USER MOD reduce.3.24.130724 H: found=0, std=0, add=1148, rem=0, adj=32 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= 0.663 K(o=1.4,f=-2.8) USER MOD Set 1.2: B 40 LYS NZ :NH3+ -173:sc= 0.741 (180deg=0) USER MOD Set 2.1: B 18 LYS NZ :NH3+ -175:sc= 0.95 (180deg=-0.0673) USER MOD Set 2.2: B 19 TYR OH : rot 169:sc= 2.02 USER MOD Set 3.1: A 71 GLN : amide:sc= -1.46 K(o=0.06,f=-2.4) USER MOD Set 3.2: B 75 THR OG1 : rot 75:sc= 1.52 USER MOD Set 4.1: A 39 GLN : amide:sc= 0.743 K(o=1.5,f=-4.4!) USER MOD Set 4.2: A 40 LYS NZ :NH3+ -174:sc= 0.771 (180deg=-0.135) USER MOD Set 5.1: A 17 HIS : no HE2:sc= -0.0759 K(o=1.9,f=-2!) USER MOD Set 5.2: A 20 SER OG : rot -172:sc= 2 USER MOD Set 6.1: A 18 LYS NZ :NH3+ 169:sc= 0.8 (180deg=0.582) USER MOD Set 6.2: A 19 TYR OH : rot 1:sc= 1.24 USER MOD Single : A 3 SER OG : rot -170:sc= 0.0952 USER MOD Single : A 7 GLN : amide:sc= 0.791 K(o=0.79,f=-0.071) USER MOD Single : A 28 THR OG1 : rot -25:sc= 0.622 USER MOD Single : A 30 SER OG : rot -58:sc= 1.24 USER MOD Single : A 31 LYS NZ :NH3+ -174:sc=-0.00868 (180deg=-0.0748) USER MOD Single : A 32 LYS NZ :NH3+ -172:sc= 0.519 (180deg=0.481) USER MOD Single : A 35 LYS NZ :NH3+ 162:sc= 0.903 (180deg=0.574) USER MOD Single : A 55 LYS NZ :NH3+ 172:sc= 0.412 (180deg=0.26) USER MOD Single : A 57 MET CE :methyl 150:sc= -0.278 (180deg=-1.16) USER MOD Single : A 69 ASN : amide:sc= 1.91 K(o=1.9,f=-3.3!) USER MOD Single : A 73 TYR OH : rot 155:sc= 1.09 USER MOD Single : A 75 THR OG1 : rot 75:sc= 1.19 USER MOD Single : A 82 MET CE :methyl -167:sc= -0.017 (180deg=-0.232) USER MOD Single : A 84 TYR OH : rot 53:sc= 0.834 USER MOD Single : A 85 ASN : amide:sc= 0.812 K(o=0.81,f=-0.11) USER MOD Single : B 3 SER OG : rot -150:sc= 0.16 USER MOD Single : B 7 GLN : amide:sc= 0.934 K(o=0.93,f=-0.011) USER MOD Single : B 17 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 20 SER OG : rot 62:sc= 0.435 USER MOD Single : B 27 HIS : no HE2:sc= 0.128 K(o=0.13,f=-2.7!) USER MOD Single : B 28 THR OG1 : rot 85:sc= 0.185 USER MOD Single : B 30 SER OG : rot 180:sc= 0.686 USER MOD Single : B 31 LYS NZ :NH3+ -153:sc= -0.0169 (180deg=-0.209) USER MOD Single : B 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 55 LYS NZ :NH3+ -139:sc= -0.163 (180deg=-0.392) USER MOD Single : B 57 MET CE :methyl -127:sc= -0.076 (180deg=-1.46) USER MOD Single : B 63 ASN : amide:sc= -0.447 K(o=-0.45,f=-3.3!) USER MOD Single : B 69 ASN : amide:sc= 0.0152 K(o=0.015,f=-6.6!) USER MOD Single : B 71 GLN : amide:sc= -0.334 K(o=-0.33,f=-2.1!) USER MOD Single : B 73 TYR OH : rot 156:sc= 1.05 USER MOD Single : B 82 MET CE :methyl -171:sc= 0 (180deg=-0.119) USER MOD Single : B 84 TYR OH : rot 180:sc= 0 USER MOD Single : B 85 ASN : amide:sc= 0.714 K(o=0.71,f=-0.13) USER MOD ----------------------------------------------------------------- ATOM 20 N ALA A 2 -6.340 -7.469 -8.911 1.00 0.00 N ATOM 21 CA ALA A 2 -6.246 -6.196 -8.206 1.00 0.00 C ATOM 22 C ALA A 2 -7.299 -6.149 -7.099 1.00 0.00 C ATOM 23 O ALA A 2 -8.290 -5.429 -7.196 1.00 0.00 O ATOM 24 CB ALA A 2 -6.380 -5.017 -9.173 1.00 0.00 C ATOM 0 HA ALA A 2 -5.261 -6.112 -7.748 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -6.306 -4.081 -8.619 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -5.583 -5.063 -9.915 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -7.346 -5.066 -9.675 1.00 0.00 H new ATOM 30 N SER A 3 -7.086 -6.942 -6.048 1.00 0.00 N ATOM 31 CA SER A 3 -7.939 -6.989 -4.876 1.00 0.00 C ATOM 32 C SER A 3 -8.090 -5.596 -4.236 1.00 0.00 C ATOM 33 O SER A 3 -7.266 -4.716 -4.498 1.00 0.00 O ATOM 34 CB SER A 3 -7.284 -7.960 -3.892 1.00 0.00 C ATOM 35 OG SER A 3 -6.697 -9.054 -4.571 1.00 0.00 O ATOM 0 H SER A 3 -6.294 -7.582 -5.994 1.00 0.00 H new ATOM 0 HA SER A 3 -8.941 -7.319 -5.150 1.00 0.00 H new ATOM 0 HB2 SER A 3 -6.523 -7.437 -3.312 1.00 0.00 H new ATOM 0 HB3 SER A 3 -8.029 -8.324 -3.185 1.00 0.00 H new ATOM 0 HG SER A 3 -6.426 -9.735 -3.921 1.00 0.00 H new ATOM 41 N PRO A 4 -9.086 -5.383 -3.356 1.00 0.00 N ATOM 42 CA PRO A 4 -9.298 -4.107 -2.681 1.00 0.00 C ATOM 43 C PRO A 4 -8.009 -3.519 -2.105 1.00 0.00 C ATOM 44 O PRO A 4 -7.696 -2.355 -2.350 1.00 0.00 O ATOM 45 CB PRO A 4 -10.347 -4.378 -1.599 1.00 0.00 C ATOM 46 CG PRO A 4 -11.163 -5.516 -2.207 1.00 0.00 C ATOM 47 CD PRO A 4 -10.103 -6.339 -2.942 1.00 0.00 C ATOM 0 HA PRO A 4 -9.642 -3.350 -3.386 1.00 0.00 H new ATOM 0 HB2 PRO A 4 -9.889 -4.667 -0.653 1.00 0.00 H new ATOM 0 HB3 PRO A 4 -10.961 -3.500 -1.400 1.00 0.00 H new ATOM 0 HG2 PRO A 4 -11.672 -6.103 -1.442 1.00 0.00 H new ATOM 0 HG3 PRO A 4 -11.930 -5.145 -2.887 1.00 0.00 H new ATOM 0 HD2 PRO A 4 -9.680 -7.105 -2.292 1.00 0.00 H new ATOM 0 HD3 PRO A 4 -10.532 -6.853 -3.802 1.00 0.00 H new ATOM 55 N LEU A 5 -7.236 -4.327 -1.368 1.00 0.00 N ATOM 56 CA LEU A 5 -5.948 -3.881 -0.853 1.00 0.00 C ATOM 57 C LEU A 5 -5.013 -3.451 -1.979 1.00 0.00 C ATOM 58 O LEU A 5 -4.379 -2.410 -1.864 1.00 0.00 O ATOM 59 CB LEU A 5 -5.262 -4.973 -0.023 1.00 0.00 C ATOM 60 CG LEU A 5 -5.382 -4.827 1.496 1.00 0.00 C ATOM 61 CD1 LEU A 5 -4.486 -5.894 2.141 1.00 0.00 C ATOM 62 CD2 LEU A 5 -4.934 -3.451 2.013 1.00 0.00 C ATOM 0 H LEU A 5 -7.483 -5.285 -1.120 1.00 0.00 H new ATOM 0 HA LEU A 5 -6.153 -3.024 -0.212 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -5.679 -5.938 -0.311 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -4.204 -4.992 -0.285 1.00 0.00 H new ATOM 0 HG LEU A 5 -6.434 -4.943 1.756 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -4.550 -5.815 3.226 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -4.817 -6.884 1.829 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -3.454 -5.741 1.827 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -5.045 -3.416 3.097 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -3.889 -3.286 1.750 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -5.550 -2.674 1.560 1.00 0.00 H new ATOM 74 N ASP A 6 -4.900 -4.244 -3.049 1.00 0.00 N ATOM 75 CA ASP A 6 -4.012 -3.913 -4.156 1.00 0.00 C ATOM 76 C ASP A 6 -4.383 -2.540 -4.711 1.00 0.00 C ATOM 77 O ASP A 6 -3.524 -1.682 -4.885 1.00 0.00 O ATOM 78 CB ASP A 6 -4.079 -4.975 -5.257 1.00 0.00 C ATOM 79 CG ASP A 6 -3.112 -4.647 -6.388 1.00 0.00 C ATOM 80 OD1 ASP A 6 -1.926 -5.015 -6.247 1.00 0.00 O ATOM 81 OD2 ASP A 6 -3.579 -4.035 -7.373 1.00 0.00 O ATOM 0 H ASP A 6 -5.414 -5.117 -3.167 1.00 0.00 H new ATOM 0 HA ASP A 6 -2.987 -3.889 -3.787 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -3.839 -5.953 -4.840 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -5.095 -5.036 -5.648 1.00 0.00 H new ATOM 86 N GLN A 7 -5.677 -2.328 -4.957 1.00 0.00 N ATOM 87 CA GLN A 7 -6.170 -1.061 -5.469 1.00 0.00 C ATOM 88 C GLN A 7 -5.907 0.081 -4.477 1.00 0.00 C ATOM 89 O GLN A 7 -5.490 1.164 -4.884 1.00 0.00 O ATOM 90 CB GLN A 7 -7.656 -1.203 -5.826 1.00 0.00 C ATOM 91 CG GLN A 7 -8.293 0.080 -6.383 1.00 0.00 C ATOM 92 CD GLN A 7 -7.602 0.613 -7.638 1.00 0.00 C ATOM 93 OE1 GLN A 7 -8.036 0.343 -8.751 1.00 0.00 O ATOM 94 NE2 GLN A 7 -6.532 1.385 -7.476 1.00 0.00 N ATOM 0 H GLN A 7 -6.403 -3.028 -4.806 1.00 0.00 H new ATOM 0 HA GLN A 7 -5.627 -0.799 -6.377 1.00 0.00 H new ATOM 0 HB2 GLN A 7 -7.767 -2.000 -6.561 1.00 0.00 H new ATOM 0 HB3 GLN A 7 -8.205 -1.511 -4.936 1.00 0.00 H new ATOM 0 HG2 GLN A 7 -9.341 -0.114 -6.611 1.00 0.00 H new ATOM 0 HG3 GLN A 7 -8.272 0.850 -5.612 1.00 0.00 H new ATOM 0 HE21 GLN A 7 -6.191 1.594 -6.538 1.00 0.00 H new ATOM 0 HE22 GLN A 7 -6.052 1.768 -8.290 1.00 0.00 H new ATOM 103 N ALA A 8 -6.167 -0.134 -3.187 1.00 0.00 N ATOM 104 CA ALA A 8 -5.994 0.886 -2.158 1.00 0.00 C ATOM 105 C ALA A 8 -4.516 1.271 -1.996 1.00 0.00 C ATOM 106 O ALA A 8 -4.161 2.450 -1.960 1.00 0.00 O ATOM 107 CB ALA A 8 -6.597 0.376 -0.850 1.00 0.00 C ATOM 0 H ALA A 8 -6.505 -1.026 -2.827 1.00 0.00 H new ATOM 0 HA ALA A 8 -6.516 1.795 -2.456 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -6.473 1.131 -0.074 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -7.658 0.174 -0.993 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -6.090 -0.541 -0.549 1.00 0.00 H new ATOM 113 N ILE A 9 -3.638 0.270 -1.930 1.00 0.00 N ATOM 114 CA ILE A 9 -2.196 0.459 -1.977 1.00 0.00 C ATOM 115 C ILE A 9 -1.859 1.255 -3.242 1.00 0.00 C ATOM 116 O ILE A 9 -1.185 2.279 -3.167 1.00 0.00 O ATOM 117 CB ILE A 9 -1.492 -0.913 -1.914 1.00 0.00 C ATOM 118 CG1 ILE A 9 -1.642 -1.508 -0.501 1.00 0.00 C ATOM 119 CG2 ILE A 9 -0.009 -0.798 -2.290 1.00 0.00 C ATOM 120 CD1 ILE A 9 -1.285 -2.997 -0.448 1.00 0.00 C ATOM 0 H ILE A 9 -3.917 -0.707 -1.841 1.00 0.00 H new ATOM 0 HA ILE A 9 -1.837 1.028 -1.119 1.00 0.00 H new ATOM 0 HB ILE A 9 -1.966 -1.576 -2.638 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -1.002 -0.960 0.190 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -2.668 -1.372 -0.160 1.00 0.00 H new ATOM 0 HG21 ILE A 9 0.457 -1.782 -2.236 1.00 0.00 H new ATOM 0 HG22 ILE A 9 0.080 -0.410 -3.305 1.00 0.00 H new ATOM 0 HG23 ILE A 9 0.491 -0.121 -1.597 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -1.408 -3.365 0.571 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -1.943 -3.553 -1.116 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -0.250 -3.134 -0.760 1.00 0.00 H new ATOM 132 N GLY A 10 -2.369 0.804 -4.391 1.00 0.00 N ATOM 133 CA GLY A 10 -2.264 1.491 -5.668 1.00 0.00 C ATOM 134 C GLY A 10 -2.601 2.975 -5.541 1.00 0.00 C ATOM 135 O GLY A 10 -1.840 3.818 -6.005 1.00 0.00 O ATOM 0 H GLY A 10 -2.881 -0.076 -4.453 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -1.253 1.380 -6.059 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -2.937 1.025 -6.388 1.00 0.00 H new ATOM 139 N LEU A 11 -3.723 3.305 -4.898 1.00 0.00 N ATOM 140 CA LEU A 11 -4.103 4.680 -4.603 1.00 0.00 C ATOM 141 C LEU A 11 -2.995 5.400 -3.824 1.00 0.00 C ATOM 142 O LEU A 11 -2.532 6.449 -4.265 1.00 0.00 O ATOM 143 CB LEU A 11 -5.457 4.720 -3.871 1.00 0.00 C ATOM 144 CG LEU A 11 -6.641 4.836 -4.842 1.00 0.00 C ATOM 145 CD1 LEU A 11 -7.908 4.220 -4.238 1.00 0.00 C ATOM 146 CD2 LEU A 11 -6.918 6.312 -5.146 1.00 0.00 C ATOM 0 H LEU A 11 -4.397 2.615 -4.566 1.00 0.00 H new ATOM 0 HA LEU A 11 -4.228 5.219 -5.542 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -5.570 3.817 -3.270 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -5.470 5.565 -3.182 1.00 0.00 H new ATOM 0 HG LEU A 11 -6.380 4.300 -5.755 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -8.732 4.315 -4.945 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -7.733 3.166 -4.024 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -8.161 4.741 -3.314 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -7.759 6.390 -5.835 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -7.158 6.835 -4.220 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -6.035 6.762 -5.599 1.00 0.00 H new ATOM 158 N LEU A 12 -2.553 4.865 -2.682 1.00 0.00 N ATOM 159 CA LEU A 12 -1.525 5.527 -1.869 1.00 0.00 C ATOM 160 C LEU A 12 -0.222 5.740 -2.657 1.00 0.00 C ATOM 161 O LEU A 12 0.365 6.826 -2.601 1.00 0.00 O ATOM 162 CB LEU A 12 -1.284 4.772 -0.549 1.00 0.00 C ATOM 163 CG LEU A 12 -2.198 5.266 0.589 1.00 0.00 C ATOM 164 CD1 LEU A 12 -3.680 5.067 0.278 1.00 0.00 C ATOM 165 CD2 LEU A 12 -1.877 4.520 1.886 1.00 0.00 C ATOM 0 H LEU A 12 -2.888 3.980 -2.300 1.00 0.00 H new ATOM 0 HA LEU A 12 -1.900 6.518 -1.611 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -1.451 3.707 -0.708 