00 0.00 H new ATOM 0 HE3 MET A 19 8.356 -4.654 -4.918 1.00 0.00 H new ATOM 283 N LYS A 20 12.487 -6.713 -2.893 1.00 0.00 N ATOM 284 CA LYS A 20 11.825 -7.074 -1.696 1.00 0.00 C ATOM 285 C LYS A 20 12.808 -7.596 -0.668 1.00 0.00 C ATOM 286 O LYS A 20 12.798 -7.154 0.508 1.00 0.00 O ATOM 287 CB LYS A 20 10.635 -8.029 -1.969 1.00 0.00 C ATOM 288 CG LYS A 20 10.069 -8.678 -0.732 1.00 0.00 C ATOM 289 CD LYS A 20 9.773 -7.664 0.328 1.00 0.00 C ATOM 290 CE LYS A 20 10.066 -8.214 1.658 1.00 0.00 C ATOM 291 NZ LYS A 20 10.051 -7.155 2.654 1.00 0.00 N ATOM 0 H LYS A 20 12.184 -7.241 -3.711 1.00 0.00 H new ATOM 0 HA LYS A 20 11.382 -6.179 -1.260 1.00 0.00 H new ATOM 0 HB2 LYS A 20 9.843 -7.471 -2.468 1.00 0.00 H new ATOM 0 HB3 LYS A 20 10.959 -8.808 -2.659 1.00 0.00 H new ATOM 0 HG2 LYS A 20 9.157 -9.217 -0.987 1.00 0.00 H new ATOM 0 HG3 LYS A 20 10.777 -9.412 -0.348 1.00 0.00 H new ATOM 0 HD2 LYS A 20 10.369 -6.767 0.159 1.00 0.00 H new ATOM 0 HD3 LYS A 20 8.726 -7.366 0.273 1.00 0.00 H new ATOM 0 HE2 LYS A 20 9.329 -8.975 1.915 1.00 0.00 H new ATOM 0 HE3 LYS A 20 11.040 -8.703 1.651 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 10.175 -7.567 3.601 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 10.825 -6.487 2.463 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 9.142 -6.652 2.612 1.00 0.00 H new ATOM 305 N GLN A 21 13.685 -8.450 -1.097 1.00 0.00 N ATOM 306 CA GLN A 21 14.674 -8.972 -0.209 1.00 0.00 C ATOM 307 C GLN A 21 15.631 -7.865 0.231 1.00 0.00 C ATOM 308 O GLN A 21 16.134 -7.857 1.359 1.00 0.00 O ATOM 309 CB GLN A 21 15.389 -10.156 -0.819 1.00 0.00 C ATOM 310 CG GLN A 21 14.455 -11.317 -1.154 1.00 0.00 C ATOM 311 CD GLN A 21 13.599 -11.748 0.018 1.00 0.00 C ATOM 312 OE1 GLN A 21 12.376 -11.293 0.056 1.00 0.00 O flip ATOM 313 NE2 GLN A 21 14.013 -12.554 0.832 1.00 0.00 N flip ATOM 0 H GLN A 21 13.736 -8.799 -2.054 1.00 0.00 H new ATOM 0 HA GLN A 21 14.179 -9.345 0.688 1.00 0.00 H new ATOM 0 HB2 GLN A 21 15.899 -9.835 -1.727 1.00 0.00 H new ATOM 0 HB3 GLN A 21 16.157 -10.504 -0.128 1.00 0.00 H new ATOM 0 HG2 GLN A 21 13.808 -11.027 -1.982 1.00 0.00 H new ATOM 0 HG3 GLN A 21 15.048 -12.166 -1.495 1.00 0.00 H new ATOM 0 HE21 GLN A 21 14.974 -12.889 0.774 1.00 0.00 H new ATOM 0 HE22 GLN A 21 13.398 -12.893 1.572 1.00 0.00 H new ATOM 322 N PHE A 22 15.844 -6.923 -0.646 1.00 0.00 N ATOM 323 CA PHE A 22 16.633 -5.756 -0.340 1.00 0.00 C ATOM 324 C PHE A 22 15.949 -4.794 0.696 1.00 0.00 C ATOM 325 O PHE A 22 16.637 -4.226 1.545 1.00 0.00 O ATOM 326 CB PHE A 22 17.174 -5.100 -1.634 1.00 0.00 C ATOM 327 CG PHE A 22 17.048 -3.607 -1.753 1.00 0.00 C ATOM 328 CD1 PHE A 22 18.036 -2.755 -1.287 1.00 0.00 C ATOM 329 CD2 PHE A 22 15.941 -3.064 -2.373 1.00 0.00 C ATOM 330 CE1 PHE A 22 17.904 -1.390 -1.445 1.00 0.00 C ATOM 331 CE2 PHE A 22 15.803 -1.719 -2.526 1.00 0.00 C ATOM 332 CZ PHE A 22 16.778 -0.879 -2.069 1.00 0.00 C ATOM 0 H PHE A 22 15.475 -6.941 -1.597 1.00 0.00 H new ATOM 0 HA PHE A 22 17.522 -6.074 0.205 1.00 0.00 H new ATOM 0 HB2 PHE A 22 18.229 -5.358 -1.728 1.00 0.00 H new ATOM 0 HB3 PHE A 22 16.659 -5.551 -2.482 1.00 0.00 H new ATOM 0 HD1 PHE A 22 18.911 -3.159 -0.799 1.00 0.00 H new ATOM 0 HD2 PHE A 22 15.168 -3.720 -2.745 1.00 0.00 H new ATOM 0 HE1 PHE A 22 18.674 -0.724 -1.084 1.00 0.00 H new ATOM 0 HE2 PHE A 22 14.924 -1.317 -3.008 1.00 0.00 H new ATOM 0 HZ PHE A 22 16.671 0.188 -2.195 1.00 0.00 H new ATOM 342 N LEU A 23 14.594 -4.643 0.651 1.00 0.00 N ATOM 343 CA LEU A 23 13.886 -3.840 1.685 1.00 0.00 C ATOM 344 C LEU A 23 14.113 -4.450 3.034 1.00 0.00 C ATOM 345 O LEU A 23 14.202 -3.771 4.018 1.00 0.00 O ATOM 346 CB LEU A 23 12.351 -3.750 1.493 1.00 0.00 C ATOM 347 CG LEU A 23 11.779 -2.919 0.342 1.00 0.00 C ATOM 348 CD1 LEU A 23 12.651 -1.731 -0.040 1.00 0.00 C ATOM 349 CD2 LEU A 23 11.394 -3.763 -0.832 1.00 0.00 C ATOM 0 H LEU A 23 13.991 -5.051 -0.063 1.00 0.00 H new ATOM 0 HA LEU A 23 14.297 -2.835 1.592 1.00 0.00 H new ATOM 0 HB2 LEU A 23 11.977 -4.767 1.378 1.00 0.00 H new ATOM 0 HB3 LEU A 23 11.929 -3.358 2.419 1.00 0.00 H new ATOM 0 HG LEU A 23 10.856 -2.481 0.722 1.00 0.00 H new ATOM 0 HD11 LEU A 23 12.185 -1.187 -0.862 1.00 0.00 H new ATOM 0 HD12 LEU A 23 12.759 -1.068 0.819 1.00 0.00 H new ATOM 0 HD13 LEU A 23 13.634 -2.086 -0.351 1.00 0.00 H new ATOM 0 HD21 LEU A 23 10.994 -3.127 -1.622 1.00 0.00 H new ATOM 0 HD22 LEU A 23 12.271 -4.293 -1.203 1.00 0.00 H new ATOM 0 HD23 LEU A 23 10.636 -4.485 -0.528 1.00 0.00 H new ATOM 361 N LEU A 24 14.204 -5.742 3.049 1.00 0.00 N ATOM 362 CA LEU A 24 14.452 -6.487 4.257 1.00 0.00 C ATOM 363 C LEU A 24 15.844 -6.206 4.799 1.00 0.00 C ATOM 364 O LEU A 24 16.032 -6.041 6.006 1.00 0.00 O ATOM 365 CB LEU A 24 14.298 -7.927 3.943 1.00 0.00 C ATOM 366 CG LEU A 24 12.931 -8.393 3.651 1.00 0.00 C ATOM 367 CD1 LEU A 24 13.034 -9.773 3.129 1.00 0.00 C ATOM 368 CD2 LEU A 24 12.073 -8.351 4.899 1.00 0.00 C ATOM 0 H LEU A 24 14.108 -6.323 2.216 1.00 0.00 H new ATOM 0 HA LEU A 24 13.742 -6.187 5.027 1.00 0.00 H new ATOM 0 HB2 LEU A 24 14.928 -8.158 3.084 1.00 0.00 H new ATOM 0 HB3 LEU A 24 14.682 -8.503 4.785 1.00 0.00 H new ATOM 0 HG LEU A 24 12.456 -7.745 2.915 1.00 0.00 H new ATOM 0 HD11 LEU A 24 12.037 -10.151 2.901 1.00 0.00 H new ATOM 0 HD12 LEU A 24 13.639 -9.775 2.222 1.00 0.00 H new ATOM 0 HD13 LEU A 24 13.502 -10.411 3.878 1.00 0.00 H new ATOM 0 HD21 LEU A 24 11.068 -8.699 4.661 1.00 0.00 H new ATOM 0 HD22 LEU A 24 12.509 -8.995 5.662 1.00 0.00 H new ATOM 0 HD23 LEU A 24 12.024 -7.328 5.273 1.00 0.00 H new ATOM 380 N TYR A 25 16.812 -6.151 3.907 1.00 0.00 N ATOM 381 CA TYR A 25 18.173 -5.812 4.278 1.00 0.00 C ATOM 382 C TYR A 25 18.223 -4.391 4.843 1.00 0.00 C ATOM 383 O TYR A 25 18.887 -4.120 5.840 1.00 0.00 O ATOM 384 CB TYR A 25 19.109 -5.967 3.067 1.00 0.00 C ATOM 385 CG TYR A 25 20.508 -5.432 3.282 1.00 0.00 C ATOM 386 CD1 TYR A 25 21.366 -6.003 4.211 1.00 0.00 C ATOM 387 CD2 TYR A 25 20.960 -4.337 2.560 1.00 0.00 C ATOM 388 CE1 TYR A 25 22.633 -5.500 4.411 1.00 0.00 C ATOM 389 CE2 TYR A 25 22.221 -3.826 2.754 1.00 0.00 C ATOM 390 CZ TYR A 25 23.059 -4.409 3.680 1.00 0.00 C ATOM 391 OH TYR A 25 24.326 -3.897 3.880 1.00 0.00 O ATOM 0 H TYR A 25 16.681 -6.338 2.913 1.00 0.00 H new ATOM 0 HA TYR A 25 18.515 -6.497 5.054 1.00 0.00 H new ATOM 0 HB2 TYR A 25 19.174 -7.024 2.807 1.00 0.00 H new ATOM 0 HB3 TYR A 25 18.665 -5.455 2.213 1.00 0.00 H new ATOM 0 HD1 TYR A 25 21.035 -6.855 4.786 1.00 0.00 H new ATOM 0 HD2 TYR A 25 20.308 -3.877 1.832 1.00 0.00 H new ATOM 0 HE1 TYR A 25 23.290 -5.957 5.136 1.00 0.00 H new ATOM 0 HE2 TYR A 25 22.554 -2.972 2.183 1.00 0.00 H new ATOM 0 HH TYR A 25 24.467 -3.131 3.285 1.00 0.00 H new ATOM 401 N LEU A 26 17.488 -3.501 4.231 1.00 0.00 N ATOM 402 CA LEU A 26 17.437 -2.141 4.702 1.00 0.00 C ATOM 403 C LEU A 26 16.670 -2.026 6.009 1.00 0.00 C ATOM 404 O LEU A 26 16.977 -1.187 6.826 1.00 0.00 O ATOM 405 CB LEU A 26 16.926 -1.170 3.636 1.00 0.00 C ATOM 406 CG LEU A 26 17.955 -0.153 3.129 1.00 0.00 C ATOM 407 CD1 LEU A 26 18.437 0.731 4.276 1.00 0.00 C ATOM 408 CD2 LEU A 26 19.129 -0.862 2.466 1.00 0.00 C ATOM 0 H LEU A 26 16.917 -3.692 3.407 1.00 0.00 H new ATOM 0 HA LEU A 26 18.464 -1.842 4.912 1.00 0.00 H new ATOM 0 HB2 LEU A 26 16.562 -1.748 2.787 1.00 0.00 H new ATOM 0 HB3 LEU A 26 16.072 -0.627 4.042 1.00 0.00 H new ATOM 0 HG LEU A 26 17.476 0.481 2.383 1.00 0.00 H new ATOM 0 HD11 LEU A 26 19.167 1.448 3.901 1.00 0.00 H new ATOM 0 HD12 LEU A 26 17.589 1.266 4.704 1.00 0.00 H new ATOM 0 HD13 LEU A 26 18.899 0.111 5.044 1.00 0.00 H new ATOM 0 HD21 LEU A 26 19.848 -0.123 2.113 1.00 0.00 H new ATOM 0 HD22 LEU A 26 19.611 -1.521 3.188 1.00 0.00 H new ATOM 0 HD23 LEU A 26 18.769 -1.450 1.622 1.00 0.00 H new ATOM 420 N ASP A 27 15.670 -2.859 6.179 1.00 0.00 N ATOM 421 CA ASP A 27 14.877 -2.920 7.413 1.00 0.00 C ATOM 422 C ASP A 27 15.749 -3.301 8.608 1.00 0.00 C ATOM 423 O ASP A 27 15.622 -2.718 9.692 1.00 0.00 O ATOM 424 CB ASP A 27 13.728 -3.938 7.260 1.00 0.00 C ATOM 425 CG ASP A 27 12.936 -4.155 8.539 1.00 0.00 C ATOM 426 OD1 ASP A 27 12.026 -3.375 8.842 1.00 0.00 O ATOM 427 OD2 ASP A 27 13.213 -5.124 9.279 1.00 0.00 O ATOM 0 H ASP A 27 15.371 -3.525 5.466 1.00 0.00 H new ATOM 0 HA ASP A 27 14.459 -1.930 7.593 1.00 0.00 H new ATOM 0 HB2 ASP A 27 13.052 -3.595 6.477 1.00 0.00 H new ATOM 0 HB3 ASP A 27 14.140 -4.892 6.931 1.00 0.00 H new ATOM 432 N GLU A 28 16.619 -4.286 8.405 1.00 0.00 N ATOM 433 CA GLU A 28 17.510 -4.756 9.457 1.00 0.00 C ATOM 434 C GLU A 28 18.711 -3.816 9.698 1.00 0.00 C ATOM 435 O GLU A 28 19.205 -3.701 10.827 1.00 0.00 O ATOM 436 CB GLU A 28 17.901 -6.243 9.243 1.00 0.00 C ATOM 437 CG GLU A 28 18.717 -6.582 7.994 1.00 0.00 C ATOM 438 CD GLU A 28 20.212 -6.515 8.218 1.00 0.00 C ATOM 439 OE1 GLU A 28 20.779 -7.494 8.763 1.00 0.00 O ATOM 440 OE2 GLU A 28 20.842 -5.512 7.876 1.00 0.00 O ATOM 0 H GLU A 28 16.725 -4.775 7.516 1.00 0.00 H new ATOM 0 HA GLU A 28 16.954 -4.721 10.394 1.00 0.00 H new ATOM 0 HB2 GLU A 28 18.467 -6.572 10.115 1.00 0.00 H new ATOM 0 HB3 GLU A 28 16.984 -6.832 9.217 1.00 0.00 H new ATOM 0 HG2 GLU A 28 18.452 -7.584 7.656 1.00 0.00 H new ATOM 0 HG3 GLU A 28 18.446 -5.894 7.194 1.00 0.00 H new ATOM 447 N SER A 29 19.185 -3.170 8.645 1.00 0.00 N ATOM 448 CA SER A 29 20.272 -2.207 8.757 1.00 0.00 C ATOM 449 C SER A 29 19.725 -0.902 9.363 1.00 0.00 C ATOM 450 O SER A 29 20.276 -0.357 10.325 1.00 0.00 O ATOM 451 CB SER A 29 20.884 -1.954 7.354 1.00 0.00 C ATOM 452 OG SER A 29 21.991 -1.053 7.393 1.00 0.00 O ATOM 0 H SER A 29 18.832 -3.295 7.696 1.00 0.00 H new ATOM 0 HA SER A 29 21.056 -2.595 9.408 1.00 0.00 H new ATOM 0 HB2 SER A 29 21.207 -2.903 6.926 1.00 0.00 H new ATOM 0 HB3 SER A 29 20.116 -1.552 6.694 1.00 0.00 H new ATOM 0 HG SER A 29 22.342 -0.927 6.487 1.00 0.00 H new ATOM 458 N ASN A 30 18.607 -0.471 8.809 1.00 0.00 N ATOM 459 CA ASN A 30 17.867 0.737 9.167 1.00 0.00 C ATOM 460 C ASN A 30 18.739 1.992 9.120 1.00 0.00 C ATOM 461 O ASN A 30 19.300 2.440 10.130 1.00 0.00 O ATOM 462 CB ASN A 30 17.146 0.619 10.503 1.00 0.00 C ATOM 463 CG ASN A 30 16.029 1.633 10.626 1.00 0.00 C ATOM 464 OD1 ASN A 30 16.045 2.690 9.985 1.00 0.00 O ATOM 465 ND2 ASN A 30 15.071 1.338 11.450 1.00 0.00 N ATOM 0 H ASN A 30 18.159 -0.983 8.049 1.00 0.00 H new ATOM 0 HA ASN A 30 17.099 0.843 8.401 1.00 0.00 H new ATOM 0 HB2 ASN A 30 16.739 -0.386 10.609 1.00 0.00 H new ATOM 0 HB3 ASN A 30 17.859 0.762 11.315 1.00 0.00 H new ATOM 0 HD21 ASN A 30 14.297 1.988 11.586 1.00 0.00 H new ATOM 0 HD22 ASN A 30 15.092 0.456 11.962 1.00 0.00 H new ATOM 472 N ALA A 31 18.869 2.521 7.932 1.00 0.00 N ATOM 473 CA ALA A 31 19.678 3.704 7.669 1.00 0.00 C ATOM 474 C ALA A 31 19.093 5.000 8.250 1.00 0.00 C ATOM 475 O ALA A 31 19.827 5.943 8.527 1.00 0.00 O ATOM 476 CB