USER MOD reduce.3.24.130724 H: found=0, std=0, add=1148, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 1153 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: B 39 GLN : amide:sc= 0.692 K(o=1.3,f=-5.7!) USER MOD Set 1.2: B 40 LYS NZ :NH3+ -169:sc= 0.618 (180deg=-0.381) USER MOD Set 2.1: A 82 MET CE :methyl -172:sc= 0 (180deg=-0.021) USER MOD Set 2.2: B 27 HIS : no HE2:sc= -0.0476 K(o=-0.048,f=-1.2) USER MOD Set 3.1: A 39 GLN : amide:sc= 0.666 K(o=1.4,f=-4!) USER MOD Set 3.2: A 40 LYS NZ :NH3+ -171:sc= 0.703 (180deg=-0.143) USER MOD Single : A 3 SER OG : rot -170:sc= 0.133 USER MOD Single : A 7 GLN : amide:sc= 0.846 K(o=0.85,f=-0.032) USER MOD Single : A 17 HIS : no HE2:sc= 0.413 K(o=0.41,f=-3.1!) USER MOD Single : A 18 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.019) USER MOD Single : A 19 TYR OH : rot -7:sc= 0.00643 USER MOD Single : A 20 SER OG : rot 177:sc= 0.858 USER MOD Single : A 28 THR OG1 : rot -36:sc= 0.54 USER MOD Single : A 30 SER OG : rot 180:sc= 0.57 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.0346) USER MOD Single : A 55 LYS NZ :NH3+ 160:sc= -0.0195 (180deg=-0.225) USER MOD Single : A 57 MET CE :methyl -115:sc= -0.235 (180deg=-1.31) USER MOD Single : A 69 ASN : amide:sc= -0.449 K(o=-0.45,f=-9.1!) USER MOD Single : A 71 GLN : amide:sc= -0.675 K(o=-0.67,f=-3.3!) USER MOD Single : A 73 TYR OH : rot 157:sc= 1.06 USER MOD Single : A 75 THR OG1 : rot 68:sc= 1.18 USER MOD Single : A 84 TYR OH : rot 33:sc= 1.18 USER MOD Single : A 85 ASN : amide:sc= 0.928 K(o=0.93,f=0) USER MOD Single : B 3 SER OG : rot 180:sc= 0.00474 USER MOD Single : B 7 GLN : amide:sc= -0.12 X(o=-0.12,f=-0.12) USER MOD Single : B 17 HIS : no HE2:sc= 0.107 K(o=0.11,f=-3.1!) USER MOD Single : B 18 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00699) USER MOD Single : B 19 TYR OH : rot 13:sc= 1.26 USER MOD Single : B 20 SER OG : rot 172:sc= 2.03 USER MOD Single : B 28 THR OG1 : rot 180:sc= 0 USER MOD Single : B 30 SER OG : rot 73:sc= 0.984 USER MOD Single : B 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 32 LYS NZ :NH3+ -168:sc= 0.775 (180deg=0.645) USER MOD Single : B 35 LYS NZ :NH3+ 180:sc= -0.0819 (180deg=-0.0819) USER MOD Single : B 55 LYS NZ :NH3+ 159:sc= -0.0425 (180deg=-0.305) USER MOD Single : B 57 MET CE :methyl 147:sc= -0.333 (180deg=-0.952) USER MOD Single : B 63 ASN : amide:sc= 0.299 K(o=0.3,f=-1.7) USER MOD Single : B 69 ASN : amide:sc= -0.165 K(o=-0.16,f=-7.7!) USER MOD Single : B 71 GLN : amide:sc= -0.149 K(o=-0.15,f=-2.4!) USER MOD Single : B 73 TYR OH : rot 156:sc= 1.13 USER MOD Single : B 75 THR OG1 : rot 62:sc= 1.18 USER MOD Single : B 82 MET CE :methyl 175:sc= 0 (180deg=-0.0357) USER MOD Single : B 84 TYR OH : rot 180:sc= -0.148 USER MOD Single : B 85 ASN : amide:sc= 1.02 K(o=1,f=-0.015) USER MOD ----------------------------------------------------------------- ATOM 20 N ALA A 2 -6.923 -6.853 -9.416 1.00 0.00 N ATOM 21 CA ALA A 2 -6.824 -5.719 -8.509 1.00 0.00 C ATOM 22 C ALA A 2 -7.798 -5.870 -7.338 1.00 0.00 C ATOM 23 O ALA A 2 -8.870 -5.268 -7.327 1.00 0.00 O ATOM 24 CB ALA A 2 -7.055 -4.412 -9.275 1.00 0.00 C ATOM 0 HA ALA A 2 -5.819 -5.690 -8.088 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -6.979 -3.569 -8.588 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -6.303 -4.311 -10.058 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -8.048 -4.425 -9.725 1.00 0.00 H new ATOM 30 N SER A 3 -7.419 -6.672 -6.342 1.00 0.00 N ATOM 31 CA SER A 3 -8.150 -6.820 -5.094 1.00 0.00 C ATOM 32 C SER A 3 -8.369 -5.454 -4.414 1.00 0.00 C ATOM 33 O SER A 3 -7.628 -4.510 -4.698 1.00 0.00 O ATOM 34 CB SER A 3 -7.340 -7.745 -4.179 1.00 0.00 C ATOM 35 OG SER A 3 -6.509 -8.620 -4.920 1.00 0.00 O ATOM 0 H SER A 3 -6.577 -7.246 -6.387 1.00 0.00 H new ATOM 0 HA SER A 3 -9.134 -7.245 -5.293 1.00 0.00 H new ATOM 0 HB2 SER A 3 -6.728 -7.145 -3.506 1.00 0.00 H new ATOM 0 HB3 SER A 3 -8.020 -8.328 -3.558 1.00 0.00 H new ATOM 0 HG SER A 3 -6.129 -9.296 -4.321 1.00 0.00 H new ATOM 41 N PRO A 4 -9.321 -5.332 -3.472 1.00 0.00 N ATOM 42 CA PRO A 4 -9.560 -4.094 -2.740 1.00 0.00 C ATOM 43 C PRO A 4 -8.271 -3.492 -2.174 1.00 0.00 C ATOM 44 O PRO A 4 -7.994 -2.310 -2.380 1.00 0.00 O ATOM 45 CB PRO A 4 -10.566 -4.443 -1.639 1.00 0.00 C ATOM 46 CG PRO A 4 -11.325 -5.630 -2.234 1.00 0.00 C ATOM 47 CD PRO A 4 -10.249 -6.365 -3.036 1.00 0.00 C ATOM 0 HA PRO A 4 -9.954 -3.322 -3.402 1.00 0.00 H new ATOM 0 HB2 PRO A 4 -10.068 -4.708 -0.706 1.00 0.00 H new ATOM 0 HB3 PRO A 4 -11.231 -3.607 -1.419 1.00 0.00 H new ATOM 0 HG2 PRO A 4 -11.753 -6.265 -1.458 1.00 0.00 H new ATOM 0 HG3 PRO A 4 -12.149 -5.304 -2.869 1.00 0.00 H new ATOM 0 HD2 PRO A 4 -9.745 -7.113 -2.424 1.00 0.00 H new ATOM 0 HD3 PRO A 4 -10.683 -6.889 -3.888 1.00 0.00 H new ATOM 55 N LEU A 5 -7.460 -4.310 -1.490 1.00 0.00 N ATOM 56 CA LEU A 5 -6.169 -3.847 -1.001 1.00 0.00 C ATOM 57 C LEU A 5 -5.295 -3.354 -2.148 1.00 0.00 C ATOM 58 O LEU A 5 -4.680 -2.305 -2.016 1.00 0.00 O ATOM 59 CB LEU A 5 -5.410 -4.937 -0.227 1.00 0.00 C ATOM 60 CG LEU A 5 -5.516 -4.874 1.301 1.00 0.00 C ATOM 61 CD1 LEU A 5 -4.505 -5.876 1.878 1.00 0.00 C ATOM 62 CD2 LEU A 5 -5.186 -3.489 1.881 1.00 0.00 C ATOM 0 H LEU A 5 -7.677 -5.282 -1.268 1.00 0.00 H new ATOM 0 HA LEU A 5 -6.380 -3.025 -0.317 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -5.775 -5.910 -0.557 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -4.356 -4.882 -0.501 1.00 0.00 H new ATOM 0 HG LEU A 5 -6.548 -5.101 1.568 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -4.554 -5.857 2.967 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -4.742 -6.878 1.522 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -3.500 -5.605 1.556 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -5.281 -3.517 2.966 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -4.165 -3.216 1.613 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -5.877 -2.750 1.475 1.00 0.00 H new ATOM 74 N ASP A 6 -5.213 -4.093 -3.257 1.00 0.00 N ATOM 75 CA ASP A 6 -4.372 -3.694 -4.378 1.00 0.00 C ATOM 76 C ASP A 6 -4.791 -2.311 -4.871 1.00 0.00 C ATOM 77 O ASP A 6 -3.945 -1.445 -5.070 1.00 0.00 O ATOM 78 CB ASP A 6 -4.434 -4.724 -5.508 1.00 0.00 C ATOM 79 CG ASP A 6 -3.544 -4.303 -6.673 1.00 0.00 C ATOM 80 OD1 ASP A 6 -2.329 -4.584 -6.589 1.00 0.00 O ATOM 81 OD2 ASP A 6 -4.098 -3.707 -7.622 1.00 0.00 O ATOM 0 H ASP A 6 -5.719 -4.967 -3.399 1.00 0.00 H new ATOM 0 HA ASP A 6 -3.337 -3.646 -4.039 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -4.117 -5.698 -5.136 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -5.463 -4.833 -5.851 1.00 0.00 H new ATOM 86 N GLN A 7 -6.098 -2.091 -5.034 1.00 0.00 N ATOM 87 CA GLN A 7 -6.618 -0.794 -5.440 1.00 0.00 C ATOM 88 C GLN A 7 -6.265 0.288 -4.411 1.00 0.00 C ATOM 89 O GLN A 7 -5.804 1.368 -4.784 1.00 0.00 O ATOM 90 CB GLN A 7 -8.131 -0.897 -5.680 1.00 0.00 C ATOM 91 CG GLN A 7 -8.799 0.438 -6.048 1.00 0.00 C ATOM 92 CD GLN A 7 -8.237 1.070 -7.320 1.00 0.00 C ATOM 93 OE1 GLN A 7 -8.801 0.911 -8.397 1.00 0.00 O ATOM 94 NE2 GLN A 7 -7.133 1.805 -7.216 1.00 0.00 N ATOM 0 H GLN A 7 -6.815 -2.802 -4.889 1.00 0.00 H new ATOM 0 HA GLN A 7 -6.148 -0.495 -6.377 1.00 0.00 H new ATOM 0 HB2 GLN A 7 -8.313 -1.615 -6.479 1.00 0.00 H new ATOM 0 HB3 GLN A 7 -8.605 -1.293 -4.782 1.00 0.00 H new ATOM 0 HG2 GLN A 7 -9.870 0.277 -6.174 1.00 0.00 H new ATOM 0 HG3 GLN A 7 -8.677 1.137 -5.220 1.00 0.00 H new ATOM 0 HE21 GLN A 7 -6.682 1.922 -6.309 1.00 0.00 H new ATOM 0 HE22 GLN A 7 -6.738 2.251 -8.044 1.00 0.00 H new ATOM 103 N ALA A 8 -6.515 0.034 -3.125 1.00 0.00 N ATOM 104 CA ALA A 8 -6.308 1.021 -2.069 1.00 0.00 C ATOM 105 C ALA A 8 -4.824 1.379 -1.918 1.00 0.00 C ATOM 106 O ALA A 8 -4.447 2.550 -1.862 1.00 0.00 O ATOM 107 CB ALA A 8 -6.888 0.468 -0.771 1.00 0.00 C ATOM 0 H ALA A 8 -6.867 -0.862 -2.789 1.00 0.00 H new ATOM 0 HA ALA A 8 -6.820 1.947 -2.329 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -6.742 1.192 0.030 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -7.954 0.279 -0.900 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -6.383 -0.463 -0.514 1.00 0.00 H new ATOM 113 N ILE A 9 -3.967 0.360 -1.880 1.00 0.00 N ATOM 114 CA ILE A 9 -2.522 0.512 -1.943 1.00 0.00 C ATOM 115 C ILE A 9 -2.189 1.335 -3.187 1.00 0.00 C ATOM 116 O ILE A 9 -1.529 2.362 -3.077 1.00 0.00 O ATOM 117 CB ILE A 9 -1.847 -0.874 -1.937 1.00 0.00 C ATOM 118 CG1 ILE A 9 -1.998 -1.520 -0.547 1.00 0.00 C ATOM 119 CG2 ILE A 9 -0.366 -0.779 -2.321 1.00 0.00 C ATOM 120 CD1 ILE A 9 -1.655 -3.013 -0.553 1.00 0.00 C ATOM 0 H ILE A 9 -4.268 -0.612 -1.803 1.00 0.00 H new ATOM 0 HA ILE A 9 -2.138 1.041 -1.071 1.00 0.00 H new ATOM 0 HB ILE A 9 -2.342 -1.497 -2.682 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -1.350 -1.005 0.162 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -3.022 -1.387 -0.198 1.00 0.00 H new ATOM 0 HG21 ILE A 9 0.078 -1.774 -2.306 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -0.276 -0.356 -3.322 1.00 0.00 H new ATOM 0 HG23 ILE A 9 0.154 -0.139 -1.608 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -1.778 -3.419 0.451 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -2.320 -3.536 -1.240 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -0.622 -3.148 -0.875 1.00 0.00 H new ATOM 132 N GLY A 10 -2.679 0.910 -4.354 1.00 0.00 N ATOM 133 CA GLY A 10 -2.534 1.612 -5.620 1.00 0.00 C ATOM 134 C GLY A 10 -2.836 3.103 -5.480 1.00 0.00 C ATOM 135 O GLY A 10 -2.060 3.936 -5.941 1.00 0.00 O ATOM 0 H GLY A 10 -3.203 0.039 -4.441 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -1.519 1.480 -5.994 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -3.205 1.173 -6.358 1.00 0.00 H new ATOM 139 N LEU A 11 -3.946 3.445 -4.824 1.00 0.00 N ATOM 140 CA LEU A 11 -4.285 4.821 -4.494 1.00 0.00 C ATOM 141 C LEU A 11 -3.158 5.487 -3.689 1.00 0.00 C ATOM 142 O LEU A 11 -2.635 6.511 -4.120 1.00 0.00 O ATOM 143 CB LEU A 11 -5.648 4.871 -3.781 1.00 0.00 C ATOM 144 CG LEU A 11 -6.809 5.025 -4.776 1.00 0.00 C ATOM 145 CD1 LEU A 11 -8.089 4.364 -4.251 1.00 0.00 C ATOM 146 CD2 LEU A 11 -7.090 6.514 -5.006 1.00 0.00 C ATOM 0 H LEU A 11 -4.637 2.766 -4.506 1.00 0.00 H new ATOM 0 HA LEU A 11 -4.382 5.400 -5.412 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -5.787 3.960 -3.199 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -5.660 5.704 -3.078 1.00 0.00 H new ATOM 0 HG LEU A 11 -6.518 4.537 -5.706 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -8.890 4.492 -4.979 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -7.910 3.301 -4.091 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -8.378 4.829 -3.309 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -7.913 6.624 -5.712 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -7.358 6.984 -4.060 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -6.199 6.994 -5.410 1.00 0.00 H new ATOM 158 N LEU A 12 -2.760 4.932 -2.539 1.00 0.00 N ATOM 159 CA LEU A 12 -1.705 5.539 -1.714 1.00 0.00 C ATOM 160 C LEU A 12 -0.391 5.710 -2.497 1.00 0.00 C ATOM 161 O LEU A 12 0.250 6.764 -2.409 1.00 0.00 O ATOM 162 CB LEU A 12 -1.494 4.753 -0.405 1.00 0.00 C ATOM 163 CG LEU A 12 -2.402 5.239 0.742 1.00 0.00 C ATOM 164 CD1 LEU A 12 -3.885 5.083 0.416 1.00 0.00 C ATOM 165 CD2 LEU A 12 -2.116 4.455 2.028 1.00 0.00 C ATOM 0 H LEU A 12 -3.148 4.069 -2.159 1.00 0.00 H new ATOM 0 HA LEU A 12 -2.042 6.539 -1.442 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -1.684 3.695 -0.588 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -0.452 4.841 -0.098 1.00 0.00 H new ATOM 0 HG LEU A 12 -2.179 6.297 0.877 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -4.482 5.439 1.256 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -4.125 5.666 -0.473 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -4.109 4.032 0.232 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -2.767 4.813 2.825 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -2.302 3.395 1.857 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -1.075 4.599 2.318 1.00 0.00 H new ATOM 177 N ILE A 13 0.010 4.691 -3.263 1.00 0.00 N ATOM 178 CA ILE A 13 1.151 4.764 -4.177 1.00 0.00 C ATOM 179 C ILE A 13 0.971 5.940 -5.138 1.00 0.00 C ATOM 180 O ILE A 13 1.836 6.808 -5.223 1.00 0.00 O ATOM 181 CB ILE A 13 1.332 3.447 -4.964 1.00 0.00 C ATOM 182 CG1 ILE A 13 1.669 2.278 -4.022 1.00 0.00 C ATOM 183 CG2 ILE A 13 2.425 3.603 -6.040 1.00 0.00 C ATOM 184 CD1 ILE A 13 1.855 0.970 -4.796 1.00 0.00 C ATOM 0 H ILE A 13 -0.454 3.783 -3.265 1.00 0.00 H new ATOM 0 HA ILE A 13 2.052 4.918 -3.584 1.00 0.00 H new ATOM 0 HB ILE A 13 0.387 3.221 -5.458 1.00 0.00 H new ATOM 0 HG12 ILE A 13 2.579 2.507 -3.468 1.00 0.00 H new ATOM 0 HG13 ILE A 13 0.871 2.158 -3.289 1.00 0.00 H new ATOM 0 HG21 ILE A 13 2.537 2.665 -6.583 1.00 0.00 H new ATOM 0 HG22 ILE A 13 2.141 4.393 -6.735 1.00 0.00 H new ATOM 0 HG23 ILE A 13 3.371 3.862 -5.563 1.00 0.00 H new ATOM 0 HD11 ILE A 13 2.092 0.166 -4.100 1.00 0.00 H new ATOM 0 HD12 ILE A 13 0.936 0.729 -5.329 1.00 0.00 H new ATOM 0 HD13 ILE A 13 2.670 1.083 -5.511 1.00 0.00 H new ATOM 196 N GLY A 14 -0.130 5.945 -5.891 1.00 0.00 N ATOM 197 CA GLY A 14 -0.415 6.943 -6.907 1.00 0.00 C ATOM 198 C GLY A 14 -0.325 8.343 -6.316 1.00 0.00 C ATOM 199 O GLY A 14 0.368 9.204 -6.852 1.00 0.00 O ATOM 0 H GLY A 14 -0.860 5.238 -5.805 1.00 0.00 H new ATOM 0 HA2 GLY A 14 0.291 6.843 -7.732 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -1.411 6.778 -7.318 1.00 0.00 H new ATOM 203 N ILE A 15 -1.001 8.552 -5.185 1.00 0.00 N ATOM 204 CA ILE A 15 -0.946 9.794 -4.434 1.00 0.00 C ATOM 205 C ILE A 15 0.505 10.176 -4.146 1.00 0.00 C ATOM 206 O ILE A 15 0.896 11.313 -4.390 1.00 0.00 O ATOM 207 CB ILE A 15 -1.773 9.664 -3.144 1.00 0.00 C ATOM 208 CG1 ILE A 15 -3.284 9.554 -3.429 1.00 0.00 C ATOM 209 CG2 ILE A 15 -1.471 10.838 -2.208 1.00 0.00 C ATOM 210 CD1 ILE A 15 -3.951 10.885 -3.785 1.00 0.00 C ATOM 0 H ILE A 15 -1.609 7.849 -4.764 1.00 0.00 H new ATOM 0 HA ILE A 15 -1.382 10.597 -5.028 1.00 0.00 H new ATOM 0 HB ILE A 15 -1.481 8.736 -2.653 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -3.438 8.852 -4.248 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -3.779 9.135 -2.553 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -2.061 10.738 -1.297 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -0.411 10.839 -1.955 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -1.726 11.774 -2.705 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -5.013 10.722 -3.971 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -3.831 11.585 -2.958 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -3.485 11.298 -4.680 1.00 0.00 H new ATOM 222 N PHE A 16 1.314 9.247 -3.627 1.00 0.00 N ATOM 223 CA PHE A 16 2.719 9.542 -3.378 1.00 0.00 C ATOM 224 C PHE A 16 3.397 10.001 -4.668 1.00 0.00 C ATOM 225 O PHE A 16 3.969 11.092 -4.731 1.00 0.00 O ATOM 226 CB PHE A 16 3.432 8.315 -2.799 1.00 0.00 C ATOM 227 CG PHE A 16 4.847 8.581 -2.326 1.00 0.00 C ATOM 228 CD1 PHE A 16 5.071 9.400 -1.205 1.00 0.00 C ATOM 229 CD2 PHE A 16 5.938 7.963 -2.966 1.00 0.00 C ATOM 230 CE1 PHE A 16 6.368 9.542 -0.682 1.00 0.00 C ATOM 231 CE2 PHE A 16 7.231 8.089 -2.429 1.00 0.00 C ATOM 232 CZ PHE A 16 7.450 8.889 -1.296 1.00 0.00 C ATOM 0 H PHE A 16 1.023 8.302 -3.377 1.00 0.00 H new ATOM 0 HA PHE A 16 2.782 10.348 -2.647 1.00 0.00 H new ATOM 0 HB2 PHE A 16 2.848 7.931 -1.963 1.00 0.00 H new ATOM 0 HB3 PHE A 16 3.456 7.532 -3.557 1.00 0.00 H new ATOM 0 HD1 PHE A 16 4.245 9.921 -0.745 1.00 0.00 H new ATOM 0 HD2 PHE A 16 5.782 7.392 -3.869 1.00 0.00 H new ATOM 0 HE1 PHE A 16 6.533 10.154 0.193 1.00 0.00 H new ATOM 0 HE2 PHE A 16 8.058 7.569 -2.889 1.00 0.00 H new ATOM 0 HZ PHE A 16 8.447 9.002 -0.898 1.00 0.00 H new ATOM 242 N HIS A 17 3.341 9.155 -5.698 1.00 0.00 N ATOM 243 CA HIS A 17 4.057 9.360 -6.945 1.00 0.00 C ATOM 244 C HIS A 17 3.648 10.675 -7.614 1.00 0.00 C ATOM 245 O HIS A 17 4.505 11.337 -8.201 1.00 0.00 O ATOM 246 CB HIS A 17 3.852 8.152 -7.868 1.00 0.00 C ATOM 247 CG HIS A 17 4.829 8.094 -9.019 1.00 0.00 C ATOM 248 ND1 HIS A 17 5.317 9.168 -9.733 1.00 0.00 N ATOM 249 CD2 HIS A 17 5.416 6.965 -9.526 1.00 0.00 C ATOM 250 CE1 HIS A 17 6.168 8.689 -10.656 1.00 0.00 C ATOM 251 NE2 HIS A 17 6.268 7.354 -10.564 1.00 0.00 N ATOM 0 H HIS A 17 2.788 8.298 -5.683 1.00 0.00 H new ATOM 0 HA HIS A 17 5.122 9.443 -6.730 1.00 0.00 H new ATOM 0 HB2 HIS A 17 