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -0.242 4.891 -0.251 1.00 0.00 H new ATOM 0 HG LEU A 12 -2.007 6.334 0.697 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -4.279 5.432 1.112 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -3.940 5.620 -0.625 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -3.880 4.007 0.124 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -2.529 4.878 2.683 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -2.035 3.451 1.740 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -0.837 4.699 2.161 1.00 0.00 H new ATOM 177 N ILE A 13 0.238 4.720 -3.386 1.00 0.00 N ATOM 178 CA ILE A 13 1.407 4.832 -4.260 1.00 0.00 C ATOM 179 C ILE A 13 1.176 5.912 -5.324 1.00 0.00 C ATOM 180 O ILE A 13 2.018 6.785 -5.523 1.00 0.00 O ATOM 181 CB ILE A 13 1.740 3.479 -4.919 1.00 0.00 C ATOM 182 CG1 ILE A 13 2.097 2.429 -3.854 1.00 0.00 C ATOM 183 CG2 ILE A 13 2.909 3.627 -5.913 1.00 0.00 C ATOM 184 CD1 ILE A 13 2.294 1.048 -4.482 1.00 0.00 C ATOM 0 H ILE A 13 -0.190 3.794 -3.387 1.00 0.00 H new ATOM 0 HA ILE A 13 2.261 5.123 -3.649 1.00 0.00 H new ATOM 0 HB ILE A 13 0.855 3.147 -5.462 1.00 0.00 H new ATOM 0 HG12 ILE A 13 3.008 2.729 -3.335 1.00 0.00 H new ATOM 0 HG13 ILE A 13 1.305 2.382 -3.106 1.00 0.00 H new ATOM 0 HG21 ILE A 13 3.126 2.660 -6.366 1.00 0.00 H new ATOM 0 HG22 ILE A 13 2.636 4.339 -6.692 1.00 0.00 H new ATOM 0 HG23 ILE A 13 3.792 3.987 -5.385 1.00 0.00 H new ATOM 0 HD11 ILE A 13 2.545 0.327 -3.704 1.00 0.00 H new ATOM 0 HD12 ILE A 13 1.374 0.740 -4.979 1.00 0.00 H new ATOM 0 HD13 ILE A 13 3.103 1.092 -5.211 1.00 0.00 H new ATOM 196 N GLY A 14 0.045 5.839 -6.025 1.00 0.00 N ATOM 197 CA GLY A 14 -0.315 6.776 -7.074 1.00 0.00 C ATOM 198 C GLY A 14 -0.241 8.200 -6.540 1.00 0.00 C ATOM 199 O GLY A 14 0.473 9.034 -7.089 1.00 0.00 O ATOM 0 H GLY A 14 -0.655 5.113 -5.873 1.00 0.00 H new ATOM 0 HA2 GLY A 14 0.358 6.661 -7.924 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -1.322 6.564 -7.434 1.00 0.00 H new ATOM 203 N ILE A 15 -0.942 8.457 -5.435 1.00 0.00 N ATOM 204 CA ILE A 15 -0.908 9.724 -4.726 1.00 0.00 C ATOM 205 C ILE A 15 0.540 10.140 -4.461 1.00 0.00 C ATOM 206 O ILE A 15 0.920 11.261 -4.790 1.00 0.00 O ATOM 207 CB ILE A 15 -1.731 9.616 -3.429 1.00 0.00 C ATOM 208 CG1 ILE A 15 -3.242 9.505 -3.719 1.00 0.00 C ATOM 209 CG2 ILE A 15 -1.428 10.797 -2.502 1.00 0.00 C ATOM 210 CD1 ILE A 15 -3.943 10.838 -4.000 1.00 0.00 C ATOM 0 H ILE A 15 -1.561 7.771 -5.003 1.00 0.00 H new ATOM 0 HA ILE A 15 -1.360 10.504 -5.339 1.00 0.00 H new ATOM 0 HB ILE A 15 -1.436 8.698 -2.922 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -3.386 8.848 -4.576 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -3.727 9.028 -2.867 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -2.018 10.705 -1.590 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -0.368 10.798 -2.249 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -1.682 11.730 -3.006 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -5.001 10.659 -4.192 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -3.837 11.494 -3.136 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -3.490 11.310 -4.872 1.00 0.00 H new ATOM 222 N PHE A 16 1.353 9.251 -3.877 1.00 0.00 N ATOM 223 CA PHE A 16 2.757 9.548 -3.616 1.00 0.00 C ATOM 224 C PHE A 16 3.444 10.056 -4.884 1.00 0.00 C ATOM 225 O PHE A 16 4.020 11.148 -4.895 1.00 0.00 O ATOM 226 CB PHE A 16 3.476 8.308 -3.065 1.00 0.00 C ATOM 227 CG PHE A 16 4.921 8.532 -2.662 1.00 0.00 C ATOM 228 CD1 PHE A 16 5.223 9.358 -1.565 1.00 0.00 C ATOM 229 CD2 PHE A 16 5.961 7.871 -3.342 1.00 0.00 C ATOM 230 CE1 PHE A 16 6.551 9.493 -1.128 1.00 0.00 C ATOM 231 CE2 PHE A 16 7.297 8.059 -2.945 1.00 0.00 C ATOM 232 CZ PHE A 16 7.592 8.866 -1.833 1.00 0.00 C ATOM 0 H PHE A 16 1.058 8.322 -3.578 1.00 0.00 H new ATOM 0 HA PHE A 16 2.809 10.335 -2.863 1.00 0.00 H new ATOM 0 HB2 PHE A 16 2.925 7.942 -2.198 1.00 0.00 H new ATOM 0 HB3 PHE A 16 3.442 7.522 -3.819 1.00 0.00 H new ATOM 0 HD1 PHE A 16 4.432 9.890 -1.057 1.00 0.00 H new ATOM 0 HD2 PHE A 16 5.732 7.218 -4.171 1.00 0.00 H new ATOM 0 HE1 PHE A 16 6.772 10.080 -0.249 1.00 0.00 H new ATOM 0 HE2 PHE A 16 8.096 7.583 -3.494 1.00 0.00 H new ATOM 0 HZ PHE A 16 8.617 9.004 -1.521 1.00 0.00 H new ATOM 242 N HIS A 17 3.407 9.259 -5.953 1.00 0.00 N ATOM 243 CA HIS A 17 4.116 9.573 -7.186 1.00 0.00 C ATOM 244 C HIS A 17 3.515 10.748 -7.952 1.00 0.00 C ATOM 245 O HIS A 17 4.231 11.418 -8.698 1.00 0.00 O ATOM 246 CB HIS A 17 4.334 8.318 -8.029 1.00 0.00 C ATOM 247 CG HIS A 17 5.439 7.430 -7.500 1.00 0.00 C ATOM 248 ND1 HIS A 17 6.531 7.821 -6.744 1.00 0.00 N ATOM 249 CD2 HIS A 17 5.630 6.119 -7.847 1.00 0.00 C ATOM 250 CE1 HIS A 17 7.356 6.763 -6.659 1.00 0.00 C ATOM 251 NE2 HIS A 17 6.846 5.701 -7.303 1.00 0.00 N ATOM 0 H HIS A 17 2.886 8.383 -5.985 1.00 0.00 H new ATOM 0 HA HIS A 17 5.107 9.932 -6.908 1.00 0.00 H new ATOM 0 HB2 HIS A 17 3.406 7.748 -8.068 1.00 0.00 H new ATOM 0 HB3 HIS A 17 4.571 8.612 -9.052 1.00 0.00 H new ATOM 0 HD1 HIS A 17 6.681 8.740 -6.329 1.00 0.00 H new ATOM 0 HD2 HIS A 17 4.958 5.514 -8.438 1.00 0.00 H new ATOM 0 HE1 HIS A 17 8.304 6.767 -6.141 1.00 0.00 H new ATOM 259 N LYS A 18 2.240 11.062 -7.710 1.00 0.00 N ATOM 260 CA LYS A 18 1.622 12.281 -8.206 1.00 0.00 C ATOM 261 C LYS A 18 2.374 13.528 -7.717 1.00 0.00 C ATOM 262 O LYS A 18 2.217 14.591 -8.313 1.00 0.00 O ATOM 263 CB LYS A 18 0.135 12.313 -7.816 1.00 0.00 C ATOM 264 CG LYS A 18 -0.686 13.197 -8.764 1.00 0.00 C ATOM 265 CD LYS A 18 -2.192 13.097 -8.471 1.00 0.00 C ATOM 266 CE LYS A 18 -2.607 13.766 -7.155 1.00 0.00 C ATOM 267 NZ LYS A 18 -2.319 15.211 -7.161 1.00 0.00 N ATOM 0 H LYS A 18 1.611 