ALA A 31 19.907 3.845 6.177 1.00 0.00 C ATOM 0 H ALA A 31 18.413 2.144 7.101 1.00 0.00 H new ATOM 0 HA ALA A 31 20.627 3.553 8.183 1.00 0.00 H new ATOM 0 HB1 ALA A 31 20.512 4.731 5.984 1.00 0.00 H new ATOM 0 HB2 ALA A 31 20.426 2.962 5.804 1.00 0.00 H new ATOM 0 HB3 ALA A 31 18.947 3.944 5.669 1.00 0.00 H new ATOM 482 N LEU A 32 17.781 5.054 8.427 1.00 0.00 N ATOM 483 CA LEU A 32 17.141 6.305 8.848 1.00 0.00 C ATOM 484 C LEU A 32 16.774 6.302 10.324 1.00 0.00 C ATOM 485 O LEU A 32 16.538 7.355 10.914 1.00 0.00 O ATOM 486 CB LEU A 32 15.865 6.596 8.030 1.00 0.00 C ATOM 487 CG LEU A 32 15.985 6.751 6.502 1.00 0.00 C ATOM 488 CD1 LEU A 32 17.095 7.705 6.101 1.00 0.00 C ATOM 489 CD2 LEU A 32 16.091 5.417 5.777 1.00 0.00 C ATOM 0 H LEU A 32 17.145 4.268 8.291 1.00 0.00 H new ATOM 0 HA LEU A 32 17.881 7.085 8.668 1.00 0.00 H new ATOM 0 HB2 LEU A 32 15.156 5.791 8.226 1.00 0.00 H new ATOM 0 HB3 LEU A 32 15.423 7.512 8.421 1.00 0.00 H new ATOM 0 HG LEU A 32 15.048 7.203 6.176 1.00 0.00 H new ATOM 0 HD11 LEU A 32 17.137 7.778 5.014 1.00 0.00 H new ATOM 0 HD12 LEU A 32 16.898 8.690 6.524 1.00 0.00 H new ATOM 0 HD13 LEU A 32 18.048 7.333 6.476 1.00 0.00 H new ATOM 0 HD21 LEU A 32 16.173 5.591 4.704 1.00 0.00 H new ATOM 0 HD22 LEU A 32 16.974 4.882 6.126 1.00 0.00 H new ATOM 0 HD23 LEU A 32 15.202 4.821 5.981 1.00 0.00 H new ATOM 501 N GLY A 33 16.711 5.140 10.908 1.00 0.00 N ATOM 502 CA GLY A 33 16.315 5.017 12.303 1.00 0.00 C ATOM 503 C GLY A 33 14.820 4.750 12.420 1.00 0.00 C ATOM 504 O GLY A 33 14.270 4.653 13.511 1.00 0.00 O ATOM 0 H GLY A 33 16.927 4.255 10.448 1.00 0.00 H new ATOM 0 HA2 GLY A 33 16.872 4.206 12.773 1.00 0.00 H new ATOM 0 HA3 GLY A 33 16.569 5.931 12.840 1.00 0.00 H new ATOM 508 N LYS A 34 14.185 4.591 11.281 1.00 0.00 N ATOM 509 CA LYS A 34 12.761 4.363 11.188 1.00 0.00 C ATOM 510 C LYS A 34 12.509 3.282 10.159 1.00 0.00 C ATOM 511 O LYS A 34 13.239 3.179 9.167 1.00 0.00 O ATOM 512 CB LYS A 34 12.024 5.650 10.781 1.00 0.00 C ATOM 513 CG LYS A 34 12.530 6.269 9.477 1.00 0.00 C ATOM 514 CD LYS A 34 11.692 7.455 9.021 1.00 0.00 C ATOM 515 CE LYS A 34 11.664 8.570 10.045 1.00 0.00 C ATOM 516 NZ LYS A 34 10.981 9.781 9.547 1.00 0.00 N ATOM 0 H LYS A 34 14.653 4.617 10.375 1.00 0.00 H new ATOM 0 HA LYS A 34 12.385 4.052 12.163 1.00 0.00 H new ATOM 0 HB2 LYS A 34 10.961 5.431 10.679 1.00 0.00 H new ATOM 0 HB3 LYS A 34 12.124 6.383 11.582 1.00 0.00 H new ATOM 0 HG2 LYS A 34 13.563 6.590 9.610 1.00 0.00 H new ATOM 0 HG3 LYS A 34 12.530 5.509 8.696 1.00 0.00 H new ATOM 0 HD2 LYS A 34 12.091 7.838 8.082 1.00 0.00 H new ATOM 0 HD3 LYS A 34 10.673 7.122 8.823 1.00 0.00 H new ATOM 0 HE2 LYS A 34 11.161 8.218 10.946 1.00 0.00 H new ATOM 0 HE3 LYS A 34 12.685 8.824 10.328 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 10.990 10.513 10.286 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 11.474 10.135 8.703 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 9.998 9.549 9.301 1.00 0.00 H new ATOM 530 N LYS A 35 11.516 2.476 10.383 1.00 0.00 N ATOM 531 CA LYS A 35 11.196 1.439 9.464 1.00 0.00 C ATOM 532 C LYS A 35 10.265 1.950 8.420 1.00 0.00 C ATOM 533 O LYS A 35 9.130 2.333 8.688 1.00 0.00 O ATOM 534 CB LYS A 35 10.655 0.179 10.141 1.00 0.00 C ATOM 535 CG LYS A 35 11.678 -0.568 10.988 1.00 0.00 C ATOM 536 CD LYS A 35 11.077 -1.845 11.551 1.00 0.00 C ATOM 537 CE LYS A 35 12.092 -2.675 12.327 1.00 0.00 C ATOM 538 NZ LYS A 35 13.242 -3.117 11.489 1.00 0.00 N ATOM 0 H LYS A 35 10.912 2.522 11.203 1.00 0.00 H new ATOM 0 HA LYS A 35 12.126 1.133 8.985 1.00 0.00 H new ATOM 0 HB2 LYS A 35 9.810 0.454 10.772 1.00 0.00 H new ATOM 0 HB3 LYS A 35 10.274 -0.496 9.374 1.00 0.00 H new ATOM 0 HG2 LYS A 35 12.553 -0.807 10.384 1.00 0.00 H new ATOM 0 HG3 LYS A 35 12.018 0.070 11.803 1.00 0.00 H new ATOM 0 HD2 LYS A 35 10.243 -1.592 12.205 1.00 0.00 H new ATOM 0 HD3 LYS A 35 10.672 -2.443 10.735 1.00 0.00 H new ATOM 0 HE2 LYS A 35 12.465 -2.090 13.168 1.00 0.00 H new ATOM 0 HE3 LYS A 35 11.595 -3.551 12.744 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 13.223 -4.152 11.392 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 13.174 -2.680 10.548 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 14.133 -2.828 11.941 1.00 0.00 H new ATOM 552 N PHE A 36 10.771 1.942 7.241 1.00 0.00 N ATOM 553 CA PHE A 36 10.076 2.402 6.068 1.00 0.00 C ATOM 554 C PHE A 36 9.035 1.384 5.656 1.00 0.00 C ATOM 555 O PHE A 36 7.968 1.727 5.215 1.00 0.00 O ATOM 556 CB PHE A 36 11.103 2.619 4.926 1.00 0.00 C ATOM 557 CG PHE A 36 11.983 1.410 4.641 1.00 0.00 C ATOM 558 CD1 PHE A 36 13.156 1.221 5.350 1.00 0.00 C ATOM 559 CD2 PHE A 36 11.624 0.452 3.687 1.00 0.00 C ATOM 560 CE1 PHE A 36 13.942 0.123 5.127 1.00 0.00 C ATOM 561 CE2 PHE A 36 12.423 -0.650 3.467 1.00 0.00 C ATOM 562 CZ PHE A 36 13.573 -0.808 4.189 1.00 0.00 C ATOM 0 H PHE A 36 11.714 1.605 7.046 1.00 0.00 H new ATOM 0 HA PHE A 36 9.571 3.344 6.282 1.00 0.00 H new ATOM 0 HB2 PHE A 36 10.566 2.887 4.016 1.00 0.00 H new ATOM 0 HB3 PHE A 36 11.740 3.466 5.181 1.00 0.00 H new ATOM 0 HD1 PHE A 36 13.455 1.949 6.089 1.00 0.00 H new ATOM 0 HD2 PHE A 36 10.714 0.576 3.119 1.00 0.00 H new ATOM 0 HE1 PHE A 36 14.854 -0.011 5.690 1.00 0.00 H new ATOM 0 HE2 PHE A 36 12.142 -1.385 2.728 1.00 0.00 H new ATOM 0 HZ PHE A 36 14.197 -1.673 4.020 1.00 0.00 H new ATOM 572 N ILE A 37 9.346 0.143 5.847 1.00 0.00 N ATOM 573 CA ILE A 37 8.454 -0.900 5.489 1.00 0.00 C ATOM 574 C ILE A 37 7.470 -1.122 6.636 1.00 0.00 C ATOM 575 O ILE A 37 7.847 -1.579 7.742 1.00 0.00 O ATOM 576 CB ILE A 37 9.251 -2.198 5.009 1.00 0.00 C ATOM 577 CG1 ILE A 37 8.374 -3.430 4.651 1.00 0.00 C ATOM 578 CG2 ILE A 37 10.372 -2.585 5.946 1.00 0.00 C ATOM 579 CD1 ILE A 37 7.707 -4.134 5.815 1.00 0.00 C ATOM 0 H ILE A 37 10.226 -0.171 6.256 1.00 0.00 H new ATOM 0 HA ILE A 37 7.856 -0.625 4.620 1.00 0.00 H new ATOM 0 HB ILE A 37 9.691 -1.875 4.065 1.00 0.00 H new ATOM 0 HG12 ILE A 37 7.599 -3.109 3.955 1.00 0.00 H new ATOM 0 HG13 ILE A 37 8.997 -4.153 4.124 1.00 0.00 H new ATOM 0 HG21 ILE A 37 10.875 -3.474 5.565 1.00 0.00 H new ATOM 0 HG22 ILE A 37 11.087 -1.765 6.016 1.00 0.00 H new ATOM 0 HG23 ILE A 37 9.964 -2.795 6.935 1.00 0.00 H new ATOM 0 HD11 ILE A 37 7.123 -4.976 5.444 1.00 0.00 H new ATOM 0 HD12 ILE A 37 8.468 -4.497 6.506 1.00 0.00 H new ATOM 0 HD13 ILE A 37 7.049 -3.436 6.334 1.00 0.00 H new ATOM 591 N ILE A 38 6.232 -0.725 6.395 1.00 0.00 N ATOM 592 CA ILE A 38 5.171 -0.880 7.365 1.00 0.00 C ATOM 593 C ILE A 38 4.645 -2.296 7.319 1.00 0.00 C ATOM 594 O ILE A 38 4.650 -3.001 8.330 1.00 0.00 O ATOM 595 CB ILE A 38 3.978 0.129 7.144 1.00 0.00 C ATOM 596 CG1 ILE A 38 4.312 1.567 7.591 1.00 0.00 C ATOM 597 CG2 ILE A 38 2.695 -0.350 7.813 1.00 0.00 C ATOM 598 CD1 ILE A 38 5.282 2.313 6.711 1.00 0.00 C ATOM 0 H ILE A 38 5.938 -0.287 5.522 1.00 0.00 H new ATOM 0 HA ILE A 38 5.601 -0.659 8.342 1.00 0.00 H new ATOM 0 HB ILE A 38 3.816 0.156 6.066 1.00 0.00 H new ATOM 0 HG12 ILE A 38 3.384 2.137 7.644 1.00 0.00 H new ATOM 0 HG13 ILE A 38 4.720 1.529 8.601 1.00 0.00 H new ATOM 0 HG21 ILE A 38 1.900 0.374 7.636 1.00 0.00 H new ATOM 0 HG22 ILE A 38 2.406 -1.315 7.397 1.00 0.00 H new ATOM 0 HG23 ILE A 38 2.860 -0.452 8.886 1.00 0.00 H new ATOM 0 HD11 ILE A 38 5.446 3.312 7.116 1.00 0.00 H new ATOM 0 HD12 ILE A 38 6.229 1.775 6.676 1.00 0.00 H new ATOM 0 HD13 ILE A 38 4.873 2.392 5.704 1.00 0.00 H new ATOM 610 N GLN A 39 4.252 -2.735 6.147 1.00 0.00 N ATOM 611 CA GLN A 39 3.720 -4.047 6.021 1.00 0.00 C ATOM 612 C GLN A 39 4.188 -4.715 4.773 1.00 0.00 C ATOM 613 O GLN A 39 4.346 -4.069 3.719 1.00 0.00 O ATOM 614 CB GLN A 39 2.187 -4.108 6.188 1.00 0.00 C ATOM 615 CG GLN A 39 1.379 -3.314 5.183 1.00 0.00 C ATOM 616 CD GLN A 39 -0.113 -3.483 5.403 1.00 0.00 C ATOM 617 OE1 GLN A 39 -0.735 -2.714 6.127 1.00 0.00 O ATOM 618 NE2 GLN A 39 -0.681 -4.522 4.834 1.00 0.00 N ATOM 0 H GLN A 39 4.295 -2.199 5.280 1.00 0.00 H new ATOM 0 HA GLN A 39 4.120 -4.617 6.860 1.00 0.00 H new ATOM 0 HB2 GLN A 39 1.876 -5.151 6.132 1.00 0.00 H new ATOM 0 HB3 GLN A 39 1.936 -3.754 7.188 1.00 0.00 H new ATOM 0 HG2 GLN A 39 1.641 -2.259 5.258 1.00 0.00 H new ATOM 0 HG3 GLN A 39 1.637 -3.635 4.174 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -0.132 -5.140 4.237 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -1.671 -4.710 4.989 1.00 0.00 H new ATOM 627 N ASP A 40 4.467 -5.981 4.906 1.00 0.00 N ATOM 628 CA ASP A 40 4.906 -6.786 3.804 1.00 0.00 C ATOM 629 C ASP A 40 3.716 -7.376 3.147 1.00 0.00 C ATOM 630 O ASP A 40 3.062 -8.275 3.690 1.00 0.00 O ATOM 631 CB ASP A 40 5.855 -7.904 4.235 1.00 0.00 C ATOM 632 CG ASP A 40 7.170 -7.395 4.742 1.00 0.00 C ATOM 633 OD1 ASP A 40 7.920 -6.807 3.954 1.00 0.00 O ATOM 634 OD2 ASP A 40 7.491 -7.598 5.944 1.00 0.00 O ATOM 0 H ASP A 40 4.395 -6.486 5.789 1.00 0.00 H new ATOM 0 HA ASP A 40 5.458 -6.144 3.118 1.00 0.00 H new ATOM 0 HB2 ASP A 40 5.377 -8.498 5.014 1.00 0.00 H new ATOM 0 HB3 ASP A 40 6.031 -8.569 3.390 1.00 0.00 H new ATOM 639 N ILE A 41 3.415 -6.879 2.017 1.00 0.00 N ATOM 640 CA ILE A 41 2.280 -7.307 1.284 1.00 0.00 C ATOM 641 C ILE A 41 2.666 -8.405 0.270 1.00 0.00 C ATOM 642 O ILE A 41 3.668 -8.309 -0.421 1.00 0.00 O ATOM 643 CB ILE A 41 1.470 -6.099 0.713 1.00 0.00 C ATOM 644 CG1 ILE A 41 2.383 -4.881 0.545 1.00 0.00 C ATOM 645 CG2 ILE A 41 0.317 -5.734 1.645 1.00 0.00 C ATOM 646 CD1 ILE A 41 1.683 -3.631 0.088 1.00 0.00 C ATOM 0 H ILE A 41 3.957 -6.147 1.558 1.00 0.00 H new ATOM 0 HA ILE A 41 1.571 -7.791 1.956 1.00 0.00 H new ATOM 0 HB ILE A 41 1.068 -6.392 -0.257 1.00 0.00 H new ATOM 0 HG12 ILE A 41 2.875 -4.679 1.496 1.00 0.00 H new ATOM 0 HG13 ILE A 41 3.166 -5.126 -0.173 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -0.234 -4.891 1.229 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -0.351 -6.589 1.749 1.00 0.00 H new ATOM 0 HG23 ILE A 41 0.712 -5.462 2.624 1.00 0.00 H new ATOM 0 HD11 ILE A 41 2.407 -2.821 -0.003 1.00 0.00 H new ATOM 0 HD12 ILE A 41 1.214 -3.810 -0.880 1.00 0.00 H new ATOM 0 HD13 ILE A 41 0.920 -3.355 0.815 1.00 0.00 H new ATOM 658 N ASP A 42 1.812 -9.402 0.203 1.00 0.00 N ATOM 659 CA ASP A 42 2.034 -10.759 -0.377 1.00 0.00 C ATOM 660 C ASP A 42 3.139 -10.922 -1.365 1.00 0.00 C ATOM 661 O ASP A 42 2.992 -10.650 -2.570 1.00 0.00 O ATOM 662 CB ASP A 42 0.778 -11.389 -0.896 1.00 0.00 C ATOM 663 CG ASP A 42 0.976 -12.816 -1.397 1.00 0.00 C ATOM 664 OD1 ASP A 42 1.049 -13.741 -0.572 1.00 0.00 O ATOM 665 OD2 ASP A 42 1.001 -13.042 -2.627 1.00 0.00 O ATOM 0 H ASP A 42 0.866 -9.304 0.573 1.00 0.00 H new ATOM 0 HA ASP A 42 2.384 -11.298 0.504 1.00 0.00 H new ATOM 0 HB2 ASP A 42 0.028 -11.391 -0.105 1.00 0.00 H new ATOM 0 HB3 ASP A 42 0.383 -10.779 -1.708 1.00 0.00 H new ATOM 670 N ASP A 43 4.253 -11.276 -0.792 1.00 0.00 N