3.941 7.238 -7.281 1.00 0.00 H new ATOM 0 HB3 HIS A 17 2.837 8.178 -8.265 1.00 0.00 H new ATOM 0 HD1 HIS A 17 5.076 10.148 -9.587 1.00 0.00 H new ATOM 0 HD2 HIS A 17 5.250 5.954 -9.185 1.00 0.00 H new ATOM 0 HE1 HIS A 17 6.699 9.296 -11.374 1.00 0.00 H new ATOM 259 N LYS A 18 2.363 11.043 -7.530 1.00 0.00 N ATOM 260 CA LYS A 18 1.815 12.279 -8.077 1.00 0.00 C ATOM 261 C LYS A 18 2.689 13.483 -7.721 1.00 0.00 C ATOM 262 O LYS A 18 2.895 14.356 -8.560 1.00 0.00 O ATOM 263 CB LYS A 18 0.375 12.454 -7.569 1.00 0.00 C ATOM 264 CG LYS A 18 -0.302 13.750 -8.034 1.00 0.00 C ATOM 265 CD LYS A 18 -1.751 13.776 -7.524 1.00 0.00 C ATOM 266 CE LYS A 18 -2.405 15.148 -7.719 1.00 0.00 C ATOM 267 NZ LYS A 18 -2.452 15.541 -9.137 1.00 0.00 N ATOM 0 H LYS A 18 1.660 10.468 -7.065 1.00 0.00 H new ATOM 0 HA LYS A 18 1.803 12.217 -9.165 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -0.222 11.605 -7.903 1.00 0.00 H new ATOM 0 HB3 LYS A 18 0.381 12.431 -6.479 1.00 0.00 H new ATOM 0 HG2 LYS A 18 0.244 14.615 -7.657 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -0.286 13.812 -9.122 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -2.334 13.019 -8.049 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -1.768 13.514 -6.466 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -3.417 15.128 -7.315 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -1.851 15.897 -7.153 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -2.991 16.425 -9.235 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -1.484 15.685 -9.490 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -2.914 14.791 -9.690 1.00 0.00 H new ATOM 281 N TYR A 19 3.192 13.531 -6.485 1.00 0.00 N ATOM 282 CA TYR A 19 4.094 14.586 -6.046 1.00 0.00 C ATOM 283 C TYR A 19 5.533 14.091 -6.175 1.00 0.00 C ATOM 284 O TYR A 19 6.315 14.672 -6.924 1.00 0.00 O ATOM 285 CB TYR A 19 3.733 15.032 -4.624 1.00 0.00 C ATOM 286 CG TYR A 19 2.354 15.666 -4.532 1.00 0.00 C ATOM 287 CD1 TYR A 19 1.214 14.845 -4.461 1.00 0.00 C ATOM 288 CD2 TYR A 19 2.195 17.060 -4.657 1.00 0.00 C ATOM 289 CE1 TYR A 19 -0.071 15.409 -4.480 1.00 0.00 C ATOM 290 CE2 TYR A 19 0.907 17.621 -4.710 1.00 0.00 C ATOM 291 CZ TYR A 19 -0.225 16.796 -4.596 1.00 0.00 C ATOM 292 OH TYR A 19 -1.475 17.332 -4.638 1.00 0.00 O ATOM 0 H TYR A 19 2.983 12.839 -5.766 1.00 0.00 H new ATOM 0 HA TYR A 19 3.992 15.469 -6.677 1.00 0.00 H new ATOM 0 HB2 TYR A 19 3.776 14.171 -3.957 1.00 0.00 H new ATOM 0 HB3 TYR A 19 4.479 15.745 -4.272 1.00 0.00 H new ATOM 0 HD1 TYR A 19 1.328 13.773 -4.391 1.00 0.00 H new ATOM 0 HD2 TYR A 19 3.064 17.699 -4.712 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -0.941 14.773 -4.405 1.00 0.00 H new ATOM 0 HE2 TYR A 19 0.787 18.687 -4.838 1.00 0.00 H new ATOM 0 HH TYR A 19 -2.138 16.612 -4.696 1.00 0.00 H new ATOM 302 N SER A 20 5.868 12.998 -5.480 1.00 0.00 N ATOM 303 CA SER A 20 7.234 12.497 -5.355 1.00 0.00 C ATOM 304 C SER A 20 7.950 12.426 -6.702 1.00 0.00 C ATOM 305 O SER A 20 9.113 12.815 -6.800 1.00 0.00 O ATOM 306 CB SER A 20 7.251 11.144 -4.644 1.00 0.00 C ATOM 307 OG SER A 20 6.418 11.198 -3.509 1.00 0.00 O ATOM 0 H SER A 20 5.183 12.430 -4.982 1.00 0.00 H new ATOM 0 HA SER A 20 7.787 13.211 -4.745 1.00 0.00 H new ATOM 0 HB2 SER A 20 6.910 10.361 -5.321 1.00 0.00 H new ATOM 0 HB3 SER A 20 8.269 10.889 -4.349 1.00 0.00 H new ATOM 0 HG SER A 20 6.387 10.316 -3.084 1.00 0.00 H new ATOM 415 N THR A 28 11.490 9.470 -2.132 1.00 0.00 N ATOM 416 CA THR A 28 11.496 10.455 -1.067 1.00 0.00 C ATOM 417 C THR A 28 10.836 11.753 -1.538 1.00 0.00 C ATOM 418 O THR A 28 10.771 12.022 -2.736 1.00 0.00 O ATOM 419 CB THR A 28 12.956 10.735 -0.661 1.00 0.00 C ATOM 420 OG1 THR A 28 13.817 10.679 -1.785 1.00 0.00 O ATOM 421 CG2 THR A 28 13.471 9.716 0.357 1.00 0.00 C ATOM 0 HA THR A 28 10.935 10.071 -0.215 1.00 0.00 H new ATOM 0 HB THR A 28 12.959 11.732 -0.221 1.00 0.00 H new ATOM 0 HG1 THR A 28 13.512 9.976 -2.396 1.00 0.00 H new ATOM 0 HG21 THR A 28 14.504 9.950 0.616 1.00 0.00 H new ATOM 0 HG22 THR A 28 12.854 9.755 1.255 1.00 0.00 H new ATOM 0 HG23 THR A 28 13.423 8.716 -0.073 1.00 0.00 H new ATOM 429 N LEU A 29 10.379 12.563 -0.581 1.00 0.00 N ATOM 430 CA LEU A 29 9.935 13.939 -0.777 1.00 0.00 C ATOM 431 C LEU A 29 9.973 14.631 0.589 1.00 0.00 C ATOM 432 O LEU A 29 10.347 13.989 1.569 1.00 0.00 O ATOM 433 CB LEU A 29 8.571 14.019 -1.486 1.00 0.00 C ATOM 434 CG LEU A 29 7.487 13.038 -1.017 1.00 0.00 C ATOM 435 CD1 LEU A 29 7.346 12.981 0.503 1.00 0.00 C ATOM 436 CD2 LEU A 29 6.136 13.461 -1.604 1.00 0.00 C ATOM 0 H LEU A 29 10.306 12.263 0.391 1.00 0.00 H new ATOM 0 HA LEU A 29 10.604 14.467 -1.456 1.00 0.00 H new ATOM 0 HB2 LEU A 29 8.186 15.032 -1.368 1.00 0.00 H new ATOM 0 HB3 LEU A 29 8.733 13.862 -2.552 1.00 0.00 H new ATOM 0 HG LEU A 29 7.789 12.049 -1.362 1.00 0.00 H new ATOM 0 HD11 LEU A 29 6.564 12.270 0.769 1.00 0.00 H new ATOM 0 HD12 LEU A 29 8.291 12.664 0.944 1.00 0.00 H new ATOM 0 HD13 LEU A 29 7.082 13.969 0.881 1.00 0.00 H new ATOM 0 HD21 LEU A 29 5.363 12.767 -1.274 1.00 0.00 H new ATOM 0 HD22 LEU A 29 5.890 14.467 -1.264 1.00 0.00 H new ATOM 0 HD23 LEU A 29 6.193 13.450 -2.692 1.00 0.00 H new ATOM 448 N SER A 30 9.636 15.921 0.682 1.00 0.00 N ATOM 449 CA SER A 30 9.763 16.681 1.922 1.00 0.00 C ATOM 450 C SER A 30 8.533 17.538 2.248 1.00 0.00 C ATOM 451 O SER A 30 7.462 17.399 1.658 1.00 0.00 O ATOM 452 CB SER A 30 11.066 17.495 1.892 1.00 0.00 C ATOM 453 OG SER A 30 11.429 17.945 3.190 1.00 0.00 O ATOM 0 H SER A 30 9.269 16.463 -0.100 1.00 0.00 H new ATOM 0 HA SER A 30 9.814 15.969 2.745 1.00 0.00 H new ATOM 0 HB2 SER A 30 11.869 16.884 1.480 1.00 0.00 H new ATOM 0 HB3 SER A 30 10.946 18.352 1.229 1.00 0.00 H new ATOM 0 HG SER A 30 12.262 18.458 3.137 1.00 0.00 H new ATOM 459 N LYS A 31 8.714 18.418 3.235 1.00 0.00 N ATOM 460 CA LYS A 31 7.671 19.188 3.903 1.00 0.00 C ATOM 461 C LYS A 31 6.696 19.897 2.970 1.00 0.00 C ATOM 462 O LYS A 31 5.489 19.727 3.118 1.00 0.00 O ATOM 463 CB LYS A 31 8.248 20.129 4.976 1.00 0.00 C ATOM 464 CG LYS A 31 9.563 20.844 4.618 1.00 0.00 C ATOM 465 CD LYS A 31 10.163 21.485 5.876 1.00 0.00 C ATOM 466 CE LYS A 31 11.580 22.003 5.607 1.00 0.00 C ATOM 467 NZ LYS A 31 12.297 22.263 6.867 1.00 0.00 N ATOM 0 H LYS A 31 9.642 18.621 3.607 1.00 0.00 H new ATOM 0 HA LYS A 31 7.059 18.442 4.410 1.00 0.00 H new ATOM 0 HB2 LYS A 31 7.498 20.886 5.206 1.00 0.00 H new ATOM 0 HB3 LYS A 31 8.409 19.552 5.887 1.00 0.00 H new ATOM 0 HG2 LYS A 31 10.269 20.133 4.188 1.00 0.00 H new ATOM 0 HG3 LYS A 31 9.379 21.607 3.862 1.00 0.00 H new ATOM 0 HD2 LYS A 31 9.528 22.307 6.207 1.00 0.00 H new ATOM 0 HD3 LYS A 31 10.187 20.754 6.685 1.00 0.00 H new ATOM 0 HE2 LYS A 31 12.131 21.272 5.015 1.00 0.00 H new ATOM 0 HE3 LYS A 31 11.530 22.919 5.018 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 13.254 22.613 6.656 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 11.781 22.977 7.419 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 12.364 21.383 7.417 1.00 0.00 H new ATOM 481 N LYS A 32 7.183 20.697 2.018 1.00 0.00 N ATOM 482 CA LYS A 32 6.319 21.399 1.084 1.00 0.00 C ATOM 483 C LYS A 32 5.385 20.404 0.386 1.00 0.00 C ATOM 484 O LYS A 32 4.172 20.605 0.323 1.00 0.00 O ATOM 485 CB LYS A 32 7.196 22.192 0.102 1.00 0.00 C ATOM 486 CG LYS A 32 6.407 22.913 -0.997 1.00 0.00 C ATOM 487 CD LYS A 32 5.283 23.804 -0.456 1.00 0.00 C ATOM 488 CE LYS A 32 5.814 24.970 0.385 1.00 0.00 C ATOM 489 NZ LYS A 32 4.720 25.862 0.806 1.00 0.00 N ATOM 0 H LYS A 32 8.178 20.871 1.879 1.00 0.00 H new ATOM 0 HA LYS A 32 5.678 22.110 1.605 1.00 0.00 H new ATOM 0 HB2 LYS A 32 7.776 22.927 0.661 1.00 0.00 H new ATOM 0 HB3 LYS A 32 7.909 21.511 -0.364 1.00 0.00 H new ATOM 0 HG2 LYS A 32 7.093 23.523 -1.585 1.00 0.00 H new ATOM 0 HG3 LYS A 32 5.980 22.172 -1.673 1.00 0.00 H new ATOM 0 HD2 LYS A 32 4.701 24.197 -1.290 1.00 0.00 H new ATOM 0 HD3 LYS A 32 4.606 23.202 0.150 1.00 0.00 H new ATOM 0 HE2 LYS A 32 6.330 24.583 1.264 1.00 0.00 H new ATOM 0 HE3 LYS A 32 6.546 25.535 -0.192 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 5.107 26.643 1.374 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 4.244 26.248 -0.034 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 4.035 25.326 1.376 1.00 0.00 H new ATOM 503 N GLU A 33 5.958 19.306 -0.104 1.00 0.00 N ATOM 504 CA GLU A 33 5.219 18.253 -0.768 1.00 0.00 C ATOM 505 C GLU A 33 4.221 17.600 0.193 1.00 0.00 C ATOM 506 O GLU A 33 3.103 17.309 -0.214 1.00 0.00 O ATOM 507 CB GLU A 33 6.168 17.225 -1.394 1.00 0.00 C ATOM 508 CG GLU A 33 7.236 17.875 -2.290 1.00 0.00 C ATOM 509 CD GLU A 33 8.550 18.117 -1.551 1.00 0.00 C ATOM 510 OE1 GLU A 33 8.605 19.079 -0.755 1.00 0.00 O ATOM 511 OE2 GLU A 33 9.471 17.297 -1.748 1.00 0.00 O ATOM 0 H GLU A 33 6.961 19.128 -0.046 1.00 0.00 H new ATOM 0 HA GLU A 33 4.645 18.697 -1.582 1.00 0.00 H new ATOM 0 HB2 GLU A 33 6.659 16.659 -0.602 1.00 0.00 H new ATOM 0 HB3 GLU A 33 5.589 16.513 -1.983 1.00 0.00 H new ATOM 0 HG2 GLU A 33 7.421 17.235 -3.153 1.00 0.00 H new ATOM 0 HG3 GLU A 33 6.857 18.823 -2.672 1.00 0.00 H new ATOM 518 N LEU A 34 4.592 17.380 1.459 1.00 0.00 N ATOM 519 CA LEU A 34 3.658 16.878 2.468 1.00 0.00 C ATOM 520 C LEU A 34 2.485 17.838 2.700 1.00 0.00 C ATOM 521 O LEU A 34 1.329 17.411 2.702 1.00 0.00 O ATOM 522 CB LEU A 34 4.375 16.535 3.785 1.00 0.00 C ATOM 523 CG LEU A 34 4.611 15.024 3.919 1.00 0.00 C ATOM 524 CD1 LEU A 34 5.595 14.510 2.868 1.00 0.00 C ATOM 525 CD2 LEU A 34 5.122 14.658 5.314 1.00 0.00 C ATOM 0 H LEU A 34 5.536 17.543 1.808 1.00 0.00 H new ATOM 0 HA LEU A 34 3.237 15.953 2.074 1.00 0.00 H new ATOM 0 HB2 LEU A 34 5.330 17.059 3.828 1.00 0.00 H new ATOM 0 HB3 LEU A 34 3.780 16.888 4.627 1.00 0.00 H new ATOM 0 HG LEU A 34 3.645 14.545 3.758 1.00 0.00 H new ATOM 0 HD11 LEU A 34 5.736 13.437 2.996 1.00 0.00 H new ATOM 0 HD12 LEU A 34 5.200 14.708 1.872 1.00 0.00 H new ATOM 0 HD13 LEU A 34 6.552 15.018 2.986 1.00 0.00 H new ATOM 0 HD21 LEU A 34 5.278 13.581 5.373 1.00 0.00 H new ATOM 0 HD22 LEU A 34 6.064 15.172 5.503 1.00 0.00 H new ATOM 0 HD23 LEU A 34 4.388 14.960 6.061 1.00 0.00 H new ATOM 537 N LYS A 35 2.766 19.127 2.904 1.00 0.00 N ATOM 538 CA LYS A 35 1.734 20.143 3.064 1.00 0.00 C ATOM 539 C LYS A 35 0.805 20.121 1.849 1.00 0.00 C ATOM 540 O LYS A 35 -0.415 20.088 2.006 1.00 0.00 O ATOM 541 CB LYS A 35 2.363 21.528 3.269 1.00 0.00 C ATOM 542 CG LYS A 35 3.013 21.656 4.655 1.00 0.00 C ATOM 543 CD LYS A 35 3.844 22.943 4.708 1.00 0.00 C ATOM 544 CE LYS A 35 4.515 23.085 6.077 1.00 0.00 C ATOM 545 NZ LYS A 35 5.339 24.304 6.144 1.00 0.00 N ATOM 0 H LYS A 35 3.717 19.492 2.962 1.00 0.00 H new ATOM 0 HA LYS A 35 1.144 19.923 3.954 1.00 0.00 H new ATOM 0 HB2 LYS A 35 3.112 21.705 2.498 1.00 0.00 H new ATOM 0 HB3 LYS A 35 1.598 22.296 3.153 1.00 0.00 H new ATOM 0 HG2 LYS A 35 2.246 21.673 5.429 1.00 0.00 H new ATOM 0 HG3 LYS A 35 3.647 20.792 4.853 1.00 0.00 H new ATOM 0 HD2 LYS A 35 4.601 22.928 3.924 1.00 0.00 H new ATOM 0 HD3 LYS A 35 3.205 23.805 4.517 1.00 0.00 H new ATOM 0 HE2 LYS A 35 3.754 23.115 6.856 1.00 0.00 H new ATOM 0 HE3 LYS A 35 5.137 22.211 6.272 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 5.912 24.289 7.012 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 5.967 24.345 5.316 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 4.721 25.141 6.151 1.00 0.00 H new ATOM 559 N GLU A 36 1.373 20.105 0.639 1.00 0.00 N ATOM 560 CA GLU A 36 0.590 19.938 -0.576 1.00 0.00 C ATOM 561 C GLU A 36 -0.265 18.673 -0.512 1.00 0.00 C ATOM 562 O GLU A 36 -1.475 18.763 -0.669 1.00 0.00 O ATOM 563 CB GLU A 36 1.490 19.921 -1.814 1.00 0.00 C ATOM 564 CG GLU A 36 1.783 21.340 -2.304 1.00 0.00 C ATOM 565 CD GLU A 36 2.775 21.314 -3.461 1.00 0.00 C ATOM 566 OE1 GLU A 36 2.340 20.922 -4.566 1.00 0.00 O ATOM 567 OE2 GLU A 36 3.947 21.671 -3.218 1.00 0.00 O ATOM 0 H GLU A 36 2.376 20.206 0.481 1.00 0.00 H new ATOM 0 HA GLU A 36 -0.080 20.794 -0.657 1.00 0.00 H new ATOM 0 HB2 GLU A 36 2.426 19.414 -1.580 1.00 0.00 H new ATOM 0 HB3 GLU A 36 1.009 19.351 -2.609 1.00 0.00 H new ATOM 0 HG2 GLU A 36 0.857 21.819 -2.622 1.00 0.00 H new ATOM 0 HG3 GLU A 36 2.186 21.937 -1.486 1.00 0.00 H new ATOM 574 N LEU A 37 0.347 17.507 -0.306 1.00 0.00 N ATOM 575 CA LEU A 37 -0.348 16.229 -0.226 1.00 0.00 C ATOM 576 C LEU A 37 -1.569 16.346 0.678 1.00 0.00 C ATOM 577 O LEU A 37 -2.690 16.127 0.225 1.00 0.00 O ATOM 578 CB LEU A 37 0.597 15.134 0.293 1.00 0.00 C ATOM 579 CG LEU A 37 1.412 14.471 -0.825 1.00 0.00 C ATOM 580 CD1 LEU A 37 2.656 13.793 -0.243 1.00 0.00 C ATOM 581 CD2 LEU A 37 0.557 13.403 -1.512 1.00 0.00 C ATOM 0 H LEU A 37 1.357 17.426 -0.188 1.00 0.00 H new ATOM 0 HA LEU A 37 -0.680 15.953 -1.227 1.00 0.00 H new ATOM 0 HB2 LEU A 37 1.279 15.566 1.025 1.00 0.00 H new ATOM 0 HB3 LEU A 37 0.014 14.373 0.811 1.00 0.00 H new ATOM 0 HG LEU A 37 1.712 15.238 -1.539 1.00 0.00 H new ATOM 0 HD11 LEU A 37 3.226 13.326 -1.047 1.00 0.00 H new ATOM 0 HD12 LEU A 37 3.276 14.537 0.256 1.00 0.00 H new ATOM 0 HD13 LEU A 37 2.353 13.032 0.476 1.00 0.00 H new ATOM 0 HD21 LEU A 37 1.134 12.931 -2.307 1.00 0.00 H new ATOM 0 HD22 LEU A 37 0.260 12.650 -0.782 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -0.333 13.867 -1.937 1.00 0.00 H new ATOM 593 N ILE A 38 -1.366 16.693 1.952 1.00 0.00 N ATOM 594 CA ILE A 38 -2.477 16.739 2.889 1.00 0.00 C ATOM 595 C ILE A 38 -3.495 17.800 2.441 1.00 0.00 C ATOM 596 O ILE A 38 -4.673 17.493 2.293 1.00 0.00 O ATOM 597 CB ILE A 38 -1.971 16.846 4.345 1.00 0.00 C ATOM 598 CG1 ILE A 38 -3.053 16.412 5.349 1.00 0.00 C ATOM 599 CG2 ILE A 38 -1.430 18.234 4.692 1.00 0.00 C ATOM 600 CD1 ILE A 38 -2.533 16.320 6.787 1.00 0.00 C ATOM 0 H ILE A 38 -0.459 16.941 2.347 1.00 0.00 H new ATOM 0 HA ILE A 38 -3.031 15.800 2.881 1.00 0.00 H new ATOM 0 HB ILE A 38 -1.131 16.156 4.423 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -3.880 17.121 5.312 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -3.451 15.442 5.050 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -1.091 18.244 5.728 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -0.595 18.474 4.034 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -2.219 18.975 4.562 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -3.343 16.009 7.447 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -1.725 15.590 6.836 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -2.161 17.295 7.102 1.00 0.00 H new ATOM 612 N GLN A 39 -3.061 19.031 2.158 1.00 0.00 N ATOM 613 CA GLN A 39 -3.977 20.113 1.820 1.00 0.00 C ATOM 614 C GLN A 39 -4.813 19.798 0.569 1.00 0.00 C ATOM 615 O GLN A 39 -6.020 20.022 0.564 1.00 0.00 O ATOM 616 CB GLN A 39 -3.183 21.420 1.680 1.00 0.00 C ATOM 617 CG GLN A 39 -4.088 22.633 1.424 1.00 0.00 C ATOM 618 CD GLN A 39 -3.270 23.893 1.174 1.00 0.00 C ATOM 619 OE1 GLN A 39 -3.276 24.437 0.074 1.00 0.00 O ATOM 620 NE2 GLN A 39 -2.548 24.367 2.185 1.00 0.00 N ATOM 0 H GLN A 39 -2.077 19.299 2.157 1.00 0.00 H new ATOM 0 HA GLN A 39 -4.699 20.229 2.628 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -2.603 21.588 2.588 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -2.471 21.323 0.861 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -4.728 22.436 0.564 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -4.744 22.787 2.281 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -2.563 23.894 3.088 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -1.979 25.204 2.057 1.00 0.00 H new ATOM 629 N LYS A 40 -4.180 19.324 -0.508 1.00 0.00 N ATOM 630 CA LYS A 40 -4.857 19.043 -1.766 1.00 0.00 C ATOM 631 C LYS A 40 -5.649 17.737 -1.646 1.00 0.00 C ATOM 632 O LYS A 40 -6.847 17.708 -1.923 1.00 0.00 O ATOM 633 CB LYS A 40 -3.860 18.940 -2.941 1.00 0.00 C ATOM 634 CG LYS A 40 -3.431 20.251 -3.638 1.00 0.00 C ATOM 635 CD LYS A 40 -2.213 20.977 -3.050 1.00 0.00 C ATOM 636 CE LYS A 40 -2.582 21.995 -1.969 1.00 0.00 C ATOM 637 NZ LYS A 40 -3.276 23.175 -2.514 1.00 0.00 N ATOM 0 H LYS A 40 -3.180 19.125 -0.526 1.00 0.00 H new ATOM 0 HA LYS A 40 -5.534 19.872 -1.973 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -2.960 18.445 -2.575 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -4.298 18.287 -3.696 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -3.222 20.028 -4.684 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -4.277 20.938 -3.622 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -1.528 20.241 -2.628 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -1.679 21.486 -3.852 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -3.219 21.515 -1.226 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -1.677 22.316 -1.454 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -3.367 23.898 -1.772 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -2.729 23.563 -3.309 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -4.222 22.899 -2.846 1.00 0.00 H new ATOM 651 N GLU A 41 -4.979 16.641 -1.279 1.00 0.00 N ATOM 652 CA GLU A 41 -5.553 15.305 -1.371 1.00 0.00 C ATOM 653 C GLU A 41 -6.404 14.928 -0.155 1.00 0.00 C ATOM 654 O GLU A 41 -7.224 14.015 -0.261 1.00 0.00 O ATOM 655 CB GLU A 41 -4.452 14.274 -1.648 1.00 0.00 C ATOM 656 CG GLU A 41 -3.594 14.629 -2.876 1.00 0.00 C ATOM 657 CD GLU A 41 -4.418 14.744 -4.155 1.00 0.00 C ATOM 658 OE1 GLU A 41 -5.100 13.747 -4.481 1.00 0.00 O ATOM 659 OE2 GLU A 41 -4.353 15.821 -4.786 1.00 0.00 O ATOM 0 H GLU A 41 -4.028 16.659 -0.912 1.00 0.00 H new ATOM 0 HA GLU A 41 -6.245 15.307 -2.213 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -3.808 14.193 -0.772 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -4.907 13.295 -1.800 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -3.079 15.572 -2.694 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -2.826 13.867 -3.010 1.00 0.00 H new ATOM 666 N LEU A 42 -6.237 15.608 0.983 1.00 0.00 N ATOM 667 CA LEU A 42 -7.120 15.513 2.143 1.00 0.00 C ATOM 668 C LEU A 42 -7.748 16.887 2.362 1.00 0.00 C ATOM 669 O LEU A 42 -7.556 17.503 3.406 1.00 0.00 O ATOM 670 CB LEU A 42 -6.352 14.994 3.372 1.00 0.00 C ATOM 671 CG LEU A 42 -6.051 13.493 3.274 1.00 0.00 C ATOM 672 CD1 LEU A 42 -4.896 13.114 4.202 1.00 0.00 C ATOM 673 CD2 LEU A 42 -7.286 12.677 3.657 1.00 0.00 C ATOM 0 H LEU A 42 -5.462 16.256 1.124 1.00 0.00 H new ATOM 0 HA LEU A 42 -7.917 14.789 1.973 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -5.417 15.545 3.473 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -6.936 15.188 4.272 1.00 0.00 H new ATOM 0 HG LEU A 42 -5.773 13.273 2.243 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -4.698 12.045 4.118 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -4.004 13.672 3.919 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -5.163 13.354 5.231 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -7.057 11.614 3.583 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -7.576 12.915 4.680 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -8.106 12.920 2.981 1.00 0.00 H new ATOM 794 N ASP A 50 -7.628 17.014 15.488 1.00 0.00 N ATOM 795 CA ASP A 50 -6.291 17.313 15.987 1.00 0.00 C ATOM 796 C ASP A 50 -5.252 16.685 15.070 1.00 0.00 C ATOM 797 O ASP A 50 -4.300 17.349 14.671 1.00 0.00 O ATOM 798 CB ASP A 50 -6.123 16.777 17.412 1.00 0.00 C ATOM 799 CG ASP A 50 -4.695 16.954 17.911 1.00 0.00 C ATOM 800 OD1 ASP A 50 -4.353 18.101 18.267 1.00 0.00 O ATOM 801 OD2 ASP A 50 -3.973 15.933 17.918 1.00 0.00 O ATOM 0 HA ASP A 50 -6.152 18.394 16.003 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -6.810 17.296 18.080 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -6.390 15.721 17.438 1.00 0.00 H new ATOM 806 N ALA A 51 -5.452 15.409 14.728 1.00 0.00 N ATOM 807 CA ALA A 51 -4.574 14.625 13.872 1.00 0.00 C ATOM 808 C ALA A 51 -3.959 15.455 12.744 1.00 0.00 C ATOM 809 O ALA A 51 -2.740 15.568 12.637 1.00 0.00 O ATOM 810 CB ALA A 51 -5.386 13.469 13.292 1.00 0.00 C ATOM 0 H ALA A 51 -6.261 14.880 15.054 1.00 0.00 H new ATOM 0 HA ALA A 51 -3.742 14.257 14.473 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -4.749 12.865 12.646 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -5.769 12.851 14.104 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -6.220 13.865 12.712 1.00 0.00 H new ATOM 816 N GLU A 52 -4.813 16.045 11.905 1.00 0.00 N ATOM 817 CA GLU A 52 -4.406 16.808 10.735 1.00 0.00 C ATOM 818 C GLU A 52 -3.555 18.021 11.127 1.00 0.00 C ATOM 819 O GLU A 52 -2.582 18.359 10.453 1.00 0.00 O ATOM 820 CB GLU A 52 -5.682 17.211 9.981 1.00 0.00 C ATOM 821 CG GLU A 52 -5.422 18.054 8.724 1.00 0.00 C ATOM 822 CD GLU A 52 -6.717 18.443 8.017 1.00 0.00 C ATOM 823 OE1 GLU A 52 -7.790 18.060 8.533 1.00 0.00 O ATOM 824 OE2 GLU A 52 -6.611 19.138 6.986 1.00 0.00 O ATOM 0 H GLU A 52 -5.825 16.002 12.027 1.00 0.00 H new ATOM 0 HA GLU A 52 -3.772 16.204 10.086 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -6.224 16.309 9.696 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -6.329 17.772 10.655 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -4.875 18.956 8.999 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -4.788 17.494 8.037 1.00 0.00 H new ATOM 831 N ILE A 53 -3.935 18.682 12.221 1.00 0.00 N ATOM 832 CA ILE A 53 -3.298 19.894 12.706 1.00 0.00 C ATOM 833 C ILE A 53 -1.876 19.503 13.113 1.00 0.00 C ATOM 834 O ILE A 53 -0.888 20.053 12.627 1.00 0.00 O ATOM 835 CB ILE A 53 -4.096 20.477 13.898 1.00 0.00 C ATOM 836 CG1 ILE A 53 -5.577 20.822 13.629 1.00 0.00 C ATOM 837 CG2 ILE A 53 -3.408 21.754 14.401 1.00 0.00 C ATOM 838 CD1 ILE A 53 -6.479 19.706 13.081 1.00 0.00 C ATOM 0 H ILE A 53 -4.714 18.377 12.805 1.00 0.00 H new ATOM 0 HA ILE A 53 -3.271 20.671 11.942 1.00 0.00 H new ATOM 0 HB ILE A 53 -4.101 19.670 14.631 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -6.014 21.179 14.562 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -5.606 21.653 12.925 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -3.970 22.164 15.240 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -2.394 21.518 14.724 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -3.370 22.488 13.596 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -7.489 20.091 12.941 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -6.087 19.358 12.125 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -6.501 18.876 13.788 1.00 0.00 H new ATOM 850 N VAL A 54 -1.787 18.498 13.986 1.00 0.00 N ATOM 851 CA VAL A 54 -0.525 17.961 14.454 1.00 0.00 C ATOM 852 C VAL A 54 0.316 17.499 13.272 1.00 0.00 C ATOM 853 O VAL A 54 1.507 17.773 13.250 1.00 0.00 O ATOM 854 CB VAL A 54 -0.771 16.861 15.496 1.00 0.00 C ATOM 855 CG1 VAL A 54 0.524 16.137 15.888 1.00 0.00 C ATOM 856 CG2 VAL A 54 -1.369 17.516 16.746 1.00 0.00 C ATOM 0 H VAL A 54 -2.602 18.035 14.387 1.00 0.00 H new ATOM 0 HA VAL A 54 0.048 18.739 14.958 1.00 0.00 H new ATOM 0 HB VAL A 54 -1.446 16.122 15.065 1.00 0.00 H new ATOM 0 HG11 VAL A 54 0.301 15.368 16.627 1.00 0.00 H new ATOM 0 HG12 VAL A 54 0.964 15.675 15.004 1.00 0.00 H new ATOM 0 HG13 VAL A 54 1.228 16.854 16.311 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -1.554 16.754 17.503 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -0.671 18.256 17.138 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -2.308 18.005 16.487 1.00 0.00 H new ATOM 866 N LYS A 55 -0.274 16.835 12.276 1.00 0.00 N ATOM 867 CA LYS A 55 0.441 16.444 11.069 1.00 0.00 C ATOM 868 C LYS A 55 1.076 17.661 10.403 1.00 0.00 C ATOM 869 O LYS A 55 2.281 17.670 10.152 1.00 0.00 O ATOM 870 CB LYS A 55 -0.494 15.699 10.102 1.00 0.00 C ATOM 871 CG LYS A 55 -0.255 14.189 10.163 1.00 0.00 C ATOM 872 CD LYS A 55 -0.587 13.608 11.546 1.00 0.00 C ATOM 873 CE LYS A 55 0.204 12.329 11.814 1.00 0.00 C ATOM 874 NZ LYS A 55 1.640 12.598 12.021 1.00 0.00 N ATOM 0 H LYS A 55 -1.255 16.557 12.287 1.00 0.00 H new ATOM 0 HA LYS A 55 1.243 15.761 11.347 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -1.532 15.917 10.354 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -0.331 16.056 9.085 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -0.865 13.695 9.407 1.00 0.00 H new ATOM 0 HG3 LYS A 55 0.787 13.977 9.921 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -0.362 14.346 12.316 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -1.655 13.398 11.608 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -0.202 11.830 12.694 1.00 0.00 H new ATOM 0 HE3 LYS A 55 0.081 11.645 10.975 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 2.075 11.796 12.521 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 2.106 12.726 11.100 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 1.753 13.462 12.589 1.00 0.00 H new ATOM 888 N LEU A 56 0.271 18.687 10.119 1.00 0.00 N ATOM 889 CA LEU A 56 0.752 19.905 9.480 1.00 0.00 C ATOM 890 C LEU A 56 1.943 20.505 10.238 1.00 0.00 C ATOM 891 O LEU A 56 2.880 20.985 9.605 1.00 0.00 O ATOM 892 CB LEU A 56 -0.399 20.911 9.320 1.00 0.00 C ATOM 893 CG LEU A 56 -1.339 20.568 8.153 1.00 0.00 C ATOM 894 CD1 LEU A 56 -2.676 21.295 8.336 1.00 0.00 C ATOM 895 CD2 LEU A 56 -0.722 20.986 6.810 1.00 0.00 C ATOM 0 H LEU A 56 -0.728 18.693 10.326 1.00 0.00 H new ATOM 0 HA LEU A 56 1.116 19.653 8.484 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -0.975 20.946 10.245 1.00 0.00 H new ATOM 0 HB3 LEU A 56 0.015 21.907 9.165 1.00 0.00 H new ATOM 0 HG LEU A 56 -1.496 19.489 8.148 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -3.340 21.050 7.507 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -3.135 20.982 9.274 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -2.505 22.371 8.358 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -1.407 20.733 6.001 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -0.543 22.061 6.811 1.00 0.00 H new ATOM 0 HD23 LEU A 56 0.222 20.461 6.664 1.00 0.00 H new ATOM 907 N MET A 57 1.927 20.481 11.576 1.00 0.00 N ATOM 908 CA MET A 57 3.046 20.976 12.372 1.00 0.00 C ATOM 909 C MET A 57 4.220 19.983 12.308 1.00 0.00 C ATOM 910 O MET A 57 5.301 20.310 11.821 1.00 0.00 O ATOM 911 CB MET A 57 2.607 21.233 13.823 1.00 0.00 C ATOM 912 CG MET A 57 2.062 22.647 14.100 1.00 0.00 C ATOM 913 SD MET A 57 0.281 22.976 13.944 1.00 0.00 S ATOM 914 CE MET A 57 0.039 23.154 12.162 1.00 0.00 C ATOM 0 H MET A 57 1.147 20.122 12.127 1.00 0.00 H new ATOM 0 HA MET A 57 3.382 21.926 11.957 1.00 0.00 H new ATOM 0 HB2 MET A 57 1.839 20.506 14.088 1.00 0.00 H new ATOM 0 HB3 MET A 57 3.457 21.053 14.481 1.00 0.00 H new ATOM 0 HG2 MET A 57 2.354 22.915 15.115 1.00 0.00 H new ATOM 0 HG3 MET A 57 2.579 23.332 13.428 1.00 0.00 H new ATOM 0 HE1 MET A 57 -0.270 24.175 11.937 1.00 0.00 H new ATOM 0 HE2 MET A 57 0.973 22.935 11.644 1.00 0.00 H new ATOM 0 HE3 MET A 57 -0.732 22.459 11.828 1.00 0.00 H new ATOM 924 N ASP A 58 3.994 18.765 12.809 1.00 0.00 N ATOM 925 CA ASP A 58 4.941 17.657 12.889 1.00 0.00 C ATOM 926 C ASP A 58 5.747 17.502 11.606 1.00 0.00 C ATOM 927 O ASP A 58 6.946 17.243 11.660 1.00 0.00 O ATOM 928 CB ASP A 58 4.185 16.354 13.176 1.00 0.00 C ATOM 929 CG ASP A 58 5.103 15.136 13.222 1.00 0.00 C ATOM 930 OD1 ASP A 58 6.159 15.233 13.883 1.00 0.00 O ATOM 931 OD2 ASP A 58 4.722 14.124 12.593 1.00 0.00 O ATOM 0 H ASP A 58 3.083 18.514 13.194 1.00 0.00 H new ATOM 0 HA ASP A 58 5.638 17.876 13.697 1.00 0.00 H new ATOM 0 HB2 ASP A 58 3.662 16.445 14.128 1.00 0.00 H new ATOM 0 HB3 ASP A 58 3.426 16.203 12.408 1.00 0.00 H new ATOM 936 N ASP A 59 5.094 17.671 10.456 1.00 0.00 N ATOM 937 CA ASP A 59 5.730 17.698 9.149 1.00 0.00 C ATOM 938 C ASP A 59 7.066 18.453 9.155 1.00 0.00 C ATOM 939 O ASP A 59 8.059 17.954 8.622 1.00 0.00 O ATOM 940 CB ASP A 59 4.770 18.352 8.155 1.00 0.00 C ATOM 941 CG ASP A 59 5.419 18.478 6.790 1.00 0.00 C ATOM 942 OD1 ASP A 59 5.947 17.444 6.333 1.00 0.00 O ATOM 943 OD2 ASP A 59 5.401 19.601 6.248 1.00 0.00 O ATOM 0 H ASP A 59 4.083 17.796 10.412 1.00 0.00 H new ATOM 0 HA ASP A 59 5.952 16.671 8.861 1.00 0.00 H new ATOM 0 HB2 ASP A 59 3.859 17.759 8.077 1.00 0.00 H new ATOM 0 HB3 ASP A 59 4.479 19.338 8.517 1.00 0.00 H new ATOM 948 N LEU A 60 7.088 19.652 9.747 1.00 0.00 N ATOM 949 CA LEU A 60 8.282 20.483 9.806 1.00 0.00 C ATOM 950 C LEU A 60 9.358 19.831 10.675 1.00 0.00 C ATOM 951 O LEU A 60 10.542 19.994 10.398 1.00 0.00 O ATOM 952 CB LEU A 60 7.971 21.887 10.349 1.00 0.00 C ATOM 953 CG LEU A 60 7.182 22.796 9.389 1.00 0.00 C ATOM 954 CD1 LEU A 60 5.684 22.473 9.376 1.00 0.00 C ATOM 955 CD2 LEU A 60 7.356 24.255 9.826 1.00 0.00 C ATOM 0 H LEU A 60 6.274 20.069 10.198 1.00 0.00 H new ATOM 0 HA LEU A 60 8.651 20.580 8.785 1.00 0.00 H new ATOM 0 HB2 LEU A 60 7.406 21.785 11.275 1.00 0.00 H new ATOM 0 HB3 LEU A 60 8.910 22.379 10.601 1.00 0.00 H new ATOM 0 HG LEU A 60 7.574 22.628 8.386 1.00 0.00 H new ATOM 0 HD11 LEU A 60 5.174 23.142 8.683 1.00 0.00 H new ATOM 0 HD12 LEU A 60 5.537 21.441 9.058 1.00 0.00 H new ATOM 0 HD13 LEU A 60 5.274 22.606 10.377 1.00 0.00 H new ATOM 0 HD21 LEU A 60 6.800 24.906 9.151 1.00 0.00 H new ATOM 0 HD22 LEU A 60 6.979 24.378 10.841 1.00 0.00 H new ATOM 0 HD23 LEU A 60 8.413 24.520 9.797 1.00 0.00 H new ATOM 967 N ASP A 61 8.962 19.118 11.734 1.00 0.00 N ATOM 968 CA ASP A 61 9.892 18.465 12.645 1.00 0.00 C ATOM 969 C ASP A 61 10.478 17.228 11.972 1.00 0.00 C ATOM 970 O ASP A 61 11.696 17.081 11.892 1.00 0.00 O ATOM 971 CB ASP A 61 9.209 18.122 13.974 1.00 0.00 C ATOM 972 CG ASP A 61 8.759 19.383 14.703 1.00 0.00 C ATOM 973 OD1 ASP A 61 9.658 20.117 15.169 1.00 0.00 O ATOM 974 OD2 ASP A 61 7.529 19.596 14.767 1.00 0.00 O ATOM 0 H ASP A 61 7.982 18.980 11.980 1.00 0.00 H new ATOM 0 HA ASP A 61 10.708 19.149 12.878 1.00 0.00 H new ATOM 0 HB2 ASP A 61 8.349 17.479 13.789 1.00 0.00 H new ATOM 0 HB3 ASP A 61 9.897 17.560 14.605 1.00 0.00 H new ATOM 979 N ARG A 62 9.607 16.359 11.448 1.00 0.00 N ATOM 980 CA ARG A 62 9.995 15.242 10.595 1.00 0.00 C ATOM 981 C ARG A 62 11.023 15.725 9.568 1.00 0.00 C ATOM 982 O ARG A 62 12.144 15.221 9.504 1.00 0.00 O ATOM 983 CB ARG A 62 8.748 14.664 9.903 1.00 0.00 C ATOM 984 CG ARG A 62 8.005 13.660 10.798 1.00 0.00 C ATOM 985 CD ARG A 62 6.637 13.275 10.217 1.00 0.00 C ATOM 986 NE ARG A 62 6.714 12.902 8.795 1.00 0.00 N ATOM 987 CZ ARG A 62 6.381 11.725 8.245 1.00 0.00 C ATOM 988 NH1 ARG A 62 6.035 10.660 8.974 1.00 0.00 N ATOM 989 NH2 ARG A 62 6.377 11.600 6.918 1.00 0.00 N ATOM 0 H ARG A 62 8.601 16.417 11.609 1.00 0.00 H new ATOM 0 HA ARG A 62 10.448 14.452 11.194 1.00 0.00 H new ATOM 0 HB2 ARG A 62 8.074 15.477 9.633 1.00 0.00 H new ATOM 0 HB3 ARG A 62 9.043 14.173 8.975 1.00 0.00 H new ATOM 0 HG2 ARG A 62 8.613 12.763 10.919 1.00 0.00 H new ATOM 0 HG3 ARG A 62 7.870 14.090 11.790 1.00 0.00 H new ATOM 0 HD2 ARG A 62 6.225 12.442 10.786 1.00 0.00 H new ATOM 0 HD3 ARG A 62 5.948 14.111 10.333 1.00 0.00 H new ATOM 0 HE ARG A 62 7.059 13.619 8.157 1.00 0.00 H new ATOM 0 HH11 ARG A 62 6.017 10.723 9.992 1.00 0.00 H new ATOM 0 HH12 ARG A 62 5.789 9.784 8.513 1.00 0.00 H new ATOM 0 HH21 ARG A 62 6.626 12.396 6.330 1.00 0.00 H new ATOM 0 HH22 ARG A 62 6.125 10.709 6.490 1.00 0.00 H new ATOM 1068 N GLU A 67 14.248 14.634 4.156 1.00 0.00 N ATOM 1069 CA GLU A 67 13.233 14.260 3.191 1.00 0.00 C ATOM 1070 C GLU A 67 12.693 12.919 3.681 1.00 0.00 C ATOM 1071 O GLU A 67 13.480 12.039 4.028 1.00 0.00 O ATOM 1072 CB GLU A 67 13.823 14.131 1.784 1.00 0.00 C ATOM 1073 CG GLU A 67 14.537 15.416 1.345 1.00 0.00 C ATOM 1074 CD GLU A 67 14.543 15.548 -0.174 1.00 0.00 C ATOM 1075 OE1 GLU A 67 13.446 15.807 -0.716 1.00 0.00 O ATOM 1076 OE2 GLU A 67 15.633 15.382 -0.760 1.00 0.00 O ATOM 0 HA GLU A 67 12.450 15.014 3.118 1.00 0.00 H new ATOM 0 HB2 GLU A 67 14.526 13.298 1.760 1.00 0.00 H new ATOM 0 HB3 GLU A 67 13.028 13.897 1.076 1.00 0.00 H new ATOM 0 HG2 GLU A 67 14.041 16.280 1.786 1.00 0.00 H new ATOM 0 HG3 GLU A 67 15.562 15.412 1.717 1.00 0.00 H new ATOM 1083 N VAL A 68 11.374 12.775 3.746 1.00 0.00 N ATOM 1084 CA VAL A 68 10.723 11.568 4.218 1.00 0.00 C ATOM 1085 C VAL A 68 10.572 10.592 3.048 1.00 0.00 C ATOM 1086 O VAL A 68 10.217 10.993 1.937 1.00 0.00 O ATOM 1087 CB VAL A 68 9.393 11.909 4.918 1.00 0.00 C ATOM 1088 CG1 VAL A 68 9.678 12.570 6.272 1.00 0.00 C ATOM 1089 CG2 VAL A 68 8.471 12.811 4.091 1.00 0.00 C ATOM 0 H VAL A 68 10.721 13.507 3.467 1.00 0.00 H new ATOM 0 HA VAL A 68 11.333 11.073 4.974 1.00 0.00 H new ATOM 0 HB VAL A 68 8.864 10.965 5.049 1.00 0.00 H new ATOM 0 HG11 VAL A 68 8.736 12.810 6.765 1.00 0.00 H new ATOM 0 HG12 VAL A 68 10.251 11.886 6.898 1.00 0.00 H new ATOM 0 HG13 VAL A 68 10.250 13.485 6.117 1.00 0.00 H new ATOM 0 HG21 VAL A 68 7.556 13.006 4.650 1.00 0.00 H new ATOM 0 HG22 VAL A 68 8.976 13.754 3.882 1.00 0.00 H new ATOM 0 HG23 VAL A 68 8.224 12.316 3.152 1.00 0.00 H new ATOM 1099 N ASN A 69 10.883 9.316 3.292 1.00 0.00 N ATOM 1100 CA ASN A 69 10.728 8.244 2.316 1.00 0.00 C ATOM 1101 C ASN A 69 9.276 7.777 2.241 1.00 0.00 