10.473 -7.163 1.00 0.00 H new ATOM 0 HA LYS A 18 1.685 12.288 -9.294 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -0.265 11.299 -7.827 1.00 0.00 H new ATOM 0 HB3 LYS A 18 0.035 12.684 -6.796 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -0.364 14.234 -8.666 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -0.495 12.900 -9.795 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -2.744 13.555 -9.292 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -2.479 12.046 -8.441 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -3.672 13.608 -6.987 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -2.081 13.294 -6.325 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -2.777 15.660 -6.342 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -1.291 15.360 -7.108 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -2.685 15.634 -8.037 1.00 0.00 H new ATOM 281 N TYR A 19 3.192 13.408 -6.660 1.00 0.00 N ATOM 282 CA TYR A 19 4.092 14.462 -6.209 1.00 0.00 C ATOM 283 C TYR A 19 5.553 14.011 -6.351 1.00 0.00 C ATOM 284 O TYR A 19 6.273 14.548 -7.191 1.00 0.00 O ATOM 285 CB TYR A 19 3.703 14.887 -4.787 1.00 0.00 C ATOM 286 CG TYR A 19 2.346 15.573 -4.731 1.00 0.00 C ATOM 287 CD1 TYR A 19 1.176 14.804 -4.611 1.00 0.00 C ATOM 288 CD2 TYR A 19 2.239 16.960 -4.954 1.00 0.00 C ATOM 289 CE1 TYR A 19 -0.087 15.421 -4.625 1.00 0.00 C ATOM 290 CE2 TYR A 19 0.974 17.568 -5.028 1.00 0.00 C ATOM 291 CZ TYR A 19 -0.188 16.807 -4.824 1.00 0.00 C ATOM 292 OH TYR A 19 -1.405 17.420 -4.863 1.00 0.00 O ATOM 0 H TYR A 19 3.242 12.562 -6.092 1.00 0.00 H new ATOM 0 HA TYR A 19 3.996 15.348 -6.837 1.00 0.00 H new ATOM 0 HB2 TYR A 19 3.689 14.009 -4.141 1.00 0.00 H new ATOM 0 HB3 TYR A 19 4.463 15.561 -4.393 1.00 0.00 H new ATOM 0 HD1 TYR A 19 1.248 13.731 -4.507 1.00 0.00 H new ATOM 0 HD2 TYR A 19 3.131 17.558 -5.068 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -0.979 14.829 -4.483 1.00 0.00 H new ATOM 0 HE2 TYR A 19 0.896 18.624 -5.242 1.00 0.00 H new ATOM 0 HH TYR A 19 -2.111 16.755 -4.721 1.00 0.00 H new ATOM 302 N SER A 20 5.993 13.022 -5.561 1.00 0.00 N ATOM 303 CA SER A 20 7.395 12.588 -5.510 1.00 0.00 C ATOM 304 C SER A 20 7.938 12.310 -6.912 1.00 0.00 C ATOM 305 O SER A 20 8.837 12.989 -7.403 1.00 0.00 O ATOM 306 CB SER A 20 7.523 11.319 -4.654 1.00 0.00 C ATOM 307 OG SER A 20 6.617 10.318 -5.084 1.00 0.00 O ATOM 0 H SER A 20 5.382 12.497 -4.935 1.00 0.00 H new ATOM 0 HA SER A 20 7.979 13.393 -5.064 1.00 0.00 H new ATOM 0 HB2 SER A 20 8.543 10.939 -4.712 1.00 0.00 H new ATOM 0 HB3 SER A 20 7.332 11.561 -3.609 1.00 0.00 H new ATOM 0 HG SER A 20 6.627 9.573 -4.448 1.00 0.00 H new ATOM 415 N THR A 28 11.286 9.769 -2.897 1.00 0.00 N ATOM 416 CA THR A 28 11.285 10.630 -1.731 1.00 0.00 C ATOM 417 C THR A 28 10.434 11.870 -2.010 1.00 0.00 C ATOM 418 O THR A 28 9.966 12.077 -3.127 1.00 0.00 O ATOM 419 CB THR A 28 12.750 11.016 -1.429 1.00 0.00 C ATOM 420 OG1 THR A 28 13.475 11.171 -2.634 1.00 0.00 O ATOM 421 CG2 THR A 28 13.483 9.944 -0.619 1.00 0.00 C ATOM 0 HA THR A 28 10.857 10.121 -0.868 1.00 0.00 H new ATOM 0 HB THR A 28 12.703 11.943 -0.858 1.00 0.00 H new ATOM 0 HG1 THR A 28 13.049 10.644 -3.342 1.00 0.00 H new ATOM 0 HG21 THR A 28 14.508 10.265 -0.434 1.00 0.00 H new ATOM 0 HG22 THR A 28 12.973 9.794 0.332 1.00 0.00 H new ATOM 0 HG23 THR A 28 13.491 9.008 -1.178 1.00 0.00 H new ATOM 429 N LEU A 29 10.223 12.694 -0.988 1.00 0.00 N ATOM 430 CA LEU A 29 9.634 14.019 -1.109 1.00 0.00 C ATOM 431 C LEU A 29 10.027 14.785 0.153 1.00 0.00 C ATOM 432 O LEU A 29 10.809 14.253 0.938 1.00 0.00 O ATOM 433 CB LEU A 29 8.122 13.930 -1.393 1.00 0.00 C ATOM 434 CG LEU A 29 7.287 13.075 -0.423 1.00 0.00 C ATOM 435 CD1 LEU A 29 7.045 13.737 0.935 1.00 0.00 C ATOM 436 CD2 LEU A 29 5.908 12.818 -1.042 1.00 0.00 C ATOM 0 H LEU A 29 10.464 12.450 -0.028 1.00 0.00 H new ATOM 0 HA LEU A 29 10.012 14.573 -1.968 1.00 0.00 H new ATOM 0 HB2 LEU A 29 7.715 14.941 -1.392 1.00 0.00 H new ATOM 0 HB3 LEU A 29 7.987 13.533 -2.399 1.00 0.00 H new ATOM 0 HG LEU A 29 7.860 12.162 -0.260 1.00 0.00 H new ATOM 0 HD11 LEU A 29 6.450 13.073 1.562 1.00 0.00 H new ATOM 0 HD12 LEU A 29 8.001 13.933 1.420 1.00 0.00 H new ATOM 0 HD13 LEU A 29 6.511 14.676 0.792 1.00 0.00 H new ATOM 0 HD21 LEU A 29 5.310 12.213 -0.360 1.00 0.00 H new ATOM 0 HD22 LEU A 29 5.405 13.769 -1.218 1.00 0.00 H new ATOM 0 HD23 LEU A 29 6.027 12.289 -1.988 1.00 0.00 H new ATOM 448 N SER A 30 9.520 16.000 0.374 1.00 0.00 N ATOM 449 CA SER A 30 9.858 16.791 1.552 1.00 0.00 C ATOM 450 C SER A 30 8.623 17.330 2.270 1.00 0.00 C ATOM 451 O SER A 30 7.504 17.243 1.762 1.00 0.00 O ATOM 452 CB SER A 30 10.790 17.938 1.136 1.00 0.00 C ATOM 453 OG SER A 30 10.084 18.896 0.372 1.00 0.00 O ATOM 0 H SER A 30 8.865 16.459 -0.259 1.00 0.00 H new ATOM 0 HA SER A 30 10.365 16.139 2.263 1.00 0.00 H new ATOM 0 HB2 SER A 30 11.213 18.411 2.022 1.00 0.00 H new ATOM 0 HB3 SER A 30 11.625 17.544 0.556 1.00 0.00 H new ATOM 0 HG SER A 30 9.694 18.463 -0.416 1.00 0.00 H new ATOM 459 N LYS A 31 8.866 17.935 3.438 1.00 0.00 N ATOM 460 CA LYS A 31 7.911 18.719 4.216 1.00 0.00 C ATOM 461 C LYS A 31 6.878 19.458 3.353 1.00 0.00 C ATOM 462 O LYS A 31 5.671 19.359 3.588 1.00 0.00 O ATOM 463 CB LYS A 31 8.675 19.705 5.118 1.00 0.00 C ATOM 464 CG LYS A 31 9.842 20.452 4.447 1.00 0.00 C ATOM 465 CD LYS A 31 10.585 21.366 5.431 1.00 0.00 C ATOM 466 CE LYS A 31 9.713 22.471 6.038 1.00 0.00 C ATOM 467 NZ LYS A 31 9.077 23.308 5.006 1.00 0.00 N ATOM 0 H LYS A 31 9.781 17.886 3.885 1.00 0.00 H new ATOM 0 HA LYS A 31 7.339 18.019 4.825 1.00 0.00 H new ATOM 0 HB2 LYS A 31 7.968 20.441 5.502 1.00 0.00 H new ATOM 0 HB3 LYS A 31 9.063 19.158 5.977 1.00 