ATOM 671 CA ASP A 43 5.498 -11.756 -1.436 1.00 0.00 C ATOM 672 C ASP A 43 6.228 -10.724 -2.289 1.00 0.00 C ATOM 673 O ASP A 43 7.457 -10.640 -2.271 1.00 0.00 O ATOM 674 CB ASP A 43 5.215 -13.042 -2.246 1.00 0.00 C ATOM 675 CG ASP A 43 6.381 -13.516 -3.094 1.00 0.00 C ATOM 676 OD1 ASP A 43 7.223 -14.321 -2.608 1.00 0.00 O ATOM 677 OD2 ASP A 43 6.458 -13.123 -4.279 1.00 0.00 O ATOM 0 H ASP A 43 4.349 -11.243 0.223 1.00 0.00 H new ATOM 0 HA ASP A 43 6.185 -11.969 -0.617 1.00 0.00 H new ATOM 0 HB2 ASP A 43 4.936 -13.838 -1.556 1.00 0.00 H new ATOM 0 HB3 ASP A 43 4.357 -12.867 -2.895 1.00 0.00 H new ATOM 682 N THR A 44 5.495 -9.937 -2.972 1.00 0.00 N ATOM 683 CA THR A 44 6.077 -9.060 -3.958 1.00 0.00 C ATOM 684 C THR A 44 5.849 -7.582 -3.626 1.00 0.00 C ATOM 685 O THR A 44 6.446 -6.701 -4.240 1.00 0.00 O ATOM 686 CB THR A 44 5.493 -9.371 -5.356 1.00 0.00 C ATOM 687 OG1 THR A 44 5.407 -10.805 -5.521 1.00 0.00 O ATOM 688 CG2 THR A 44 6.402 -8.832 -6.457 1.00 0.00 C ATOM 0 H THR A 44 4.482 -9.867 -2.880 1.00 0.00 H new ATOM 0 HA THR A 44 7.152 -9.240 -3.954 1.00 0.00 H new ATOM 0 HB THR A 44 4.512 -8.901 -5.429 1.00 0.00 H new ATOM 0 HG1 THR A 44 6.065 -11.241 -4.940 1.00 0.00 H new ATOM 0 HG21 THR A 44 5.970 -9.063 -7.431 1.00 0.00 H new ATOM 0 HG22 THR A 44 6.501 -7.752 -6.351 1.00 0.00 H new ATOM 0 HG23 THR A 44 7.385 -9.296 -6.377 1.00 0.00 H new ATOM 696 N HIS A 45 5.008 -7.281 -2.665 1.00 0.00 N ATOM 697 CA HIS A 45 4.761 -5.893 -2.399 1.00 0.00 C ATOM 698 C HIS A 45 5.308 -5.460 -1.057 1.00 0.00 C ATOM 699 O HIS A 45 5.451 -6.246 -0.133 1.00 0.00 O ATOM 700 CB HIS A 45 3.275 -5.534 -2.515 1.00 0.00 C ATOM 701 CG HIS A 45 2.718 -5.513 -3.890 1.00 0.00 C ATOM 702 ND1 HIS A 45 2.708 -4.384 -4.664 1.00 0.00 N ATOM 703 CD2 HIS A 45 2.126 -6.470 -4.619 1.00 0.00 C ATOM 704 CE1 HIS A 45 2.140 -4.646 -5.814 1.00 0.00 C ATOM 705 NE2 HIS A 45 1.775 -5.908 -5.812 1.00 0.00 N ATOM 0 H HIS A 45 4.505 -7.948 -2.080 1.00 0.00 H new ATOM 0 HA HIS A 45 5.298 -5.342 -3.171 1.00 0.00 H new ATOM 0 HB2 HIS A 45 2.702 -6.247 -1.923 1.00 0.00 H new ATOM 0 HB3 HIS A 45 3.122 -4.552 -2.067 1.00 0.00 H new ATOM 0 HD2 HIS A 45 1.958 -7.494 -4.318 1.00 0.00 H new ATOM 0 HE1 HIS A 45 1.996 -3.946 -6.624 1.00 0.00 H new ATOM 0 HE2 HIS A 45 1.305 -6.390 -6.578 1.00 0.00 H new ATOM 714 N VAL A 46 5.631 -4.218 -0.974 1.00 0.00 N ATOM 715 CA VAL A 46 6.035 -3.585 0.248 1.00 0.00 C ATOM 716 C VAL A 46 5.275 -2.294 0.362 1.00 0.00 C ATOM 717 O VAL A 46 4.954 -1.673 -0.663 1.00 0.00 O ATOM 718 CB VAL A 46 7.596 -3.360 0.320 1.00 0.00 C ATOM 719 CG1 VAL A 46 7.977 -2.198 1.240 1.00 0.00 C ATOM 720 CG2 VAL A 46 8.268 -4.627 0.829 1.00 0.00 C ATOM 0 H VAL A 46 5.624 -3.588 -1.776 1.00 0.00 H new ATOM 0 HA VAL A 46 5.802 -4.233 1.093 1.00 0.00 H new ATOM 0 HB VAL A 46 7.933 -3.116 -0.687 1.00 0.00 H new ATOM 0 HG11 VAL A 46 9.061 -2.086 1.254 1.00 0.00 H new ATOM 0 HG12 VAL A 46 7.522 -1.278 0.872 1.00 0.00 H new ATOM 0 HG13 VAL A 46 7.620 -2.401 2.250 1.00 0.00 H new ATOM 0 HG21 VAL A 46 9.346 -4.472 0.879 1.00 0.00 H new ATOM 0 HG22 VAL A 46 7.889 -4.866 1.823 1.00 0.00 H new ATOM 0 HG23 VAL A 46 8.051 -5.452 0.150 1.00 0.00 H new ATOM 730 N PHE A 47 4.888 -1.945 1.553 1.00 0.00 N ATOM 731 CA PHE A 47 4.231 -0.708 1.754 1.00 0.00 C ATOM 732 C PHE A 47 5.101 0.187 2.620 1.00 0.00 C ATOM 733 O PHE A 47 5.576 -0.234 3.692 1.00 0.00 O ATOM 734 CB PHE A 47 2.889 -0.909 2.430 1.00 0.00 C ATOM 735 CG PHE A 47 2.061 0.312 2.357 1.00 0.00 C ATOM 736 CD1 PHE A 47 1.475 0.666 1.159 1.00 0.00 C ATOM 737 CD2 PHE A 47 1.908 1.136 3.446 1.00 0.00 C ATOM 738 CE1 PHE A 47 0.735 1.807 1.051 1.00 0.00 C ATOM 739 CE2 PHE A 47 1.177 2.287 3.338 1.00 0.00 C ATOM 740 CZ PHE A 47 0.586 2.617 2.140 1.00 0.00 C ATOM 0 H PHE A 47 5.020 -2.506 2.394 1.00 0.00 H new ATOM 0 HA PHE A 47 4.062 -0.244 0.782 1.00 0.00 H new ATOM 0 HB2 PHE A 47 2.362 -1.737 1.956 1.00 0.00 H new ATOM 0 HB3 PHE A 47 3.043 -1.184 3.473 1.00 0.00 H new ATOM 0 HD1 PHE A 47 1.604 0.031 0.295 1.00 0.00 H new ATOM 0 HD2 PHE A 47 2.366 0.874 4.389 1.00 0.00 H new ATOM 0 HE1 PHE A 47 0.271 2.068 0.111 1.00 0.00 H new ATOM 0 HE2 PHE A 47 1.064 2.937 4.193 1.00 0.00 H new ATOM 0 HZ PHE A 47 0.001 3.521 2.061 1.00 0.00 H new ATOM 750 N VAL A 48 5.296 1.383 2.165 1.00 0.00 N ATOM 751 CA VAL A 48 6.053 2.400 2.854 1.00 0.00 C ATOM 752 C VAL A 48 5.253 3.690 2.727 1.00 0.00 C ATOM 753 O VAL A 48 4.420 3.778 1.867 1.00 0.00 O ATOM 754 CB VAL A 48 7.517 2.519 2.253 1.00 0.00 C ATOM 755 CG1 VAL A 48 7.509 2.605 0.744 1.00 0.00 C ATOM 756 CG2 VAL A 48 8.282 3.704 2.834 1.00 0.00 C ATOM 0 H VAL A 48 4.922 1.698 1.270 1.00 0.00 H new ATOM 0 HA VAL A 48 6.196 2.157 3.907 1.00 0.00 H new ATOM 0 HB VAL A 48 8.032 1.603 2.541 1.00 0.00 H new ATOM 0 HG11 VAL A 48 8.533 2.685 0.379 1.00 0.00 H new ATOM 0 HG12 VAL A 48 7.045 1.709 0.331 1.00 0.00 H new ATOM 0 HG13 VAL A 48 6.943 3.483 0.433 1.00 0.00 H new ATOM 0 HG21 VAL A 48 9.278 3.745 2.393 1.00 0.00 H new ATOM 0 HG22 VAL A 48 7.748 4.627 2.610 1.00 0.00 H new ATOM 0 HG23 VAL A 48 8.368 3.587 3.914 1.00 0.00 H new ATOM 766 N ILE A 49 5.428 4.646 3.588 1.00 0.00 N ATOM 767 CA ILE A 49 4.641 5.851 3.450 1.00 0.00 C ATOM 768 C ILE A 49 5.311 6.841 2.511 1.00 0.00 C ATOM 769 O ILE A 49 6.512 7.120 2.618 1.00 0.00 O ATOM 770 CB ILE A 49 4.220 6.485 4.801 1.00 0.00 C ATOM 771 CG1 ILE A 49 3.304 7.711 4.591 1.00 0.00 C ATOM 772 CG2 ILE A 49 5.419 6.836 5.659 1.00 0.00 C ATOM 773 CD1 ILE A 49 2.780 8.326 5.874 1.00 0.00 C ATOM 0 H ILE A 49 6.082 4.628 4.370 1.00 0.00 H new ATOM 0 HA ILE A 49 3.699 5.552 2.989 1.00 0.00 H new ATOM 0 HB ILE A 49 3.646 5.732 5.340 1.00 0.00 H new ATOM 0 HG12 ILE A 49 3.855 8.471 4.036 1.00 0.00 H new ATOM 0 HG13 ILE A 49 2.457 7.415 3.971 1.00 0.00 H new ATOM 0 HG21 ILE A 49 5.079 7.277 6.596 1.00 0.00 H new ATOM 0 HG22 ILE A 49 5.992 5.933 5.870 1.00 0.00 H new ATOM 0 HG23 ILE A 49 6.049 7.550 5.129 1.00 0.00 H new ATOM 0 HD11 ILE A 49 2.146 9.180 5.636 1.00 0.00 H new ATOM 0 HD12 ILE A 49 2.199 7.584 6.422 1.00 0.00 H new ATOM 0 HD13 ILE A 49 3.618 8.656 6.488 1.00 0.00 H new ATOM 785 N ALA A 50 4.507 7.365 1.599 1.00 0.00 N ATOM 786 CA ALA A 50 4.943 8.219 0.510 1.00 0.00 C ATOM 787 C ALA A 50 5.705 9.436 0.993 1.00 0.00 C ATOM 788 O ALA A 50 6.686 9.842 0.391 1.00 0.00 O ATOM 789 CB ALA A 50 3.736 8.675 -0.295 1.00 0.00 C ATOM 0 H ALA A 50 3.500 7.201 1.598 1.00 0.00 H new ATOM 0 HA ALA A 50 5.620 7.630 -0.108 1.00 0.00 H new ATOM 0 HB1 ALA A 50 4.065 9.316 -1.113 1.00 0.00 H new ATOM 0 HB2 ALA A 50 3.220 7.805 -0.701 1.00 0.00 H new ATOM 0 HB3 ALA A 50 3.057 9.231 0.351 1.00 0.00 H new ATOM 795 N GLU A 51 5.281 9.955 2.118 1.00 0.00 N ATOM 796 CA GLU A 51 5.810 11.183 2.678 1.00 0.00 C ATOM 797 C GLU A 51 7.291 11.098 3.060 1.00 0.00 C ATOM 798 O GLU A 51 7.962 12.122 3.162 1.00 0.00 O ATOM 799 CB GLU A 51 4.951 11.612 3.856 1.00 0.00 C ATOM 800 CG GLU A 51 3.515 11.903 3.449 1.00 0.00 C ATOM 801 CD GLU A 51 2.635 12.265 4.602 1.00 0.00 C ATOM 802 OE1 GLU A 51 2.871 13.310 5.237 1.00 0.00 O ATOM 803 OE2 GLU A 51 1.687 11.512 4.901 1.00 0.00 O ATOM 0 H GLU A 51 4.545 9.532 2.684 1.00 0.00 H new ATOM 0 HA GLU A 51 5.765 11.942 1.897 1.00 0.00 H new ATOM 0 HB2 GLU A 51 4.960 10.828 4.613 1.00 0.00 H new ATOM 0 HB3 GLU A 51 5.384 12.502 4.313 1.00 0.00 H new ATOM 0 HG2 GLU A 51 3.508 12.718 2.726 1.00 0.00 H new ATOM 0 HG3 GLU A 51 3.103 11.028 2.947 1.00 0.00 H new ATOM 810 N LEU A 52 7.804 9.900 3.273 1.00 0.00 N ATOM 811 CA LEU A 52 9.211 9.770 3.584 1.00 0.00 C ATOM 812 C LEU A 52 9.975 8.965 2.543 1.00 0.00 C ATOM 813 O LEU A 52 11.118 8.610 2.751 1.00 0.00 O ATOM 814 CB LEU A 52 9.465 9.299 5.044 1.00 0.00 C ATOM 815 CG LEU A 52 8.815 7.996 5.536 1.00 0.00 C ATOM 816 CD1 LEU A 52 9.420 6.747 4.908 1.00 0.00 C ATOM 817 CD2 LEU A 52 8.873 7.922 7.041 1.00 0.00 C ATOM 0 H LEU A 52 7.281 9.025 3.237 1.00 0.00 H new ATOM 0 HA LEU A 52 9.627 10.776 3.530 1.00 0.00 H new ATOM 0 HB2 LEU A 52 10.543 9.197 5.173 1.00 0.00 H new ATOM 0 HB3 LEU A 52 9.139 10.099 5.708 1.00 0.00 H new ATOM 0 HG LEU A 52 7.774 8.022 5.214 1.00 0.00 H new ATOM 0 HD11 LEU A 52 8.916 5.863 5.298 1.00 0.00 H new ATOM 0 HD12 LEU A 52 9.296 6.787 3.826 1.00 0.00 H new ATOM 0 HD13 LEU A 52 10.482 6.696 5.150 1.00 0.00 H new ATOM 0 HD21 LEU A 52 8.410 6.995 7.378 1.00 0.00 H new ATOM 0 HD22 LEU A 52 9.913 7.947 7.367 1.00 0.00 H new ATOM 0 HD23 LEU A 52 8.339 8.771 7.468 1.00 0.00 H new ATOM 829 N VAL A 53 9.368 8.741 1.387 1.00 0.00 N ATOM 830 CA VAL A 53 10.031 7.974 0.325 1.00 0.00 C ATOM 831 C VAL A 53 11.275 8.710 -0.173 1.00 0.00 C ATOM 832 O VAL A 53 12.209 8.099 -0.665 1.00 0.00 O ATOM 833 CB VAL A 53 9.108 7.500 -0.844 1.00 0.00 C ATOM 834 CG1 VAL A 53 8.703 8.625 -1.774 1.00 0.00 C ATOM 835 CG2 VAL A 53 9.739 6.345 -1.611 1.00 0.00 C ATOM 0 H VAL A 53 8.431 9.071 1.155 1.00 0.00 H new ATOM 0 HA VAL A 53 10.336 7.038 0.793 1.00 0.00 H new ATOM 0 HB VAL A 53 8.188 7.141 -0.383 1.00 0.00 H new ATOM 0 HG11 VAL A 53 8.063 8.232 -2.564 1.00 0.00 H new ATOM 0 HG12 VAL A 53 8.160 9.384 -1.212 1.00 0.00 H new ATOM 0 HG13 VAL A 53 9.594 9.070 -2.217 1.00 0.00 H new ATOM 0 HG21 VAL A 53 9.074 6.037 -2.418 1.00 0.00 H new ATOM 0 HG22 VAL A 53 10.693 6.665 -2.030 1.00 0.00 H new ATOM 0 HG23 VAL A 53 9.902 5.506 -0.935 1.00 0.00 H new ATOM 845 N ASN A 54 11.256 10.027 -0.063 1.00 0.00 N ATOM 846 CA ASN A 54 12.397 10.866 -0.424 1.00 0.00 C ATOM 847 C ASN A 54 13.685 10.395 0.274 1.00 0.00 C ATOM 848 O ASN A 54 14.736 10.335 -0.355 1.00 0.00 O ATOM 849 CB ASN A 54 12.132 12.362 -0.111 1.00 0.00 C ATOM 850 CG ASN A 54 11.931 12.677 1.371 1.00 0.00 C ATOM 851 OD1 ASN A 54 12.882 12.961 2.094 1.00 0.00 O ATOM 852 ND2 ASN A 54 10.703 12.657 1.825 1.00 0.00 N ATOM 0 H ASN A 54 10.450 10.550 0.279 1.00 0.00 H new ATOM 0 HA ASN A 54 12.534 10.765 -1.501 1.00 0.00 H new ATOM 0 HB2 ASN A 54 12.970 12.951 -0.484 1.00 0.00 H new ATOM 0 HB3 ASN A 54 11.247 12.683 -0.660 1.00 0.00 H new ATOM 0 HD21 ASN A 54 10.517 12.881 2.803 1.00 0.00 H new ATOM 0 HD22 ASN A 54 9.932 12.417 1.201 1.00 0.00 H new ATOM 859 N VAL A 55 13.589 9.982 1.547 1.00 0.00 N ATOM 860 CA VAL A 55 14.781 9.504 2.260 1.00 0.00 C ATOM 861 C VAL A 55 15.219 8.175 1.687 1.00 0.00 C ATOM 862 O VAL A 55 16.407 7.873 1.577 1.00 0.00 O ATOM 863 CB VAL A 55 14.635 9.420 3.817 1.00 0.00 C ATOM 864 CG1 VAL A 55 14.255 10.741 4.403 1.00 0.00 C ATOM 865 CG2 VAL A 55 13.668 8.350 4.279 1.00 0.00 C ATOM 0 H VAL A 55 12.726 9.969 2.090 1.00 0.00 H new ATOM 0 HA VAL A 55 15.548 10.261 2.098 1.00 0.00 H new ATOM 0 HB VAL A 55 15.621 9.135 4.183 1.00 0.00 H new ATOM 0 HG11 VAL A 55 14.162 10.646 5.485 1.00 0.00 H new ATOM 0 HG12 VAL A 55 15.023 11.478 4.168 1.00 0.00 H new ATOM 0 HG13 VAL A 55 13.302 