C ATOM 1102 O ASN A 69 8.454 8.155 3.077 1.00 0.00 O ATOM 1103 CB ASN A 69 11.700 7.087 2.606 1.00 0.00 C ATOM 1104 CG ASN A 69 11.334 6.240 3.828 1.00 0.00 C ATOM 1105 OD1 ASN A 69 10.199 5.797 3.985 1.00 0.00 O ATOM 1106 ND2 ASN A 69 12.298 5.979 4.704 1.00 0.00 N ATOM 0 H ASN A 69 11.255 8.998 4.187 1.00 0.00 H new ATOM 0 HA ASN A 69 10.987 8.636 1.332 1.00 0.00 H new ATOM 0 HB2 ASN A 69 11.744 6.439 1.731 1.00 0.00 H new ATOM 0 HB3 ASN A 69 12.700 7.497 2.750 1.00 0.00 H new ATOM 0 HD21 ASN A 69 12.101 5.403 5.522 1.00 0.00 H new ATOM 0 HD22 ASN A 69 13.235 6.355 4.558 1.00 0.00 H new ATOM 1113 N PHE A 70 8.974 6.929 1.253 1.00 0.00 N ATOM 1114 CA PHE A 70 7.658 6.322 1.087 1.00 0.00 C ATOM 1115 C PHE A 70 7.051 5.846 2.412 1.00 0.00 C ATOM 1116 O PHE A 70 5.987 6.320 2.800 1.00 0.00 O ATOM 1117 CB PHE A 70 7.723 5.185 0.060 1.00 0.00 C ATOM 1118 CG PHE A 70 6.390 4.495 -0.175 1.00 0.00 C ATOM 1119 CD1 PHE A 70 5.312 5.220 -0.715 1.00 0.00 C ATOM 1120 CD2 PHE A 70 6.214 3.142 0.174 1.00 0.00 C ATOM 1121 CE1 PHE A 70 4.079 4.588 -0.951 1.00 0.00 C ATOM 1122 CE2 PHE A 70 4.978 2.513 -0.054 1.00 0.00 C ATOM 1123 CZ PHE A 70 3.912 3.232 -0.620 1.00 0.00 C ATOM 0 H PHE A 70 9.646 6.644 0.541 1.00 0.00 H new ATOM 0 HA PHE A 70 6.990 7.097 0.711 1.00 0.00 H new ATOM 0 HB2 PHE A 70 8.087 5.583 -0.887 1.00 0.00 H new ATOM 0 HB3 PHE A 70 8.450 4.446 0.396 1.00 0.00 H new ATOM 0 HD1 PHE A 70 5.433 6.267 -0.949 1.00 0.00 H new ATOM 0 HD2 PHE A 70 7.029 2.588 0.617 1.00 0.00 H new ATOM 0 HE1 PHE A 70 3.261 5.143 -1.386 1.00 0.00 H new ATOM 0 HE2 PHE A 70 4.847 1.473 0.207 1.00 0.00 H new ATOM 0 HZ PHE A 70 2.966 2.744 -0.801 1.00 0.00 H new ATOM 1133 N GLN A 71 7.702 4.934 3.140 1.00 0.00 N ATOM 1134 CA GLN A 71 7.104 4.398 4.357 1.00 0.00 C ATOM 1135 C GLN A 71 6.920 5.494 5.410 1.00 0.00 C ATOM 1136 O GLN A 71 5.956 5.454 6.168 1.00 0.00 O ATOM 1137 CB GLN A 71 7.902 3.211 4.911 1.00 0.00 C ATOM 1138 CG GLN A 71 7.069 2.371 5.899 1.00 0.00 C ATOM 1139 CD GLN A 71 5.976 1.573 5.195 1.00 0.00 C ATOM 1140 OE1 GLN A 71 6.267 0.666 4.424 1.00 0.00 O ATOM 1141 NE2 GLN A 71 4.712 1.889 5.462 1.00 0.00 N ATOM 0 H GLN A 71 8.623 4.560 2.911 1.00 0.00 H new ATOM 0 HA GLN A 71 6.116 4.020 4.096 1.00 0.00 H new ATOM 0 HB2 GLN A 71 8.233 2.579 4.087 1.00 0.00 H new ATOM 0 HB3 GLN A 71 8.798 3.578 5.412 1.00 0.00 H new ATOM 0 HG2 GLN A 71 7.726 1.688 6.437 1.00 0.00 H new ATOM 0 HG3 GLN A 71 6.616 3.029 6.641 1.00 0.00 H new ATOM 0 HE21 GLN A 71 4.502 2.649 6.109 1.00 0.00 H new ATOM 0 HE22 GLN A 71 3.953 1.371 5.020 1.00 0.00 H new ATOM 1150 N GLU A 72 7.814 6.483 5.474 1.00 0.00 N ATOM 1151 CA GLU A 72 7.637 7.617 6.377 1.00 0.00 C ATOM 1152 C GLU A 72 6.404 8.440 5.982 1.00 0.00 C ATOM 1153 O GLU A 72 5.636 8.870 6.848 1.00 0.00 O ATOM 1154 CB GLU A 72 8.903 8.473 6.413 1.00 0.00 C ATOM 1155 CG GLU A 72 10.071 7.718 7.060 1.00 0.00 C ATOM 1156 CD GLU A 72 11.353 8.541 7.002 1.00 0.00 C ATOM 1157 OE1 GLU A 72 11.830 8.755 5.867 1.00 0.00 O ATOM 1158 OE2 GLU A 72 11.821 8.951 8.084 1.00 0.00 O ATOM 0 H GLU A 72 8.665 6.520 4.912 1.00 0.00 H new ATOM 0 HA GLU A 72 7.465 7.239 7.385 1.00 0.00 H new ATOM 0 HB2 GLU A 72 9.175 8.766 5.399 1.00 0.00 H new ATOM 0 HB3 GLU A 72 8.708 9.390 6.969 1.00 0.00 H new ATOM 0 HG2 GLU A 72 9.829 7.487 8.098 1.00 0.00 H new ATOM 0 HG3 GLU A 72 10.222 6.767 6.549 1.00 0.00 H new ATOM 1165 N TYR A 73 6.190 8.672 4.685 1.00 0.00 N ATOM 1166 CA TYR A 73 4.950 9.259 4.182 1.00 0.00 C ATOM 1167 C TYR A 73 3.760 8.409 4.645 1.00 0.00 C ATOM 1168 O TYR A 73 2.814 8.927 5.238 1.00 0.00 O ATOM 1169 CB TYR A 73 5.013 9.425 2.653 1.00 0.00 C ATOM 1170 CG TYR A 73 3.705 9.214 1.908 1.00 0.00 C ATOM 1171 CD1 TYR A 73 2.767 10.258 1.799 1.00 0.00 C ATOM 1172 CD2 TYR A 73 3.442 7.979 1.285 1.00 0.00 C ATOM 1173 CE1 TYR A 73 1.605 10.081 1.025 1.00 0.00 C ATOM 1174 CE2 TYR A 73 2.260 7.789 0.554 1.00 0.00 C ATOM 1175 CZ TYR A 73 1.365 8.856 0.381 1.00 0.00 C ATOM 1176 OH TYR A 73 0.278 8.711 -0.427 1.00 0.00 O ATOM 0 H TYR A 73 6.871 8.458 3.957 1.00 0.00 H new ATOM 0 HA TYR A 73 4.816 10.260 4.592 1.00 0.00 H new ATOM 0 HB2 TYR A 73 5.378 10.428 2.431 1.00 0.00 H new ATOM 0 HB3 TYR A 73 5.749 8.724 2.261 1.00 0.00 H new ATOM 0 HD1 TYR A 73 2.939 11.194 2.309 1.00 0.00 H new ATOM 0 HD2 TYR A 73 4.155 7.173 1.371 1.00 0.00 H new ATOM 0 HE1 TYR A 73 0.896 10.889 0.926 1.00 0.00 H new ATOM 0 HE2 TYR A 73 2.039 6.823 0.125 1.00 0.00 H new ATOM 0 HH TYR A 73 0.439 7.984 -1.064 1.00 0.00 H new ATOM 1186 N ILE A 74 3.821 7.096 4.427 1.00 0.00 N ATOM 1187 CA ILE A 74 2.782 6.194 4.902 1.00 0.00 C ATOM 1188 C ILE A 74 2.606 6.331 6.420 1.00 0.00 C ATOM 1189 O ILE A 74 1.484 6.271 6.907 1.00 0.00 O ATOM 1190 CB ILE A 74 3.074 4.738 4.505 1.00 0.00 C ATOM 1191 CG1 ILE A 74 3.185 4.495 2.986 1.00 0.00 C ATOM 1192 CG2 ILE A 74 1.990 3.830 5.071 1.00 0.00 C ATOM 1193 CD1 ILE A 74 1.860 4.628 2.228 1.00 0.00 C ATOM 0 H ILE A 74 4.580 6.637 3.924 1.00 0.00 H new ATOM 0 HA ILE A 74 1.845 6.477 4.422 1.00 0.00 H new ATOM 0 HB ILE A 74 4.054 4.509 4.924 1.00 0.00 H new ATOM 0 HG12 ILE A 74 3.902 5.202 2.568 1.00 0.00 H new ATOM 0 HG13 ILE A 74 3.588 3.496 2.818 1.00 0.00 H new ATOM 0 HG21 ILE A 74 2.197 2.797 4.790 1.00 0.00 H new ATOM 0 HG22 ILE A 74 1.976 3.914 6.158 1.00 0.00 H new ATOM 0 HG23 ILE A 74 1.021 4.128 4.671 1.00 0.00 H new ATOM 0 HD11 ILE A 74 2.027 4.442 1.167 1.00 0.00 H new ATOM 0 HD12 ILE A 74 1.145 3.902 2.615 1.00 0.00 H new ATOM 0 HD13 ILE A 74 1.464 5.635 2.362 1.00 0.00 H new ATOM 1205 N THR A 75 3.687 6.516 7.182 1.00 0.00 N ATOM 1206 CA THR A 75 3.604 6.722 8.623 1.00 0.00 C ATOM 1207 C THR A 75 2.832 8.005 8.924 1.00 0.00 C ATOM 1208 O THR A 75 2.026 8.030 9.848 1.00 0.00 O ATOM 1209 CB THR A 75 4.994 6.707 9.276 1.00 0.00 C ATOM 1210 OG1 THR A 75 5.678 5.523 8.916 1.00 0.00 O ATOM 1211 CG2 THR A 75 4.895 6.732 10.804 1.00 0.00 C ATOM 0 H THR A 75 4.639 6.527 6.816 1.00 0.00 H new ATOM 0 HA THR A 75 3.054 5.891 9.064 1.00 0.00 H new ATOM 0 HB THR A 75 5.525 7.593 8.929 1.00 0.00 H new ATOM 0 HG1 THR A 75 5.893 5.547 7.960 1.00 0.00 H new ATOM 0 HG21 THR A 75 5.897 6.721 11.234 1.00 0.00 H new ATOM 0 HG22 THR A 75 4.375 7.636 11.120 1.00 0.00 H new ATOM 0 HG23 THR A 75 4.343 5.857 11.147 1.00 0.00 H new ATOM 1219 N PHE A 76 3.042 9.064 8.136 1.00 0.00 N ATOM 1220 CA PHE A 76 2.248 10.284 8.246 1.00 0.00 C ATOM 1221 C PHE A 76 0.758 9.940 8.110 1.00 0.00 C ATOM 1222 O PHE A 76 -0.046 10.252 8.986 1.00 0.00 O ATOM 1223 CB PHE A 76 2.707 11.298 7.187 1.00 0.00 C ATOM 1224 CG PHE A 76 2.357 12.747 7.457 1.00 0.00 C ATOM 1225 CD1 PHE A 76 3.110 13.484 8.392 1.00 0.00 C ATOM 1226 CD2 PHE A 76 1.439 13.411 6.622 1.00 0.00 C ATOM 1227 CE1 PHE A 76 2.939 14.874 8.497 1.00 0.00 C ATOM 1228 CE2 PHE A 76 1.289 14.805 6.708 1.00 0.00 C ATOM 1229 CZ PHE A 76 2.033 15.536 7.647 1.00 0.00 C ATOM 0 H PHE A 76 3.760 9.097 7.412 1.00 0.00 H new ATOM 0 HA PHE A 76 2.395 10.742 9.224 1.00 0.00 H new ATOM 0 HB2 PHE A 76 3.789 11.220 7.083 1.00 0.00 H new ATOM 0 HB3 PHE A 76 2.274 11.013 6.228 1.00 0.00 H new ATOM 0 HD1 PHE A 76 3.820 12.979 9.030 1.00 0.00 H new ATOM 0 HD2 PHE A 76 0.849 12.848 5.914 1.00 0.00 H new ATOM 0 HE1 PHE A 76 3.502 15.434 9.229 1.00 0.00 H new ATOM 0 HE2 PHE A 76 0.600 15.315 6.051 1.00 0.00 H new ATOM 0 HZ PHE A 76 1.910 16.607 7.717 1.00 0.00 H new ATOM 1239 N LEU A 77 0.392 9.251 7.024 1.00 0.00 N ATOM 1240 CA LEU A 77 -0.998 8.869 6.782 1.00 0.00 C ATOM 1241 C LEU A 77 -1.546 7.961 7.890 1.00 0.00 C ATOM 1242 O LEU A 77 -2.667 8.144 8.358 1.00 0.00 O ATOM 1243 CB LEU A 77 -1.141 8.176 5.421 1.00 0.00 C ATOM 1244 CG LEU A 77 -0.668 9.006 4.217 1.00 0.00 C ATOM 1245 CD1 LEU A 77 -1.025 8.231 2.944 1.00 0.00 C ATOM 1246 CD2 LEU A 77 -1.302 10.403 4.165 1.00 0.00 C ATOM 0 H LEU A 77 1.042 8.947 6.299 1.00 0.00 H new ATOM 0 HA LEU A 77 -1.585 9.787 6.781 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -0.578 7.243 5.444 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -2.188 7.912 5.273 1.00 0.00 H new ATOM 0 HG LEU A 77 0.407 9.159 4.309 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -0.701 8.797 2.071 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -0.525 7.263 2.955 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -2.104 8.082 2.899 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -0.928 10.940 3.293 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -2.386 10.308 4.096 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -1.043 10.954 5.069 1.00 0.00 H new ATOM 1258 N GLY A 78 -0.770 6.961 8.298 1.00 0.00 N ATOM 1259 CA GLY A 78 -1.169 5.980 9.290 1.00 0.00 C ATOM 1260 C GLY A 78 -1.365 6.643 10.648 1.00 0.00 C ATOM 1261 O GLY A 78 -2.367 6.406 11.314 1.00 0.00 O ATOM 0 H GLY A 78 0.172 6.811 7.938 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -2.094 5.495 8.979 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -0.410 5.201 9.365 1.00 0.00 H new ATOM 1265 N ALA A 79 -0.435 7.505 11.056 1.00 0.00 N ATOM 1266 CA ALA A 79 -0.563 8.269 12.284 1.00 0.00 C ATOM 1267 C ALA A 79 -1.781 9.195 12.206 1.00 0.00 C ATOM 1268 O ALA A 79 -2.568 9.246 13.148 1.00 0.00 O ATOM 1269 CB ALA A 79 0.736 9.026 12.561 1.00 0.00 C ATOM 0 H ALA A 79 0.426 7.689 10.541 1.00 0.00 H new ATOM 0 HA ALA A 79 -0.731 7.595 13.124 1.00 0.00 H new ATOM 0 HB1 ALA A 79 0.634 9.598 13.484 1.00 0.00 H new ATOM 0 HB2 ALA A 79 1.556 8.316 12.663 1.00 0.00 H new ATOM 0 HB3 ALA A 79 0.945 9.705 11.734 1.00 0.00 H new ATOM 1275 N LEU A 80 -1.971 9.907 11.089 1.00 0.00 N ATOM 1276 CA LEU A 80 -3.162 10.729 10.880 1.00 0.00 C ATOM 1277 C LEU A 80 -4.420 9.892 11.130 1.00 0.00 C ATOM 1278 O LEU A 80 -5.266 10.239 11.959 1.00 0.00 O ATOM 1279 CB LEU A 80 -3.148 11.305 9.454 1.00 0.00 C ATOM 1280 CG LEU A 80 -4.385 12.146 9.108 1.00 0.00 C ATOM 1281 CD1 LEU A 80 -4.231 13.564 9.650 1.00 0.00 C ATOM 1282 CD2 LEU A 80 -4.565 12.212 7.590 1.00 0.00 C ATOM 0 H LEU A 80 -1.309 9.928 10.313 1.00 0.00 H new ATOM 0 HA LEU A 80 -3.165 11.561 11.584 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -2.257 11.920 9.331 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -3.069 10.483 8.742 1.00 0.00 H new ATOM 0 HG LEU A 80 -5.257 11.677 9.563 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -5.116 14.148 9.397 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -4.117 13.529 10.733 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -3.350 14.029 9.207 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -5.445 12.810 7.354 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -3.684 12.668 7.139 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -4.695 11.204 7.195 1.00 0.00 H new ATOM 1294 N ALA A 81 -4.518 8.778 10.400 1.00 0.00 N ATOM 1295 CA ALA A 81 -5.607 7.827 10.502 1.00 0.00 C ATOM 1296 C ALA A 81 -5.831 7.419 11.954 1.00 0.00 C ATOM 1297 O ALA A 81 -6.953 7.518 12.444 1.00 0.00 O ATOM 1298 CB ALA A 81 -5.305 6.605 9.631 1.00 0.00 C ATOM 0 H ALA A 81 -3.819 8.514 9.706 1.00 0.00 H new ATOM 0 HA ALA A 81 -6.524 8.296 10.144 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -6.125 5.891 9.709 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -5.193 6.917 8.593 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -4.382 6.136 9.970 1.00 0.00 H new ATOM 1304 N MET A 82 -4.769 6.965 12.623 1.00 0.00 N ATOM 1305 CA MET A 82 -4.783 6.511 14.002 1.00 0.00 C ATOM 1306 C MET A 82 -5.341 7.597 14.925 1.00 0.00 C ATOM 1307 O MET A 82 -6.220 7.322 15.738 1.00 0.00 O ATOM 1308 CB MET A 82 -3.360 6.088 14.400 1.00 0.00 C ATOM 1309 CG MET A 82 -3.300 5.412 15.774 1.00 0.00 C ATOM 1310 SD MET A 82 -1.636 5.144 16.442 1.00 0.00 S ATOM 1311 CE MET A 82 -0.905 4.075 15.181 1.00 0.00 C ATOM 0 H MET A 82 -3.844 6.904 12.197 1.00 0.00 H new ATOM 0 HA MET A 82 -5.442 5.649 14.103 1.00 0.00 H new ATOM 0 HB2 MET A 82 -2.966 5.405 13.647 1.00 0.00 H new ATOM 0 HB3 MET A 82 -2.713 6.966 14.404 1.00 0.00 H new ATOM 0 HG2 MET A 82 -3.863 6.019 16.483 1.00 0.00 H new ATOM 0 HG3 MET A 82 -3.805 4.448 15.708 1.00 0.00 H new ATOM 0 HE1 MET A 82 0.064 3.715 15.527 1.00 0.00 H new ATOM 0 HE2 MET A 82 -1.563 3.226 14.998 1.00 0.00 H new ATOM 0 HE3 MET A 82 -0.774 4.639 14.257 1.00 0.00 H new ATOM 1321 N ILE A 83 -4.816 8.823 14.827 1.00 0.00 N ATOM 1322 CA ILE A 83 -5.219 9.893 15.725 1.00 0.00 C ATOM 1323 C ILE A 83 -6.690 10.259 15.489 1.00 0.00 C ATOM 1324 O ILE A 83 -7.448 10.300 16.460 1.00 0.00 O ATOM 1325 CB ILE A 83 -4.286 11.117 15.638 1.00 0.00 C ATOM 1326 CG1 ILE A 83 -2.820 10.798 15.979 1.00 0.00 C ATOM 1327 CG2 ILE A 83 -4.769 12.205 16.615 1.00 0.00 C ATOM 1328 CD1 ILE A 83 -1.894 11.914 15.475 1.00 0.00 C ATOM 0 H ILE A 83 -4.115 9.091 14.136 1.00 0.00 H new ATOM 0 HA ILE A 83 -5.125 9.527 16.747 1.00 0.00 H new ATOM 0 HB ILE A 83 -4.325 11.452 14.601 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -2.708 10.684 17.057 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -2.534 9.848 15.527 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -4.108 13.070 16.552 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -5.784 12.504 16.354 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -4.757 11.812 17.632 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -0.861 11.671 15.725 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -1.993 12.008 14.394 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -2.170 12.857 15.948 1.00 0.00 H new ATOM 1340 N TYR A 84 -7.111 10.567 14.247 1.00 0.00 N ATOM 1341 CA TYR A 84 -8.497 10.999 14.049 1.00 0.00 C ATOM 1342 C TYR A 84 -9.505 9.849 14.143 1.00 0.00 C ATOM 1343 O TYR A 84 -10.555 10.019 14.762 1.00 0.00 O ATOM 1344 CB TYR A 84 -8.739 12.070 12.965 1.00 0.00 C ATOM 1345 CG TYR A 84 -8.254 11.923 11.534 1.00 0.00 C ATOM 1346 CD1 TYR A 84 -8.432 10.724 10.820 1.00 0.00 C ATOM 1347 CD2 TYR A 84 -7.999 13.111 10.820 1.00 0.00 C ATOM 1348 CE1 TYR A 84 -8.369 10.720 9.413 1.00 0.00 C ATOM 1349 CE2 TYR A 84 -7.896 13.105 9.422 1.00 0.00 C ATOM 1350 CZ TYR A 84 -8.124 11.915 8.712 1.00 0.00 C ATOM 1351 OH TYR A 84 -8.185 11.943 7.350 1.00 0.00 O ATOM 0 H TYR A 84 -6.538 10.527 13.404 1.00 0.00 H new ATOM 0 HA TYR A 84 -8.724 11.607 14.925 1.00 0.00 H new ATOM 0 HB2 TYR A 84 -9.818 12.218 12.912 1.00 0.00 H new ATOM 0 HB3 TYR A 84 -8.308 12.997 13.344 1.00 0.00 H new ATOM 0 HD1 TYR A 84 -8.618 9.803 11.353 1.00 0.00 H new ATOM 0 HD2 TYR A 84 -7.881 14.040 11.358 1.00 0.00 H new ATOM 0 HE1 TYR A 84 -8.509 9.797 8.870 1.00 0.00 H new ATOM 0 HE2 TYR A 84 -7.642 14.012 8.893 1.00 0.00 H new ATOM 0 HH TYR A 84 -8.863 11.307 7.040 1.00 0.00 H new ATOM 1361 N ASN A 85 -9.185 8.649 13.646 1.00 0.00 N ATOM 1362 CA ASN A 85 -10.004 7.467 13.927 1.00 0.00 C ATOM 1363 C ASN A 85 -9.577 6.931 15.289 1.00 0.00 C ATOM 1364 O ASN A 85 -9.104 5.799 15.393 1.00 0.00 O ATOM 1365 CB ASN A 85 -9.878 6.368 12.861 1.00 0.00 C ATOM 1366 CG ASN A 85 -10.225 6.844 11.462 1.00 0.00 C ATOM 1367 OD1 ASN A 85 -11.365 6.752 11.018 1.00 0.00 O ATOM 1368 ND2 ASN A 85 -9.223 7.333 10.745 1.00 0.00 N ATOM 0 H ASN A 85 -8.374 8.472 13.054 1.00 0.00 H new ATOM 0 HA ASN A 85 -11.053 7.763 13.918 1.00 0.00 H new ATOM 0 HB2 ASN A 85 -8.858 5.984 12.864 1.00 0.00 H new ATOM 0 HB3 ASN A 85 -10.532 5.537 13.127 1.00 0.00 H new ATOM 0 HD21 ASN A 85 -9.386 7.649 9.789 1.00 0.00 H new ATOM 0 HD22 ASN A 85 -8.289 7.394 11.149 1.00 0.00 H new ATOM 1375 N GLU A 86 -9.750 7.757 16.326 1.00 0.00 N ATOM 1376 CA GLU A 86 -9.307 7.489 17.687 1.00 0.00 C ATOM 1377 C GLU A 86 -9.633 6.059 18.135 1.00 0.00 C ATOM 1378 O GLU A 86 -8.822 5.422 18.808 1.00 0.00 O ATOM 1379 CB GLU A 86 -9.814 8.573 18.659 1.00 0.00 C ATOM 1380 CG GLU A 86 -11.206 9.167 18.375 1.00 0.00 C ATOM 1381 CD GLU A 86 -12.318 8.126 18.377 1.00 0.00 C ATOM 1382 OE1 GLU A 86 -12.823 7.833 19.482 1.00 0.00 O ATOM 1383 OE2 GLU A 86 -12.622 7.617 17.274 1.00 0.00 O ATOM 0 H GLU A 86 -10.218 8.658 16.232 1.00 0.00 H new ATOM 0 HA GLU A 86 -8.219 7.547 17.703 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -9.824 8.150 19.664 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -9.091 9.389 18.664 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -11.428 9.927 19.124 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -11.189 9.668 17.407 1.00 0.00 H new ATOM 1390 N ALA A 87 -10.797 5.561 17.705 1.00 0.00 N ATOM 1391 CA ALA A 87 -11.263 4.184 17.792 1.00 0.00 C ATOM 1392 C