0.00 H new ATOM 0 HG2 LYS A 31 10.541 19.729 4.027 1.00 0.00 H new ATOM 0 HG3 LYS A 31 9.461 21.047 3.617 1.00 0.00 H new ATOM 0 HD2 LYS A 31 10.995 20.757 6.237 1.00 0.00 H new ATOM 0 HD3 LYS A 31 11.429 21.825 4.917 1.00 0.00 H new ATOM 0 HE2 LYS A 31 8.942 22.021 6.664 1.00 0.00 H new ATOM 0 HE3 LYS A 31 10.324 23.099 6.687 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 8.581 24.101 5.460 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 9.805 23.678 4.362 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 8.396 22.736 4.467 1.00 0.00 H new ATOM 481 N LYS A 32 7.346 20.202 2.347 1.00 0.00 N ATOM 482 CA LYS A 32 6.490 20.998 1.490 1.00 0.00 C ATOM 483 C LYS A 32 5.503 20.083 0.769 1.00 0.00 C ATOM 484 O LYS A 32 4.302 20.353 0.743 1.00 0.00 O ATOM 485 CB LYS A 32 7.382 21.769 0.511 1.00 0.00 C ATOM 486 CG LYS A 32 6.625 22.831 -0.306 1.00 0.00 C ATOM 487 CD LYS A 32 6.786 22.605 -1.816 1.00 0.00 C ATOM 488 CE LYS A 32 5.719 21.651 -2.364 1.00 0.00 C ATOM 489 NZ LYS A 32 5.943 21.332 -3.784 1.00 0.00 N ATOM 0 H LYS A 32 8.336 20.263 2.110 1.00 0.00 H new ATOM 0 HA LYS A 32 5.906 21.715 2.067 1.00 0.00 H new ATOM 0 HB2 LYS A 32 8.184 22.254 1.068 1.00 0.00 H new ATOM 0 HB3 LYS A 32 7.852 21.063 -0.173 1.00 0.00 H new ATOM 0 HG2 LYS A 32 5.567 22.806 -0.045 1.00 0.00 H new ATOM 0 HG3 LYS A 32 6.994 23.823 -0.045 1.00 0.00 H new ATOM 0 HD2 LYS A 32 6.721 23.561 -2.336 1.00 0.00 H new ATOM 0 HD3 LYS A 32 7.777 22.198 -2.019 1.00 0.00 H new ATOM 0 HE2 LYS A 32 5.721 20.730 -1.781 1.00 0.00 H new ATOM 0 HE3 LYS A 32 4.734 22.101 -2.244 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 5.131 20.797 -4.152 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 6.051 22.214 -4.325 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 6.806 20.760 -3.879 1.00 0.00 H new ATOM 503 N GLU A 33 6.009 18.989 0.196 1.00 0.00 N ATOM 504 CA GLU A 33 5.178 18.038 -0.515 1.00 0.00 C ATOM 505 C GLU A 33 4.227 17.335 0.446 1.00 0.00 C ATOM 506 O GLU A 33 3.108 17.047 0.050 1.00 0.00 O ATOM 507 CB GLU A 33 6.011 17.010 -1.279 1.00 0.00 C ATOM 508 CG GLU A 33 6.690 17.581 -2.532 1.00 0.00 C ATOM 509 CD GLU A 33 7.977 18.328 -2.217 1.00 0.00 C ATOM 510 OE1 GLU A 33 8.904 17.653 -1.722 1.00 0.00 O ATOM 511 OE2 GLU A 33 8.018 19.553 -2.456 1.00 0.00 O ATOM 0 H GLU A 33 6.999 18.746 0.216 1.00 0.00 H new ATOM 0 HA GLU A 33 4.596 18.600 -1.246 1.00 0.00 H new ATOM 0 HB2 GLU A 33 6.774 16.606 -0.614 1.00 0.00 H new ATOM 0 HB3 GLU A 33 5.369 16.178 -1.570 1.00 0.00 H new ATOM 0 HG2 GLU A 33 6.908 16.768 -3.224 1.00 0.00 H new ATOM 0 HG3 GLU A 33 5.999 18.255 -3.039 1.00 0.00 H new ATOM 518 N LEU A 34 4.630 17.048 1.687 1.00 0.00 N ATOM 519 CA LEU A 34 3.703 16.481 2.664 1.00 0.00 C ATOM 520 C LEU A 34 2.539 17.438 2.937 1.00 0.00 C ATOM 521 O LEU A 34 1.376 17.038 2.872 1.00 0.00 O ATOM 522 CB LEU A 34 4.417 16.137 3.974 1.00 0.00 C ATOM 523 CG LEU A 34 5.341 14.915 3.899 1.00 0.00 C ATOM 524 CD1 LEU A 34 6.053 14.806 5.246 1.00 0.00 C ATOM 525 CD2 LEU A 34 4.583 13.611 3.622 1.00 0.00 C ATOM 0 H LEU A 34 5.578 17.197 2.033 1.00 0.00 H new ATOM 0 HA LEU A 34 3.305 15.560 2.237 1.00 0.00 H new ATOM 0 HB2 LEU A 34 5.003 17.000 4.290 1.00 0.00 H new ATOM 0 HB3 LEU A 34 3.667 15.962 4.745 1.00 0.00 H new ATOM 0 HG LEU A 34 6.037 15.053 3.071 1.00 0.00 H new ATOM 0 HD11 LEU A 34 6.723 13.946 5.235 1.00 0.00 H new ATOM 0 HD12 LEU A 34 6.630 15.713 5.427 1.00 0.00 H new ATOM 0 HD13 LEU A 34 5.315 14.681 6.039 1.00 0.00 H new ATOM 0 HD21 LEU A 34 5.289 12.782 3.580 1.00 0.00 H new ATOM 0 HD22 LEU A 34 3.861 13.433 4.419 1.00 0.00 H new ATOM 0 HD23 LEU A 34 4.059 13.690 2.669 1.00 0.00 H new ATOM 537 N LYS A 35 2.842 18.702 3.254 1.00 0.00 N ATOM 538 CA LYS A 35 1.807 19.695 3.523 1.00 0.00 C ATOM 539 C LYS A 35 0.904 19.870 2.292 1.00 0.00 C ATOM 540 O LYS A 35 -0.323 19.873 2.404 1.00 0.00 O ATOM 541 CB LYS A 35 2.437 21.010 4.002 1.00 0.00 C ATOM 542 CG LYS A 35 3.061 20.824 5.397 1.00 0.00 C ATOM 543 CD LYS A 35 3.869 22.045 5.859 1.00 0.00 C ATOM 544 CE LYS A 35 3.024 23.307 6.061 1.00 0.00 C ATOM 545 NZ LYS A 35 1.935 23.092 7.031 1.00 0.00 N ATOM 0 H LYS A 35 3.795 19.057 3.329 1.00 0.00 H new ATOM 0 HA LYS A 35 1.167 19.346 4.333 1.00 0.00 H new ATOM 0 HB2 LYS A 35 3.200 21.335 3.295 1.00 0.00 H new ATOM 0 HB3 LYS A 35 1.680 21.793 4.036 1.00 0.00 H new ATOM 0 HG2 LYS A 35 2.270 20.624 6.119 1.00 0.00 H new ATOM 0 HG3 LYS A 35 3.710 19.949 5.385 1.00 0.00 H new ATOM 0 HD2 LYS A 35 4.372 21.803 6.795 1.00 0.00 H new ATOM 0 HD3 LYS A 35 4.646 22.254 5.124 1.00 0.00 H new ATOM 0 HE2 LYS A 35 3.663 24.120 6.407 1.00 0.00 H new ATOM 0 HE3 LYS A 35 2.602 23.618 5.105 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 1.585 24.011 7.370 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 1.159 22.574 6.572 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 2.292 22.539 7.837 1.00 0.00 H new ATOM 559 N GLU A 36 1.513 19.973 1.108 1.00 0.00 N ATOM 560 CA GLU A 36 0.814 20.010 -0.170 1.00 0.00 C ATOM 561 C GLU A 36 -0.112 18.792 -0.313 1.00 0.00 C ATOM 562 O GLU A 36 -1.308 18.951 -0.544 1.00 0.00 O ATOM 563 CB GLU A 36 1.872 20.090 -1.280 1.00 0.00 C ATOM 564 CG GLU A 36 1.298 20.309 -2.680 1.00 0.00 C ATOM 565 CD GLU A 36 2.403 20.498 -3.718 1.00 0.00 C ATOM 566 OE1 GLU A 36 3.430 19.794 -3.601 1.00 0.00 O ATOM 567 OE2 GLU A 36 2.202 21.348 -4.611 1.00 0.00 O ATOM 0 H GLU A 36 2.527 20.034 1.014 1.00 0.00 H new ATOM 0 HA GLU A 36 0.167 20.885 -0.240 1.00 0.00 H new ATOM 0 HB2 GLU A 36 2.561 20.903 -1.051 1.00 0.00 H new ATOM 0 HB3 GLU A 36 2.454 19.168 -1.278 1.00 0.00 H new ATOM 0 HG2 GLU A 36 0.679 19.456 -2.958 1.00 0.00 H new ATOM 0 HG3 GLU A 36 0.649 