11.064 3.984 1.00 0.00 H new ATOM 0 HG21 VAL A 55 13.618 8.350 5.368 1.00 0.00 H new ATOM 0 HG22 VAL A 55 12.678 8.553 3.870 1.00 0.00 H new ATOM 0 HG23 VAL A 55 14.011 7.375 3.932 1.00 0.00 H new ATOM 875 N LEU A 56 14.240 7.407 1.289 1.00 0.00 N ATOM 876 CA LEU A 56 14.455 6.143 0.635 1.00 0.00 C ATOM 877 C LEU A 56 15.173 6.334 -0.665 1.00 0.00 C ATOM 878 O LEU A 56 16.073 5.607 -0.957 1.00 0.00 O ATOM 879 CB LEU A 56 13.141 5.382 0.414 1.00 0.00 C ATOM 880 CG LEU A 56 12.670 4.473 1.543 1.00 0.00 C ATOM 881 CD1 LEU A 56 13.635 3.325 1.683 1.00 0.00 C ATOM 882 CD2 LEU A 56 12.572 5.215 2.857 1.00 0.00 C ATOM 0 H LEU A 56 13.256 7.645 1.412 1.00 0.00 H new ATOM 0 HA LEU A 56 15.078 5.540 1.295 1.00 0.00 H new ATOM 0 HB2 LEU A 56 12.356 6.112 0.217 1.00 0.00 H new ATOM 0 HB3 LEU A 56 13.247 4.777 -0.486 1.00 0.00 H new ATOM 0 HG LEU A 56 11.674 4.107 1.294 1.00 0.00 H new ATOM 0 HD11 LEU A 56 13.306 2.669 2.489 1.00 0.00 H new ATOM 0 HD12 LEU A 56 13.670 2.763 0.750 1.00 0.00 H new ATOM 0 HD13 LEU A 56 14.628 3.711 1.912 1.00 0.00 H new ATOM 0 HD21 LEU A 56 12.233 4.532 3.636 1.00 0.00 H new ATOM 0 HD22 LEU A 56 13.551 5.613 3.124 1.00 0.00 H new ATOM 0 HD23 LEU A 56 11.861 6.036 2.759 1.00 0.00 H new ATOM 894 N GLN A 57 14.796 7.360 -1.414 1.00 0.00 N ATOM 895 CA GLN A 57 15.432 7.653 -2.701 1.00 0.00 C ATOM 896 C GLN A 57 16.879 7.892 -2.510 1.00 0.00 C ATOM 897 O GLN A 57 17.712 7.404 -3.283 1.00 0.00 O ATOM 898 CB GLN A 57 14.807 8.871 -3.375 1.00 0.00 C ATOM 899 CG GLN A 57 13.329 8.732 -3.597 1.00 0.00 C ATOM 900 CD GLN A 57 12.970 7.519 -4.412 1.00 0.00 C ATOM 901 OE1 GLN A 57 12.996 6.399 -3.766 1.00 0.00 O flip ATOM 902 NE2 GLN A 57 12.819 7.581 -5.638 1.00 0.00 N flip ATOM 0 H GLN A 57 14.052 8.008 -1.156 1.00 0.00 H new ATOM 0 HA GLN A 57 15.279 6.787 -3.346 1.00 0.00 H new ATOM 0 HB2 GLN A 57 14.994 9.753 -2.762 1.00 0.00 H new ATOM 0 HB3 GLN A 57 15.297 9.039 -4.334 1.00 0.00 H new ATOM 0 HG2 GLN A 57 12.825 8.677 -2.632 1.00 0.00 H new ATOM 0 HG3 GLN A 57 12.957 9.624 -4.100 1.00 0.00 H new ATOM 0 HE21 GLN A 57 12.805 8.488 -6.105 1.00 0.00 H new ATOM 0 HE22 GLN A 57 12.708 6.725 -6.182 1.00 0.00 H new ATOM 1237 N VAL B 5 6.559 -3.546 -12.205 1.00 0.00 N ATOM 1238 CA VAL B 5 6.956 -2.566 -11.243 1.00 0.00 C ATOM 1239 C VAL B 5 5.876 -1.547 -11.133 1.00 0.00 C ATOM 1240 O VAL B 5 5.433 -0.986 -12.141 1.00 0.00 O ATOM 1241 CB VAL B 5 8.286 -1.845 -11.581 1.00 0.00 C ATOM 1242 CG1 VAL B 5 8.627 -0.867 -10.462 1.00 0.00 C ATOM 1243 CG2 VAL B 5 9.422 -2.835 -11.780 1.00 0.00 C ATOM 0 HA VAL B 5 7.122 -3.098 -10.306 1.00 0.00 H new ATOM 0 HB VAL B 5 8.157 -1.303 -12.518 1.00 0.00 H new ATOM 0 HG11 VAL B 5 9.562 -0.358 -10.696 1.00 0.00 H new ATOM 0 HG12 VAL B 5 7.828 -0.132 -10.365 1.00 0.00 H new ATOM 0 HG13 VAL B 5 8.735 -1.411 -9.524 1.00 0.00 H new ATOM 0 HG21 VAL B 5 10.339 -2.294 -12.015 1.00 0.00 H new ATOM 0 HG22 VAL B 5 9.566 -3.412 -10.867 1.00 0.00 H new ATOM 0 HG23 VAL B 5 9.177 -3.509 -12.601 1.00 0.00 H new ATOM 1253 N ASN B 6 5.417 -1.357 -9.955 1.00 0.00 N ATOM 1254 CA ASN B 6 4.408 -0.389 -9.668 1.00 0.00 C ATOM 1255 C ASN B 6 4.594 0.170 -8.321 1.00 0.00 C ATOM 1256 O ASN B 6 4.526 -0.515 -7.306 1.00 0.00 O ATOM 1257 CB ASN B 6 2.995 -0.912 -9.864 1.00 0.00 C ATOM 1258 CG ASN B 6 2.775 -2.204 -9.208 1.00 0.00 C ATOM 1259 OD1 ASN B 6 2.348 -2.308 -8.057 1.00 0.00 O ATOM 1260 ND2 ASN B 6 3.052 -3.200 -9.930 1.00 0.00 N ATOM 0 H ASN B 6 5.734 -1.878 -9.138 1.00 0.00 H new ATOM 0 HA ASN B 6 4.528 0.411 -10.398 1.00 0.00 H new ATOM 0 HB2 ASN B 6 2.285 -0.184 -9.472 1.00 0.00 H new ATOM 0 HB3 ASN B 6 2.793 -1.011 -10.931 1.00 0.00 H new ATOM 0 HD21 ASN B 6 2.925 -4.145 -9.566 1.00 0.00 H new ATOM 0 HD22 ASN B 6 3.403 -3.061 -10.878 1.00 0.00 H new ATOM 1267 N VAL B 7 4.929 1.360 -8.329 1.00 0.00 N ATOM 1268 CA VAL B 7 5.054 2.141 -7.144 1.00 0.00 C ATOM 1269 C VAL B 7 4.006 3.203 -7.282 1.00 0.00 C ATOM 1270 O VAL B 7 3.998 3.938 -8.275 1.00 0.00 O ATOM 1271 CB VAL B 7 6.467 2.782 -6.981 1.00 0.00 C ATOM 1272 CG1 VAL B 7 6.630 3.498 -5.648 1.00 0.00 C ATOM 1273 CG2 VAL B 7 7.569 1.764 -7.190 1.00 0.00 C ATOM 0 H VAL B 7 5.142 1.874 -9.184 1.00 0.00 H new ATOM 0 HA VAL B 7 4.926 1.522 -6.256 1.00 0.00 H new ATOM 0 HB VAL B 7 6.555 3.537 -7.762 1.00 0.00 H new ATOM 0 HG11 VAL B 7 7.630 3.926 -5.585 1.00 0.00 H new ATOM 0 HG12 VAL B 7 5.889 4.294 -5.569 1.00 0.00 H new ATOM 0 HG13 VAL B 7 6.487 2.788 -4.834 1.00 0.00 H new ATOM 0 HG21 VAL B 7 8.538 2.247 -7.069 1.00 0.00 H new ATOM 0 HG22 VAL B 7 7.468 0.963 -6.457 1.00 0.00 H new ATOM 0 HG23 VAL B 7 7.494 1.348 -8.195 1.00 0.00 H new ATOM 1283 N LEU B 8 3.129 3.287 -6.342 1.00 0.00 N ATOM 1284 CA LEU B 8 1.970 4.097 -6.522 1.00 0.00 C ATOM 1285 C LEU B 8 1.542 4.772 -5.218 1.00 0.00 C ATOM 1286 O LEU B 8 1.628 4.180 -4.158 1.00 0.00 O ATOM 1287 CB LEU B 8 0.896 3.182 -7.067 1.00 0.00 C ATOM 1288 CG LEU B 8 -0.383 3.806 -7.519 1.00 0.00 C ATOM 1289 CD1 LEU B 8 -0.135 4.824 -8.611 1.00 0.00 C ATOM 1290 CD2 LEU B 8 -1.288 2.740 -8.021 1.00 0.00 C ATOM 0 H LEU B 8 3.190 2.808 -5.444 1.00 0.00 H new ATOM 0 HA LEU B 8 2.168 4.916 -7.214 1.00 0.00 H new ATOM 0 HB2 LEU B 8 1.318 2.634 -7.909 1.00 0.00 H new ATOM 0 HB3 LEU B 8 0.658 2.448 -6.297 1.00 0.00 H new ATOM 0 HG LEU B 8 -0.842 4.322 -6.675 1.00 0.00 H new ATOM 0 HD11 LEU B 8 -1.083 5.263 -8.921 1.00 0.00 H new ATOM 0 HD12 LEU B 8 0.522 5.608 -8.235 1.00 0.00 H new ATOM 0 HD13 LEU B 8 0.335 4.335 -9.464 1.00 0.00 H new ATOM 0 HD21 LEU B 8 -2.226 3.185 -8.354 1.00 0.00 H new ATOM 0 HD22 LEU B 8 -0.815 2.224 -8.857 1.00 0.00 H new ATOM 0 HD23 LEU B 8 -1.489 2.027 -7.221 1.00 0.00 H new ATOM 1302 N LYS B 9 1.089 6.004 -5.314 1.00 0.00 N ATOM 1303 CA LYS B 9 0.730 6.808 -4.150 1.00 0.00 C ATOM 1304 C LYS B 9 -0.795 6.943 -4.041 1.00 0.00 C ATOM 1305 O LYS B 9 -1.466 7.333 -5.009 1.00 0.00 O ATOM 1306 CB LYS B 9 1.418 8.180 -4.298 1.00 0.00 C ATOM 1307 CG LYS B 9 1.385 9.122 -3.073 1.00 0.00 C ATOM 1308 CD LYS B 9 0.054 9.854 -2.869 1.00 0.00 C ATOM 1309 CE LYS B 9 -0.220 10.851 -3.986 1.00 0.00 C ATOM 1310 NZ LYS B 9 -1.462 11.610 -3.754 1.00 0.00 N ATOM 0 H LYS B 9 0.956 6.485 -6.204 1.00 0.00 H new ATOM 0 HA LYS B 9 1.067 6.331 -3.230 1.00 0.00 H new ATOM 0 HB2 LYS B 9 2.461 8.008 -4.564 1.00 0.00 H new ATOM 0 HB3 LYS B 9 0.957 8.701 -5.137 1.00 0.00 H new ATOM 0 HG2 LYS B 9 1.606 8.541 -2.178 1.00 0.00 H new ATOM 0 HG3 LYS B 9 2.179 9.861 -3.178 1.00 0.00 H new ATOM 0 HD2 LYS B 9 -0.757 9.127 -2.823 1.00 0.00 H new ATOM 0 HD3 LYS B 9 0.069 10.375 -1.912 1.00 0.00 H new ATOM 0 HE2 LYS B 9 0.618 11.543 -4.068 1.00 0.00 H new ATOM 0 HE3 LYS B 9 -0.291 10.321 -4.936 1.00 0.00 H new ATOM 0 HZ1 LYS B 9 -1.612 12.278 -4.537 1.00 0.00 H new ATOM 0 HZ2 LYS B 9 -2.266 10.952 -3.701 1.00 0.00 H new ATOM 0 HZ3 LYS B 9 -1.385 12.136 -2.860 1.00 0.00 H new ATOM 1324 N GLY B 10 -1.325 6.629 -2.862 1.00 0.00 N ATOM 1325 CA GLY B 10 -2.754 6.664 -2.608 1.00 0.00 C ATOM 1326 C GLY B 10 -3.085 5.881 -1.347 1.00 0.00 C ATOM 1327 O GLY B 10 -2.363 6.001 -0.344 1.00 0.00 O ATOM 0 H GLY B 10 -0.770 6.343 -2.056 1.00 0.00 H new ATOM 0 HA2 GLY B 10 -3.086 7.697 -2.501 1.00 0.00 H new ATOM 0 HA3 GLY B 10 -3.292 6.243 -3.457 1.00 0.00 H new ATOM 1331 N VAL B 11 -4.151 5.089 -1.377 1.00 0.00 N ATOM 1332 CA VAL B 11 -4.534 4.267 -0.240 1.00 0.00 C ATOM 1333 C VAL B 11 -4.472 2.787 -0.614 1.00 0.00 C ATOM 1334 O VAL B 11 -4.942 2.365 -1.682 1.00 0.00 O ATOM 1335 CB VAL B 11 -5.970 4.612 0.284 1.00 0.00 C ATOM 1336 CG1 VAL B 11 -6.382 3.710 1.433 1.00 0.00 C ATOM 1337 CG2 VAL B 11 -6.043 6.044 0.727 1.00 0.00 C ATOM 0 H VAL B 11 -4.768 5.000 -2.184 1.00 0.00 H new ATOM 0 HA VAL B 11 -3.826 4.479 0.561 1.00 0.00 H new ATOM 0 HB VAL B 11 -6.659 4.451 -0.545 1.00 0.00 H new ATOM 0 HG11 VAL B 11 -7.383 3.981 1.768 1.00 0.00 H new ATOM 0 HG12 VAL B 11 -6.380 2.672 1.100 1.00 0.00 H new ATOM 0 HG13 VAL B 11 -5.679 3.828 2.258 1.00 0.00 H new ATOM 0 HG21 VAL B 11 -7.048 6.263 1.087 1.00 0.00 H new ATOM 0 HG22 VAL B 11 -5.325 6.214 1.530 1.00 0.00 H new ATOM 0 HG23 VAL B 11 -5.809 6.697 -0.113 1.00 0.00 H new ATOM 1347 N LEU B 12 -3.891 2.027 0.252 1.00 0.00 N ATOM 1348 CA LEU B 12 -3.772 0.603 0.092 1.00 0.00 C ATOM 1349 C LEU B 12 -4.865 -0.036 0.970 1.00 0.00 C ATOM 1350 O LEU B 12 -4.789 0.076 2.184 1.00 0.00 O ATOM 1351 CB LEU B 12 -2.397 0.199 0.659 1.00 0.00 C ATOM 1352 CG LEU B 12 -2.002 -1.254 0.533 1.00 0.00 C ATOM 1353 CD1 LEU B 12 -1.415 -1.549 -0.811 1.00 0.00 C ATOM 1354 CD2 LEU B 12 -1.079 -1.704 1.645 1.00 0.00 C ATOM 0 H LEU B 12 -3.473 2.379 1.113 1.00 0.00 H new ATOM 0 HA LEU B 12 -3.871 0.292 -0.948 1.00 0.00 H new ATOM 0 HB2 LEU B 12 -1.636 0.801 0.163 1.00 0.00 H new ATOM 0 HB3 LEU B 12 -2.375 0.465 1.716 1.00 0.00 H new ATOM 0 HG LEU B 12 -2.920 -1.833 0.633 1.00 0.00 H new ATOM 0 HD11 LEU B 12 -1.143 -2.603 -0.866 1.00 0.00 H new ATOM 0 HD12 LEU B 12 -2.148 -1.323 -1.586 1.00 0.00 H new ATOM 0 HD13 LEU B 12 -0.526 -0.936 -0.962 1.00 0.00 H new ATOM 0 HD21 LEU B 12 -0.827 -2.755 1.506 1.00 0.00 H new ATOM 0 HD22 LEU B 12 -0.168 -1.107 1.625 1.00 0.00 H new ATOM 0 HD23 LEU B 12 -1.577 -1.575 2.606 1.00 0.00 H new ATOM 1366 N ILE B 13 -5.857 -0.707 0.391 1.00 0.00 N ATOM 1367 CA ILE B 13 -6.930 -1.289 1.222 1.00 0.00 C ATOM 1368 C ILE B 13 -6.927 -2.819 1.194 1.00 0.00 C ATOM 1369 O ILE B 13 -6.894 -3.425 0.122 1.00 0.00 O ATOM 1370 CB ILE B 13 -8.352 -0.708 0.888 1.00 0.00 C ATOM 1371 CG1 ILE B 13 -9.430 -1.339 1.797 1.00 0.00 C ATOM 1372 CG2 ILE B 13 -8.709 -0.897 -0.584 1.00 0.00 C ATOM 1373 CD1 ILE B 13 -10.798 -0.705 1.674 1.00 0.00 C ATOM 0 H ILE B 13 -5.949 -0.863 -0.613 1.00 0.00 H new ATOM 0 HA ILE B 13 -6.703 -0.985 2.244 1.00 0.00 H new ATOM 0 HB ILE B 13 -8.320 0.364 1.082 1.00 0.00 H new ATOM 0 HG12 ILE B 13 -9.512 -2.400 1.561 1.00 0.00 H new ATOM 0 HG13 ILE B 13 -9.101 -1.268 2.834 1.00 0.00 H new ATOM 0 HG21 ILE B 13 -9.699 -0.482 -0.774 1.00 0.00 H new ATOM 0 HG22 ILE B 13 -7.975 -0.384 -1.205 1.00 0.00 H new ATOM 0 HG23 ILE B 13 -8.708 -1.960 -0.825 1.00 0.00 H new ATOM 0 HD11 ILE B 13 -11.494 -1.208 2.346 1.00 0.00 H new ATOM 0 HD12 ILE B 13 -10.735 0.350 1.940 1.00 0.00 H new ATOM 0 HD13 ILE B 13 -11.152 -0.800 0.647 1.00 0.00 H new ATOM 1385 N GLU B 14 -6.852 -3.426 2.379 1.00 0.00 N ATOM 1386 CA GLU B 14 -6.873 -4.885 2.548 1.00 0.00 C ATOM 1387 C GLU B 14 -8.055 -5.251 3.376 1.00 0.00 C ATOM 1388 O GLU B 14 -8.442 -4.492 4.258 1.00 0.00 O ATOM 1389 CB GLU B 14 -5.632 -5.329 3.297 1.00 0.00 C ATOM 1390 CG GLU B 14 -5.464 -6.806 3.587 1.00 0.00 C ATOM 1391 CD GLU B 14 -4.319 -7.035 4.540 1.00 0.00 C ATOM 1392 OE1 GLU B 14 -3.166 -6.774 4.175 1.00 0.00 O ATOM 1393 OE2 GLU B 14 -4.572 -7.410 5.692 1.00 0.00 O ATOM 0 H GLU B 14 -6.774 -2.916 