ALA A 87 -10.132 3.155 17.706 1.00 0.00 C ATOM 1393 O ALA A 87 -10.081 2.228 18.511 1.00 0.00 O ATOM 1394 CB ALA A 87 -12.258 3.956 16.649 1.00 0.00 C ATOM 0 H ALA A 87 -11.487 6.161 17.253 1.00 0.00 H new ATOM 0 HA ALA A 87 -11.727 4.043 18.768 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -12.627 2.931 16.686 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -13.095 4.647 16.752 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -11.761 4.128 15.694 1.00 0.00 H new ATOM 1400 N LEU A 88 -9.241 3.300 16.718 1.00 0.00 N ATOM 1401 CA LEU A 88 -8.151 2.363 16.482 1.00 0.00 C ATOM 1402 C LEU A 88 -7.282 2.146 17.721 1.00 0.00 C ATOM 1403 O LEU A 88 -6.753 1.051 17.895 1.00 0.00 O ATOM 1404 CB LEU A 88 -7.280 2.838 15.308 1.00 0.00 C ATOM 1405 CG LEU A 88 -7.912 2.585 13.929 1.00 0.00 C ATOM 1406 CD1 LEU A 88 -7.115 3.339 12.859 1.00 0.00 C ATOM 1407 CD2 LEU A 88 -7.902 1.089 13.575 1.00 0.00 C ATOM 0 H LEU A 88 -9.262 4.078 16.059 1.00 0.00 H new ATOM 0 HA LEU A 88 -8.608 1.405 16.235 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -7.086 3.905 15.419 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -6.316 2.332 15.354 1.00 0.00 H new ATOM 0 HG LEU A 88 -8.944 2.934 13.964 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -7.561 3.161 11.880 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -7.133 4.407 13.077 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -6.084 2.986 12.857 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -8.356 0.944 12.595 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -6.874 0.726 13.557 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -8.469 0.534 14.323 1.00 0.00 H new ATOM 1469 N ALA B 2 -14.432 12.825 2.805 1.00 0.00 N ATOM 1470 CA ALA B 2 -13.734 11.590 2.474 1.00 0.00 C ATOM 1471 C ALA B 2 -13.073 11.693 1.097 1.00 0.00 C ATOM 1472 O ALA B 2 -13.511 11.087 0.122 1.00 0.00 O ATOM 1473 CB ALA B 2 -14.680 10.391 2.574 1.00 0.00 C ATOM 0 HA ALA B 2 -12.937 11.432 3.201 1.00 0.00 H new ATOM 0 HB1 ALA B 2 -14.139 9.479 2.323 1.00 0.00 H new ATOM 0 HB2 ALA B 2 -15.066 10.316 3.591 1.00 0.00 H new ATOM 0 HB3 ALA B 2 -15.510 10.523 1.880 1.00 0.00 H new ATOM 1479 N SER B 3 -12.006 12.486 1.043 1.00 0.00 N ATOM 1480 CA SER B 3 -11.187 12.732 -0.131 1.00 0.00 C ATOM 1481 C SER B 3 -10.532 11.414 -0.576 1.00 0.00 C ATOM 1482 O SER B 3 -10.484 10.484 0.228 1.00 0.00 O ATOM 1483 CB SER B 3 -10.141 13.786 0.255 1.00 0.00 C ATOM 1484 OG SER B 3 -10.732 14.901 0.911 1.00 0.00 O ATOM 0 H SER B 3 -11.676 12.998 1.861 1.00 0.00 H new ATOM 0 HA SER B 3 -11.778 13.101 -0.969 1.00 0.00 H new ATOM 0 HB2 SER B 3 -9.394 13.335 0.908 1.00 0.00 H new ATOM 0 HB3 SER B 3 -9.619 14.125 -0.640 1.00 0.00 H new ATOM 0 HG SER B 3 -10.036 15.551 1.143 1.00 0.00 H new ATOM 1490 N PRO B 4 -10.002 11.300 -1.807 1.00 0.00 N ATOM 1491 CA PRO B 4 -9.433 10.054 -2.314 1.00 0.00 C ATOM 1492 C PRO B 4 -8.465 9.394 -1.329 1.00 0.00 C ATOM 1493 O PRO B 4 -8.592 8.206 -1.035 1.00 0.00 O ATOM 1494 CB PRO B 4 -8.763 10.409 -3.644 1.00 0.00 C ATOM 1495 CG PRO B 4 -9.592 11.599 -4.127 1.00 0.00 C ATOM 1496 CD PRO B 4 -9.939 12.333 -2.831 1.00 0.00 C ATOM 0 HA PRO B 4 -10.213 9.305 -2.454 1.00 0.00 H new ATOM 0 HB2 PRO B 4 -7.714 10.673 -3.512 1.00 0.00 H new ATOM 0 HB3 PRO B 4 -8.796 9.579 -4.349 1.00 0.00 H new ATOM 0 HG2 PRO B 4 -9.026 12.233 -4.810 1.00 0.00 H new ATOM 0 HG3 PRO B 4 -10.487 11.277 -4.659 1.00 0.00 H new ATOM 0 HD2 PRO B 4 -9.184 13.081 -2.589 1.00 0.00 H new ATOM 0 HD3 PRO B 4 -10.890 12.858 -2.919 1.00 0.00 H new ATOM 1504 N LEU B 5 -7.527 10.174 -0.781 1.00 0.00 N ATOM 1505 CA LEU B 5 -6.660 9.696 0.287 1.00 0.00 C ATOM 1506 C LEU B 5 -7.461 9.128 1.455 1.00 0.00 C ATOM 1507 O LEU B 5 -7.195 8.013 1.888 1.00 0.00 O ATOM 1508 CB LEU B 5 -5.728 10.805 0.796 1.00 0.00 C ATOM 1509 CG LEU B 5 -4.282 10.738 0.291 1.00 0.00 C ATOM 1510 CD1 LEU B 5 -3.472 11.823 1.016 1.00 0.00 C ATOM 1511 CD2 LEU B 5 -3.617 9.384 0.586 1.00 0.00 C ATOM 0 H LEU B 5 -7.353 11.139 -1.064 1.00 0.00 H new ATOM 0 HA LEU B 5 -6.055 8.897 -0.141 1.00 0.00 H new ATOM 0 HB2 LEU B 5 -6.149 11.769 0.510 1.00 0.00 H new ATOM 0 HB3 LEU B 5 -5.715 10.773 1.885 1.00 0.00 H new ATOM 0 HG LEU B 5 -4.300 10.880 -0.790 1.00 0.00 H new ATOM 0 HD11 LEU B 5 -2.438 11.795 0.673 1.00 0.00 H new ATOM 0 HD12 LEU B 5 -3.900 12.802 0.800 1.00 0.00 H new ATOM 0 HD13 LEU B 5 -3.503 11.643 2.091 1.00 0.00 H new ATOM 0 HD21 LEU B 5 -2.595 9.391 0.208 1.00 0.00 H new ATOM 0 HD22 LEU B 5 -3.604 9.212 1.662 1.00 0.00 H new ATOM 0 HD23 LEU B 5 -4.180 8.588 0.098 1.00 0.00 H new ATOM 1523 N ASP B 6 -8.423 9.888 1.986 1.00 0.00 N ATOM 1524 CA ASP B 6 -9.179 9.458 3.154 1.00 0.00 C ATOM 1525 C ASP B 6 -9.946 8.174 2.853 1.00 0.00 C ATOM 1526 O ASP B 6 -10.029 7.295 3.703 1.00 0.00 O ATOM 1527 CB ASP B 6 -10.136 10.549 3.634 1.00 0.00 C ATOM 1528 CG ASP B 6 -10.708 10.194 5.002 1.00 0.00 C ATOM 1529 OD1 ASP B 6 -9.945 10.332 5.987 1.00 0.00 O ATOM 1530 OD2 ASP B 6 -11.892 9.797 5.039 1.00 0.00 O ATOM 0 H ASP B 6 -8.693 10.802 1.622 1.00 0.00 H new ATOM 0 HA ASP B 6 -8.466 9.262 3.955 1.00 0.00 H new ATOM 0 HB2 ASP B 6 -9.611 11.503 3.689 1.00 0.00 H new ATOM 0 HB3 ASP B 6 -10.946 10.672 2.915 1.00 0.00 H new ATOM 1535 N GLN B 7 -10.497 8.058 1.643 1.00 0.00 N ATOM 1536 CA GLN B 7 -11.194 6.864 1.195 1.00 0.00 C ATOM 1537 C GLN B 7 -10.232 5.673 1.156 1.00 0.00 C ATOM 1538 O GLN B 7 -10.524 4.613 1.704 1.00 0.00 O ATOM 1539 CB GLN B 7 -11.832 7.142 -0.175 1.00 0.00 C ATOM 1540 CG GLN B 7 -12.725 5.994 -0.666 1.00 0.00 C ATOM 1541 CD GLN B 7 -13.886 5.702 0.280 1.00 0.00 C ATOM 1542 OE1 GLN B 7 -14.050 4.581 0.745 1.00 0.00 O ATOM 1543 NE2 GLN B 7 -14.700 6.710 0.582 1.00 0.00 N ATOM 0 H GLN B 7 -10.468 8.801 0.944 1.00 0.00 H new ATOM 0 HA GLN B 7 -11.989 6.606 1.894 1.00 0.00 H new ATOM 0 HB2 GLN B 7 -12.424 8.055 -0.115 1.00 0.00 H new ATOM 0 HB3 GLN B 7 -11.044 7.320 -0.907 1.00 0.00 H new ATOM 0 HG2 GLN B 7 -13.119 6.242 -1.652 1.00 0.00 H new ATOM 0 HG3 GLN B 7 -12.121 5.094 -0.781 1.00 0.00 H new ATOM 0 HE21 GLN B 7 -14.539 7.633 0.180 1.00 0.00 H new ATOM 0 HE22 GLN B 7 -15.485 6.559 1.216 1.00 0.00 H new ATOM 1552 N ALA B 8 -9.078 5.838 0.508 1.00 0.00 N ATOM 1553 CA ALA B 8 -8.078 4.785 0.381 1.00 0.00 C ATOM 1554 C ALA B 8 -7.550 4.351 1.758 1.00 0.00 C ATOM 1555 O ALA B 8 -7.461 3.163 2.066 1.00 0.00 O ATOM 1556 CB ALA B 8 -6.956 5.294 -0.519 1.00 0.00 C ATOM 0 H ALA B 8 -8.812 6.712 0.055 1.00 0.00 H new ATOM 0 HA ALA B 8 -8.528 3.900 -0.069 1.00 0.00 H new ATOM 0 HB1 ALA B 8 -6.196 4.520 -0.627 1.00 0.00 H new ATOM 0 HB2 ALA B 8 -7.361 5.544 -1.500 1.00 0.00 H new ATOM 0 HB3 ALA B 8 -6.508 6.183 -0.074 1.00 0.00 H new ATOM 1562 N ILE B 9 -7.228 5.326 2.607 1.00 0.00 N ATOM 1563 CA ILE B 9 -6.908 5.104 4.009 1.00 0.00 C ATOM 1564 C ILE B 9 -8.049 4.311 4.650 1.00 0.00 C ATOM 1565 O ILE B 9 -7.807 3.278 5.262 1.00 0.00 O ATOM 1566 CB ILE B 9 -6.651 6.458 4.701 1.00 0.00 C ATOM 1567 CG1 ILE B 9 -5.300 7.032 4.233 1.00 0.00 C ATOM 1568 CG2 ILE B 9 -6.671 6.332 6.228 1.00 0.00 C ATOM 1569 CD1 ILE B 9 -5.121 8.506 4.608 1.00 0.00 C ATOM 0 H ILE B 9 -7.183 6.307 2.332 1.00 0.00 H new ATOM 0 HA ILE B 9 -5.995 4.519 4.119 1.00 0.00 H new ATOM 0 HB ILE B 9 -7.456 7.137 4.419 1.00 0.00 H new ATOM 0 HG12 ILE B 9 -4.491 6.449 4.672 1.00 0.00 H new ATOM 0 HG13 ILE B 9 -5.220 6.924 3.151 1.00 0.00 H new ATOM 0 HG21 ILE B 9 -6.486 7.308 6.676 1.00 0.00 H new ATOM 0 HG22 ILE B 9 -7.645 5.964 6.550 1.00 0.00 H new ATOM 0 HG23 ILE B 9 -5.896 5.634 6.546 1.00 0.00 H new ATOM 0 HD11 ILE B 9 -4.152 8.857 4.253 1.00 0.00 H new ATOM 0 HD12 ILE B 9 -5.912 9.097 4.147 1.00 0.00 H new ATOM 0 HD13 ILE B 9 -5.172 8.615 5.691 1.00 0.00 H new ATOM 1581 N GLY B 10 -9.289 4.774 4.479 1.00 0.00 N ATOM 1582 CA GLY B 10 -10.503 4.117 4.936 1.00 0.00 C ATOM 1583 C GLY B 10 -10.526 2.643 4.544 1.00 0.00 C ATOM 1584 O GLY B 10 -10.793 1.786 5.381 1.00 0.00 O ATOM 0 H GLY B 10 -9.476 5.654 3.998 1.00 0.00 H new ATOM 0 HA2 GLY B 10 -10.580 4.207 6.020 1.00 0.00 H new ATOM 0 HA3 GLY B 10 -11.372 4.620 4.512 1.00 0.00 H new ATOM 1588 N LEU B 11 -10.221 2.336 3.283 1.00 0.00 N ATOM 1589 CA LEU B 11 -10.063 0.969 2.811 1.00 0.00 C ATOM 1590 C LEU B 11 -9.028 0.219 3.661 1.00 0.00 C ATOM 1591 O LEU B 11 -9.350 -0.828 4.217 1.00 0.00 O ATOM 1592 CB LEU B 11 -9.722 0.964 1.311 1.00 0.00 C ATOM 1593 CG LEU B 11 -10.983 0.873 0.437 1.00 0.00 C ATOM 1594 CD1 LEU B 11 -10.780 1.580 -0.908 1.00 0.00 C ATOM 1595 CD2 LEU B 11 -11.318 -0.599 0.180 1.00 0.00 C ATOM 0 H LEU B 11 -10.076 3.038 2.558 1.00 0.00 H new ATOM 0 HA LEU B 11 -11.005 0.433 2.927 1.00 0.00 H new ATOM 0 HB2 LEU B 11 -9.172 1.871 1.061 1.00 0.00 H new ATOM 0 HB3 LEU B 11 -9.066 0.122 1.091 1.00 0.00 H new ATOM 0 HG LEU B 11 -11.800 1.363 0.967 1.00 0.00 H new ATOM 0 HD11 LEU B 11 -11.689 1.498 -1.503 1.00 0.00 H new ATOM 0 HD12 LEU B 11 -10.553 2.632 -0.735 1.00 0.00 H new ATOM 0 HD13 LEU B 11 -9.953 1.113 -1.443 1.00 0.00 H new ATOM 0 HD21 LEU B 11 -12.212 -0.666 -0.440 1.00 0.00 H new ATOM 0 HD22 LEU B 11 -10.484 -1.078 -0.333 1.00 0.00 H new ATOM 0 HD23 LEU B 11 -11.497 -1.103 1.130 1.00 0.00 H new ATOM 1607 N LEU B 12 -7.801 0.736 3.795 1.00 0.00 N ATOM 1608 CA LEU B 12 -6.770 0.071 4.602 1.00 0.00 C ATOM 1609 C LEU B 12 -7.237 -0.144 6.054 1.00 0.00 C ATOM 1610 O LEU B 12 -7.029 -1.224 6.618 1.00 0.00 O ATOM 1611 CB LEU B 12 -5.430 0.827 4.535 1.00 0.00 C ATOM 1612 CG LEU B 12 -4.531 0.364 3.372 1.00 0.00 C ATOM 1613 CD1 LEU B 12 -5.191 0.560 2.007 1.00 0.00 C ATOM 1614 CD2 LEU B 12 -3.211 1.143 3.376 1.00 0.00 C ATOM 0 H LEU B 12 -7.499 1.607 3.358 1.00 0.00 H new ATOM 0 HA LEU B 12 -6.604 -0.917 4.173 1.00 0.00 H new ATOM 0 HB2 LEU B 12 -5.627 1.894 4.431 1.00 0.00 H new ATOM 0 HB3 LEU B 12 -4.896 0.691 5.475 1.00 0.00 H new ATOM 0 HG LEU B 12 -4.356 -0.701 3.526 1.00 0.00 H new ATOM 0 HD11 LEU B 12 -4.515 0.218 1.223 1.00 0.00 H new ATOM 0 HD12 LEU B 12 -6.116 -0.015 1.964 1.00 0.00 H new ATOM 0 HD13 LEU B 12 -5.413 1.617 1.859 1.00 0.00 H new ATOM 0 HD21 LEU B 12 -2.587 0.805 2.549 1.00 0.00 H new ATOM 0 HD22 LEU B 12 -3.416 2.208 3.264 1.00 0.00 H new ATOM 0 HD23 LEU B 12 -2.690 0.971 4.318 1.00 0.00 H new ATOM 1626 N ILE B 13 -7.868 0.866 6.660 1.00 0.00 N ATOM 1627 CA ILE B 13 -8.480 0.757 7.985 1.00 0.00 C ATOM 1628 C ILE B 13 -9.496 -0.391 8.003 1.00 0.00 C ATOM 1629 O ILE B 13 -9.398 -1.274 8.846 1.00 0.00 O ATOM 1630 CB ILE B 13 -9.129 2.085 8.429 1.00 0.00 C ATOM 1631 CG1 ILE B 13 -8.068 3.184 8.613 1.00 0.00 C ATOM 1632 CG2 ILE B 13 -9.910 1.905 9.746 1.00 0.00 C ATOM 1633 CD1 ILE B 13 -8.712 4.547 8.888 1.00 0.00 C ATOM 0 H ILE B 13 -7.969 1.790 6.240 1.00 0.00 H new ATOM 0 HA ILE B 13 -7.691 0.536 8.704 1.00 0.00 H new ATOM 0 HB ILE B 13 -9.821 2.386 7.642 1.00 0.00 H new ATOM 0 HG12 ILE B 13 -7.408 2.919 9.439 1.00 0.00 H new ATOM 0 HG13 ILE B 13 -7.449 3.247 7.718 1.00 0.00 H new ATOM 0 HG21 ILE B 13 -10.357 2.856 10.037 1.00 0.00 H new ATOM 0 HG22 ILE B 13 -10.695 1.162 9.605 1.00 0.00 H new ATOM 0 HG23 ILE B 13 -9.230 1.569 10.529 1.00 0.00 H new ATOM 0 HD11 ILE B 13 -7.933 5.299 9.013 1.00 0.00 H new ATOM 0 HD12 ILE B 13 -9.352 4.823 8.050 1.00 0.00 H new ATOM 0 HD13 ILE B 13 -9.310 4.490 9.797 1.00 0.00 H new ATOM 1645 N GLY B 14 -10.479 -0.381 7.101 1.00 0.00 N ATOM 1646 CA GLY B 14 -11.529 -1.391 7.041 1.00 0.00 C ATOM 1647 C GLY B 14 -10.931 -2.786 6.910 1.00 0.00 C ATOM 1648 O GLY B 14 -11.290 -3.698 7.654 1.00 0.00 O ATOM 0 H GLY B 14 -10.566 0.339 6.384 1.00 0.00 H new ATOM 0 HA2 GLY B 14 -12.144 -1.337 7.940 1.00 0.00 H new ATOM 0 HA3 GLY B 14 -12.185 -1.190 6.194 1.00 0.00 H new ATOM 1652 N ILE B 15 -9.992 -2.939 5.976 1.00 0.00 N ATOM 1653 CA ILE B 15 -9.254 -4.175 5.786 1.00 0.00 C ATOM 1654 C ILE B 15 -8.619 -4.614 7.107 1.00 0.00 C ATOM 1655 O ILE B 15 -8.744 -5.775 7.480 1.00 0.00 O ATOM 1656 CB ILE B 15 -8.214 -3.993 4.671 1.00 0.00 C ATOM 1657 CG1 ILE B 15 -8.875 -3.835 3.286 1.00 0.00 C ATOM 1658 CG2 ILE B 15 -7.213 -5.151 4.687 1.00 0.00 C ATOM 1659 CD1 ILE B 15 -9.370 -5.143 2.664 1.00 0.00 C ATOM 0 H ILE B 15 -9.724 -2.198 5.328 1.00 0.00 H new ATOM 0 HA ILE B 15 -9.933 -4.969 5.474 1.00 0.00 H new ATOM 0 HB ILE B 15 -7.672 -3.067 4.864 1.00 0.00 H new ATOM 0 HG12 ILE B 15 -9.717 -3.149 3.376 1.00 0.00 H new ATOM 0 HG13 ILE B 15 -8.159 -3.373 2.607 1.00 0.00 H new ATOM 0 HG21 ILE B 15 -6.481 -5.010 3.892 1.00 0.00 H new ATOM 0 HG22 ILE B 15 -6.702 -5.177 5.650 1.00 0.00 H new ATOM 0 HG23 ILE B 15 -7.742 -6.091 4.531 1.00 0.00 H new ATOM 0 HD11 ILE B 15 -9.820 -4.937 1.693 1.00 0.00 H new ATOM 0 HD12 ILE B 15 -8.530 -5.826 2.537 1.00 0.00 H new ATOM 0 HD13 ILE B 15 -10.113 -5.599 3.318 1.00 0.00 H new ATOM 1671 N PHE B 16 -7.951 -3.706 7.826 1.00 0.00 N ATOM 1672 CA PHE B 16 -7.417 -4.038 9.142 1.00 0.00 C ATOM 1673 C PHE B 16 -8.550 -4.541 10.043 1.00 0.00 C ATOM 1674 O PHE B 16 -8.516 -5.667 10.537 1.00 0.00 O ATOM 1675 CB PHE B 16 -6.704 -2.817 9.747 1.00 0.00 C ATOM 1676 CG PHE B 16 -5.858 -3.101 10.973 1.00 0.00 C ATOM 1677 CD1 PHE B 16 -4.802 -4.029 10.900 1.00 0.00 C ATOM 1678 CD2 PHE B 16 -6.098 -2.412 12.179 1.00 0.00 C ATOM 1679 CE1 PHE B 16 -3.989 -4.265 12.020 1.00 0.00 C ATOM 1680 CE2 PHE B 16 -5.295 -2.665 13.306 1.00 0.00 C ATOM 1681 CZ PHE B 16 -4.247 -3.598 13.229 1.00 0.00 C ATOM 0 H PHE B 16 -7.771 -2.750 7.521 1.00 0.00 H new ATOM 0 HA PHE B 16 -6.679 -4.835 9.051 1.00 0.00 H new ATOM 0 HB2 PHE B 16 -6.067 -2.373 8.982 1.00 0.00 H new ATOM 0 HB3 PHE B 16 -7.455 -2.072 10.009 1.00 0.00 H new ATOM 0 HD1 PHE B 16 -4.617 -4.561 9.979 1.00 0.00 H new ATOM 0 HD2 PHE B 16 -6.899 -1.690 12.238 1.00 0.00 H new ATOM 0 HE1 PHE B 16 -3.165 -4.960 11.952 1.00 0.00 H new ATOM 0 HE2 PHE B 16 -5.484 -2.142 14.232 1.00 0.00 H new ATOM 0 HZ PHE B 16 -3.640 -3.802 14.099 1.00 0.00 H new ATOM 1691 N HIS B 17 -9.577 -3.703 10.210 1.00 0.00 N ATOM 1692 CA HIS B 17 -10.690 -3.904 11.122 1.00 0.00 C ATOM 1693 C HIS B 17 -11.355 -5.267 10.927 1.00 0.00 C ATOM 1694 O HIS B 17 -11.756 -5.912 11.900 1.00 0.00 O ATOM 1695 CB HIS B 17 -11.701 -2.757 10.973 1.00 0.00 C ATOM 1696 CG HIS B 17 -12.755 -2.703 12.055 1.00 0.00 C ATOM 1697 ND1 HIS B 17 -13.369 -3.776 12.666 1.00 0.00 N ATOM 1698 CD2 HIS B 17 -13.266 -1.564 12.620 1.00 0.00 C ATOM 1699 CE1 HIS B 17 -14.224 -3.288 13.581 1.00 0.00 C ATOM 1700 NE2 HIS B 17 -14.195 -1.945 13.590 1.00 0.00 N ATOM 0 H HIS B 17 -9.652 -2.830 9.687 1.00 0.00 H new ATOM 0 HA HIS B 17 -10.300 -3.896 12.140 1.00 0.00 H new ATOM 0 HB2 HIS B 17 -11.159 -1.811 10.964 1.00 0.00 H new ATOM 0 HB3 HIS B 17 -12.196 -2.850 10.006 1.00 0.00 H new ATOM 0 HD1 HIS B 17 -13.204 -4.761 12.461 1.00 0.00 H new ATOM 0 HD2 HIS B 17 -12.998 -0.551 12.361 1.00 0.00 H new ATOM 0 HE1 HIS B 17 -14.849 -3.893 14.221 1.00 0.00 H new ATOM 1708 N LYS B 18 -11.495 -5.673 9.664 1.00 0.00 N ATOM 1709 CA LYS B 18 -12.038 -6.956 9.254 1.00 0.00 C ATOM 1710 C LYS B 18 -11.351 -8.117 9.987 1.00 0.00 C ATOM 1711 O LYS B 18 -12.002 -9.117 10.283 1.00 0.00 O ATOM 1712 CB LYS B 18 -11.902 -7.059 7.728 1.00 0.00 C ATOM 1713 CG LYS B 18 -12.513 -8.335 7.139 1.00 0.00 C ATOM 1714 CD LYS B 18 -12.382 -8.305 5.610 1.00 0.00 C ATOM 1715 CE LYS B 18 -12.735 -9.657 4.978 1.00 0.00 C ATOM 1716 NZ LYS B 18 -14.125 -10.052 5.263 1.00 0.00 N ATOM 0 H LYS B 18 -11.221 -5.090 8.873 1.00 0.00 H new ATOM 0 HA LYS B 18 -13.091 -7.026 9.525 1.00 0.00 H new ATOM 0 HB2 LYS B 18 -12.380 -6.193 7.270 1.00 0.00 H new ATOM 0 HB3 LYS B 18 -10.846 -7.017 7.463 1.00 0.00 H new ATOM 0 HG2 LYS B 18 -12.007 -9.213 7.541 1.00 0.00 H new ATOM 0 HG3 LYS B 18 -13.562 -8.414 7.424 1.00 0.00 H new ATOM 0 HD2 LYS B 18 -13.036 -7.533 5.205 1.00 0.00 H new ATOM 0 HD3 LYS B 18 -11.362 -8.033 5.338 1.00 0.00 H new ATOM 0 HE2 LYS B 18 -12.587 -9.603 3.899 1.00 0.00 H new ATOM 0 HE3 LYS B 18 -12.056 -10.422 5.355 1.00 0.00 H new ATOM 0 HZ1 LYS B 18 -14.333 -10.954 4.790 1.00 0.00 H new ATOM 0 HZ2 LYS B 18 -14.251 -10.162 6.289 1.00 0.00 H new ATOM 0 HZ3 LYS B 18 -14.773 -9.319 4.911 1.00 0.00 H new ATOM 1730 N TYR B 19 -10.050 -7.993 10.272 1.00 0.00 N ATOM 1731 CA TYR B 19 -9.279 -9.007 10.979 1.00 0.00 C ATOM 1732 C TYR B 19 -9.074 -8.611 12.445 1.00 0.00 C ATOM 1733 O TYR B 19 -9.517 -9.339 13.333 1.00 0.00 O ATOM 1734 CB TYR B 19 -7.978 -9.314 10.225 1.00 0.00 C ATOM 1735 CG TYR B 19 -8.221 -10.018 8.897 1.00 0.00 C ATOM 1736 CD1 TYR B 19 -8.611 -9.265 7.776 1.00 0.00 C ATOM 1737 CD2 TYR B 19 -8.218 -11.424 8.816 1.00 0.00 C ATOM 1738 CE1 TYR B 19 -8.967 -9.904 6.576 1.00 0.00 C ATOM 1739 CE2 TYR B 19 -8.625 -12.063 7.631 1.00 0.00 C ATOM 1740 CZ TYR B 19 -8.977 -11.305 6.503 1.00 0.00 C ATOM 1741 OH TYR B 19 -9.365 -11.937 5.360 1.00 0.00 O ATOM 0 H TYR B 19 -9.501 -7.173 10.012 1.00 0.00 H new ATOM 0 HA TYR B 19 -9.839 -9.942 11.004 1.00 0.00 H new ATOM 0 HB2 TYR B 19 -7.439 -8.384 10.045 1.00 0.00 H new ATOM 0 HB3 TYR B 19 -7.339 -9.937 10.850 1.00 0.00 H new ATOM 0 HD1 TYR B 19 -8.637 -8.187 7.837 1.00 0.00 H new ATOM 0 HD2 TYR B 19 -7.903 -12.012 9.665 1.00 0.00 H new ATOM 0 HE1 TYR B 19 -9.233 -9.316 5.710 1.00 0.00 H new ATOM 0 HE2 TYR B 19 -8.667 -13.141 7.589 1.00 0.00 H new ATOM 0 HH TYR B 19 -9.407 -11.289 4.626 1.00 0.00 H new ATOM 1751 N SER B 20 -8.415 -7.481 12.715 1.00 0.00 N ATOM 1752 CA SER B 20 -8.060 -7.063 14.068 1.00 0.00 C ATOM 1753 C SER B 20 -9.249 -6.420 14.762 1.00 0.00 C ATOM 1754 O SER B 20 -9.697 -6.881 15.804 1.00 0.00 O ATOM 1755 CB SER B 20 -6.935 -6.030 13.990 1.00 0.00 C ATOM 1756 OG SER B 20 -7.236 -5.136 12.939 1.00 0.00 O ATOM 0 H SER B 20 -8.112 -6.827 11.993 1.00 0.00 H new ATOM 0 HA SER B 20 -7.746 -7.942 14.632 1.00 0.00 H new ATOM 0 HB2 SER B 20 -6.845 -5.492 14.934 1.00 0.00 H new ATOM 0 HB3 SER B 20 -5.978 -6.521 13.811 1.00 0.00 H new ATOM 0 HG SER B 20 -6.597 -4.393 12.949 1.00 0.00 H new ATOM 1847 N HIS B 27 -6.357 -2.650 17.973 1.00 0.00 N ATOM 1848 CA HIS B 27 -5.179 -1.999 17.425 1.00 0.00 C ATOM 1849 C HIS B 27 -4.145 -2.992 16.885 1.00 0.00 C ATOM 1850 O HIS B 27 -3.185 -2.562 16.238 1.00 0.00 O ATOM 1851 CB HIS B 27 -4.531 -1.141 18.524 1.00 0.00 C ATOM 1852 CG HIS B 27 -3.507 -0.161 18.006 1.00 0.00 C ATOM 1853 ND1 HIS B 27 -2.213 -0.027 18.453 1.00 0.00 N ATOM 1854 CD2 HIS B 27 -3.686 0.730 16.983 1.00 0.00 C ATOM 1855 CE1 HIS B 27 -1.628 0.928 17.709 1.00 0.00 C ATOM 1856 NE2 HIS B 27 -2.480 1.409 16.792 1.00 0.00 N ATOM 0 HA HIS B 27 -5.504 -1.387 16.584 1.00 0.00 H new ATOM 0 HB2 HIS B 27 -5.311 -0.592 19.051 1.00 0.00 H new ATOM 0 HB3 HIS B 27 -4.056 -1.798 19.252 1.00 0.00 H new ATOM 0 HD1 HIS B 27 -1.778 -0.555 19.209 1.00 0.00 H new ATOM 0 HD2 HIS B 27 -4.597 0.881 16.423 1.00 0.00 H new ATOM 0 HE1 HIS B 27 -0.609 1.263 17.833 1.00 0.00 H new ATOM 1864 N THR B 28 -4.309 -4.290 17.162 1.00 0.00 N ATOM 1865 CA THR B 28 -3.289 -5.306 16.931 1.00 0.00 C ATOM 1866 C THR B 28 -3.854 -6.587 16.308 1.00 0.00 C ATOM 1867 O THR B 28 -5.059 -6.822 16.344 1.00 0.00 O ATOM 1868 CB THR B 28 -2.623 -5.625 18.283 1.00 0.00 C ATOM 1869 OG1 THR B 28 -3.601 -5.694 19.299 1.00 0.00 O ATOM 1870 CG2 THR B 28 -1.603 -4.566 18.711 1.00 0.00 C ATOM 0 H THR B 28 -5.170 -4.665 17.559 1.00 0.00 H new ATOM 0 HA THR B 28 -2.567 -4.913 16.216 1.00 0.00 H new ATOM 0 HB THR B 28 -2.109 -6.577 18.147 1.00 0.00 H new ATOM 0 HG1 THR B 28 -3.170 -5.899 20.155 1.00 0.00 H new ATOM 0 HG21 THR B 28 -1.168 -4.846 19.670 1.00 0.00 H new ATOM 0 HG22 THR B 28 -0.815 -4.496 17.962 1.00 0.00 H new ATOM 0 HG23 THR B 28 -2.099 -3.600 18.806 1.00 0.00 H new ATOM 1878 N LEU B 29 -2.972 -7.415 15.734 1.00 0.00 N ATOM 1879 CA LEU B 29 -3.268 -8.783 15.311 1.00 0.00 C ATOM 1880 C LEU B 29 -1.955 -9.555 15.142 1.00 0.00 C ATOM 1881 O LEU B 29 -0.884 -8.966 15.277 1.00 0.00 O ATOM 1882 CB LEU B 29 -4.185 -8.840 14.077 1.00 0.00 C ATOM 1883 CG LEU B 29 -3.795 -7.926 12.903 1.00 0.00 C ATOM 1884 CD1 LEU B 29 -2.415 -8.232 12.319 1.00 0.00 C ATOM 1885 CD2 LEU B 29 -4.828 -8.071 11.781 1.00 0.00 C ATOM 0 H LEU B 29 -2.007 -7.141 15.547 1.00 0.00 H new ATOM 0 HA LEU B 29 -3.848 -9.277 16.091 1.00 0.00 H new ATOM 0 HB2 LEU B 29 -4.213 -9.868 13.717 1.00 0.00 H new ATOM 0 HB3 LEU B 29 -5.197 -8.584 14.390 1.00 0.00 H new ATOM 0 HG LEU B 29 -3.766 -6.913 13.303 1.00 0.00 H new ATOM 0 HD11 LEU B 29 -2.209 -7.548 11.496 1.00 0.00 H new ATOM 0 HD12 LEU B 29 -1.657 -8.108 13.092 1.00 0.00 H new ATOM 0 HD13 LEU B 29 -2.395 -9.258 11.952 1.00 0.00 H new ATOM 0 HD21 LEU B 29 -4.554 -7.424 10.948 1.00 0.00 H new ATOM 0 HD22 LEU B 29 -4.855 -9.107 11.443 1.00 0.00 H new ATOM 0 HD23 LEU B 29 -5.812 -7.786 12.153 1.00 0.00 H new ATOM 1897 N SER B 30 -2.029 -10.860 14.872 1.00 0.00 N ATOM 1898 CA SER B 30 -0.884 -11.767 14.898 1.00 0.00 C ATOM 1899 C SER B 30 -0.559 -12.355 13.519 1.00 0.00 C ATOM 1900 O SER B 30 -1.325 -12.222 12.565 1.00 0.00 O ATOM 1901 CB SER B 30 -1.135 -12.894 15.916 1.00 0.00 C ATOM 1902 OG SER B 30 -2.078 -12.515 16.901 1.00 0.00 O ATOM 0 H SER B 30 -2.904 -11.323 14.625 1.00 0.00 H new ATOM 0 HA SER B 30 -0.015 -11.182 15.200 1.00 0.00 H new ATOM 0 HB2 SER B 30 -1.492 -13.782 15.394 1.00 0.00 H new ATOM 0 HB3 SER B 30 -0.195 -13.164 16.398 1.00 0.00 H new ATOM 0 HG SER B 30 -2.975 -12.502 16.507 1.00 0.00 H new ATOM 1908 N LYS B 31 0.577 -13.054 13.451 1.00 0.00 N ATOM 1909 CA LYS B 31 1.132 -13.735 12.288 1.00 0.00 C ATOM 1910 C LYS B 31 0.086 -14.371 11.368 1.00 0.00 C ATOM 1911 O LYS B 31 0.013 -14.044 10.183 1.00 0.00 O ATOM 1912 CB LYS B 31 2.207 -14.736 12.755 1.00 0.00 C ATOM 1913 CG LYS B 31 1.750 -15.763 13.806 1.00 0.00 C ATOM 1914 CD LYS B 31 2.922 -16.266 14.663 1.00 0.00 C ATOM 1915 CE LYS B 31 4.048 -16.887 13.829 1.00 0.00 C ATOM 1916 NZ LYS B 31 5.094 -17.462 14.695 1.00 0.00 N ATOM 0 H LYS B 31 1.174 -13.164 14.271 1.00 0.00 H new ATOM 0 HA LYS B 31 1.596 -12.979 11.655 1.00 0.00 H new ATOM 0 HB2 LYS B 31 2.578 -15.276 11.884 1.00 0.00 H new ATOM 0 HB3 LYS B 31 3.047 -14.175 13.164 1.00 0.00 H new ATOM 0 HG2 LYS B 31 0.996 -15.311 14.451 1.00 0.00 H new ATOM 0 HG3 LYS B 31 1.277 -16.608 13.306 1.00 0.00 H new ATOM 0 HD2 LYS B 31 3.323 -15.436 15.244 1.00 0.00 H new ATOM 0 HD3 LYS B 31 2.554 -17.005 15.375 1.00 0.00 H new ATOM 0 HE2 LYS B 31 3.640 -17.663 13.182 1.00 0.00 H new ATOM 0 HE3 LYS B 31 4.485 -16.128 13.180 1.00 0.00 H new ATOM 0 HZ1 LYS B 31 5.844 -17.876 14.105 1.00 0.00 H new ATOM 0 HZ2 LYS B 31 5.498 -16.714 15.295 1.00 0.00 H new ATOM 0 HZ3 LYS B 31 4.679 -18.202 15.296 1.00 0.00 H new ATOM 1930 N LYS B 32 -0.734 -15.276 11.908 1.00 0.00 N ATOM 1931 CA LYS B 32 -1.746 -15.984 11.136 1.00 0.00 C ATOM 1932 C LYS B 32 -2.706 -14.984 10.483 1.00 0.00 C ATOM 1933 O LYS B 32 -3.014 -15.091 9.296 1.00 0.00 O ATOM 1934 CB LYS B 32 -2.465 -16.983 12.057 1.00 0.00 C ATOM 1935 CG LYS B 32 -3.420 -17.939 11.328 1.00 0.00 C ATOM 1936 CD LYS B 32 -2.685 -18.927 10.406 1.00 0.00 C ATOM 1937 CE LYS B 32 -2.945 -18.651 8.920 1.00 0.00 C ATOM 1938 NZ LYS B 32 -4.344 -18.935 8.549 1.00 0.00 N ATOM 0 H LYS B 32 -0.711 -15.535 12.894 1.00 0.00 H new ATOM 0 HA LYS B 32 -1.285 -16.548 10.325 1.00 0.00 H new ATOM 0 HB2 LYS B 32 -1.718 -17.571 12.590 1.00 0.00 H new ATOM 0 HB3 LYS B 32 -3.028 -16.428 12.807 1.00 0.00 H new ATOM 0 HG2 LYS B 32 -3.999 -18.497 12.063 1.00 0.00 H new ATOM 0 HG3 LYS B 32 -4.129 -17.358 10.739 1.00 0.00 H new ATOM 0 HD2 LYS B 32 -1.614 -18.871 10.600 1.00 0.00 H new ATOM 0 HD3 LYS B 32 -3.000 -19.943 10.644 1.00 0.00 H new ATOM 0 HE2 LYS B 32 -2.714 -17.609 8.697 1.00 0.00 H new ATOM 0 HE3 LYS B 32 -2.276 -19.262 8.314 1.00 0.00 H new ATOM 0 HZ1 LYS B 32 -4.435 -18.935 7.513 1.00 0.00 H new ATOM 0 HZ2 LYS B 32 -4.620 -19.866 8.921 1.00 0.00 H new ATOM 0 HZ3 LYS B 32 -4.965 -18.204 8.951 1.00 0.00 H new ATOM 1952 N GLU B 33 -3.157 -13.991 11.251 1.00 0.00 N ATOM 1953 CA GLU B 33 -4.028 -12.938 10.762 1.00 0.00 C ATOM 1954 C GLU B 33 -3.332 -12.112 9.678 1.00 0.00 C ATOM 1955 O GLU B 33 -3.976 -11.745 8.700 1.00 0.00 O ATOM 1956 CB GLU B 33 -4.527 -12.045 11.903 1.00 0.00 C ATOM 1957 CG GLU B 33 -5.224 -12.817 13.035 1.00 0.00 C ATOM 1958 CD GLU B 33 -4.260 -13.213 14.150 1.00 0.00 C ATOM 1959 OE1 GLU B 33 -3.516 -14.195 13.950 1.00 0.00 O ATOM 1960 OE2 GLU B 33 -4.242 -12.491 15.171 1.00 0.00 O ATOM 0 H GLU B 33 -2.921 -13.900 12.239 1.00 0.00 H new ATOM 0 HA GLU B 33 -4.901 -13.413 10.315 1.00 0.00 H new ATOM 0 HB2 GLU B 33 -3.682 -11.495 12.317 1.00 0.00 H new ATOM 0 HB3 GLU B 33 -5.220 -11.307 11.498 1.00 0.00 H new ATOM 0 HG2 GLU B 33 -6.023 -12.204 13.451 1.00 0.00 H new ATOM 0 HG3 GLU B 33 -5.690 -13.714 12.626 1.00 0.00 H new ATOM 1967 N LEU B 34 -2.034 -11.816 9.818 1.00 0.00 N ATOM 1968 CA LEU B 34 -1.285 -11.159 8.744 1.00 0.00 C ATOM 1969 C LEU B 34 -1.249 -12.010 7.471 1.00 0.00 C ATOM 1970 O LEU B 34 -1.540 -11.507 6.382 1.00 0.00 O ATOM 1971 CB LEU B 34 0.135 -10.754 9.172 1.00 0.00 C ATOM 1972 CG LEU B 34 0.311 -9.260 9.504 1.00 0.00 C ATOM 1973 CD1 LEU B 34 1.781 -9.020 9.872 1.00 0.00 C ATOM 1974 CD2 LEU B 34 -0.023 -8.347 8.314 1.00 0.00 C ATOM 0 H LEU B 34 -1.487 -12.019 10.655 1.00 0.00 H new ATOM 0 HA LEU B 34 -1.826 -10.240 8.520 1.00 0.00 H new ATOM 0 HB2 LEU B 34 0.417 -11.341 10.046 1.00 0.00 H new ATOM 0 HB3 LEU B 34 0.829 -11.018 8.374 1.00 0.00 H new ATOM 0 HG LEU B 34 -0.371 -9.021 10.320 1.00 0.00 H new ATOM 0 HD11 LEU B 34 1.929 -7.967 10.111 1.00 0.00 H new ATOM 0 HD12 LEU B 34 2.044 -9.629 10.737 1.00 0.00 H new ATOM 0 HD13 LEU B 34 2.416 -9.293 9.030 1.00 0.00 H new ATOM 0 HD21 LEU B 34 0.118 -7.306 8.604 1.00 0.00 H new ATOM 0 HD22 LEU B 34 0.635 -8.584 7.478 1.00 0.00 H new ATOM 0 HD23 LEU B 34 -1.060 -8.503 8.015 1.00 0.00 H new ATOM 1986 N LYS B 35 -0.888 -13.292 7.588 1.00 0.00 N ATOM 1987 CA LYS B 35 -0.887 -14.197 6.443 1.00 0.00 C ATOM 1988 C LYS B 35 -2.267 -14.216 5.781 1.00 0.00 C ATOM 1989 O LYS B 35 -2.376 -14.089 4.560 1.00 0.00 O ATOM 1990 CB LYS B 35 -0.438 -15.605 6.848 1.00 0.00 C ATOM 1991 CG LYS B 35 1.074 -15.651 7.107 1.00 0.00 C ATOM 1992 CD LYS B 35 1.535 -17.101 7.293 1.00 0.00 C ATOM 1993 CE LYS B 35 3.065 -17.167 7.299 1.00 0.00 C ATOM 1994 NZ LYS B 35 3.539 -18.559 7.365 1.00 0.00 N ATOM 0 H LYS B 35 -0.594 -13.722 8.465 1.00 0.00 H new ATOM 0 HA LYS B 35 -0.166 -13.829 5.713 1.00 0.00 H new ATOM 0 HB2 LYS B 35 -0.973 -15.916 7.745 1.00 0.00 H new ATOM 0 HB3 LYS B 35 -0.697 -16.313 6.061 1.00 0.00 H new ATOM 0 HG2 LYS B 35 1.607 -15.196 6.272 1.00 0.00 H new ATOM 0 HG3 LYS B 35 1.316 -15.068 7.995 1.00 0.00 H new ATOM 0 HD2 LYS B 35 1.142 -17.499 8.228 1.00 0.00 H new ATOM 0 HD3 LYS B 35 1.139 -17.723 6.490 1.00 0.00 H new ATOM 0 HE2 LYS B 35 3.455 -16.690 6.400 1.00 0.00 H new ATOM 0 HE3 LYS B 35 3.452 -16.608 8.151 1.00 0.00 H new ATOM 0 HZ1 LYS B 35 4.579 -18.572 7.368 1.00 0.00 H new ATOM 0 HZ2 LYS B 35 3.185 -19.005 8.235 1.00 0.00 H new ATOM 0 HZ3 LYS B 35 3.188 -19.085 6.539 1.00 0.00 H new ATOM 2008 N GLU B 36 -3.322 -14.344 6.590 1.00 0.00 N ATOM 2009 CA GLU B 36 -4.689 -14.235 6.112 1.00 0.00 C ATOM 2010 C GLU B 36 -4.904 -12.919 5.374 1.00 0.00 C ATOM 2011 O GLU B 36 -5.346 -12.947 4.233 1.00 0.00 O ATOM 2012 CB GLU B 36 -5.683 -14.383 7.267 1.00 0.00 C ATOM 2013 CG GLU B 36 -5.886 -15.858 7.619 1.00 0.00 C ATOM 2014 CD GLU B 36 -6.620 -16.041 8.944 1.00 0.00 C ATOM 2015 OE1 GLU B 36 -7.359 -15.109 9.331 1.00 0.00 O ATOM 2016 OE2 GLU B 36 -6.427 -17.119 9.547 1.00 0.00 O ATOM 0 H GLU B 36 -3.246 -14.526 7.591 1.00 0.00 H new ATOM 0 HA GLU B 36 -4.866 -15.048 5.408 1.00 0.00 H new ATOM 0 HB2 GLU B 36 -5.317 -13.843 8.140 1.00 0.00 H new ATOM 0 HB3 GLU B 36 -6.638 -13.935 6.992 1.00 0.00 H new ATOM 0 HG2 GLU B 36 -6.450 -16.345 6.823 1.00 0.00 H new ATOM 0 HG3 GLU B 36 -4.917 -16.354 7.672 1.00 0.00 H new ATOM 2023 N LEU B 37 -4.609 -11.780 6.002 1.00 0.00 N ATOM 2024 CA LEU B 37 -4.757 -10.468 5.389 1.00 0.00 C ATOM 2025 C LEU B 37 -4.168 -10.468 3.984 1.00 0.00 C ATOM 2026 O LEU B 37 -4.895 -10.237 3.020 1.00 0.00 O ATOM 2027 CB LEU B 37 -4.089 -9.381 6.244 1.00 0.00 C ATOM 2028 CG LEU B 37 -5.047 -8.736 7.249 1.00 0.00 C ATOM 2029 CD1 LEU B 37 -4.238 -7.987 8.308 1.00 0.00 C ATOM 2030 CD2 LEU B 37 -5.954 -7.728 6.537 1.00 0.00 C ATOM 0 H LEU B 37 -4.258 -11.747 6.959 1.00 0.00 H new ATOM 0 HA LEU B 37 -5.822 -10.245 5.325 1.00 0.00 H new ATOM 0 HB2 LEU B 37 -3.247 -9.816 6.782 1.00 0.00 H new ATOM 0 HB3 LEU B 37 -3.685 -8.609 5.589 1.00 0.00 H new ATOM 0 HG LEU B 37 -5.652 -9.517 7.710 1.00 0.00 H new ATOM 0 HD11 LEU B 37 -4.917 -7.526 9.026 1.00 0.00 H new ATOM 0 HD12 LEU B 37 -3.582 -8.686 8.826 1.00 0.00 H new ATOM 0 HD13 LEU B 37 -3.638 -7.214 7.828 1.00 0.00 H new ATOM 0 HD21 LEU B 37 -6.632 -7.274 7.260 1.00 0.00 H new ATOM 0 HD22 LEU B 37 -5.344 -6.952 6.075 1.00 0.00 H new ATOM 0 HD23 LEU B 37 -6.533 -8.239 5.768 1.00 0.00 H new ATOM 2042 N ILE B 38 -2.862 -10.729 3.857 1.00 0.00 N ATOM 2043 CA ILE B 38 -2.235 -10.675 2.544 1.00 0.00 C ATOM 2044 C ILE B 38 -2.905 -11.680 1.596 1.00 0.00 C ATOM 2045 O ILE B 38 -3.402 -11.285 0.548 1.00 0.00 O ATOM 2046 CB ILE B 38 -0.695 -10.751 2.636 1.00 0.00 C ATOM 2047 CG1 ILE B 38 -0.036 -10.448 1.280 1.00 0.00 C ATOM 2048 CG2 ILE B 38 -0.178 -12.083 3.189 1.00 0.00 C ATOM 2049 CD1 ILE B 38 1.452 -10.105 1.413 1.00 0.00 C ATOM 0 H ILE B 38 -2.239 -10.972 4.627 1.00 0.00 H new ATOM 0 HA ILE B 38 -2.406 -9.699 2.091 1.00 0.00 H new ATOM 0 HB ILE B 38 -0.410 -9.981 3.353 1.00 0.00 H new ATOM 0 HG12 ILE B 38 -0.149 -11.311 0.624 1.00 0.00 H new ATOM 0 HG13 ILE B 38 -0.556 -9.616 0.805 1.00 0.00 H new ATOM 0 HG21 ILE B 38 0.911 -12.064 3.225 1.00 0.00 H new ATOM 0 HG22 ILE B 38 -0.572 -12.237 4.194 1.00 0.00 H new ATOM 0 HG23 ILE B 38 -0.505 -12.897 2.542 1.00 0.00 H new ATOM 0 HD11 ILE B 38 1.868 -9.900 0.426 1.00 0.00 H new ATOM 0 HD12 ILE B 38 1.567 -9.225 2.046 1.00 0.00 H new ATOM 0 HD13 ILE B 38 1.981 -10.946 1.862 1.00 0.00 H new ATOM 2061 N GLN B 39 -2.982 -12.959 1.971 1.00 0.00 N ATOM 2062 CA GLN B 39 -3.473 -14.002 1.076 1.00 0.00 C ATOM 2063 C GLN B 39 -4.925 -13.763 0.627 1.00 0.00 C ATOM 2064 O GLN B 39 -5.243 -13.938 -0.548 1.00 0.00 O ATOM 2065 CB GLN B 39 -3.279 -15.365 1.754 1.00 0.00 C ATOM 2066 CG GLN B 39 -3.756 -16.535 0.883 1.00 0.00 C ATOM 2067 CD GLN B 39 -3.640 -17.860 1.625 1.00 0.00 C ATOM 2068 OE1 GLN B 39 -4.643 -18.461 1.995 1.00 0.00 O ATOM 2069 NE2 GLN B 39 -2.416 -18.325 1.859 1.00 0.00 N ATOM 0 H GLN B 39 -2.708 -13.295 2.894 1.00 0.00 H new ATOM 0 HA GLN B 39 -2.892 -13.980 0.154 1.00 0.00 H new ATOM 0 HB2 GLN B 39 -2.224 -15.501 1.991 1.00 0.00 H new ATOM 0 HB3 GLN B 39 -3.822 -15.376 2.699 1.00 0.00 H new ATOM 0 HG2 GLN B 39 -4.792 -16.371 0.586 1.00 0.00 H new ATOM 0 HG3 GLN B 39 -3.165 -16.575 -0.032 1.00 0.00 H new ATOM 0 HE21 GLN B 39 -1.602 -17.801 1.538 1.00 0.00 H new ATOM 0 HE22 GLN B 39 -2.292 -19.205 2.359 1.00 0.00 H new ATOM 2078 N LYS B 40 -5.821 -13.422 1.556 1.00 0.00 N ATOM 2079 CA LYS B 40 -7.233 -13.222 1.264 1.00 0.00 C ATOM 2080 C LYS B 40 -7.424 -11.888 0.539 1.00 0.00 C ATOM 2081 O LYS B 40 -8.084 -11.833 -0.495 1.00 0.00 O ATOM 2082 CB LYS B 40 -8.100 -13.219 2.543 1.00 0.00 C ATOM 2083 CG LYS B 40 -8.614 -14.570 3.081 1.00 0.00 C ATOM 2084 CD LYS B 40 -7.715 -15.309 4.082 1.00 0.00 C ATOM 2085 CE LYS B 40 -6.639 -16.185 3.432 1.00 0.00 C ATOM 2086 NZ LYS B 40 -7.203 -17.263 2.602 1.00 0.00 N ATOM 0 H LYS B 40 -5.581 -13.277 2.537 1.00 0.00 H new ATOM 0 HA LYS B 40 -7.554 -14.054 0.637 1.00 0.00 H new ATOM 0 HB2 LYS B 40 -7.522 -12.744 3.335 1.00 0.00 H new ATOM 0 HB3 LYS B 40 -8.966 -12.584 2.356 1.00 0.00 H new ATOM 0 HG2 LYS B 40 -9.581 -14.400 3.555 1.00 0.00 H new ATOM 0 HG3 LYS B 40 -8.788 -15.229 2.231 1.00 0.00 H new ATOM 0 HD2 LYS B 40 -7.230 -14.577 4.727 1.00 0.00 H new ATOM 0 HD3 LYS B 40 -8.339 -15.934 4.721 1.00 0.00 H new ATOM 0 HE2 LYS B 40 -5.992 -15.560 2.817 1.00 0.00 H new ATOM 0 HE3 LYS B 40 -6.014 -16.622 4.211 1.00 0.00 H new ATOM 0 HZ1 LYS B 40 -6.449 -17.931 2.341 1.00 0.00 H new ATOM 0 HZ2 LYS B 40 -7.940 -17.765 3.138 1.00 0.00 H new ATOM 0 HZ3 LYS B 40 -7.619 -16.856 1.740 1.00 0.00 H new ATOM 2100 N GLU B 41 -6.902 -10.798 1.112 1.00 0.00 N ATOM 2101 CA GLU B 41 -7.236 -9.457 0.657 1.00 0.00 C ATOM 2102 C GLU B 41 -6.427 -9.020 -0.564 1.00 0.00 C ATOM 2103 O GLU B 41 -6.913 -8.187 -1.328 1.00 0.00 O ATOM 2104 CB GLU B 41 -7.143 -8.462 1.816 1.00 0.00 C ATOM 2105 CG GLU B 41 -7.927 -8.916 3.059 1.00 0.00 C ATOM 2106 CD GLU B 41 -9.404 -9.182 2.792 1.00 0.00 C ATOM 2107 OE1 GLU B 41 -10.030 -8.334 2.121 1.00 0.00 O ATOM 2108 OE2 GLU B 41 -9.887 -10.223 3.292 1.00 0.00 O ATOM 0 H GLU B 41 -6.246 -10.825 1.893 1.00 0.00 H new ATOM 0 HA GLU B 41 -8.271 -9.475 0.315 1.00 0.00 H new ATOM 0 HB2 GLU B 41 -6.096 -8.321 2.084 1.00 0.00 H new ATOM 0 HB3 GLU B 41 -7.521 -7.494 1.488 1.00 0.00 H new ATOM 0 HG2 GLU B 41 -7.470 -9.823 3.454 