21.185 -2.675 1.00 0.00 H new ATOM 574 N LEU A 37 0.440 17.586 -0.165 1.00 0.00 N ATOM 575 CA LEU A 37 -0.272 16.317 -0.242 1.00 0.00 C ATOM 576 C LEU A 37 -1.517 16.365 0.628 1.00 0.00 C ATOM 577 O LEU A 37 -2.620 16.205 0.114 1.00 0.00 O ATOM 578 CB LEU A 37 0.622 15.146 0.208 1.00 0.00 C ATOM 579 CG LEU A 37 1.372 14.465 -0.944 1.00 0.00 C ATOM 580 CD1 LEU A 37 2.575 13.690 -0.399 1.00 0.00 C ATOM 581 CD2 LEU A 37 0.440 13.473 -1.646 1.00 0.00 C ATOM 0 H LEU A 37 1.436 17.466 0.019 1.00 0.00 H new ATOM 0 HA LEU A 37 -0.555 16.156 -1.282 1.00 0.00 H new ATOM 0 HB2 LEU A 37 1.347 15.512 0.935 1.00 0.00 H new ATOM 0 HB3 LEU A 37 0.006 14.405 0.717 1.00 0.00 H new ATOM 0 HG LEU A 37 1.708 15.231 -1.643 1.00 0.00 H new ATOM 0 HD11 LEU A 37 3.102 13.209 -1.223 1.00 0.00 H new ATOM 0 HD12 LEU A 37 3.250 14.377 0.112 1.00 0.00 H new ATOM 0 HD13 LEU A 37 2.231 12.931 0.303 1.00 0.00 H new ATOM 0 HD21 LEU A 37 0.973 12.989 -2.464 1.00 0.00 H new ATOM 0 HD22 LEU A 37 0.108 12.718 -0.933 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -0.426 14.004 -2.041 1.00 0.00 H new ATOM 593 N ILE A 38 -1.355 16.563 1.939 1.00 0.00 N ATOM 594 CA ILE A 38 -2.510 16.538 2.824 1.00 0.00 C ATOM 595 C ILE A 38 -3.508 17.623 2.403 1.00 0.00 C ATOM 596 O ILE A 38 -4.682 17.327 2.202 1.00 0.00 O ATOM 597 CB ILE A 38 -2.092 16.553 4.310 1.00 0.00 C ATOM 598 CG1 ILE A 38 -3.282 16.236 5.227 1.00 0.00 C ATOM 599 CG2 ILE A 38 -1.436 17.864 4.741 1.00 0.00 C ATOM 600 CD1 ILE A 38 -2.849 15.974 6.671 1.00 0.00 C ATOM 0 H ILE A 38 -0.460 16.737 2.396 1.00 0.00 H new ATOM 0 HA ILE A 38 -3.042 15.592 2.721 1.00 0.00 H new ATOM 0 HB ILE A 38 -1.340 15.770 4.412 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -3.985 17.068 5.206 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -3.810 15.363 4.844 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -1.167 17.807 5.796 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -0.538 18.034 4.146 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -2.134 18.687 4.589 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -3.726 15.755 7.280 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -2.167 15.124 6.698 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -2.345 16.856 7.066 1.00 0.00 H new ATOM 612 N GLN A 39 -3.045 18.859 2.190 1.00 0.00 N ATOM 613 CA GLN A 39 -3.919 19.963 1.817 1.00 0.00 C ATOM 614 C GLN A 39 -4.754 19.646 0.564 1.00 0.00 C ATOM 615 O GLN A 39 -5.964 19.862 0.566 1.00 0.00 O ATOM 616 CB GLN A 39 -3.078 21.237 1.663 1.00 0.00 C ATOM 617 CG GLN A 39 -3.937 22.474 1.363 1.00 0.00 C ATOM 618 CD GLN A 39 -3.073 23.706 1.116 1.00 0.00 C ATOM 619 OE1 GLN A 39 -3.070 24.260 0.023 1.00 0.00 O ATOM 620 NE2 GLN A 39 -2.323 24.141 2.125 1.00 0.00 N ATOM 0 H GLN A 39 -2.061 19.116 2.272 1.00 0.00 H new ATOM 0 HA GLN A 39 -4.649 20.124 2.611 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -2.509 21.406 2.577 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -2.355 21.097 0.859 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -4.559 22.283 0.489 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -4.611 22.662 2.199 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -2.347 23.659 3.023 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -1.724 24.957 2.000 1.00 0.00 H new ATOM 629 N LYS A 40 -4.122 19.175 -0.516 1.00 0.00 N ATOM 630 CA LYS A 40 -4.822 18.911 -1.768 1.00 0.00 C ATOM 631 C LYS A 40 -5.641 17.621 -1.669 1.00 0.00 C ATOM 632 O LYS A 40 -6.825 17.598 -1.992 1.00 0.00 O ATOM 633 CB LYS A 40 -3.838 18.779 -2.948 1.00 0.00 C ATOM 634 CG LYS A 40 -3.444 20.076 -3.679 1.00 0.00 C ATOM 635 CD LYS A 40 -2.172 20.757 -3.161 1.00 0.00 C ATOM 636 CE LYS A 40 -2.435 21.774 -2.048 1.00 0.00 C ATOM 637 NZ LYS A 40 -3.134 22.976 -2.539 1.00 0.00 N ATOM 0 H LYS A 40 -3.123 18.970 -0.544 1.00 0.00 H new ATOM 0 HA LYS A 40 -5.484 19.759 -1.947 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -2.927 18.309 -2.578 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -4.275 18.098 -3.678 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -3.311 19.852 -4.737 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -4.271 20.782 -3.604 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -1.486 19.995 -2.791 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -1.674 21.259 -3.991 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -3.030 21.305 -1.264 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -1.487 22.067 -1.596 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -3.199 23.677 -1.773 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -2.606 23.383 -3.337 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -4.091 22.717 -2.853 1.00 0.00 H new ATOM 651 N GLU A 41 -4.981 16.525 -1.291 1.00 0.00 N ATOM 652 CA GLU A 41 -5.531 15.183 -1.400 1.00 0.00 C ATOM 653 C GLU A 41 -6.455 14.803 -0.244 1.00 0.00 C ATOM 654 O GLU A 41 -7.254 13.883 -0.408 1.00 0.00 O ATOM 655 CB GLU A 41 -4.393 14.165 -1.536 1.00 0.00 C ATOM 656 CG GLU A 41 -3.365 14.521 -2.620 1.00 0.00 C ATOM 657 CD GLU A 41 -3.982 14.769 -3.991 1.00 0.00 C ATOM 658 OE1 GLU A 41 -4.833 13.949 -4.398 1.00 0.00 O ATOM 659 OE2 GLU A 41 -3.563 15.765 -4.620 1.00 0.00 O ATOM 0 H GLU A 41 -4.040 16.550 -0.897 1.00 0.00 H new ATOM 0 HA GLU A 41 -6.153 15.171 -2.295 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -3.881 14.078 -0.578 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -4.819 13.187 -1.760 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -2.818 15.412 -2.311 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -2.639 13.712 -2.699 1.00 0.00 H new ATOM 666 N LEU A 42 -6.342 15.463 0.912 1.00 0.00 N ATOM 667 CA LEU