3.259 1.00 0.00 H new ATOM 0 HA GLU B 14 -6.914 -5.361 1.568 1.00 0.00 H new ATOM 0 HB2 GLU B 14 -4.763 -5.000 2.727 1.00 0.00 H new ATOM 0 HB3 GLU B 14 -5.609 -4.798 4.248 1.00 0.00 H new ATOM 0 HG2 GLU B 14 -6.384 -7.205 4.014 1.00 0.00 H new ATOM 0 HG3 GLU B 14 -5.284 -7.346 2.657 1.00 0.00 H new ATOM 1400 N CYS B 15 -8.553 -6.414 3.140 1.00 0.00 N ATOM 1401 CA CYS B 15 -9.693 -6.961 3.815 1.00 0.00 C ATOM 1402 C CYS B 15 -9.665 -8.419 3.472 1.00 0.00 C ATOM 1403 O CYS B 15 -8.605 -8.945 3.156 1.00 0.00 O ATOM 1404 CB CYS B 15 -10.970 -6.320 3.248 1.00 0.00 C ATOM 1405 SG CYS B 15 -12.520 -6.688 4.132 1.00 0.00 S ATOM 0 H CYS B 15 -8.163 -7.045 2.439 1.00 0.00 H new ATOM 0 HA CYS B 15 -9.676 -6.785 4.891 1.00 0.00 H new ATOM 0 HB2 CYS B 15 -10.833 -5.239 3.234 1.00 0.00 H new ATOM 0 HB3 CYS B 15 -11.083 -6.640 2.212 1.00 0.00 H new ATOM 0 HG CYS B 15 -13.509 -6.081 3.545 1.00 0.00 H new ATOM 1411 N ASP B 16 -10.780 -9.062 3.550 1.00 0.00 N ATOM 1412 CA ASP B 16 -10.917 -10.396 3.056 1.00 0.00 C ATOM 1413 C ASP B 16 -10.934 -10.295 1.522 1.00 0.00 C ATOM 1414 O ASP B 16 -11.537 -9.350 0.983 1.00 0.00 O ATOM 1415 CB ASP B 16 -12.224 -10.991 3.566 1.00 0.00 C ATOM 1416 CG ASP B 16 -12.460 -12.403 3.107 1.00 0.00 C ATOM 1417 OD1 ASP B 16 -12.033 -13.349 3.803 1.00 0.00 O ATOM 1418 OD2 ASP B 16 -13.080 -12.593 2.052 1.00 0.00 O ATOM 0 H ASP B 16 -11.630 -8.677 3.961 1.00 0.00 H new ATOM 0 HA ASP B 16 -10.102 -11.038 3.391 1.00 0.00 H new ATOM 0 HB2 ASP B 16 -12.224 -10.967 4.656 1.00 0.00 H new ATOM 0 HB3 ASP B 16 -13.053 -10.366 3.233 1.00 0.00 H new ATOM 1423 N PRO B 17 -10.266 -11.223 0.797 1.00 0.00 N ATOM 1424 CA PRO B 17 -10.155 -11.192 -0.683 1.00 0.00 C ATOM 1425 C PRO B 17 -11.491 -11.041 -1.421 1.00 0.00 C ATOM 1426 O PRO B 17 -11.525 -10.558 -2.546 1.00 0.00 O ATOM 1427 CB PRO B 17 -9.513 -12.533 -1.010 1.00 0.00 C ATOM 1428 CG PRO B 17 -8.721 -12.853 0.195 1.00 0.00 C ATOM 1429 CD PRO B 17 -9.533 -12.376 1.353 1.00 0.00 C ATOM 0 HA PRO B 17 -9.587 -10.321 -1.009 1.00 0.00 H new ATOM 0 HB2 PRO B 17 -10.264 -13.297 -1.209 1.00 0.00 H new ATOM 0 HB3 PRO B 17 -8.882 -12.468 -1.897 1.00 0.00 H new ATOM 0 HG2 PRO B 17 -8.531 -13.924 0.265 1.00 0.00 H new ATOM 0 HG3 PRO B 17 -7.750 -12.358 0.168 1.00 0.00 H new ATOM 0 HD2 PRO B 17 -10.212 -13.148 1.715 1.00 0.00 H new ATOM 0 HD3 PRO B 17 -8.903 -12.086 2.194 1.00 0.00 H new ATOM 1437 N ALA B 18 -12.582 -11.405 -0.769 1.00 0.00 N ATOM 1438 CA ALA B 18 -13.925 -11.303 -1.335 1.00 0.00 C ATOM 1439 C ALA B 18 -14.296 -9.860 -1.641 1.00 0.00 C ATOM 1440 O ALA B 18 -15.125 -9.583 -2.546 1.00 0.00 O ATOM 1441 CB ALA B 18 -14.905 -11.857 -0.373 1.00 0.00 C ATOM 0 H ALA B 18 -12.565 -11.784 0.178 1.00 0.00 H new ATOM 0 HA ALA B 18 -13.940 -11.866 -2.268 1.00 0.00 H new ATOM 0 HB1 ALA B 18 -15.908 -11.782 -0.792 1.00 0.00 H new ATOM 0 HB2 ALA B 18 -14.671 -12.903 -0.177 1.00 0.00 H new ATOM 0 HB3 ALA B 18 -14.858 -11.294 0.559 1.00 0.00 H new ATOM 1447 N MET B 19 -13.661 -8.923 -0.927 1.00 0.00 N ATOM 1448 CA MET B 19 -13.943 -7.515 -1.128 1.00 0.00 C ATOM 1449 C MET B 19 -13.591 -7.154 -2.557 1.00 0.00 C ATOM 1450 O MET B 19 -14.217 -6.308 -3.155 1.00 0.00 O ATOM 1451 CB MET B 19 -13.123 -6.594 -0.186 1.00 0.00 C ATOM 1452 CG MET B 19 -11.729 -6.279 -0.711 1.00 0.00 C ATOM 1453 SD MET B 19 -10.817 -5.084 0.252 1.00 0.00 S ATOM 1454 CE MET B 19 -9.342 -5.015 -0.733 1.00 0.00 C ATOM 0 H MET B 19 -12.958 -9.120 -0.215 1.00 0.00 H new ATOM 0 HA MET B 19 -15.000 -7.361 -0.910 1.00 0.00 H new ATOM 0 HB2 MET B 19 -13.667 -5.661 -0.038 1.00 0.00 H new ATOM 0 HB3 MET B 19 -13.036 -7.070 0.791 1.00 0.00 H new ATOM 0 HG2 MET B 19 -11.155 -7.204 -0.754 1.00 0.00 H new ATOM 0 HG3 MET B 19 -11.816 -5.910 -1.733 1.00 0.00 H new ATOM 0 HE1 MET B 19 -8.501 -5.399 -0.156 1.00 0.00 H new ATOM 0 HE2 MET B 19 -9.474 -5.621 -1.629 1.00 0.00 H new ATOM 0 HE3 MET B 19 -9.144 -3.982 -1.020 1.00 0.00 H new ATOM 1464 N LYS B 20 -12.593 -7.863 -3.102 1.00 0.00 N ATOM 1465 CA LYS B 20 -12.079 -7.603 -4.407 1.00 0.00 C ATOM 1466 C LYS B 20 -13.159 -7.913 -5.417 1.00 0.00 C ATOM 1467 O LYS B 20 -13.334 -7.189 -6.363 1.00 0.00 O ATOM 1468 CB LYS B 20 -10.798 -8.437 -4.633 1.00 0.00 C ATOM 1469 CG LYS B 20 -9.652 -7.748 -5.401 1.00 0.00 C ATOM 1470 CD LYS B 20 -9.635 -7.993 -6.920 1.00 0.00 C ATOM 1471 CE LYS B 20 -10.770 -7.407 -7.655 1.00 0.00 C ATOM 1472 NZ LYS B 20 -10.697 -5.935 -7.645 1.00 0.00 N ATOM 0 H LYS B 20 -12.131 -8.637 -2.625 1.00 0.00 H new ATOM 0 HA LYS B 20 -11.801 -6.555 -4.520 1.00 0.00 H new ATOM 0 HB2 LYS B 20 -10.418 -8.747 -3.660 1.00 0.00 H new ATOM 0 HB3 LYS B 20 -11.073 -9.344 -5.172 1.00 0.00 H new ATOM 0 HG2 LYS B 20 -9.713 -6.674 -5.224 1.00 0.00 H new ATOM 0 HG3 LYS B 20 -8.703 -8.087 -4.985 1.00 0.00 H new ATOM 0 HD2 LYS B 20 -8.709 -7.589 -7.328 1.00 0.00 H new ATOM 0 HD3 LYS B 20 -9.620 -9.068 -7.100 1.00 0.00 H new ATOM 0 HE2 LYS B 20 -10.769 -7.769 -8.683 1.00 0.00 H new ATOM 0 HE3 LYS B 20 -11.708 -7.732 -7.204 1.00 0.00 H new ATOM 0 HZ1 LYS B 20 -11.263 -5.554 -8.430 1.00 0.00 H new ATOM 0 HZ2 LYS B 20 -11.069 -5.575 -6.743 1.00 0.00 H new ATOM 0 HZ3 LYS B 20 -9.707 -5.636 -7.755 1.00 0.00 H new ATOM 1486 N GLN B 21 -13.912 -8.950 -5.174 1.00 0.00 N ATOM 1487 CA GLN B 21 -14.989 -9.313 -6.072 1.00 0.00 C ATOM 1488 C GLN B 21 -16.085 -8.254 -6.112 1.00 0.00 C ATOM 1489 O GLN B 21 -16.543 -7.883 -7.200 1.00 0.00 O ATOM 1490 CB GLN B 21 -15.558 -10.704 -5.827 1.00 0.00 C ATOM 1491 CG GLN B 21 -14.576 -11.850 -6.074 1.00 0.00 C ATOM 1492 CD GLN B 21 -13.616 -12.096 -4.928 1.00 0.00 C ATOM 1493 OE1 GLN B 21 -13.921 -12.837 -3.999 1.00 0.00 O ATOM 1494 NE2 GLN B 21 -12.437 -11.562 -5.022 1.00 0.00 N ATOM 0 H GLN B 21 -13.805 -9.562 -4.365 1.00 0.00 H new ATOM 0 HA GLN B 21 -14.532 -9.355 -7.061 1.00 0.00 H new ATOM 0 HB2 GLN B 21 -15.910 -10.761 -4.797 1.00 0.00 H new ATOM 0 HB3 GLN B 21 -16.427 -10.844 -6.469 1.00 0.00 H new ATOM 0 HG2 GLN B 21 -15.140 -12.763 -6.265 1.00 0.00 H new ATOM 0 HG3 GLN B 21 -14.002 -11.635 -6.976 1.00 0.00 H new ATOM 0 HE21 GLN B 21 -12.215 -10.950 -5.807 1.00 0.00 H new ATOM 0 HE22 GLN B 21 -11.732 -11.754 -4.311 1.00 0.00 H new ATOM 1503 N PHE B 22 -16.495 -7.731 -4.955 1.00 0.00 N ATOM 1504 CA PHE B 22 -17.472 -6.627 -5.008 1.00 0.00 C ATOM 1505 C PHE B 22 -16.852 -5.347 -5.598 1.00 0.00 C ATOM 1506 O PHE B 22 -17.501 -4.592 -6.306 1.00 0.00 O ATOM 1507 CB PHE B 22 -18.324 -6.390 -3.722 1.00 0.00 C ATOM 1508 CG PHE B 22 -17.623 -5.990 -2.445 1.00 0.00 C ATOM 1509 CD1 PHE B 22 -17.108 -4.710 -2.281 1.00 0.00 C ATOM 1510 CD2 PHE B 22 -17.548 -6.876 -1.382 1.00 0.00 C ATOM 1511 CE1 PHE B 22 -16.527 -4.326 -1.089 1.00 0.00 C ATOM 1512 CE2 PHE B 22 -16.962 -6.500 -0.189 1.00 0.00 C ATOM 1513 CZ PHE B 22 -16.451 -5.224 -0.041 1.00 0.00 C ATOM 0 H PHE B 22 -16.195 -8.024 -4.025 1.00 0.00 H new ATOM 0 HA PHE B 22 -18.234 -6.971 -5.708 1.00 0.00 H new ATOM 0 HB2 PHE B 22 -19.058 -5.617 -3.951 1.00 0.00 H new ATOM 0 HB3 PHE B 22 -18.878 -7.307 -3.520 1.00 0.00 H new ATOM 0 HD1 PHE B 22 -17.163 -4.005 -3.098 1.00 0.00 H new ATOM 0 HD2 PHE B 22 -17.952 -7.872 -1.488 1.00 0.00 H new ATOM 0 HE1 PHE B 22 -16.133 -3.327 -0.976 1.00 0.00 H new ATOM 0 HE2 PHE B 22 -16.903 -7.203 0.629 1.00 0.00 H new ATOM 0 HZ PHE B 22 -15.993 -4.929 0.892 1.00 0.00 H new ATOM 1523 N LEU B 23 -15.578 -5.151 -5.307 1.00 0.00 N ATOM 1524 CA LEU B 23 -14.778 -4.055 -5.776 1.00 0.00 C ATOM 1525 C LEU B 23 -14.719 -4.058 -7.306 1.00 0.00 C ATOM 1526 O LEU B 23 -14.950 -3.033 -7.928 1.00 0.00 O ATOM 1527 CB LEU B 23 -13.384 -4.275 -5.166 1.00 0.00 C ATOM 1528 CG LEU B 23 -12.422 -3.121 -5.083 1.00 0.00 C ATOM 1529 CD1 LEU B 23 -12.010 -2.635 -6.430 1.00 0.00 C ATOM 1530 CD2 LEU B 23 -12.952 -2.006 -4.189 1.00 0.00 C ATOM 0 H LEU B 23 -15.056 -5.789 -4.706 1.00 0.00 H new ATOM 0 HA LEU B 23 -15.190 -3.090 -5.483 1.00 0.00 H new ATOM 0 HB2 LEU B 23 -13.526 -4.655 -4.154 1.00 0.00 H new ATOM 0 HB3 LEU B 23 -12.898 -5.065 -5.738 1.00 0.00 H new ATOM 0 HG LEU B 23 -11.514 -3.492 -4.607 1.00 0.00 H new ATOM 0 HD11 LEU B 23 -11.316 -1.802 -6.320 1.00 0.00 H new ATOM 0 HD12 LEU B 23 -11.523 -3.443 -6.975 1.00 0.00 H new ATOM 0 HD13 LEU B 23 -12.890 -2.304 -6.982 1.00 0.00 H new ATOM 0 HD21 LEU B 23 -12.228 -1.192 -4.155 1.00 0.00 H new ATOM 0 HD22 LEU B 23 -13.896 -1.636 -4.589 1.00 0.00 H new ATOM 0 HD23 LEU B 23 -13.111 -2.392 -3.182 1.00 0.00 H new ATOM 1542 N LEU B 24 -14.447 -5.206 -7.898 1.00 0.00 N ATOM 1543 CA LEU B 24 -14.346 -5.303 -9.341 1.00 0.00 C ATOM 1544 C LEU B 24 -15.707 -5.072 -9.996 1.00 0.00 C ATOM 1545 O LEU B 24 -15.801 -4.521 -11.093 1.00 0.00 O ATOM 1546 CB LEU B 24 -13.696 -6.637 -9.769 1.00 0.00 C ATOM 1547 CG LEU B 24 -14.401 -7.932 -9.382 1.00 0.00 C ATOM 1548 CD1 LEU B 24 -15.495 -8.306 -10.356 1.00 0.00 C ATOM 1549 CD2 LEU B 24 -13.409 -9.039 -9.202 1.00 0.00 C ATOM 0 H LEU B 24 -14.292 -6.084 -7.402 1.00 0.00 H new ATOM 0 HA LEU B 24 -13.685 -4.512 -9.696 1.00 0.00 H new ATOM 0 HB2 LEU B 24 -13.591 -6.625 -10.854 1.00 0.00 H new ATOM 0 HB3 LEU B 24 -12.689 -6.667 -9.352 1.00 0.00 H new ATOM 0 HG LEU B 24 -14.895 -7.763 -8.425 1.00 0.00 H new ATOM 0 HD11 LEU B 24 -15.966 -9.235 -10.035 1.00 0.00 H new ATOM 0 HD12 LEU B 24 -16.242 -7.513 -10.386 1.00 0.00 H new ATOM 0 HD13 LEU B 24 -15.067 -8.440 -11.350 1.00 0.00 H new ATOM 0 HD21 LEU B 24 -13.932 -9.955 -8.926 1.00 0.00 H new ATOM 0 HD22 LEU B 24 -12.867 -9.197 -10.135 1.00 0.00 H new ATOM 0 HD23 LEU B 24 -12.705 -8.772 -8.414 1.00 0.00 H new ATOM 1561 N TYR B 25 -16.764 -5.496 -9.301 1.00 0.00 N ATOM 1562 CA TYR B 25 -18.118 -5.291 -9.770 1.00 0.00 C ATOM 1563 C TYR B 25 -18.464 -3.818 -9.726 1.00 0.00 C ATOM 1564 O TYR B 25 -18.979 -3.263 -10.686 1.00 0.00 O ATOM 1565 CB TYR B 25 -19.132 -6.105 -8.945 1.00 0.00 C ATOM 1566 CG TYR B 25 -20.580 -5.778 -9.274 1.00 0.00 C ATOM 1567 CD1 TYR B 25 -21.189 -6.265 -10.426 1.00 0.00 C ATOM 1568 CD2 TYR B 25 -21.326 -4.955 -8.441 1.00 0.00 C ATOM 1569 CE1 TYR B 25 -22.498 -5.943 -10.729 1.00 0.00 C ATOM 1570 CE2 TYR B 25 -22.624 -4.629 -8.740 1.00 0.00 C ATOM 1571 CZ TYR B 25 -23.207 -5.124 -9.880 1.00 0.00 C ATOM 1572 OH TYR B 25 -24.508 -4.784 -10.176 1.00 0.00 O ATOM 0 H TYR B 25 -16.698 -5.985 -8.408 1.00 0.00 H new ATOM 0 HA TYR B 25 -18.174 -5.642 -10.800 1.00 0.00 H new ATOM 0 HB2 TYR B 25 -18.959 -7.167 -9.117 1.00 0.00 H new ATOM 0 HB3 TYR B 25 -18.958 -5.921 -7.885 1.00 0.00 H new ATOM 0 HD1 TYR B 25 -20.630 -6.904 -11.093 1.00 0.00 H new ATOM 0 HD2 TYR B 25 -20.876 -4.564 -7.541 1.00 0.00 H new ATOM 0 HE1 TYR B 25 -22.961 -6.331 -11.624 1.00 0.00 H new ATOM 0 HE2 TYR B 25 -23.186 -3.985 -8.080 1.00 0.00 H new ATOM 0 HH TYR B 25 -24.862 -4.201 -9.472 1.00 0.00 H new ATOM 1582 N LEU B 26 -18.153 -3.183 -8.618 1.00 0.00 N ATOM 1583 CA LEU B 26 -18.432 -1.780 -8.455 1.00 0.00 C ATOM 1584 C LEU B 26 -17.612 -1.002 -9.482 1.00 0.00 C ATOM 1585 O LEU B 26 -18.062 -0.002 -9.998 1.00 0.00 O ATOM 1586 CB LEU B 26 -18.150 -1.329 -6.995 1.00 0.00 C ATOM 1587 CG LEU B 26 -18.833 -0.019 -6.492 1.00 0.00 C ATOM 1588 CD1 LEU B 26 -18.292 1.228 -7.176 1.00 0.00 C ATOM 1589 CD2 LEU B 26 -20.341 -0.106 -6.681 1.00 0.00 C ATOM 0 H LEU B 26 -17.704 -3.622 -7.814 1.00 0.00 H new ATOM 0 HA LEU B 26 -19.488 -1.578 -8.633 1.00 0.00 H new ATOM 0 HB2 LEU B 26 -18.450 -2.139 -6.331 1.00 0.00 H new ATOM 0 HB3 LEU B 26 -17.072 -1.208 -6.884 1.00 0.00 H new ATOM 0 HG LEU B 26 -18.599 0.072 -5.431 1.00 0.00 H new ATOM 0 HD11 LEU B 26 -18.804 2.108 -6.786 1.00 0.00 H new ATOM 0 HD12 LEU B 26 -17.223 1.315 -6.982 1.00 0.00 H new ATOM 0 HD13 LEU B 26 -18.461 1.156 -8.250 1.00 0.00 H new ATOM 0 HD21 LEU B 26 -20.806 0.814 -6.326 1.00 0.00 H new ATOM 0 HD22 LEU B 26 -20.568 -0.243 -7.738 1.00 0.00 H new ATOM 0 HD23 LEU B 26 -20.731 -0.951 -6.114 1.00 0.00 H new ATOM 1601 N ASP B 27 -16.427 -1.497 -9.780 1.00 0.00 N ATOM 1602 CA ASP B 27 -15.568 -0.914 -10.806 1.00 0.00 C ATOM 1603 C ASP B 27 -16.207 -0.989 -12.181 1.00 0.00 C ATOM 1604 O ASP B 27 -16.235 -0.001 -12.915 1.00 0.00 O ATOM 1605 CB ASP B 27 -14.212 -1.603 -10.833 1.00 0.00 C ATOM 1606 CG ASP B 27 -13.362 -1.154 -11.996 1.00 0.00 C ATOM 1607 OD1 ASP B 27 -12.922 0.023 -12.034 1.00 0.00 O ATOM 1608 OD2 ASP B 27 -13.129 -1.965 -12.911 1.00 0.00 O ATOM 0 H ASP B 27 -16.027 -2.315 -9.321 1.00 0.00 H new ATOM 0 HA ASP B 27 -15.430 0.136 -10.549 1.00 0.00 H new ATOM 0 HB2 ASP B 27 -13.685 -1.399 -9.901 1.00 0.00 H new ATOM 0 HB3 ASP B 27 -14.357 -2.682 -10.887 1.00 0.00 H new ATOM 1613 N GLU B 28 -16.750 -2.147 -12.521 1.00 0.00 N ATOM 1614 CA GLU B 28 -17.358 -2.332 -13.828 1.00 0.00 C ATOM 1615 C GLU B 28 -18.656 -1.554 -13.958 1.00 0.00 C ATOM 1616 O GLU B 28 -18.992 -1.056 -15.041 1.00 0.00 O ATOM 1617 CB GLU B 28 -17.502 -3.830 -14.184 1.00 0.00 C ATOM 1618 CG GLU B 28 -18.475 -4.670 -13.346 1.00 0.00 C ATOM 1619 CD GLU B 28 -19.895 -4.687 -13.878 1.00 0.00 C ATOM 1620 OE1 GLU B 28 -20.185 -5.508 -14.783 1.00 0.00 O ATOM 1621 OE2 GLU B 28 -20.744 -3.912 -13.404 1.00 0.00 O ATOM 0 H GLU B 28 -16.782 -2.967 -11.915 1.00 0.00 H new ATOM 0 HA GLU B 28 -16.682 -1.912 -14.573 1.00 0.00 H new ATOM 0 HB2 GLU B 28 -17.811 -3.899 -15.227 1.00 0.00 H new ATOM 0 HB3 GLU B 28 -16.516 -4.288 -14.113 1.00 0.00 H new ATOM 0 HG2 GLU B 28 -18.105 -5.694 -13.297 1.00 0.00 H new ATOM 0 HG3 GLU B 28 -18.485 -4.285 -12.326 1.00 0.00 H new ATOM 1628 N SER B 29 -19.373 -1.431 -12.865 1.00 0.00 N ATOM 1629 CA SER B 29 -20.583 -0.658 -12.837 1.00 0.00 C ATOM 1630 C SER B 29 -20.226 0.826 -12.881 1.00 0.00 C ATOM 1631 O SER B 29 -20.787 1.601 -13.655 1.00 0.00 O ATOM 1632 CB SER B 29 -21.337 -0.962 -11.556 1.00 0.00 C ATOM 1633 OG SER B 29 -21.612 -2.350 -11.430 1.00 0.00 O ATOM 0 H SER B 29 -19.131 -1.865 -11.974 1.00 0.00 H new ATOM 0 HA SER B 29 -21.207 -0.909 -13.695 1.00 0.00 H new ATOM 0 HB2 SER B 29 -20.751 -0.627 -10.700 1.00 0.00 H new ATOM 0 HB3 SER B 29 -22.272 -0.402 -11.541 1.00 0.00 H new ATOM 0 HG SER B 29 -21.536 -2.780 -12.308 1.00 0.00 H new ATOM 1639 N ASN B 30 -19.249 1.161 -12.061 1.00 0.00 N ATOM 1640 CA ASN B 30 -18.699 2.488 -11.853 1.00 0.00 C ATOM 1641 C ASN B 30 -19.787 3.525 -11.651 1.00 0.00 C ATOM 1642 O ASN B 30 -20.090 4.328 -12.536 1.00 0.00 O ATOM 1643 CB ASN B 30 -17.717 2.910 -12.950 1.00 0.00 C ATOM 1644 CG ASN B 30 -16.786 3.997 -12.459 1.00 0.00 C ATOM 1645 OD1 ASN B 30 -17.126 4.774 -11.562 1.00 0.00 O ATOM 1646 ND2 ASN B 30 -15.614 4.072 -13.024 1.00 0.00 N ATOM 0 H ASN B 30 -18.785 0.463 -11.480 1.00 0.00 H new ATOM 0 HA ASN B 30 -18.121 2.431 -10.931 1.00 0.00 H new ATOM 0 HB2 ASN B 30 -17.135 2.047 -13.273 1.00 0.00 H new ATOM 0 HB3 ASN B 30 -18.269 3.266 -13.820 1.00 0.00 H new ATOM 0 HD21 ASN B 30 -14.950 4.787 -12.727 1.00 0.00 H new ATOM 0 HD22 ASN B 30 -15.361 3.416 -13.763 1.00 0.00 H new ATOM 1653 N ALA B 31 -20.404 3.471 -10.501 1.00 0.00 N ATOM 1654 CA ALA B 31 -21.498 4.363 -10.172 1.00 0.00 C ATOM 1655 C ALA B 31 -21.034 5.821 -9.997 1.00 0.00 C ATOM 1656 O ALA B 31 -21.783 6.758 -10.277 1.00 0.00 O ATOM 1657 CB ALA B 31 -22.224 3.857 -8.939 1.00 0.00 C ATOM 0 H ALA B 31 -20.167 2.810 -9.762 1.00 0.00 H new ATOM 0 HA ALA B 31 -22.192 4.366 -11.012 1.00 0.00 H new ATOM 0 HB1 ALA B 31 -23.045 4.532 -8.697 1.00 0.00 H new ATOM 0 HB2 ALA B 31 -22.619 2.860 -9.133 1.00 0.00 H new ATOM 0 HB3 ALA B 31 -21.530 3.815 -8.100 1.00 0.00 H new ATOM 1663 N LEU B 32 -19.784 6.010 -9.583 1.00 0.00 N ATOM 1664 CA LEU B 32 -19.258 7.363 -9.338 1.00 0.00 C ATOM 1665 C LEU B 32 -18.726 7.999 -10.605 1.00 0.00 C ATOM 1666 O LEU B 32 -18.598 9.220 -10.686 1.00 0.00 O ATOM 1667 CB LEU B 32 -18.106 7.359 -8.305 1.00 0.00 C ATOM 1668 CG LEU B 32 -18.416 7.010 -6.843 1.00 0.00 C ATOM 1669 CD1 LEU B 32 -19.514 7.884 -6.269 1.00 0.00 C ATOM 1670 CD2 LEU B 32 -18.696 5.534 -6.637 1.00 0.00 C ATOM 0 H LEU B 32 -19.118 5.257 -9.410 1.00 0.00 H new ATOM 0 HA LEU B 32 -20.102 7.936 -8.955 1.00 0.00 H new ATOM 0 HB2 LEU B 32 -17.351 6.656 -8.658 1.00 0.00 H new ATOM 0 HB3 LEU B 32 -17.650 8.349 -8.317 1.00 0.00 H new ATOM 0 HG LEU B 32 -17.508 7.228 -6.280 1.00 0.00 H new ATOM 0 HD11 LEU B 32 -19.700 7.601 -5.233 1.00 0.00 H new ATOM 0 HD12 LEU B 32 -19.206 8.929 -6.311 1.00 0.00 H new ATOM 0 HD13 LEU B 32 -20.426 7.751 -6.850 1.00 0.00 H new ATOM 0 HD21 LEU B 32 -18.908 5.347 -5.584 1.00 0.00 H new ATOM 0 HD22 LEU B 32 -19.556 5.239 -7.239 1.00 0.00 H new ATOM 0 HD23 LEU B 32 -17.825 4.953 -6.940 1.00 0.00 H new ATOM 1682 N GLY B 33 -18.446 7.188 -11.589 1.00 0.00 N ATOM 1683 CA GLY B 33 -17.833 7.677 -12.806 1.00 0.00 C ATOM 1684 C GLY B 33 -16.371 8.018 -12.565 1.00 0.00 C ATOM 1685 O GLY B 33 -15.807 8.907 -13.212 1.00 0.00 O ATOM 0 H GLY B 33 -18.630 6.185 -11.577 1.00 0.00 H new ATOM 0 HA2 GLY B 33 -17.913 6.923 -13.589 1.00 0.00 H new ATOM 0 HA3 GLY B 33 -18.365 8.560 -13.159 1.00 0.00 H new ATOM 1689 N LYS B 34 -15.769 7.293 -11.631 1.00 0.00 N ATOM 1690 CA LYS B 34 -14.397 7.519 -11.180 1.00 0.00 C ATOM 1691 C LYS B 34 -13.718 6.222 -10.986 1.00 0.00 C ATOM 1692 O LYS B 34 -14.343 5.201 -10.723 1.00 0.00 O ATOM 1693 CB LYS B 34 -14.363 8.301 -9.872 1.00 0.00 C ATOM 1694 CG LYS B 34 -14.925 9.704 -9.935 1.00 0.00 C ATOM 1695 CD LYS B 34 -14.873 10.357 -8.569 1.00 0.00 C ATOM 1696 CE LYS B 34 -15.284 11.812 -8.627 1.00 0.00 C ATOM 1697 NZ LYS B 34 -14.361 12.612 -9.457 1.00 0.00 N ATOM 0 H LYS B 34 -16.227 6.516 -11.155 1.00 0.00 H new ATOM 0 HA LYS B 34 -13.884 8.103 -11.945 1.00 0.00 H new ATOM 0 HB2 LYS B 34 -14.917 7.740 -9.120 1.00 0.00 H new ATOM 0 HB3 LYS B 34 -13.330 8.358 -9.530 1.00 0.00 H new ATOM 0 HG2 LYS B 34 -14.357 10.298 -10.651 1.00 0.00 H new ATOM 0 HG3 LYS B 34 -15.955 9.674 -10.292 1.00 0.00 H new ATOM 0 HD2 LYS B 34 -15.530 9.821 -7.884 1.00 0.00 H new ATOM 0 HD3 LYS B 34 -13.863 10.280 -8.167 1.00 0.00 H new ATOM 0 HE2 LYS B 34 -16.294 11.888 -9.030 1.00 0.00 H new ATOM 0 HE3 LYS B 34 -15.312 12.222 -7.617 1.00 0.00 H new ATOM 0 HZ1 LYS B 34 -14.481 13.621 -9.236 1.00 0.00 H new ATOM 0 HZ2 LYS B 34 -13.380 12.328 -9.258 1.00 0.00 H new ATOM 0 HZ3 LYS B 34 -14.570 12.451 -10.463 1.00 0.00 H new ATOM 1711 N LYS B 35 -12.454 6.260 -11.099 1.00 0.00 N ATOM 1712 CA LYS B 35 -11.681 5.100 -11.032 1.00 0.00 C ATOM 1713 C LYS B 35 -11.033 5.013 -9.679 1.00 0.00 C ATOM 1714 O LYS B 35 -10.013 5.649 -9.413 1.00 0.00 O ATOM 1715 CB LYS B 35 -10.664 5.129 -12.142 1.00 0.00 C ATOM 1716 CG LYS B 35 -10.125 3.794 -12.525 1.00 0.00 C ATOM 1717 CD LYS B 35 -11.169 2.963 -13.278 1.00 0.00 C ATOM 1718 CE LYS B 35 -10.622 1.609 -13.724 1.00 0.00 C ATOM 1719 NZ LYS B 35 -10.434 0.672 -12.598 1.00 0.00 N ATOM 0 H LYS B 35 -11.919 7.117 -11.243 1.00 0.00 H new ATOM 0 HA LYS B 35 -12.300 4.212 -11.161 1.00 0.00 H new ATOM 0 HB2 LYS B 35 -11.117 5.589 -13.020 1.00 0.00 H new ATOM 0 HB3 LYS B 35 -9.834 5.768 -11.840 1.00 0.00 H new ATOM 0 HG2 LYS B 35 -9.241 3.923 -13.150 1.00 0.00 H new ATOM 0 HG3 LYS B 35 -9.808 3.258 -11.630 1.00 0.00 H new ATOM 0 HD2 LYS B 35 -12.037 2.808 -12.638 1.00 0.00 H new ATOM 0 HD3 LYS B 35 -11.512 3.519 -14.151 1.00 0.00 H new ATOM 0 HE2 LYS B 35 -11.305 1.167 -14.449 1.00 0.00 H new ATOM 0 HE3 LYS B 35 -9.669 1.756 -14.232 1.00 0.00 H new ATOM 0 HZ1 LYS B 35 -10.175 -0.266 -12.966 1.00 0.00 H new ATOM 0 HZ2 LYS B 35 -9.676 1.022 -11.978 1.00 0.00 H new ATOM 0 HZ3 LYS B 35 -11.318 0.599 -12.056 1.00 0.00 H new ATOM 1733 N PHE B 36 -11.681 4.287 -8.815 1.00 0.00 N ATOM 1734 CA PHE B 36 -11.200 4.075 -7.480 1.00 0.00 C ATOM 1735 C PHE B 36 -10.081 3.086 -7.472 1.00 0.00 C ATOM 1736 O PHE B 36 -9.028 3.347 -6.934 1.00 0.00 O ATOM 1737 CB PHE B 36 -12.342 3.666 -6.518 1.00 0.00 C ATOM 1738 CG PHE B 36 -13.240 2.535 -6.985 1.00 0.00 C ATOM 1739 CD1 PHE B 36 -14.194 2.771 -7.957 1.00 0.00 C ATOM 1740 CD2 PHE B 36 -13.147 1.245 -6.446 1.00 0.00 C ATOM 1741 CE1 PHE B 36 -15.021 1.774 -8.386 1.00 0.00 C ATOM 1742 CE2 PHE B 36 -13.987 0.254 -6.888 1.00 0.00 C ATOM 1743 CZ PHE B 36 -14.912 0.519 -7.849 1.00 0.00 C ATOM 0 H PHE B 36 -12.565 3.821 -9.018 1.00 0.00 H new ATOM 0 HA PHE B 36 -10.806 5.022 -7.111 1.00 0.00 H new ATOM 0 HB2 PHE B 36 -11.900 3.380 -5.564 1.00 0.00 H new ATOM 0 HB3 PHE B 36 -12.963 4.542 -6.332 1.00 0.00 H new ATOM 0 HD1 PHE B 36 -14.286 3.759 -8.383 1.00 0.00 H new ATOM 0 HD2 PHE B 36 -12.414 1.031 -5.682 1.00 0.00 H new ATOM 0 HE1 PHE B 36 -15.760 1.974 -9.148 1.00 0.00 H new ATOM 0 HE2 PHE B 36 -13.913 -0.740 -6.471 1.00 0.00 H new ATOM 0 HZ PHE B 36 -15.567 -0.268 -8.192 1.00 0.00 H new ATOM 1753 N ILE B 37 -10.300 1.986 -8.111 1.00 0.00 N ATOM 1754 CA ILE B 37 -9.321 0.965 -8.178 1.00 0.00 C ATOM 1755 C ILE B 37 -8.403 1.244 -9.357 1.00 0.00 C ATOM 1756 O ILE B 37 -8.837 1.260 -10.511 1.00 0.00 O ATOM 1757 CB ILE B 37 -10.017 -0.461 -8.188 1.00 0.00 C ATOM 1758 CG1 ILE B 37 -9.086 -1.690 -8.232 1.00 0.00 C ATOM 1759 CG2 ILE B 37 -11.100 -0.600 -9.222 1.00 0.00 C ATOM 1760 CD1 ILE B 37 -8.380 -1.927 -9.550 1.00 0.00 C ATOM 0 H ILE B 37 -11.168 1.773 -8.602 1.00 0.00 H new ATOM 0 HA ILE B 37 -8.686 0.958 -7.292 1.00 0.00 H new ATOM 0 HB ILE B 37 -10.467 -0.474 -7.195 1.00 0.00 H new ATOM 0 HG12 ILE B 37 -8.333 -1.582 -7.451 1.00 0.00 H new ATOM 0 HG13 ILE B 37 -9.672 -2.577 -7.989 1.00 0.00 H new ATOM 0 HG21 ILE B 37 -11.528 -1.601 -9.168 1.00 0.00 H new ATOM 0 HG22 ILE B 37 -11.879 0.139 -9.034 1.00 0.00 H new ATOM 0 HG23 ILE B 37 -10.679 -0.439 -10.214 1.00 0.00 H new ATOM 0 HD11 ILE B 37 -7.752 -2.814 -9.472 1.00 0.00 H new ATOM 0 HD12 ILE B 37 -9.119 -2.074 -10.337 1.00 0.00 H new ATOM 