1.00 0.00 H new ATOM 0 HG3 GLU B 41 -7.839 -8.152 3.832 1.00 0.00 H new ATOM 2115 N LEU B 42 -5.213 -9.546 -0.751 1.00 0.00 N ATOM 2116 CA LEU B 42 -4.464 -9.416 -1.995 1.00 0.00 C ATOM 2117 C LEU B 42 -4.569 -10.779 -2.666 1.00 0.00 C ATOM 2118 O LEU B 42 -3.800 -11.686 -2.356 1.00 0.00 O ATOM 2119 CB LEU B 42 -3.011 -8.983 -1.742 1.00 0.00 C ATOM 2120 CG LEU B 42 -2.897 -7.492 -1.386 1.00 0.00 C ATOM 2121 CD1 LEU B 42 -1.531 -7.203 -0.759 1.00 0.00 C ATOM 2122 CD2 LEU B 42 -3.072 -6.606 -2.625 1.00 0.00 C ATOM 0 H LEU B 42 -4.722 -10.079 -0.033 1.00 0.00 H new ATOM 0 HA LEU B 42 -4.868 -8.634 -2.638 1.00 0.00 H new ATOM 0 HB2 LEU B 42 -2.593 -9.580 -0.932 1.00 0.00 H new ATOM 0 HB3 LEU B 42 -2.414 -9.188 -2.630 1.00 0.00 H new ATOM 0 HG LEU B 42 -3.691 -7.263 -0.675 1.00 0.00 H new ATOM 0 HD11 LEU B 42 -1.461 -6.144 -0.511 1.00 0.00 H new ATOM 0 HD12 LEU B 42 -1.414 -7.797 0.148 1.00 0.00 H new ATOM 0 HD13 LEU B 42 -0.744 -7.462 -1.467 1.00 0.00 H new ATOM 0 HD21 LEU B 42 -2.986 -5.558 -2.338 1.00 0.00 H new ATOM 0 HD22 LEU B 42 -2.300 -6.847 -3.356 1.00 0.00 H new ATOM 0 HD23 LEU B 42 -4.054 -6.783 -3.063 1.00 0.00 H new ATOM 2243 N ASP B 50 8.948 -11.259 -5.539 1.00 0.00 N ATOM 2244 CA ASP B 50 9.578 -11.463 -4.237 1.00 0.00 C ATOM 2245 C ASP B 50 8.814 -10.891 -3.043 1.00 0.00 C ATOM 2246 O ASP B 50 8.605 -11.605 -2.066 1.00 0.00 O ATOM 2247 CB ASP B 50 10.986 -10.865 -4.291 1.00 0.00 C ATOM 2248 CG ASP B 50 11.719 -10.989 -2.964 1.00 0.00 C ATOM 2249 OD1 ASP B 50 12.334 -12.057 -2.756 1.00 0.00 O ATOM 2250 OD2 ASP B 50 11.651 -10.011 -2.189 1.00 0.00 O ATOM 0 HA ASP B 50 9.591 -12.539 -4.064 1.00 0.00 H new ATOM 0 HB2 ASP B 50 11.561 -11.366 -5.069 1.00 0.00 H new ATOM 0 HB3 ASP B 50 10.921 -9.813 -4.570 1.00 0.00 H new ATOM 2255 N ALA B 51 8.429 -9.617 -3.115 1.00 0.00 N ATOM 2256 CA ALA B 51 7.693 -8.889 -2.093 1.00 0.00 C ATOM 2257 C ALA B 51 6.772 -9.780 -1.259 1.00 0.00 C ATOM 2258 O ALA B 51 6.932 -9.881 -0.045 1.00 0.00 O ATOM 2259 CB ALA B 51 6.872 -7.800 -2.779 1.00 0.00 C ATOM 0 H ALA B 51 8.635 -9.040 -3.930 1.00 0.00 H new ATOM 0 HA ALA B 51 8.419 -8.466 -1.399 1.00 0.00 H new ATOM 0 HB1 ALA B 51 6.311 -7.241 -2.030 1.00 0.00 H new ATOM 0 HB2 ALA B 51 7.539 -7.123 -3.313 1.00 0.00 H new ATOM 0 HB3 ALA B 51 6.179 -8.257 -3.485 1.00 0.00 H new ATOM 2265 N GLU B 52 5.804 -10.424 -1.913 1.00 0.00 N ATOM 2266 CA GLU B 52 4.788 -11.207 -1.223 1.00 0.00 C ATOM 2267 C GLU B 52 5.409 -12.428 -0.538 1.00 0.00 C ATOM 2268 O GLU B 52 5.033 -12.783 0.580 1.00 0.00 O ATOM 2269 CB GLU B 52 3.688 -11.589 -2.219 1.00 0.00 C ATOM 2270 CG GLU B 52 2.546 -12.362 -1.541 1.00 0.00 C ATOM 2271 CD GLU B 52 1.332 -12.536 -2.448 1.00 0.00 C ATOM 2272 OE1 GLU B 52 1.440 -12.155 -3.633 1.00 0.00 O ATOM 2273 OE2 GLU B 52 0.318 -13.058 -1.934 1.00 0.00 O ATOM 0 H GLU B 52 5.706 -10.416 -2.928 1.00 0.00 H new ATOM 0 HA GLU B 52 4.337 -10.611 -0.430 1.00 0.00 H new ATOM 0 HB2 GLU B 52 3.290 -10.687 -2.684 1.00 0.00 H new ATOM 0 HB3 GLU B 52 4.115 -12.197 -3.016 1.00 0.00 H new ATOM 0 HG2 GLU B 52 2.909 -13.343 -1.235 1.00 0.00 H new ATOM 0 HG3 GLU B 52 2.245 -11.836 -0.635 1.00 0.00 H new ATOM 2280 N ILE B 53 6.365 -13.067 -1.214 1.00 0.00 N ATOM 2281 CA ILE B 53 7.032 -14.266 -0.738 1.00 0.00 C ATOM 2282 C ILE B 53 7.724 -13.876 0.568 1.00 0.00 C ATOM 2283 O ILE B 53 7.458 -14.429 1.636 1.00 0.00 O ATOM 2284 CB ILE B 53 8.063 -14.779 -1.776 1.00 0.00 C ATOM 2285 CG1 ILE B 53 7.521 -15.153 -3.169 1.00 0.00 C ATOM 2286 CG2 ILE B 53 8.788 -16.016 -1.224 1.00 0.00 C ATOM 2287 CD1 ILE B 53 6.707 -14.078 -3.895 1.00 0.00 C ATOM 0 H ILE B 53 6.699 -12.754 -2.125 1.00 0.00 H new ATOM 0 HA ILE B 53 6.320 -15.077 -0.583 1.00 0.00 H new ATOM 0 HB ILE B 53 8.716 -13.919 -1.926 1.00 0.00 H new ATOM 0 HG12 ILE B 53 8.365 -15.427 -3.802 1.00 0.00 H new ATOM 0 HG13 ILE B 53 6.898 -16.041 -3.066 1.00 0.00 H new ATOM 0 HG21 ILE B 53 9.511 -16.372 -1.958 1.00 0.00 H new ATOM 0 HG22 ILE B 53 9.306 -15.753 -0.302 1.00 0.00 H new ATOM 0 HG23 ILE B 53 8.062 -16.803 -1.020 1.00 0.00 H new ATOM 0 HD11 ILE B 53 6.382 -14.460 -4.863 1.00 0.00 H new ATOM 0 HD12 ILE B 53 5.835 -13.816 -3.296 1.00 0.00 H new ATOM 0 HD13 ILE B 53 7.325 -13.192 -4.043 1.00 0.00 H new ATOM 2299 N VAL B 54 8.593 -12.868 0.467 1.00 0.00 N ATOM 2300 CA VAL B 54 9.349 -12.359 1.591 1.00 0.00 C ATOM 2301 C VAL B 54 8.407 -11.900 2.692 1.00 0.00 C ATOM 2302 O VAL B 54 8.696 -12.161 3.848 1.00 0.00 O ATOM 2303 CB VAL B 54 10.339 -11.279 1.128 1.00 0.00 C ATOM 2304 CG1 VAL B 54 10.968 -10.520 2.304 1.00 0.00 C ATOM 2305 CG2 VAL B 54 11.455 -11.978 0.344 1.00 0.00 C ATOM 0 H VAL B 54 8.787 -12.384 -0.410 1.00 0.00 H new ATOM 0 HA VAL B 54 9.956 -13.155 2.022 1.00 0.00 H new ATOM 0 HB VAL B 54 9.799 -10.553 0.520 1.00 0.00 H new ATOM 0 HG11 VAL B 54 11.660 -9.768 1.924 1.00 0.00 H new ATOM 0 HG12 VAL B 54 10.184 -10.032 2.883 1.00 0.00 H new ATOM 0 HG13 VAL B 54 11.508 -11.220 2.942 1.00 0.00 H new ATOM 0 HG21 VAL B 54 12.177 -11.237 -0.000 1.00 0.00 H new ATOM 0 HG22 VAL B 54 11.955 -12.700 0.989 1.00 0.00 H new ATOM 0 HG23 VAL B 54 11.027 -12.494 -0.515 1.00 0.00 H new ATOM 2315 N LYS B 55 7.279 -11.263 2.376 1.00 0.00 N ATOM 2316 CA LYS B 55 6.298 -10.909 3.395 1.00 0.00 C ATOM 2317 C LYS B 55 5.845 -12.139 4.177 1.00 0.00 C ATOM 2318 O LYS B 55 5.884 -12.136 5.407 1.00 0.00 O ATOM 2319 CB LYS B 55 5.106 -10.165 2.780 1.00 0.00 C ATOM 2320 CG LYS B 55 5.201 -8.677 3.115 1.00 0.00 C ATOM 2321 CD LYS B 55 6.434 -8.033 2.462 1.00 0.00 C ATOM 2322 CE LYS B 55 6.840 -6.757 3.194 1.00 0.00 C ATOM 2323 NZ LYS B 55 7.388 -7.031 4.535 1.00 0.00 N ATOM 0 H LYS B 55 7.025 -10.984 1.428 1.00 0.00 H new ATOM 0 HA LYS B 55 6.780 -10.232 4.101 1.00 0.00 H new ATOM 0 HB2 LYS B 55 5.096 -10.305 1.699 1.00 0.00 H new ATOM 0 HB3 LYS B 55 4.172 -10.575 3.163 1.00 0.00 H new ATOM 0 HG2 LYS B 55 4.299 -8.168 2.775 1.00 0.00 H new ATOM 0 HG3 LYS B 55 5.251 -8.548 4.196 1.00 0.00 H new ATOM 0 HD2 LYS B 55 7.264 -8.740 2.469 1.00 0.00 H new ATOM 0 HD3 LYS B 55 6.219 -7.804 1.418 1.00 0.00 H new ATOM 0 HE2 LYS B 55 7.583 -6.222 2.603 1.00 0.00 H new ATOM 0 HE3 LYS B 55 5.974 -6.102 3.285 1.00 0.00 H new ATOM 0 HZ1 LYS B 55 7.963 -6.223 4.847 1.00 0.00 H new ATOM 0 HZ2 LYS B 55 6.607 -7.179 5.206 1.00 0.00 H new ATOM 0 HZ3 LYS B 55 7.981 -7.885 4.500 1.00 0.00 H new ATOM 2337 N LEU B 56 5.415 -13.185 3.471 1.00 0.00 N ATOM 2338 CA LEU B 56 4.952 -14.405 4.118 1.00 0.00 C ATOM 2339 C LEU B 56 6.021 -14.972 5.065 1.00 0.00 C ATOM 2340 O LEU B 56 5.681 -15.420 6.158 1.00 0.00 O ATOM 2341 CB LEU B 56 4.492 -15.429 3.070 1.00 0.00 C ATOM 2342 CG LEU B 56 3.211 -15.006 2.327 1.00 0.00 C ATOM 2343 CD1 LEU B 56 3.035 -15.878 1.079 1.00 0.00 C ATOM 2344 CD2 LEU B 56 1.964 -15.136 3.212 1.00 0.00 C ATOM 0 H LEU B 56 5.379 -13.208 2.452 1.00 0.00 H new ATOM 0 HA LEU B 56 4.087 -14.165 4.736 1.00 0.00 H new ATOM 0 HB2 LEU B 56 5.291 -15.580 2.345 1.00 0.00 H new ATOM 0 HB3 LEU B 56 4.320 -16.388 3.560 1.00 0.00 H new ATOM 0 HG LEU B 56 3.319 -13.957 2.050 1.00 0.00 H new ATOM 0 HD11 LEU B 56 2.129 -15.580 0.552 1.00 0.00 H new ATOM 0 HD12 LEU B 56 3.895 -15.751 0.422 1.00 0.00 H new ATOM 0 HD13 LEU B 56 2.956 -16.924 1.374 1.00 0.00 H new ATOM 0 HD21 LEU B 56 1.084 -14.827 2.648 1.00 0.00 H new ATOM 0 HD22 LEU B 56 1.848 -16.173 3.527 1.00 0.00 H new ATOM 0 HD23 LEU B 56 2.073 -14.500 4.090 1.00 0.00 H new ATOM 2356 N MET B 57 7.303 -14.950 4.679 1.00 0.00 N ATOM 2357 CA MET B 57 8.369 -15.403 5.570 1.00 0.00 C ATOM 2358 C MET B 57 8.571 -14.392 6.710 1.00 0.00 C ATOM 2359 O MET B 57 8.422 -14.725 7.884 1.00 0.00 O ATOM 2360 CB MET B 57 9.681 -15.624 4.801 1.00 0.00 C ATOM 2361 CG MET B 57 9.790 -16.963 4.051 1.00 0.00 C ATOM 2362 SD MET B 57 9.112 -17.055 2.372 1.00 0.00 S ATOM 2363 CE MET B 57 7.414 -17.610 2.648 1.00 0.00 C ATOM 0 H MET B 57 7.621 -14.627 3.765 1.00 0.00 H new ATOM 0 HA MET B 57 8.072 -16.360 5.998 1.00 0.00 H new ATOM 0 HB2 MET B 57 9.802 -14.814 4.082 1.00 0.00 H new ATOM 0 HB3 MET B 57 10.511 -15.552 5.504 1.00 0.00 H new ATOM 0 HG2 MET B 57 10.845 -17.233 4.000 1.00 0.00 H new ATOM 0 HG3 MET B 57 9.295 -17.725 4.653 1.00 0.00 H new ATOM 0 HE1 MET B 57 6.761 -17.173 1.893 1.00 0.00 H new ATOM 0 HE2 MET B 57 7.371 -18.697 2.580 1.00 0.00 H new ATOM 0 HE3 MET B 57 7.085 -17.295 3.638 1.00 0.00 H new ATOM 2373 N ASP B 58 8.923 -13.156 6.350 1.00 0.00 N ATOM 2374 CA ASP B 58 9.176 -12.015 7.227 1.00 0.00 C ATOM 2375 C ASP B 58 8.174 -11.951 8.370 1.00 0.00 C ATOM 2376 O ASP B 58 8.573 -11.762 9.513 1.00 0.00 O ATOM 2377 CB ASP B 58 9.124 -10.712 6.420 1.00 0.00 C ATOM 2378 CG ASP B 58 9.185 -9.475 7.312 1.00 0.00 C ATOM 2379 OD1 ASP B 58 10.212 -9.322 8.005 1.00 0.00 O ATOM 2380 OD2 ASP B 58 8.200 -8.702 7.279 1.00 0.00 O ATOM 0 H ASP B 58 9.047 -12.911 5.368 1.00 0.00 H new ATOM 0 HA ASP B 58 10.169 -12.142 7.657 1.00 0.00 H new ATOM 0 HB2 ASP B 58 9.955 -10.690 5.715 1.00 0.00 H new ATOM 0 HB3 ASP B 58 8.207 -10.688 5.832 1.00 0.00 H new ATOM 2385 N ASP B 59 6.885 -12.119 8.063 1.00 0.00 N ATOM 2386 CA ASP B 59 5.806 -12.183 9.041 1.00 0.00 C ATOM 2387 C ASP B 59 6.208 -12.971 10.293 1.00 0.00 C ATOM 2388 O ASP B 59 6.000 -12.508 11.416 1.00 0.00 O ATOM 2389 CB ASP B 59 4.597 -12.849 8.380 1.00 0.00 C ATOM 2390 CG ASP B 59 3.455 -13.011 9.367 1.00 0.00 C ATOM 2391 OD1 ASP B 59 2.946 -11.960 9.808 1.00 0.00 O ATOM 2392 OD2 ASP B 59 3.130 -14.177 9.673 1.00 0.00 O ATOM 0 H ASP B 59 6.559 -12.216 7.101 1.00 0.00 H new ATOM 0 HA ASP B 59 5.568 -11.169 9.362 1.00 0.00 H new ATOM 0 HB2 ASP B 59 4.266 -12.250 7.532 1.00 0.00 H new ATOM 0 HB3 ASP B 59 4.884 -13.825 7.988 1.00 0.00 H new ATOM 2397 N LEU B 60 6.788 -14.157 10.091 1.00 0.00 N ATOM 2398 CA LEU B 60 7.214 -15.035 11.167 1.00 0.00 C ATOM 2399 C LEU B 60 8.211 -14.310 12.070 1.00 0.00 C ATOM 2400 O LEU B 60 8.041 -14.281 13.286 1.00 0.00 O ATOM 2401 CB LEU B 60 7.841 -16.319 10.597 1.00 0.00 C ATOM 2402 CG LEU B 60 6.960 -17.073 9.585 1.00 0.00 C ATOM 2403 CD1 LEU B 60 7.737 -18.282 9.048 1.00 0.00 C ATOM 2404 CD2 LEU B 60 5.645 -17.548 10.207 1.00 0.00 C ATOM 0 H LEU B 60 6.974 -14.533 9.161 1.00 0.00 H new ATOM 0 HA LEU B 60 6.342 -15.313 11.759 1.00 0.00 H new ATOM 0 HB2 LEU B 60 8.785 -16.063 10.116 1.00 0.00 H new ATOM 0 HB3 LEU B 60 8.076 -16.990 11.423 1.00 0.00 H new ATOM 0 HG LEU B 60 6.712 -16.385 8.777 1.00 0.00 H new ATOM 0 HD11 LEU B 60 7.119 -18.822 8.330 1.00 0.00 H new ATOM 0 HD12 LEU B 60 8.649 -17.940 8.558 1.00 0.00 H new ATOM 0 HD13 LEU B 60 7.996 -18.944 9.874 1.00 0.00 H new ATOM 0 HD21 LEU B 60 5.056 -18.075 9.456 1.00 0.00 H new ATOM 0 HD22 LEU B 60 5.858 -18.220 11.038 1.00 0.00 H new ATOM 0 HD23 LEU B 60 5.083 -16.688 10.571 1.00 0.00 H new ATOM 2416 N ASP B 61 9.247 -13.713 11.473 1.00 0.00 N ATOM 2417 CA ASP B 61 10.295 -13.014 12.205 1.00 0.00 C ATOM 2418 C ASP B 61 9.749 -11.755 12.878 1.00 0.00 C ATOM 2419 O ASP B 61 10.111 -11.446 14.008 1.00 0.00 O ATOM 2420 CB ASP B 61 11.447 -12.663 11.258 1.00 0.00 C ATOM 2421 CG ASP B 61 12.552 -11.922 12.003 1.00 0.00 C ATOM 2422 OD1 ASP B 61 13.305 -12.608 12.728 1.00 0.00 O ATOM 2423 OD2 ASP B 61 12.618 -10.684 11.844 1.00 0.00 O ATOM 0 H ASP B 61 9.378 -13.704 10.462 1.00 0.00 H new ATOM 0 HA ASP B 61 10.669 -13.674 12.988 1.00 0.00 H new ATOM 0 HB2 ASP B 61 11.849 -13.573 10.813 1.00 0.00 H new ATOM 0 HB3 ASP B 61 11.076 -12.046 10.440 1.00 0.00 H new ATOM 2428 N ARG B 62 8.891 -11.022 12.169 1.00 0.00 N ATOM 2429 CA ARG B 62 8.282 -9.788 12.636 1.00 0.00 C ATOM 2430 C ARG B 62 7.468 -10.054 13.904 1.00 0.00 C ATOM 2431 O ARG B 62 7.588 -9.323 14.885 1.00 0.00 O ATOM 2432 CB ARG B 62 7.422 -9.206 11.503 1.00 0.00 C ATOM 2433 CG ARG B 62 6.829 -7.834 11.854 1.00 0.00 C ATOM 2434 CD ARG B 62 5.971 -7.293 10.704 1.00 0.00 C ATOM 2435 NE ARG B 62 6.768 -7.104 9.484 1.00 0.00 N ATOM 2436 CZ ARG B 62 7.310 -5.956 9.048 1.00 0.00 C ATOM 2437 NH1 ARG B 62 7.190 -4.812 9.729 1.00 0.00 N ATOM 2438 NH2 ARG B 62 7.998 -5.980 7.903 1.00 0.00 N ATOM 0 H ARG B 62 8.596 -11.282 11.228 1.00 0.00 H new ATOM 0 HA ARG B 62 9.046 -9.056 12.897 1.00 0.00 H new ATOM 0 HB2 ARG B 62 8.029 -9.115 10.602 1.00 0.00 H new ATOM 0 HB3 ARG B 62 6.613 -9.899 11.274 1.00 0.00 H new ATOM 0 HG2 ARG B 62 6.223 -7.916 12.756 1.00 0.00 H new ATOM 0 HG3 ARG B 62 7.633 -7.132 12.073 1.00 0.00 H new ATOM 0 HD2 ARG B 62 5.152 -7.984 10.502 1.00 0.00 H new ATOM 0 HD3 ARG B 62 5.522 -6.344 10.998 1.00 0.00 H new ATOM 0 HE ARG B 62 6.926 -7.931 8.909 1.00 0.00 H new ATOM 0 HH11 ARG B 62 6.674 -4.794 10.609 1.00 0.00 H new ATOM 0 HH12 ARG B 62 7.615 -3.957 9.369 1.00 0.00 H new ATOM 0 HH21 ARG B 62 8.099 -6.854 7.387 1.00 0.00 H new ATOM 0 HH22 ARG B 62 8.422 -5.124 7.545 1.00 0.00 H new ATOM 2452 N ASN B 63 6.628 -11.092 13.881 1.00 0.00 N ATOM 2453 CA ASN B 63 5.762 -11.412 15.010 1.00 0.00 C ATOM 2454 C ASN B 63 6.526 -12.154 16.102 1.00 0.00 C ATOM 2455 O ASN B 63 6.388 -11.847 17.283 1.00 0.00 O ATOM 2456 CB ASN B 63 4.596 -12.300 14.563 1.00 0.00 C ATOM 2457 CG ASN B 63 3.518 -11.532 13.810 1.00 0.00 C ATOM 2458 OD1 ASN B 63 2.456 -11.241 14.352 1.00 0.00 O ATOM 2459 ND2 ASN B 63 3.750 -11.259 12.533 1.00 0.00 N ATOM 0 H ASN B 63 6.532 -11.725 13.087 1.00 0.00 H new ATOM 0 HA ASN B 63 5.389 -10.466 15.401 1.00 0.00 H new ATOM 0 HB2 ASN B 63 4.978 -13.098 13.926 1.00 0.00 H new ATOM 0 HB3 ASN B 63 4.152 -12.775 15.438 1.00 0.00 H new ATOM 0 HD21 ASN B 63 3.035 -10.794 11.973 1.00 0.00 H new ATOM 0 HD22 ASN B 63 4.643 -11.514 12.111 1.00 0.00 H new ATOM 2517 N GLU B 67 2.032 -9.849 18.827 1.00 0.00 N ATOM 2518 CA GLU B 67 1.118 -9.261 17.866 1.00 0.00 C ATOM 2519 C GLU B 67 1.749 -8.013 17.244 1.00 0.00 C ATOM 2520 O GLU B 67 2.424 -7.253 17.938 1.00 0.00 O ATOM 2521 CB GLU B 67 -0.199 -8.889 18.565 1.00 0.00 C ATOM 2522 CG GLU B 67 -0.931 -10.079 19.211 1.00 0.00 C ATOM 2523 CD GLU B 67 -0.305 -10.601 20.505 1.00 0.00 C ATOM 2524 OE1 GLU B 67 0.497 -9.851 21.109 1.00 0.00 O ATOM 2525 OE2 GLU B 67 -0.630 -11.752 20.866 1.00 0.00 O ATOM 0 HA GLU B 67 0.912 -9.985 17.077 1.00 0.00 H new ATOM 0 HB2 GLU B 67 0.009 -8.145 19.334 1.00 0.00 H new ATOM 0 HB3 GLU B 67 -0.863 -8.420 17.838 1.00 0.00 H new ATOM 0 HG2 GLU B 67 -1.960 -9.784 19.417 1.00 0.00 H new ATOM 0 HG3 GLU B 67 -0.971 -10.896 18.490 1.00 0.00 H new ATOM 2532 N VAL B 68 1.497 -7.775 15.956 1.00 0.00 N ATOM 2533 CA VAL B 68 1.836 -6.517 15.310 1.00 0.00 C ATOM 2534 C VAL B 68 0.682 -5.535 15.530 1.00 0.00 C ATOM 2535 O VAL B 68 -0.460 -5.950 15.731 1.00 0.00 O ATOM 2536 CB VAL B 68 2.135 -6.710 13.814 1.00 0.00 C ATOM 2537 CG1 VAL B 68 3.345 -7.623 13.594 1.00 0.00 C ATOM 2538 CG2 VAL B 68 0.938 -7.233 13.018 1.00 0.00 C ATOM 0 H VAL B 68 1.052 -8.452 15.336 1.00 0.00 H new ATOM 0 HA VAL B 68 2.747 -6.115 15.753 1.00 0.00 H new ATOM 0 HB VAL B 68 2.364 -5.714 13.435 1.00 0.00 H new ATOM 0 HG11 VAL B 68 3.526 -7.736 12.525 1.00 0.00 H new ATOM 0 HG12 VAL B 68 4.223 -7.183 14.066 1.00 0.00 H new ATOM 0 HG13 VAL B 68 3.148 -8.601 14.034 1.00 0.00 H new ATOM 0 HG21 VAL B 68 1.219 -7.346 11.971 1.00 0.00 H new ATOM 0 HG22 VAL B 68 0.630 -8.199 13.417 1.00 0.00 H new ATOM 0 HG23 VAL B 68 0.111 -6.527 13.098 1.00 0.00 H new ATOM 2548 N ASN B 69 0.992 -4.235 15.484 1.00 0.00 N ATOM 2549 CA ASN B 69 0.028 -3.144 15.596 1.00 0.00 C ATOM 2550 C ASN B 69 -0.367 -2.605 14.222 1.00 0.00 C ATOM 2551 O ASN B 69 0.261 -2.944 13.219 1.00 0.00 O ATOM 2552 CB ASN B 69 0.594 -2.023 16.480 1.00 0.00 C ATOM 2553 CG ASN B 69 1.754 -1.279 15.820 1.00 0.00 C ATOM 2554 OD1 ASN B 69 1.579 -0.598 14.815 1.00 0.00 O ATOM 2555 ND2 ASN B 69 2.956 -1.398 16.371 1.00 0.00 N ATOM 0 H ASN B 69 1.950 -3.907 15.364 1.00 0.00 H new ATOM 0 HA ASN B 69 -0.874 -3.537 16.065 1.00 0.00 H new ATOM 0 HB2 ASN B 69 -0.200 -1.314 16.714 1.00 0.00 H new ATOM 0 HB3 ASN B 69 0.931 -2.447 17.426 1.00 0.00 H new ATOM 0 HD21 ASN B 69 3.756 -0.918 15.959 1.00 0.00 H new ATOM 0 HD22 ASN B 69 3.080 -1.969 17.207 1.00 0.00 H new ATOM 2562 N PHE B 70 -1.378 -1.731 14.191 1.00 0.00 N ATOM 2563 CA PHE B 70 -1.828 -1.033 12.991 1.00 0.00 C ATOM 2564 C PHE B 70 -0.672 -0.537 12.112 1.00 0.00 C ATOM 2565 O PHE B 70 -0.559 -0.954 10.963 1.00 0.00 O ATOM 2566 CB PHE B 70 -2.771 0.119 13.370 1.00 0.00 C ATOM 2567 CG PHE B 70 -3.290 0.920 12.187 1.00 0.00 C ATOM 2568 CD1 PHE B 70 -4.035 0.283 11.177 1.00 0.00 C ATOM 2569 CD2 PHE B 70 -3.011 