A 42 -7.234 15.282 2.052 1.00 0.00 C ATOM 668 C LEU A 42 -7.935 16.612 2.311 1.00 0.00 C ATOM 669 O LEU A 42 -7.565 17.366 3.206 1.00 0.00 O ATOM 670 CB LEU A 42 -6.449 14.778 3.269 1.00 0.00 C ATOM 671 CG LEU A 42 -6.039 13.306 3.109 1.00 0.00 C ATOM 672 CD1 LEU A 42 -4.840 12.975 3.995 1.00 0.00 C ATOM 673 CD2 LEU A 42 -7.208 12.395 3.490 1.00 0.00 C ATOM 0 H LEU A 42 -5.610 16.153 1.081 1.00 0.00 H new ATOM 0 HA LEU A 42 -7.989 14.523 1.845 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -5.558 15.391 3.407 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -7.057 14.891 4.167 1.00 0.00 H new ATOM 0 HG LEU A 42 -5.765 13.143 2.067 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -4.569 11.927 3.864 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -3.996 13.606 3.716 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -5.098 13.155 5.039 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -6.910 11.353 3.374 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -7.490 12.579 4.527 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -8.058 12.604 2.841 1.00 0.00 H new ATOM 794 N ASP A 50 -8.363 16.591 15.739 1.00 0.00 N ATOM 795 CA ASP A 50 -7.067 17.262 15.821 1.00 0.00 C ATOM 796 C ASP A 50 -6.032 16.764 14.817 1.00 0.00 C ATOM 797 O ASP A 50 -5.307 17.578 14.251 1.00 0.00 O ATOM 798 CB ASP A 50 -6.480 17.126 17.230 1.00 0.00 C ATOM 799 CG ASP A 50 -7.407 17.662 18.317 1.00 0.00 C ATOM 800 OD1 ASP A 50 -8.497 17.068 18.470 1.00 0.00 O ATOM 801 OD2 ASP A 50 -7.014 18.654 18.967 1.00 0.00 O ATOM 0 HA ASP A 50 -7.275 18.304 15.576 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -6.266 16.076 17.428 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -5.530 17.659 17.275 1.00 0.00 H new ATOM 806 N ALA A 51 -5.937 15.444 14.628 1.00 0.00 N ATOM 807 CA ALA A 51 -4.966 14.771 13.774 1.00 0.00 C ATOM 808 C ALA A 51 -4.518 15.617 12.586 1.00 0.00 C ATOM 809 O ALA A 51 -3.339 15.926 12.457 1.00 0.00 O ATOM 810 CB ALA A 51 -5.580 13.469 13.265 1.00 0.00 C ATOM 0 H ALA A 51 -6.567 14.789 15.091 1.00 0.00 H new ATOM 0 HA ALA A 51 -4.078 14.584 14.377 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -4.864 12.955 12.624 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -5.833 12.831 14.112 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -6.482 13.691 12.695 1.00 0.00 H new ATOM 816 N GLU A 52 -5.458 15.991 11.716 1.00 0.00 N ATOM 817 CA GLU A 52 -5.135 16.675 10.474 1.00 0.00 C ATOM 818 C GLU A 52 -4.518 18.051 10.727 1.00 0.00 C ATOM 819 O GLU A 52 -3.597 18.459 10.021 1.00 0.00 O ATOM 820 CB GLU A 52 -6.395 16.754 9.602 1.00 0.00 C ATOM 821 CG GLU A 52 -6.101 17.397 8.240 1.00 0.00 C ATOM 822 CD GLU A 52 -7.018 16.839 7.159 1.00 0.00 C ATOM 823 OE1 GLU A 52 -8.170 17.320 7.086 1.00 0.00 O ATOM 824 OE2 GLU A 52 -6.555 15.917 6.456 1.00 0.00 O ATOM 0 H GLU A 52 -6.455 15.828 11.856 1.00 0.00 H new ATOM 0 HA GLU A 52 -4.376 16.104 9.939 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -6.798 15.752 9.453 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -7.161 17.332 10.120 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -6.231 18.477 8.309 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -5.061 17.218 7.967 1.00 0.00 H new ATOM 831 N ILE A 53 -5.018 18.757 11.743 1.00 0.00 N ATOM 832 CA ILE A 53 -4.479 20.045 12.142 1.00 0.00 C ATOM 833 C ILE A 53 -3.033 19.789 12.562 1.00 0.00 C ATOM 834 O ILE A 53 -2.100 20.391 12.036 1.00 0.00 O ATOM 835 CB ILE A 53 -5.284 20.660 13.310 1.00 0.00 C ATOM 836 CG1 ILE A 53 -6.775 20.916 13.027 1.00 0.00 C ATOM 837 CG2 ILE A 53 -4.644 21.995 13.723 1.00 0.00 C ATOM 838 CD1 ILE A 53 -7.620 19.683 12.691 1.00 0.00 C ATOM 0 H ILE A 53 -5.808 18.446 12.308 1.00 0.00 H new ATOM 0 HA ILE A 53 -4.539 20.759 11.321 1.00 0.00 H new ATOM 0 HB ILE A 53 -5.247 19.910 14.100 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -7.211 21.403 13.899 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -6.851 21.620 12.198 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -5.210 22.430 14.546 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -3.616 21.823 14.041 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -4.652 22.680 12.875 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -8.651 19.987 12.511 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -7.222 19.202 11.797 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -7.588 18.982 13.525 1.00 0.00 H new ATOM 850 N VAL A 54 -2.872 18.856 13.505 1.00 0.00 N ATOM 851 CA VAL A 54 -1.587 18.490 14.066 1.00 0.00 C ATOM 852 C VAL A 54 -0.598 18.175 12.948 1.00 0.00 C ATOM 853 O VAL A 54 0.496 18.726 12.971 1.00 0.00 O ATOM 854 CB VAL A 54 -1.743 17.349 15.088 1.00 0.00 C ATOM 855 CG1 VAL A 54 -0.384 16.815 15.560 1.00 0.00 C ATOM 856 CG2 VAL A 54 -2.520 17.853 16.310 1.00 0.00 C ATOM 0 H VAL A 54 -3.651 18.330 13.901 1.00 0.00 H new ATOM 0 HA VAL A 54 -1.175 19.333 14.620 1.00 0.00 H new ATOM 0 HB VAL A 54 -2.281 16.540 14.594 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -0.539 16.011 16.280 1.00 0.00 H new ATOM 0 HG12 VAL A 54 0.174 16.433 14.705 1.00 0.00 H new ATOM 0 HG13 VAL A 54 0.180 17.620 16.031 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -2.629 17.043 17.031 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -1.978 18.679 16.771 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -3.507 18.196 15.998 1.00 0.00 H new ATOM 866 N LYS A 55 -0.953 17.334 11.969 1.00 0.00 N ATOM 867 CA LYS A 55 -0.012 16.948 10.921 1.00 0.00 C ATOM 868 C LYS A 55 0.631 18.164 10.263 1.00 0.00 C ATOM 869 O LYS A 55 1.847 18.204 10.094 1.00 0.00 O ATOM 870 CB LYS A 55 -0.639 16.070 9.832 1.00 0.00 C ATOM 871 CG LYS A 