0 HD13 ILE B 37 -7.760 -1.064 -9.791 1.00 0.00 H new ATOM 1772 N ILE B 38 -7.175 1.584 -9.046 1.00 0.00 N ATOM 1773 CA ILE B 38 -6.162 1.819 -10.067 1.00 0.00 C ATOM 1774 C ILE B 38 -5.539 0.491 -10.457 1.00 0.00 C ATOM 1775 O ILE B 38 -5.392 0.165 -11.646 1.00 0.00 O ATOM 1776 CB ILE B 38 -5.032 2.825 -9.611 1.00 0.00 C ATOM 1777 CG1 ILE B 38 -5.519 4.295 -9.544 1.00 0.00 C ATOM 1778 CG2 ILE B 38 -3.792 2.714 -10.493 1.00 0.00 C ATOM 1779 CD1 ILE B 38 -6.488 4.614 -8.424 1.00 0.00 C ATOM 0 H ILE B 38 -6.844 1.707 -8.089 1.00 0.00 H new ATOM 0 HA ILE B 38 -6.662 2.283 -10.917 1.00 0.00 H new ATOM 0 HB ILE B 38 -4.765 2.530 -8.596 1.00 0.00 H new ATOM 0 HG12 ILE B 38 -4.648 4.943 -9.442 1.00 0.00 H new ATOM 0 HG13 ILE B 38 -5.993 4.545 -10.493 1.00 0.00 H new ATOM 0 HG21 ILE B 38 -3.037 3.421 -10.149 1.00 0.00 H new ATOM 0 HG22 ILE B 38 -3.394 1.701 -10.435 1.00 0.00 H new ATOM 0 HG23 ILE B 38 -4.058 2.941 -11.525 1.00 0.00 H new ATOM 0 HD11 ILE B 38 -6.763 5.668 -8.470 1.00 0.00 H new ATOM 0 HD12 ILE B 38 -7.382 4.000 -8.531 1.00 0.00 H new ATOM 0 HD13 ILE B 38 -6.016 4.404 -7.464 1.00 0.00 H new ATOM 1791 N GLN B 39 -5.186 -0.275 -9.461 1.00 0.00 N ATOM 1792 CA GLN B 39 -4.614 -1.559 -9.683 1.00 0.00 C ATOM 1793 C GLN B 39 -4.992 -2.505 -8.576 1.00 0.00 C ATOM 1794 O GLN B 39 -5.256 -2.081 -7.434 1.00 0.00 O ATOM 1795 CB GLN B 39 -3.083 -1.506 -9.860 1.00 0.00 C ATOM 1796 CG GLN B 39 -2.328 -0.937 -8.685 1.00 0.00 C ATOM 1797 CD GLN B 39 -0.833 -1.171 -8.780 1.00 0.00 C ATOM 1798 OE1 GLN B 39 -0.100 -0.341 -9.300 1.00 0.00 O ATOM 1799 NE2 GLN B 39 -0.393 -2.340 -8.359 1.00 0.00 N ATOM 0 H GLN B 39 -5.290 -0.021 -8.479 1.00 0.00 H new ATOM 0 HA GLN B 39 -5.024 -1.931 -10.622 1.00 0.00 H new ATOM 0 HB2 GLN B 39 -2.719 -2.515 -10.053 1.00 0.00 H new ATOM 0 HB3 GLN B 39 -2.854 -0.910 -10.744 1.00 0.00 H new ATOM 0 HG2 GLN B 39 -2.520 0.134 -8.619 1.00 0.00 H new ATOM 0 HG3 GLN B 39 -2.704 -1.385 -7.765 1.00 0.00 H new ATOM 0 HE21 GLN B 39 -1.038 -3.004 -7.931 1.00 0.00 H new ATOM 0 HE22 GLN B 39 0.593 -2.581 -8.462 1.00 0.00 H new ATOM 1808 N ASP B 40 -5.071 -3.755 -8.924 1.00 0.00 N ATOM 1809 CA ASP B 40 -5.320 -4.812 -7.982 1.00 0.00 C ATOM 1810 C ASP B 40 -3.971 -5.196 -7.447 1.00 0.00 C ATOM 1811 O ASP B 40 -2.984 -5.180 -8.195 1.00 0.00 O ATOM 1812 CB ASP B 40 -5.966 -6.026 -8.661 1.00 0.00 C ATOM 1813 CG ASP B 40 -7.248 -5.697 -9.385 1.00 0.00 C ATOM 1814 OD1 ASP B 40 -8.325 -5.663 -8.756 1.00 0.00 O ATOM 1815 OD2 ASP B 40 -7.206 -5.478 -10.620 1.00 0.00 O ATOM 0 H ASP B 40 -4.963 -4.077 -9.886 1.00 0.00 H new ATOM 0 HA ASP B 40 -6.005 -4.483 -7.201 1.00 0.00 H new ATOM 0 HB2 ASP B 40 -5.258 -6.456 -9.369 1.00 0.00 H new ATOM 0 HB3 ASP B 40 -6.168 -6.789 -7.909 1.00 0.00 H new ATOM 1820 N ILE B 41 -3.883 -5.495 -6.199 1.00 0.00 N ATOM 1821 CA ILE B 41 -2.594 -5.739 -5.587 1.00 0.00 C ATOM 1822 C ILE B 41 -2.619 -6.940 -4.668 1.00 0.00 C ATOM 1823 O ILE B 41 -3.618 -7.237 -4.085 1.00 0.00 O ATOM 1824 CB ILE B 41 -2.102 -4.492 -4.784 1.00 0.00 C ATOM 1825 CG1 ILE B 41 -3.234 -3.493 -4.581 1.00 0.00 C ATOM 1826 CG2 ILE B 41 -0.930 -3.813 -5.446 1.00 0.00 C ATOM 1827 CD1 ILE B 41 -2.839 -2.295 -3.792 1.00 0.00 C ATOM 0 H ILE B 41 -4.680 -5.580 -5.569 1.00 0.00 H new ATOM 0 HA ILE B 41 -1.901 -5.941 -6.404 1.00 0.00 H new ATOM 0 HB ILE B 41 -1.769 -4.857 -3.812 1.00 0.00 H new ATOM 0 HG12 ILE B 41 -3.602 -3.171 -5.555 1.00 0.00 H new ATOM 0 HG13 ILE B 41 -4.062 -3.992 -4.077 1.00 0.00 H new ATOM 0 HG21 ILE B 41 -0.624 -2.953 -4.851 1.00 0.00 H new ATOM 0 HG22 ILE B 41 -0.099 -4.514 -5.523 1.00 0.00 H new ATOM 0 HG23 ILE B 41 -1.218 -3.480 -6.443 1.00 0.00 H new ATOM 0 HD11 ILE B 41 -3.696 -1.629 -3.688 1.00 0.00 H new ATOM 0 HD12 ILE B 41 -2.499 -2.606 -2.804 1.00 0.00 H new ATOM 0 HD13 ILE B 41 -2.032 -1.771 -4.305 1.00 0.00 H new ATOM 1839 N ASP B 42 -1.514 -7.664 -4.660 1.00 0.00 N ATOM 1840 CA ASP B 42 -1.171 -8.782 -3.738 1.00 0.00 C ATOM 1841 C ASP B 42 -2.269 -9.764 -3.426 1.00 0.00 C ATOM 1842 O ASP B 42 -2.312 -10.354 -2.340 1.00 0.00 O ATOM 1843 CB ASP B 42 -0.482 -8.316 -2.472 1.00 0.00 C ATOM 1844 CG ASP B 42 -1.197 -7.262 -1.656 1.00 0.00 C ATOM 1845 OD1 ASP B 42 -2.017 -7.614 -0.778 1.00 0.00 O ATOM 1846 OD2 ASP B 42 -0.915 -6.064 -1.851 1.00 0.00 O ATOM 0 H ASP B 42 -0.769 -7.491 -5.335 1.00 0.00 H new ATOM 0 HA ASP B 42 -0.460 -9.354 -4.335 1.00 0.00 H new ATOM 0 HB2 ASP B 42 -0.317 -9.185 -1.835 1.00 0.00 H new ATOM 0 HB3 ASP B 42 0.500 -7.928 -2.743 1.00 0.00 H new ATOM 1851 N ASP B 43 -3.116 -9.941 -4.386 1.00 0.00 N ATOM 1852 CA ASP B 43 -4.267 -10.879 -4.388 1.00 0.00 C ATOM 1853 C ASP B 43 -5.419 -10.367 -3.543 1.00 0.00 C ATOM 1854 O ASP B 43 -6.589 -10.396 -3.955 1.00 0.00 O ATOM 1855 CB ASP B 43 -3.842 -12.298 -3.937 1.00 0.00 C ATOM 1856 CG ASP B 43 -4.994 -13.247 -3.696 1.00 0.00 C ATOM 1857 OD1 ASP B 43 -5.519 -13.290 -2.568 1.00 0.00 O ATOM 1858 OD2 ASP B 43 -5.362 -13.999 -4.618 1.00 0.00 O ATOM 0 H ASP B 43 -3.047 -9.417 -5.259 1.00 0.00 H new ATOM 0 HA ASP B 43 -4.619 -10.943 -5.418 1.00 0.00 H new ATOM 0 HB2 ASP B 43 -3.187 -12.726 -4.696 1.00 0.00 H new ATOM 0 HB3 ASP B 43 -3.257 -12.215 -3.021 1.00 0.00 H new ATOM 1863 N THR B 44 -5.079 -9.818 -2.433 1.00 0.00 N ATOM 1864 CA THR B 44 -6.044 -9.429 -1.449 1.00 0.00 C ATOM 1865 C THR B 44 -6.214 -7.904 -1.389 1.00 0.00 C ATOM 1866 O THR B 44 -7.226 -7.400 -0.900 1.00 0.00 O ATOM 1867 CB THR B 44 -5.597 -9.974 -0.088 1.00 0.00 C ATOM 1868 OG1 THR B 44 -5.258 -11.374 -0.251 1.00 0.00 O ATOM 1869 CG2 THR B 44 -6.709 -9.863 0.943 1.00 0.00 C ATOM 0 H THR B 44 -4.113 -9.620 -2.172 1.00 0.00 H new ATOM 0 HA THR B 44 -7.014 -9.844 -1.721 1.00 0.00 H new ATOM 0 HB THR B 44 -4.743 -9.393 0.261 1.00 0.00 H new ATOM 0 HG1 THR B 44 -5.620 -11.701 -1.101 1.00 0.00 H new ATOM 0 HG21 THR B 44 -6.361 -10.258 1.898 1.00 0.00 H new ATOM 0 HG22 THR B 44 -6.990 -8.817 1.064 1.00 0.00 H new ATOM 0 HG23 THR B 44 -7.574 -10.435 0.608 1.00 0.00 H new ATOM 1877 N HIS B 45 -5.265 -7.174 -1.922 1.00 0.00 N ATOM 1878 CA HIS B 45 -5.328 -5.738 -1.868 1.00 0.00 C ATOM 1879 C HIS B 45 -5.933 -5.135 -3.107 1.00 0.00 C ATOM 1880 O HIS B 45 -5.986 -5.749 -4.188 1.00 0.00 O ATOM 1881 CB HIS B 45 -3.959 -5.111 -1.627 1.00 0.00 C ATOM 1882 CG HIS B 45 -3.656 -4.785 -0.218 1.00 0.00 C ATOM 1883 ND1 HIS B 45 -2.930 -5.565 0.601 1.00 0.00 N ATOM 1884 CD2 HIS B 45 -3.990 -3.727 0.495 1.00 0.00 C ATOM 1885 CE1 HIS B 45 -2.841 -5.013 1.776 1.00 0.00 C ATOM 1886 NE2 HIS B 45 -3.473 -3.878 1.739 1.00 0.00 N ATOM 0 H HIS B 45 -4.444 -7.550 -2.396 1.00 0.00 H new ATOM 0 HA HIS B 45 -5.978 -5.514 -1.022 1.00 0.00 H new ATOM 0 HB2 HIS B 45 -3.194 -5.793 -1.998 1.00 0.00 H new ATOM 0 HB3 HIS B 45 -3.886 -4.198 -2.218 1.00 0.00 H new ATOM 0 HD1 HIS B 45 -2.511 -6.458 0.340 1.00 0.00 H new ATOM 0 HD2 HIS B 45 -4.574 -2.887 0.148 1.00 0.00 H new ATOM 0 HE1 HIS B 45 -2.330 -5.426 2.633 1.00 0.00 H new ATOM 0 HE2 HIS B 45 -3.564 -3.217 2.510 1.00 0.00 H new ATOM 1895 N VAL B 46 -6.402 -3.947 -2.929 1.00 0.00 N ATOM 1896 CA VAL B 46 -6.894 -3.104 -3.965 1.00 0.00 C ATOM 1897 C VAL B 46 -6.361 -1.724 -3.698 1.00 0.00 C ATOM 1898 O VAL B 46 -6.234 -1.318 -2.529 1.00 0.00 O ATOM 1899 CB VAL B 46 -8.459 -3.140 -4.056 1.00 0.00 C ATOM 1900 CG1 VAL B 46 -9.035 -1.812 -4.547 1.00 0.00 C ATOM 1901 CG2 VAL B 46 -8.874 -4.257 -5.013 1.00 0.00 C ATOM 0 H VAL B 46 -6.455 -3.515 -2.007 1.00 0.00 H new ATOM 0 HA VAL B 46 -6.552 -3.452 -4.939 1.00 0.00 H new ATOM 0 HB VAL B 46 -8.852 -3.321 -3.056 1.00 0.00 H new ATOM 0 HG11 VAL B 46 -10.122 -1.882 -4.595 1.00 0.00 H new ATOM 0 HG12 VAL B 46 -8.753 -1.016 -3.858 1.00 0.00 H new ATOM 0 HG13 VAL B 46 -8.642 -1.589 -5.539 1.00 0.00 H new ATOM 0 HG21 VAL B 46 -9.961 -4.291 -5.083 1.00 0.00 H new ATOM 0 HG22 VAL B 46 -8.452 -4.066 -6.000 1.00 0.00 H new ATOM 0 HG23 VAL B 46 -8.505 -5.212 -4.639 1.00 0.00 H new ATOM 1911 N PHE B 47 -5.948 -1.053 -4.731 1.00 0.00 N ATOM 1912 CA PHE B 47 -5.434 0.260 -4.583 1.00 0.00 C ATOM 1913 C PHE B 47 -6.506 1.248 -4.948 1.00 0.00 C ATOM 1914 O PHE B 47 -7.035 1.208 -6.070 1.00 0.00 O ATOM 1915 CB PHE B 47 -4.250 0.481 -5.511 1.00 0.00 C ATOM 1916 CG PHE B 47 -3.545 1.748 -5.223 1.00 0.00 C ATOM 1917 CD1 PHE B 47 -3.920 2.919 -5.847 1.00 0.00 C ATOM 1918 CD2 PHE B 47 -2.520 1.775 -4.303 1.00 0.00 C ATOM 1919 CE1 PHE B 47 -3.286 4.092 -5.559 1.00 0.00 C ATOM 1920 CE2 PHE B 47 -1.877 2.941 -4.014 1.00 0.00 C ATOM 1921 CZ PHE B 47 -2.262 4.098 -4.642 1.00 0.00 C ATOM 0 H PHE B 47 -5.961 -1.403 -5.689 1.00 0.00 H new ATOM 0 HA PHE B 47 -5.113 0.393 -3.550 1.00 0.00 H new ATOM 0 HB2 PHE B 47 -3.553 -0.351 -5.413 1.00 0.00 H new ATOM 0 HB3 PHE B 47 -4.596 0.486 -6.544 1.00 0.00 H new ATOM 0 HD1 PHE B 47 -4.722 2.907 -6.570 1.00 0.00 H new ATOM 0 HD2 PHE B 47 -2.223 0.863 -3.806 1.00 0.00 H new ATOM 0 HE1 PHE B 47 -3.586 5.008 -6.047 1.00 0.00 H new ATOM 0 HE2 PHE B 47 -1.070 2.954 -3.296 1.00 0.00 H new ATOM 0 HZ PHE B 47 -1.755 5.024 -4.414 1.00 0.00 H new ATOM 1931 N VAL B 48 -6.803 2.121 -4.043 1.00 0.00 N ATOM 1932 CA VAL B 48 -7.725 3.181 -4.281 1.00 0.00 C ATOM 1933 C VAL B 48 -7.085 4.475 -3.851 1.00 0.00 C ATOM 1934 O VAL B 48 -6.461 4.540 -2.813 1.00 0.00 O ATOM 1935 CB VAL B 48 -9.116 2.953 -3.607 1.00 0.00 C ATOM 1936 CG1 VAL B 48 -8.995 2.618 -2.130 1.00 0.00 C ATOM 1937 CG2 VAL B 48 -10.004 4.168 -3.799 1.00 0.00 C ATOM 0 H VAL B 48 -6.406 2.118 -3.103 1.00 0.00 H new ATOM 0 HA VAL B 48 -7.944 3.218 -5.348 1.00 0.00 H new ATOM 0 HB VAL B 48 -9.572 2.093 -4.098 1.00 0.00 H new ATOM 0 HG11 VAL B 48 -9.989 2.469 -1.708 1.00 0.00 H new ATOM 0 HG12 VAL B 48 -8.410 1.706 -2.010 1.00 0.00 H new ATOM 0 HG13 VAL B 48 -8.500 3.438 -1.610 1.00 0.00 H new ATOM 0 HG21 VAL B 48 -10.969 3.992 -3.323 1.00 0.00 H new ATOM 0 HG22 VAL B 48 -9.530 5.040 -3.348 1.00 0.00 H new ATOM 0 HG23 VAL B 48 -10.152 4.346 -4.864 1.00 0.00 H new ATOM 1947 N ILE B 49 -7.189 5.483 -4.653 1.00 0.00 N ATOM 1948 CA ILE B 49 -6.507 6.720 -4.334 1.00 0.00 C ATOM 1949 C ILE B 49 -7.287 7.505 -3.269 1.00 0.00 C ATOM 1950 O ILE B 49 -8.529 7.496 -3.254 1.00 0.00 O ATOM 1951 CB ILE B 49 -6.194 7.567 -5.595 1.00 0.00 C ATOM 1952 CG1 ILE B 49 -5.138 8.643 -5.292 1.00 0.00 C ATOM 1953 CG2 ILE B 49 -7.455 8.171 -6.210 1.00 0.00 C ATOM 1954 CD1 ILE B 49 -4.769 9.504 -6.485 1.00 0.00 C ATOM 0 H ILE B 49 -7.726 5.489 -5.520 1.00 0.00 H new ATOM 0 HA ILE B 49 -5.536 6.466 -3.909 1.00 0.00 H new ATOM 0 HB ILE B 49 -5.775 6.892 -6.342 1.00 0.00 H new ATOM 0 HG12 ILE B 49 -5.509 9.287 -4.494 1.00 0.00 H new ATOM 0 HG13 ILE B 49 -4.238 8.157 -4.916 1.00 0.00 H new ATOM 0 HG21 ILE B 49 -7.187 8.755 -7.090 1.00 0.00 H new ATOM 0 HG22 ILE B 49 -8.137 7.372 -6.499 1.00 0.00 H new ATOM 0 HG23 ILE B 49 -7.942 8.817 -5.480 