2.296 12.077 1.00 0.00 C ATOM 2570 CE1 PHE B 70 -4.515 1.016 10.078 1.00 0.00 C ATOM 2571 CE2 PHE B 70 -3.481 3.026 10.972 1.00 0.00 C ATOM 2572 CZ PHE B 70 -4.224 2.386 9.965 1.00 0.00 C ATOM 0 H PHE B 70 -1.917 -1.486 15.022 1.00 0.00 H new ATOM 0 HA PHE B 70 -2.374 -1.758 12.387 1.00 0.00 H new ATOM 0 HB2 PHE B 70 -3.620 -0.288 13.918 1.00 0.00 H new ATOM 0 HB3 PHE B 70 -2.247 0.793 14.048 1.00 0.00 H new ATOM 0 HD1 PHE B 70 -4.239 -0.775 11.247 1.00 0.00 H new ATOM 0 HD2 PHE B 70 -2.434 2.792 12.844 1.00 0.00 H new ATOM 0 HE1 PHE B 70 -5.108 0.526 9.320 1.00 0.00 H new ATOM 0 HE2 PHE B 70 -3.271 4.083 10.896 1.00 0.00 H new ATOM 0 HZ PHE B 70 -4.570 2.945 9.108 1.00 0.00 H new ATOM 2582 N GLN B 71 0.202 0.342 12.616 1.00 0.00 N ATOM 2583 CA GLN B 71 1.252 0.907 11.775 1.00 0.00 C ATOM 2584 C GLN B 71 2.210 -0.184 11.292 1.00 0.00 C ATOM 2585 O GLN B 71 2.706 -0.101 10.175 1.00 0.00 O ATOM 2586 CB GLN B 71 2.000 2.053 12.473 1.00 0.00 C ATOM 2587 CG GLN B 71 2.836 2.900 11.490 1.00 0.00 C ATOM 2588 CD GLN B 71 1.970 3.784 10.598 1.00 0.00 C ATOM 2589 OE1 GLN B 71 1.394 4.763 11.061 1.00 0.00 O ATOM 2590 NE2 GLN B 71 1.884 3.462 9.311 1.00 0.00 N ATOM 0 H GLN B 71 0.201 0.669 13.582 1.00 0.00 H new ATOM 0 HA GLN B 71 0.770 1.341 10.899 1.00 0.00 H new ATOM 0 HB2 GLN B 71 1.281 2.696 12.980 1.00 0.00 H new ATOM 0 HB3 GLN B 71 2.655 1.640 13.240 1.00 0.00 H new ATOM 0 HG2 GLN B 71 3.529 3.525 12.053 1.00 0.00 H new ATOM 0 HG3 GLN B 71 3.438 2.239 10.866 1.00 0.00 H new ATOM 0 HE21 GLN B 71 2.375 2.641 8.957 1.00 0.00 H new ATOM 0 HE22 GLN B 71 1.327 4.036 8.678 1.00 0.00 H new ATOM 2599 N GLU B 72 2.473 -1.218 12.099 1.00 0.00 N ATOM 2600 CA GLU B 72 3.260 -2.359 11.641 1.00 0.00 C ATOM 2601 C GLU B 72 2.557 -3.091 10.492 1.00 0.00 C ATOM 2602 O GLU B 72 3.190 -3.402 9.485 1.00 0.00 O ATOM 2603 CB GLU B 72 3.575 -3.311 12.800 1.00 0.00 C ATOM 2604 CG GLU B 72 4.747 -2.810 13.654 1.00 0.00 C ATOM 2605 CD GLU B 72 6.079 -2.873 12.905 1.00 0.00 C ATOM 2606 OE1 GLU B 72 6.302 -3.893 12.216 1.00 0.00 O ATOM 2607 OE2 GLU B 72 6.844 -1.893 13.028 1.00 0.00 O ATOM 0 H GLU B 72 2.153 -1.285 13.065 1.00 0.00 H new ATOM 0 HA GLU B 72 4.207 -1.980 11.258 1.00 0.00 H new ATOM 0 HB2 GLU B 72 2.691 -3.423 13.428 1.00 0.00 H new ATOM 0 HB3 GLU B 72 3.811 -4.299 12.404 1.00 0.00 H new ATOM 0 HG2 GLU B 72 4.555 -1.783 13.964 1.00 0.00 H new ATOM 0 HG3 GLU B 72 4.814 -3.409 14.562 1.00 0.00 H new ATOM 2614 N TYR B 73 1.253 -3.347 10.607 1.00 0.00 N ATOM 2615 CA TYR B 73 0.461 -3.882 9.503 1.00 0.00 C ATOM 2616 C TYR B 73 0.631 -2.995 8.262 1.00 0.00 C ATOM 2617 O TYR B 73 0.952 -3.477 7.175 1.00 0.00 O ATOM 2618 CB TYR B 73 -1.008 -4.040 9.936 1.00 0.00 C ATOM 2619 CG TYR B 73 -2.044 -3.764 8.861 1.00 0.00 C ATOM 2620 CD1 TYR B 73 -2.314 -4.724 7.870 1.00 0.00 C ATOM 2621 CD2 TYR B 73 -2.733 -2.535 8.847 1.00 0.00 C ATOM 2622 CE1 TYR B 73 -3.324 -4.486 6.920 1.00 0.00 C ATOM 2623 CE2 TYR B 73 -3.702 -2.279 7.865 1.00 0.00 C ATOM 2624 CZ TYR B 73 -4.032 -3.272 6.930 1.00 0.00 C ATOM 2625 OH TYR B 73 -5.045 -3.068 6.041 1.00 0.00 O ATOM 0 H TYR B 73 0.721 -3.190 11.463 1.00 0.00 H new ATOM 0 HA TYR B 73 0.817 -4.876 9.233 1.00 0.00 H new ATOM 0 HB2 TYR B 73 -1.153 -5.057 10.302 1.00 0.00 H new ATOM 0 HB3 TYR B 73 -1.194 -3.370 10.775 1.00 0.00 H new ATOM 0 HD1 TYR B 73 -1.747 -5.643 7.838 1.00 0.00 H new ATOM 0 HD2 TYR B 73 -2.514 -1.787 9.595 1.00 0.00 H new ATOM 0 HE1 TYR B 73 -3.556 -5.238 6.181 1.00 0.00 H new ATOM 0 HE2 TYR B 73 -4.194 -1.318 7.829 1.00 0.00 H new ATOM 0 HH TYR B 73 -5.659 -2.390 6.394 1.00 0.00 H new ATOM 2635 N ILE B 74 0.459 -1.682 8.427 1.00 0.00 N ATOM 2636 CA ILE B 74 0.674 -0.728 7.350 1.00 0.00 C ATOM 2637 C ILE B 74 2.108 -0.832 6.813 1.00 0.00 C ATOM 2638 O ILE B 74 2.318 -0.712 5.610 1.00 0.00 O ATOM 2639 CB ILE B 74 0.349 0.701 7.819 1.00 0.00 C ATOM 2640 CG1 ILE B 74 -1.111 0.911 8.267 1.00 0.00 C ATOM 2641 CG2 ILE B 74 0.680 1.696 6.715 1.00 0.00 C ATOM 2642 CD1 ILE B 74 -2.134 0.870 7.127 1.00 0.00 C ATOM 0 H ILE B 74 0.168 -1.257 9.308 1.00 0.00 H new ATOM 0 HA ILE B 74 -0.004 -0.970 6.531 1.00 0.00 H new ATOM 0 HB ILE B 74 0.968 0.867 8.701 1.00 0.00 H new ATOM 0 HG12 ILE B 74 -1.368 0.144 8.998 1.00 0.00 H new ATOM 0 HG13 ILE B 74 -1.188 1.873 8.774 1.00 0.00 H new ATOM 0 HG21 ILE B 74 0.448 2.706 7.054 1.00 0.00 H new ATOM 0 HG22 ILE B 74 1.740 1.630 6.472 1.00 0.00 H new ATOM 0 HG23 ILE B 74 0.089 1.466 5.828 1.00 0.00 H new ATOM 0 HD11 ILE B 74 -3.135 1.026 7.530 1.00 0.00 H new ATOM 0 HD12 ILE B 74 -1.907 1.655 6.406 1.00 0.00 H new ATOM 0 HD13 ILE B 74 -2.090 -0.101 6.633 1.00 0.00 H new ATOM 2654 N THR B 75 3.103 -1.044 7.677 1.00 0.00 N ATOM 2655 CA THR B 75 4.487 -1.229 7.258 1.00 0.00 C ATOM 2656 C THR B 75 4.609 -2.487 6.403 1.00 0.00 C ATOM 2657 O THR B 75 5.290 -2.473 5.384 1.00 0.00 O ATOM 2658 CB THR B 75 5.440 -1.237 8.463 1.00 0.00 C ATOM 2659 OG1 THR B 75 5.283 -0.038 9.190 1.00 0.00 O ATOM 2660 CG2 THR B 75 6.907 -1.329 8.028 1.00 0.00 C ATOM 0 H THR B 75 2.968 -1.092 8.687 1.00 0.00 H new ATOM 0 HA THR B 75 4.787 -0.382 6.641 1.00 0.00 H new ATOM 0 HB THR B 75 5.193 -2.109 9.069 1.00 0.00 H new ATOM 0 HG1 THR B 75 4.365 0.023 9.527 1.00 0.00 H new ATOM 0 HG21 THR B 75 7.548 -1.332 8.909 1.00 0.00 H new ATOM 0 HG22 THR B 75 7.062 -2.248 7.463 1.00 0.00 H new ATOM 0 HG23 THR B 75 7.155 -0.472 7.402 1.00 0.00 H new ATOM 2668 N PHE B 76 3.933 -3.568 6.791 1.00 0.00 N ATOM 2669 CA PHE B 76 3.880 -4.787 6.002 1.00 0.00 C ATOM 2670 C PHE B 76 3.345 -4.466 4.600 1.00 0.00 C ATOM 2671 O PHE B 76 4.003 -4.748 3.599 1.00 0.00 O ATOM 2672 CB PHE B 76 3.035 -5.835 6.741 1.00 0.00 C ATOM 2673 CG PHE B 76 3.251 -7.266 6.298 1.00 0.00 C ATOM 2674 CD1 PHE B 76 4.296 -8.017 6.867 1.00 0.00 C ATOM 2675 CD2 PHE B 76 2.312 -7.896 5.460 1.00 0.00 C ATOM 2676 CE1 PHE B 76 4.376 -9.401 6.638 1.00 0.00 C ATOM 2677 CE2 PHE B 76 2.379 -9.284 5.250 1.00 0.00 C ATOM 2678 CZ PHE B 76 3.400 -10.038 5.851 1.00 0.00 C ATOM 0 H PHE B 76 3.407 -3.618 7.664 1.00 0.00 H new ATOM 0 HA PHE B 76 4.877 -5.210 5.874 1.00 0.00 H new ATOM 0 HB2 PHE B 76 3.250 -5.765 7.807 1.00 0.00 H new ATOM 0 HB3 PHE B 76 1.982 -5.586 6.611 1.00 0.00 H new ATOM 0 HD1 PHE B 76 5.038 -7.529 7.481 1.00 0.00 H new ATOM 0 HD2 PHE B 76 1.541 -7.313 4.979 1.00 0.00 H new ATOM 0 HE1 PHE B 76 5.185 -9.974 7.065 1.00 0.00 H new ATOM 0 HE2 PHE B 76 1.645 -9.771 4.626 1.00 0.00 H new ATOM 0 HZ PHE B 76 3.436 -11.108 5.709 1.00 0.00 H new ATOM 2688 N LEU B 77 2.171 -3.828 4.520 1.00 0.00 N ATOM 2689 CA LEU B 77 1.588 -3.450 3.235 1.00 0.00 C ATOM 2690 C LEU B 77 2.513 -2.527 2.433 1.00 0.00 C ATOM 2691 O LEU B 77 2.721 -2.736 1.240 1.00 0.00 O ATOM 2692 CB LEU B 77 0.224 -2.774 3.418 1.00 0.00 C ATOM 2693 CG LEU B 77 -0.863 -3.654 4.055 1.00 0.00 C ATOM 2694 CD1 LEU B 77 -2.189 -2.893 3.957 1.00 0.00 C ATOM 2695 CD2 LEU B 77 -1.007 -5.017 3.367 1.00 0.00 C ATOM 0 H LEU B 77 1.610 -3.565 5.330 1.00 0.00 H new ATOM 0 HA LEU B 77 1.455 -4.375 2.674 1.00 0.00 H new ATOM 0 HB2 LEU B 77 0.357 -1.885 4.035 1.00 0.00 H new ATOM 0 HB3 LEU B 77 -0.130 -2.436 2.444 1.00 0.00 H new ATOM 0 HG LEU B 77 -0.582 -3.855 5.089 1.00 0.00 H new ATOM 0 HD11 LEU B 77 -2.985 -3.491 4.401 1.00 0.00 H new ATOM 0 HD12 LEU B 77 -2.105 -1.946 4.490 1.00 0.00 H new ATOM 0 HD13 LEU B 77 -2.421 -2.700 2.910 1.00 0.00 H new ATOM 0 HD21 LEU B 77 -1.789 -5.593 3.861 1.00 0.00 H new ATOM 0 HD22 LEU B 77 -1.271 -4.870 2.320 1.00 0.00 H new ATOM 0 HD23 LEU B 77 -0.063 -5.558 3.431 1.00 0.00 H new ATOM 2707 N GLY B 78 3.049 -1.490 3.070 1.00 0.00 N ATOM 2708 CA GLY B 78 3.886 -0.496 2.420 1.00 0.00 C ATOM 2709 C GLY B 78 5.172 -1.128 1.894 1.00 0.00 C ATOM 2710 O GLY B 78 5.574 -0.870 0.764 1.00 0.00 O ATOM 0 H GLY B 78 2.910 -1.317 4.066 1.00 0.00 H new ATOM 0 HA2 GLY B 78 3.339 -0.036 1.597 1.00 0.00 H new ATOM 0 HA3 GLY B 78 4.129 0.299 3.125 1.00 0.00 H new ATOM 2714 N ALA B 79 5.809 -1.983 2.691 1.00 0.00 N ATOM 2715 CA ALA B 79 6.997 -2.705 2.275 1.00 0.00 C ATOM 2716 C ALA B 79 6.668 -3.634 1.103 1.00 0.00 C ATOM 2717 O ALA B 79 7.372 -3.611 0.100 1.00 0.00 O ATOM 2718 CB ALA B 79 7.602 -3.442 3.471 1.00 0.00 C ATOM 0 H ALA B 79 5.511 -2.191 3.644 1.00 0.00 H new ATOM 0 HA ALA B 79 7.752 -2.006 1.916 1.00 0.00 H new ATOM 0 HB1 ALA B 79 8.494 -3.982 3.152 1.00 0.00 H new ATOM 0 HB2 ALA B 79 7.871 -2.722 4.244 1.00 0.00 H new ATOM 0 HB3 ALA B 79 6.873 -4.148 3.870 1.00 0.00 H new ATOM 2724 N LEU B 80 5.594 -4.424 1.196 1.00 0.00 N ATOM 2725 CA LEU B 80 5.102 -5.258 0.094 1.00 0.00 C ATOM 2726 C LEU B 80 4.984 -4.418 -1.183 1.00 0.00 C ATOM 2727 O LEU B 80 5.605 -4.707 -2.216 1.00 0.00 O ATOM 2728 CB LEU B 80 3.775 -5.890 0.560 1.00 0.00 C ATOM 2729 CG LEU B 80 2.844 -6.609 -0.433 1.00 0.00 C ATOM 2730 CD1 LEU B 80 1.911 -5.644 -1.171 1.00 0.00 C ATOM 2731 CD2 LEU B 80 3.565 -7.532 -1.414 1.00 0.00 C ATOM 0 H LEU B 80 5.036 -4.504 2.046 1.00 0.00 H new ATOM 0 HA LEU B 80 5.790 -6.065 -0.158 1.00 0.00 H new ATOM 0 HB2 LEU B 80 4.021 -6.608 1.343 1.00 0.00 H new ATOM 0 HB3 LEU B 80 3.191 -5.097 1.027 1.00 0.00 H new ATOM 0 HG LEU B 80 2.231 -7.255 0.195 1.00 0.00 H new ATOM 0 HD11 LEU B 80 1.277 -6.205 -1.858 1.00 0.00 H new ATOM 0 HD12 LEU B 80 1.287 -5.118 -0.449 1.00 0.00 H new ATOM 0 HD13 LEU B 80 2.504 -4.922 -1.732 1.00 0.00 H new ATOM 0 HD21 LEU B 80 2.837 -7.998 -2.077 1.00 0.00 H new ATOM 0 HD22 LEU B 80 4.274 -6.952 -2.005 1.00 0.00 H new ATOM 0 HD23 LEU B 80 4.099 -8.305 -0.861 1.00 0.00 H new ATOM 2743 N ALA B 81 4.204 -3.342 -1.070 1.00 0.00 N ATOM 2744 CA ALA B 81 3.958 -2.394 -2.136 1.00 0.00 C ATOM 2745 C ALA B 81 5.273 -1.925 -2.742 1.00 0.00 C ATOM 2746 O ALA B 81 5.453 -2.038 -3.951 1.00 0.00 O ATOM 2747 CB ALA B 81 3.139 -1.219 -1.595 1.00 0.00 C ATOM 0 H ALA B 81 3.716 -3.107 -0.206 1.00 0.00 H new ATOM 0 HA ALA B 81 3.386 -2.876 -2.929 1.00 0.00 H new ATOM 0 HB1 ALA B 81 2.953 -0.505 -2.397 1.00 0.00 H new ATOM 0 HB2 ALA B 81 2.188 -1.586 -1.209 1.00 0.00 H new ATOM 0 HB3 ALA B 81 3.692 -0.729 -0.793 1.00 0.00 H new ATOM 2753 N MET B 82 6.185 -1.413 -1.918 1.00 0.00 N ATOM 2754 CA MET B 82 7.456 -0.873 -2.363 1.00 0.00 C ATOM 2755 C MET B 82 8.318 -1.941 -3.035 1.00 0.00 C ATOM 2756 O MET B 82 8.897 -1.679 -4.087 1.00 0.00 O ATOM 2757 CB MET B 82 8.159 -0.203 -1.178 1.00 0.00 C ATOM 2758 CG MET B 82 9.480 0.467 -1.573 1.00 0.00 C ATOM 2759 SD MET B 82 9.974 1.879 -0.550 1.00 0.00 S ATOM 2760 CE MET B 82 9.973 1.126 1.092 1.00 0.00 C ATOM 0 H MET B 82 6.054 -1.364 -0.908 1.00 0.00 H new ATOM 0 HA MET B 82 7.281 -0.116 -3.128 1.00 0.00 H new ATOM 0 HB2 MET B 82 7.495 0.543 -0.742 1.00 0.00 H new ATOM 0 HB3 MET B 82 8.351 -0.949 -0.407 1.00 0.00 H new ATOM 0 HG2 MET B 82 10.272 -0.281 -1.536 1.00 0.00 H new ATOM 0 HG3 MET B 82 9.403 0.800 -2.608 1.00 0.00 H new ATOM 0 HE1 MET B 82 10.343 1.845 1.822 1.00 0.00 H new ATOM 0 HE2 MET B 82 8.958 0.830 1.356 1.00 0.00 H new ATOM 0 HE3 MET B 82 10.618 0.247 1.090 1.00 0.00 H new ATOM 2770 N ILE B 83 8.424 -3.133 -2.441 1.00 0.00 N ATOM 2771 CA ILE B 83 9.272 -4.181 -2.987 1.00 0.00 C ATOM 2772 C ILE B 83 8.800 -4.557 -4.394 1.00 0.00 C ATOM 2773 O ILE B 83 9.649 -4.652 -5.283 1.00 0.00 O ATOM 2774 CB ILE B 83 9.399 -5.405 -2.059 1.00 0.00 C ATOM 2775 CG1 ILE B 83 10.084 -5.061 -0.725 1.00 0.00 C ATOM 2776 CG2 ILE B 83 10.249 -6.489 -2.751 1.00 0.00 C ATOM 2777 CD1 ILE B 83 9.830 -6.157 0.318 1.00 0.00 C ATOM 0 H ILE B 83 7.932 -3.390 -1.585 1.00 0.00 H new ATOM 0 HA ILE B 83 10.284 -3.782 -3.060 1.00 0.00 H new ATOM 0 HB ILE B 83 8.386 -5.753 -1.855 1.00 0.00 H new ATOM 0 HG12 ILE B 83 11.156 -4.944 -0.882 1.00 0.00 H new ATOM 0 HG13 ILE B 83 9.710 -4.107 -0.355 1.00 0.00 H new ATOM 0 HG21 ILE B 83 10.339 -7.355 -2.095 1.00 0.00 H new ATOM 0 HG22 ILE B 83 9.769 -6.788 -3.683 1.00 0.00 H new ATOM 0 HG23 ILE B 83 11.241 -6.092 -2.965 1.00 0.00 H new ATOM 0 HD11 ILE B 83 10.324 -5.891 1.253 1.00 0.00 H new ATOM 0 HD12 ILE B 83 8.758 -6.255 0.489 1.00 0.00 H new ATOM 0 HD13 ILE B 83 10.227 -7.105 -0.046 1.00 0.00 H new ATOM 2789 N TYR B 84 7.493 -4.790 -4.614 1.00 0.00 N ATOM 2790 CA TYR B 84 7.060 -5.151 -5.970 1.00 0.00 C ATOM 2791 C TYR B 84 6.857 -3.955 -6.913 1.00 0.00 C ATOM 2792 O TYR B 84 7.196 -4.045 -8.094 1.00 0.00 O ATOM 2793 CB TYR B 84 6.053 -6.314 -6.054 1.00 0.00 C ATOM 2794 CG TYR B 84 4.711 -6.298 -5.351 1.00 0.00 C ATOM 2795 CD1 TYR B 84 3.997 -5.109 -5.123 1.00 0.00 C ATOM 2796 CD2 TYR B 84 4.068 -7.538 -5.167 1.00 0.00 C ATOM 2797 CE1 TYR B 84 2.647 -5.165 -4.734 1.00 0.00 C ATOM 2798 CE2 TYR B 84 2.729 -7.598 -4.754 1.00 0.00 C ATOM 2799 CZ TYR B 84 2.010 -6.406 -4.562 1.00 0.00 C ATOM 2800 OH TYR B 84 0.693 -6.446 -4.214 1.00 0.00 O ATOM 0 H TYR B 84 6.756 -4.738 -3.911 1.00 0.00 H new ATOM 0 HA TYR B 84 7.930 -5.628 -6.422 1.00 0.00 H new ATOM 0 HB2 TYR B 84 5.845 -6.467 -7.113 1.00 0.00 H new ATOM 0 HB3 TYR B 84 6.577 -7.202 -5.700 1.00 0.00 H new ATOM 0 HD1 TYR B 84 4.485 -4.153 -5.246 1.00 0.00 H new ATOM 0 HD2 TYR B 84 4.613 -8.453 -5.346 1.00 0.00 H new ATOM 0 HE1 TYR B 84 2.097 -4.251 -4.567 1.00 0.00 H new ATOM 0 HE2 TYR B 84 2.254 -8.553 -4.585 1.00 0.00 H new ATOM 0 HH TYR B 84 0.403 -7.379 -4.136 1.00 0.00 H new ATOM 2810 N ASN B 85 6.400 -2.801 -6.419 1.00 0.00 N ATOM 2811 CA ASN B 85 6.351 -1.582 -7.225 1.00 0.00 C ATOM 2812 C ASN B 85 7.742 -0.959 -7.245 1.00 0.00 C ATOM 2813 O ASN B 85 7.979 0.064 -6.603 1.00 0.00 O ATOM 2814 CB ASN B 85 5.309 -0.573 -6.722 1.00 0.00 C ATOM 2815 CG ASN B 85 3.884 -1.089 -6.865 1.00 0.00 C ATOM 2816 OD1 ASN B 85 3.220 -0.841 -7.865 1.00 0.00 O ATOM 2817 ND2 ASN B 85 3.394 -1.797 -5.854 1.00 0.00 N ATOM 0 H ASN B 85 6.059 -2.687 -5.464 1.00 0.00 H new ATOM 0 HA ASN B 85 6.039 -1.853 -8.234 1.00 0.00 H new ATOM 0 HB2 ASN B 85 5.506 -0.343 -5.675 1.00 0.00 H new ATOM 0 HB3 ASN B 85 5.412 0.359 -7.278 1.00 0.00 H new ATOM 0 HD21 ASN B 85 2.439 -2.152 -5.896 1.00 0.00 H new ATOM 0 HD22 ASN B 85 3.973 -1.986 -5.036 1.00 0.00 H new ATOM 2824 N GLU B 86 8.643 -1.568 -8.023 1.00 0.00 N ATOM 2825 CA GLU B 86 10.032 -1.153 -8.210 1.00 0.00 C ATOM 2826 C GLU B 86 10.193 0.370 -8.319 1.00 0.00 C ATOM 2827 O GLU B 86 11.151 0.923 -7.783 1.00 0.00 O ATOM 2828 CB GLU B 86 10.605 -1.875 -9.439 1.00 0.00 C ATOM 2829 CG GLU B 86 12.102 -1.602 -9.626 1.00 0.00 C ATOM 2830 CD GLU B 86 12.675 -2.443 -10.762 1.00 0.00 C ATOM 2831 OE1 GLU B 86 12.442 -2.056 -11.927 1.00 0.00 O ATOM 2832 OE2 GLU B 86 13.320 -3.465 -10.441 1.00 0.00 O ATOM 0 H GLU B 86 8.410 -2.401 -8.563 1.00 0.00 H new ATOM 0 HA GLU B 86 10.597 -1.437 -7.322 1.00 0.00 H new ATOM 0 HB2 GLU B 86 10.443 -2.948 -9.336 1.00 0.00 H new ATOM 0 HB3 GLU B 86 10.065 -1.555 -10.330 1.00 0.00 H new ATOM 0 HG2 GLU B 86 12.258 -0.544 -9.838 1.00 0.00 H new ATOM 0 HG3 GLU B 86 12.634 -1.824 -8.701 1.00 0.00 H new ATOM 2839 N ALA B 87 9.247 1.040 -8.986 1.00 0.00 N ATOM 2840 CA ALA B 87 9.145 2.495 -9.083 1.00 0.00 C ATOM 2841 C ALA B 87 9.473 3.220 -7.769 1.00 0.00 C ATOM 2842 O ALA B 87 10.140 4.250 -7.783 1.00 0.00 O ATOM 2843 CB ALA B 87 7.730 2.861 -9.541 1.00 0.00 C ATOM 0 H ALA B 87 8.502 0.561 -9.493 1.00 0.00 H new ATOM 0 HA ALA B 87 9.890 2.826 -9.807 1.00 0.00 H new ATOM 0 HB1 ALA B 87 7.641 3.945 -9.617 1.00 0.00 H new ATOM 0 HB2 ALA B 87 7.535 2.412 -10.515 1.00 0.00 H new ATOM 0 HB3 ALA B 87 7.005 2.488 -8.817 1.00 0.00 H new ATOM 2849 N LEU B 88 8.985 2.700 -6.638 1.00 0.00 N ATOM 2850 CA LEU B 88 9.158 3.311 -5.323 1.00 0.00 C ATOM 2851 C LEU B 88 10.560 3.095 -4.741 1.00 0.00 C ATOM 2852 O LEU B 88 10.905 3.737 -3.753 1.00 0.00 O ATOM 2853 CB LEU B 88 8.102 2.758 -4.356 1.00 0.00 C ATOM 2854 CG LEU B 88 6.668 3.202 -4.679 1.00 0.00 C ATOM 2855 CD1 LEU B 88 5.711 2.423 -3.775 1.00 0.00 C ATOM 2856 CD2 LEU B 88 6.466 4.702 -4.428 1.00 0.00 C ATOM 0 H LEU B 88 8.452 1.831 -6.614 1.00 0.00 H new ATOM 0 HA LEU B 88 9.032 4.386 -5.451 1.00 0.00 H new ATOM 0 HB2 LEU B 88 8.146 1.669 -4.370 1.00 0.00 H new ATOM 0 HB3 LEU B 88 8.350 3.075 -3.343 1.00 0.00 H new ATOM 0 HG LEU B 88 6.475 3.006 -5.734 1.00 0.00 H new ATOM 0 HD11 LEU B 88 4.685 2.723 -3.987 1.00 0.00 H new ATOM 0 HD12 LEU B 88 5.823 1.355 -3.961 1.00 0.00 H new ATOM 0 HD13 LEU B 88 5.942 2.636 -2.731 1.00 0.00 H new ATOM 0 HD21 LEU B 88 5.439 4.976 -4.668 1.00 0.00 H new ATOM 0 HD22 LEU B 88 6.665 4.926 -3.380 1.00 0.00 H new ATOM 0 HD23 LEU B 88 7.150 5.272 -5.057 1.00 0.00 H new