1.00 0.00 H new ATOM 0 HD11 ILE B 49 -4.019 10.237 -6.187 1.00 0.00 H new ATOM 0 HD12 ILE B 49 -4.365 8.874 -7.278 1.00 0.00 H new ATOM 0 HD13 ILE B 49 -5.657 10.021 -6.849 1.00 0.00 H new ATOM 1966 N ALA B 50 -6.563 8.189 -2.390 1.00 0.00 N ATOM 1967 CA ALA B 50 -7.170 8.842 -1.234 1.00 0.00 C ATOM 1968 C ALA B 50 -8.099 9.963 -1.615 1.00 0.00 C ATOM 1969 O ALA B 50 -9.056 10.264 -0.897 1.00 0.00 O ATOM 1970 CB ALA B 50 -6.122 9.353 -0.267 1.00 0.00 C ATOM 0 H ALA B 50 -5.552 8.306 -2.456 1.00 0.00 H new ATOM 0 HA ALA B 50 -7.764 8.073 -0.741 1.00 0.00 H new ATOM 0 HB1 ALA B 50 -6.612 9.833 0.580 1.00 0.00 H new ATOM 0 HB2 ALA B 50 -5.517 8.519 0.088 1.00 0.00 H new ATOM 0 HB3 ALA B 50 -5.482 10.076 -0.773 1.00 0.00 H new ATOM 1976 N GLU B 51 -7.835 10.542 -2.755 1.00 0.00 N ATOM 1977 CA GLU B 51 -8.567 11.683 -3.244 1.00 0.00 C ATOM 1978 C GLU B 51 -10.053 11.366 -3.425 1.00 0.00 C ATOM 1979 O GLU B 51 -10.912 12.219 -3.205 1.00 0.00 O ATOM 1980 CB GLU B 51 -7.966 12.156 -4.564 1.00 0.00 C ATOM 1981 CG GLU B 51 -6.453 12.364 -4.518 1.00 0.00 C ATOM 1982 CD GLU B 51 -5.994 13.236 -3.368 1.00 0.00 C ATOM 1983 OE1 GLU B 51 -6.277 14.465 -3.369 1.00 0.00 O ATOM 1984 OE2 GLU B 51 -5.355 12.704 -2.438 1.00 0.00 O ATOM 0 H GLU B 51 -7.093 10.230 -3.382 1.00 0.00 H new ATOM 0 HA GLU B 51 -8.487 12.477 -2.501 1.00 0.00 H new ATOM 0 HB2 GLU B 51 -8.199 11.426 -5.340 1.00 0.00 H new ATOM 0 HB3 GLU B 51 -8.443 13.092 -4.854 1.00 0.00 H new ATOM 0 HG2 GLU B 51 -5.964 11.393 -4.444 1.00 0.00 H new ATOM 0 HG3 GLU B 51 -6.128 12.814 -5.456 1.00 0.00 H new ATOM 1991 N LEU B 52 -10.358 10.145 -3.807 1.00 0.00 N ATOM 1992 CA LEU B 52 -11.735 9.764 -4.027 1.00 0.00 C ATOM 1993 C LEU B 52 -12.236 8.654 -3.106 1.00 0.00 C ATOM 1994 O LEU B 52 -13.353 8.223 -3.239 1.00 0.00 O ATOM 1995 CB LEU B 52 -12.012 9.463 -5.515 1.00 0.00 C ATOM 1996 CG LEU B 52 -11.026 8.543 -6.255 1.00 0.00 C ATOM 1997 CD1 LEU B 52 -10.989 7.146 -5.668 1.00 0.00 C ATOM 1998 CD2 LEU B 52 -11.376 8.479 -7.718 1.00 0.00 C ATOM 0 H LEU B 52 -9.676 9.404 -3.971 1.00 0.00 H new ATOM 0 HA LEU B 52 -12.325 10.637 -3.750 1.00 0.00 H new ATOM 0 HB2 LEU B 52 -13.004 9.018 -5.588 1.00 0.00 H new ATOM 0 HB3 LEU B 52 -12.048 10.413 -6.048 1.00 0.00 H new ATOM 0 HG LEU B 52 -10.031 8.972 -6.134 1.00 0.00 H new ATOM 0 HD11 LEU B 52 -10.278 6.536 -6.225 1.00 0.00 H new ATOM 0 HD12 LEU B 52 -10.682 7.198 -4.624 1.00 0.00 H new ATOM 0 HD13 LEU B 52 -11.981 6.698 -5.732 1.00 0.00 H new ATOM 0 HD21 LEU B 52 -10.672 7.825 -8.232 1.00 0.00 H new ATOM 0 HD22 LEU B 52 -12.386 8.087 -7.834 1.00 0.00 H new ATOM 0 HD23 LEU B 52 -11.324 9.479 -8.149 1.00 0.00 H new ATOM 2010 N VAL B 53 -11.434 8.215 -2.150 1.00 0.00 N ATOM 2011 CA VAL B 53 -11.879 7.126 -1.258 1.00 0.00 C ATOM 2012 C VAL B 53 -13.122 7.536 -0.458 1.00 0.00 C ATOM 2013 O VAL B 53 -13.931 6.699 -0.101 1.00 0.00 O ATOM 2014 CB VAL B 53 -10.766 6.518 -0.346 1.00 0.00 C ATOM 2015 CG1 VAL B 53 -10.286 7.504 0.679 1.00 0.00 C ATOM 2016 CG2 VAL B 53 -11.232 5.225 0.324 1.00 0.00 C ATOM 0 H VAL B 53 -10.498 8.574 -1.964 1.00 0.00 H new ATOM 0 HA VAL B 53 -12.150 6.307 -1.925 1.00 0.00 H new ATOM 0 HB VAL B 53 -9.924 6.276 -0.995 1.00 0.00 H new ATOM 0 HG11 VAL B 53 -9.513 7.043 1.293 1.00 0.00 H new ATOM 0 HG12 VAL B 53 -9.876 8.380 0.177 1.00 0.00 H new ATOM 0 HG13 VAL B 53 -11.120 7.806 1.312 1.00 0.00 H new ATOM 0 HG21 VAL B 53 -10.432 4.831 0.950 1.00 0.00 H new ATOM 0 HG22 VAL B 53 -12.108 5.430 0.940 1.00 0.00 H new ATOM 0 HG23 VAL B 53 -11.489 4.491 -0.440 1.00 0.00 H new ATOM 2026 N ASN B 54 -13.262 8.830 -0.188 1.00 0.00 N ATOM 2027 CA ASN B 54 -14.438 9.344 0.522 1.00 0.00 C ATOM 2028 C ASN B 54 -15.737 8.951 -0.187 1.00 0.00 C ATOM 2029 O ASN B 54 -16.721 8.623 0.470 1.00 0.00 O ATOM 2030 CB ASN B 54 -14.400 10.863 0.726 1.00 0.00 C ATOM 2031 CG ASN B 54 -13.174 11.338 1.478 1.00 0.00 C ATOM 2032 OD1 ASN B 54 -13.127 11.281 2.695 1.00 0.00 O ATOM 2033 ND2 ASN B 54 -12.227 11.914 0.770 1.00 0.00 N ATOM 0 H ASN B 54 -12.581 9.543 -0.447 1.00 0.00 H new ATOM 0 HA ASN B 54 -14.412 8.879 1.508 1.00 0.00 H new ATOM 0 HB2 ASN B 54 -14.433 11.354 -0.247 1.00 0.00 H new ATOM 0 HB3 ASN B 54 -15.293 11.172 1.270 1.00 0.00 H new ATOM 0 HD21 ASN B 54 -11.422 12.330 1.238 1.00 0.00 H new ATOM 0 HD22 ASN B 54 -12.297 11.944 -0.247 1.00 0.00 H new ATOM 2040 N VAL B 55 -15.724 8.908 -1.537 1.00 0.00 N ATOM 2041 CA VAL B 55 -16.920 8.501 -2.272 1.00 0.00 C ATOM 2042 C VAL B 55 -17.172 7.026 -2.058 1.00 0.00 C ATOM 2043 O VAL B 55 -18.294 6.569 -1.968 1.00 0.00 O ATOM 2044 CB VAL B 55 -16.929 8.856 -3.797 1.00 0.00 C ATOM 2045 CG1 VAL B 55 -16.734 10.318 -4.020 1.00 0.00 C ATOM 2046 CG2 VAL B 55 -15.934 8.067 -4.618 1.00 0.00 C ATOM 0 H VAL B 55 -14.919 9.144 -2.117 1.00 0.00 H new ATOM 0 HA VAL B 55 -17.734 9.094 -1.856 1.00 0.00 H new ATOM 0 HB VAL B 55 -17.920 8.567 -4.148 1.00 0.00 H new ATOM 0 HG11 VAL B 55 -16.746 10.528 -5.090 1.00 0.00 H new ATOM 0 HG12 VAL B 55 -17.537 10.871 -3.533 1.00 0.00 H new ATOM 0 HG13 VAL B 55 -15.776 10.625 -3.601 1.00 0.00 H new ATOM 0 HG21 VAL B 55 -16.002 8.371 -5.663 1.00 0.00 H new ATOM 0 HG22 VAL B 55 -14.926 8.258 -4.250 1.00 0.00 H new ATOM 0 HG23 VAL B 55 -16.156 7.003 -4.534 1.00 0.00 H new ATOM 2056 N LEU B 56 -16.110 6.305 -1.942 1.00 0.00 N ATOM 2057 CA LEU B 56 -16.152 4.896 -1.654 1.00 0.00 C ATOM 2058 C LEU B 56 -16.705 4.642 -0.277 1.00 0.00 C ATOM 2059 O LEU B 56 -17.437 3.714 -0.081 1.00 0.00 O ATOM 2060 CB LEU B 56 -14.770 4.260 -1.825 1.00 0.00 C ATOM 2061 CG LEU B 56 -14.442 3.729 -3.216 1.00 0.00 C ATOM 2062 CD1 LEU B 56 -15.274 2.518 -3.468 1.00 0.00 C ATOM 2063 CD2 LEU B 56 -14.731 4.761 -4.286 1.00 0.00 C ATOM 0 H LEU B 56 -15.166 6.677 -2.045 1.00 0.00 H new ATOM 0 HA LEU B 56 -16.824 4.426 -2.372 1.00 0.00 H new ATOM 0 HB2 LEU B 56 -14.016 4.999 -1.554 1.00 0.00 H new ATOM 0 HB3 LEU B 56 -14.680 3.438 -1.114 1.00 0.00 H new ATOM 0 HG LEU B 56 -13.379 3.489 -3.257 1.00 0.00 H new ATOM 0 HD11 LEU B 56 -15.052 2.124 -4.460 1.00 0.00 H new ATOM 0 HD12 LEU B 56 -15.049 1.760 -2.718 1.00 0.00 H new ATOM 0 HD13 LEU B 56 -16.330 2.783 -3.411 1.00 0.00 H new ATOM 0 HD21 LEU B 56 -14.486 4.349 -5.265 1.00 0.00 H new ATOM 0 HD22 LEU B 56 -15.788 5.027 -4.259 1.00 0.00 H new ATOM 0 HD23 LEU B 56 -14.128 5.651 -4.106 1.00 0.00 H new ATOM 2075 N GLN B 57 -16.383 5.506 0.657 1.00 0.00 N ATOM 2076 CA GLN B 57 -16.860 5.366 2.032 1.00 0.00 C ATOM 2077 C GLN B 57 -18.341 5.490 2.077 1.00 0.00 C ATOM 2078 O GLN B 57 -19.036 4.691 2.726 1.00 0.00 O ATOM 2079 CB GLN B 57 -16.218 6.414 2.934 1.00 0.00 C ATOM 2080 CG GLN B 57 -14.716 6.366 2.899 1.00 0.00 C ATOM 2081 CD GLN B 57 -14.169 5.023 3.292 1.00 0.00 C ATOM 2082 OE1 GLN B 57 -14.219 4.111 2.376 1.00 0.00 O flip ATOM 2083 NE2 GLN B 57 -13.831 4.784 4.441 1.00 0.00 N flip ATOM 0 H GLN B 57 -15.790 6.321 0.498 1.00 0.00 H new ATOM 0 HA GLN B 57 -16.577 4.378 2.395 1.00 0.00 H new ATOM 0 HB2 GLN B 57 -16.553 7.405 2.629 1.00 0.00 H new ATOM 0 HB3 GLN B 57 -16.559 6.264 3.958 1.00 0.00 H new ATOM 0 HG2 GLN B 57 -14.372 6.614 1.895 1.00 0.00 H new ATOM 0 HG3 GLN B 57 -14.317 7.127 3.570 1.00 0.00 H new ATOM 0 HE21 GLN B 57 -13.806 5.534 5.132 1.00 0.00 H new ATOM 0 HE22 GLN B 57 -13.574 3.834 4.710 1.00 0.00 H new ATOM 2092 N GLU B 58 -18.840 6.457 1.360 1.00 0.00 N ATOM 2093 CA GLU B 58 -20.239 6.670 1.356 1.00 0.00 C ATOM 2094 C GLU B 58 -20.974 5.588 0.583 1.00 0.00 C ATOM 2095 O GLU B 58 -21.967 5.062 1.047 1.00 0.00 O ATOM 2096 CB GLU B 58 -20.638 8.079 0.900 1.00 0.00 C ATOM 2097 CG GLU B 58 -20.058 8.483 -0.450 1.00 0.00 C ATOM 2098 CD GLU B 58 -20.352 9.903 -0.862 1.00 0.00 C ATOM 2099 OE1 GLU B 58 -19.821 10.834 -0.232 1.00 0.00 O ATOM 2100 OE2 GLU B 58 -21.080 10.124 -1.857 1.00 0.00 O ATOM 0 H GLU B 58 -18.297 7.098 0.781 1.00 0.00 H new ATOM 0 HA GLU B 58 -20.556 6.597 2.396 1.00 0.00 H new ATOM 0 HB2 GLU B 58 -21.725 8.139 0.849 1.00 0.00 H new ATOM 0 HB3 GLU B 58 -20.314 8.798 1.652 1.00 0.00 H new ATOM 0 HG2 GLU B 58 -18.977 8.343 -0.422 1.00 0.00 H new ATOM 0 HG3 GLU B 58 -20.447 7.809 -1.214 1.00 0.00 H new ATOM 2107 N ARG B 59 -20.462 5.226 -0.573 1.00 0.00 N ATOM 2108 CA ARG B 59 -21.144 4.252 -1.393 1.00 0.00 C ATOM 2109 C ARG B 59 -21.056 2.843 -0.807 1.00 0.00 C ATOM 2110 O ARG B 59 -22.042 2.136 -0.762 1.00 0.00 O ATOM 2111 CB ARG B 59 -20.703 4.304 -2.859 1.00 0.00 C ATOM 2112 CG ARG B 59 -20.788 5.705 -3.466 1.00 0.00 C ATOM 2113 CD ARG B 59 -22.178 6.323 -3.373 1.00 0.00 C ATOM 2114 NE ARG B 59 -22.119 7.790 -3.412 1.00 0.00 N ATOM 2115 CZ ARG B 59 -22.945 8.596 -4.077 1.00 0.00 C ATOM 2116 NH1 ARG B 59 -23.765 8.130 -5.017 1.00 0.00 N ATOM 2117 NH2 ARG B 59 -22.914 9.881 -3.813 1.00 0.00 N ATOM 0 H ARG B 59 -19.590 5.585 -0.961 1.00 0.00 H new ATOM 0 HA ARG B 59 -22.199 4.527 -1.385 1.00 0.00 H new ATOM 0 HB2 ARG B 59 -19.677 3.944 -2.936 1.00 0.00 H new ATOM 0 HB3 ARG B 59 -21.324 3.624 -3.443 1.00 0.00 H new ATOM 0 HG2 ARG B 59 -20.075 6.356 -2.960 1.00 0.00 H new ATOM 0 HG3 ARG B 59 -20.489 5.658 -4.513 1.00 0.00 H new ATOM 0 HD2 ARG B 59 -22.794 5.961 -4.196 1.00 0.00 H new ATOM 0 HD3 ARG B 59 -22.659 6.002 -2.449 1.00 0.00 H new ATOM 0 HE ARG B 59 -21.373 8.235 -2.878 1.00 0.00 H new ATOM 0 HH11 ARG B 59 -23.770 7.135 -5.242 1.00 0.00 H new ATOM 0 HH12 ARG B 59 -24.388 8.768 -5.512 1.00 0.00 H new ATOM 0 HH21 ARG B 59 -22.267 10.242 -3.112 1.00 0.00 H new ATOM 0 HH22 ARG B 59 -23.537 10.519 -4.309 1.00 0.00 H new ATOM 2131 N VAL B 60 -19.903 2.462 -0.311 1.00 0.00 N ATOM 2132 CA VAL B 60 -19.751 1.137 0.282 1.00 0.00 C ATOM 2133 C VAL B 60 -20.632 1.005 1.535 1.00 0.00 C ATOM 2134 O VAL B 60 -21.166 -0.066 1.824 1.00 0.00 O ATOM 2135 CB VAL B 60 -18.248 0.792 0.585 1.00 0.00 C ATOM 2136 CG1 VAL B 60 -18.110 -0.528 1.345 1.00 0.00 C ATOM 2137 CG2 VAL B 60 -17.475 0.693 -0.726 1.00 0.00 C ATOM 0 H VAL B 60 -19.060 3.036 -0.301 1.00 0.00 H new ATOM 0 HA VAL B 60 -20.091 0.404 -0.450 1.00 0.00 H new ATOM 0 HB VAL B 60 -17.844 1.589 1.210 1.00 0.00 H new ATOM 0 HG11 VAL B 60 -17.056 -0.730 1.535 1.00 0.00 H new ATOM 0 HG12 VAL B 60 -18.643 -0.459 2.293 1.00 0.00 H new ATOM 0 HG13 VAL B 60 -18.533 -1.337 0.749 1.00 0.00 H new ATOM 0 HG21 VAL B 60 -16.432 0.454 -0.516 1.00 0.00 H new ATOM 0 HG22 VAL B 60 -17.910 -0.091 -1.346 1.00 0.00 H new ATOM 0 HG23 VAL B 60 -17.530 1.645 -1.253 1.00 0.00 H new ATOM 2147 N GLY B 61 -20.823 2.094 2.245 1.00 0.00 N ATOM 2148 CA GLY B 61 -21.666 2.034 3.396 1.00 0.00 C ATOM 2149 C GLY B 61 -23.157 2.175 3.088 1.00 0.00 C ATOM 2150 O GLY B 61 -23.959 1.275 3.405 1.00 0.00 O ATOM 0 H GLY B 61 -20.413 3.007 2.045 1.00 0.00 H new ATOM 0 HA2 GLY B 61 -21.500 1.085 3.905 1.00 0.00 H new ATOM 0 HA3 GLY B 61 -21.373 2.823 4.089 1.00 0.00 H new