55 -1.357 14.792 10.268 1.00 0.00 C ATOM 872 CD LYS A 55 -0.789 14.064 11.494 1.00 0.00 C ATOM 873 CE LYS A 55 0.653 13.558 11.358 1.00 0.00 C ATOM 874 NZ LYS A 55 0.918 12.946 10.047 1.00 0.00 N ATOM 0 H LYS A 55 -1.878 16.913 11.884 1.00 0.00 H new ATOM 0 HA LYS A 55 0.749 16.359 11.432 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -1.352 16.682 9.279 1.00 0.00 H new ATOM 0 HB3 LYS A 55 0.150 15.789 9.134 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -2.399 15.040 10.472 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -1.354 14.097 9.428 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -0.839 14.738 12.349 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -1.433 13.214 11.720 1.00 0.00 H new ATOM 0 HE2 LYS A 55 1.341 14.389 11.512 1.00 0.00 H new ATOM 0 HE3 LYS A 55 0.853 12.828 12.142 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 1.934 12.745 9.957 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 0.381 12.059 9.963 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 0.626 13.600 9.293 1.00 0.00 H new ATOM 888 N LEU A 56 -0.185 19.153 9.892 1.00 0.00 N ATOM 889 CA LEU A 56 0.295 20.349 9.216 1.00 0.00 C ATOM 890 C LEU A 56 1.367 21.074 10.045 1.00 0.00 C ATOM 891 O LEU A 56 2.303 21.625 9.468 1.00 0.00 O ATOM 892 CB LEU A 56 -0.894 21.261 8.875 1.00 0.00 C ATOM 893 CG LEU A 56 -1.744 20.738 7.705 1.00 0.00 C ATOM 894 CD1 LEU A 56 -3.131 21.390 7.748 1.00 0.00 C ATOM 895 CD2 LEU A 56 -1.085 21.057 6.357 1.00 0.00 C ATOM 0 H LEU A 56 -1.192 19.143 10.053 1.00 0.00 H new ATOM 0 HA LEU A 56 0.779 20.059 8.284 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -1.527 21.367 9.756 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -0.522 22.255 8.629 1.00 0.00 H new ATOM 0 HG LEU A 56 -1.830 19.656 7.805 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -3.733 21.019 6.919 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -3.620 21.143 8.690 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -3.027 22.472 7.666 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -1.708 20.675 5.548 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -0.975 22.136 6.252 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -0.103 20.586 6.312 1.00 0.00 H new ATOM 907 N MET A 57 1.247 21.077 11.380 1.00 0.00 N ATOM 908 CA MET A 57 2.251 21.664 12.260 1.00 0.00 C ATOM 909 C MET A 57 3.412 20.674 12.434 1.00 0.00 C ATOM 910 O MET A 57 4.548 20.953 12.052 1.00 0.00 O ATOM 911 CB MET A 57 1.633 22.020 13.624 1.00 0.00 C ATOM 912 CG MET A 57 0.797 23.313 13.667 1.00 0.00 C ATOM 913 SD MET A 57 -1.000 23.143 13.505 1.00 0.00 S ATOM 914 CE MET A 57 -1.244 23.403 11.736 1.00 0.00 C ATOM 0 H MET A 57 0.451 20.672 11.873 1.00 0.00 H new ATOM 0 HA MET A 57 2.628 22.584 11.813 1.00 0.00 H new ATOM 0 HB2 MET A 57 1.001 21.191 13.942 1.00 0.00 H new ATOM 0 HB3 MET A 57 2.438 22.106 14.354 1.00 0.00 H new ATOM 0 HG2 MET A 57 1.005 23.818 14.610 1.00 0.00 H new ATOM 0 HG3 MET A 57 1.148 23.969 12.870 1.00 0.00 H new ATOM 0 HE1 MET A 57 -2.115 22.839 11.402 1.00 0.00 H new ATOM 0 HE2 MET A 57 -1.403 24.464 11.543 1.00 0.00 H new ATOM 0 HE3 MET A 57 -0.362 23.064 11.193 1.00 0.00 H new ATOM 924 N ASP A 58 3.100 19.513 13.020 1.00 0.00 N ATOM 925 CA ASP A 58 3.995 18.402 13.323 1.00 0.00 C ATOM 926 C ASP A 58 4.987 18.149 12.196 1.00 0.00 C ATOM 927 O ASP A 58 6.158 17.896 12.467 1.00 0.00 O ATOM 928 CB ASP A 58 3.172 17.135 13.589 1.00 0.00 C ATOM 929 CG ASP A 58 4.052 15.899 13.754 1.00 0.00 C ATOM 930 OD1 ASP A 58 4.870 15.905 14.698 1.00 0.00 O ATOM 931 OD2 ASP A 58 3.889 14.966 12.934 1.00 0.00 O ATOM 0 H ASP A 58 2.144 19.316 13.315 1.00 0.00 H new ATOM 0 HA ASP A 58 4.567 18.666 14.212 1.00 0.00 H new ATOM 0 HB2 ASP A 58 2.573 17.275 14.489 1.00 0.00 H new ATOM 0 HB3 ASP A 58 2.476 16.976 12.765 1.00 0.00 H new ATOM 936 N ASP A 59 4.525 18.242 10.947 1.00 0.00 N ATOM 937 CA ASP A 59 5.340 18.122 9.750 1.00 0.00 C ATOM 938 C ASP A 59 6.707 18.788 9.918 1.00 0.00 C ATOM 939 O ASP A 59 7.720 18.169 9.601 1.00 0.00 O ATOM 940 CB ASP A 59 4.596 18.758 8.572 1.00 0.00 C ATOM 941 CG ASP A 59 5.425 18.667 7.301 1.00 0.00 C ATOM 942 OD1 ASP A 59 5.423 17.566 6.713 1.00 0.00 O ATOM 943 OD2 ASP A 59 6.048 19.691 6.953 1.00 0.00 O ATOM 0 H ASP A 59 3.540 18.408 10.741 1.00 0.00 H new ATOM 0 HA ASP A 59 5.514 17.062 9.563 1.00 0.00 H new ATOM 0 HB2 ASP A 59 3.640 18.256 8.425 1.00 0.00 H new ATOM 0 HB3 ASP A 59 4.376 19.802 8.795 1.00 0.00 H new ATOM 948 N LEU A 60 6.748 20.020 10.430 1.00 0.00 N ATOM 949 CA LEU A 60 7.995 20.757 10.601 1.00 0.00 C ATOM 950 C LEU A 60 8.972 19.972 11.483 1.00 0.00 C ATOM 951 O LEU A 60 10.126 19.766 11.114 1.00 0.00 O ATOM 952 CB LEU A 60 7.704 22.139 11.214 1.00 0.00 C ATOM 953 CG LEU A 60 7.216 23.217 10.227 1.00 0.00 C ATOM 954 CD1 LEU A 60 8.381 23.754 9.389 1.00 0.00 C ATOM 955 CD2 LEU A 60 6.075 22.757 9.311 1.00 0.00 C ATOM 0 H LEU A 60 5.919 20.530 10.736 1.00 0.00 H new ATOM 0 HA LEU A 60 8.459 20.894 9.624 1.00 0.00 H new ATOM 0 HB2 LEU A 60 6.952 22.019 11.994 1.00 0.00 H new ATOM 0 HB3 LEU A 60 8.611 22.500 11.698 1.00 0.00 H new ATOM 0 HG LEU A 60 6.806 24.015 10.846 1.00 0.00 H new ATOM 0 HD11 LEU A 60 8.013 24.514 8.699 1.00 0.00 H new ATOM 0 HD12 LEU A 60 9.130 24.194 10.047 1.00 0.00 H new ATOM 0 HD13 LEU A 60 8.829 22.937 8.824 1.00 0.00 H new ATOM 0 HD21 LEU A 60 5.790 23.573 8.647 1.00 0.00 H new ATOM 0 HD22 LEU A 60 6.406 21.905 8.717 1.00 0.00 H new ATOM 0 HD23 LEU A 60 5.217 22.465 9.917 1.00 0.00 H new ATOM 967 N ASP A 61 8.510 19.542 12.659 1.00 0.00 N ATOM 968 CA ASP A 61 9.340 18.853 13.640 1.00 0.00 C ATOM 969 C ASP A 61 9.630 17.417 13.213 1.00 0.00 C ATOM 970 O ASP A 61 10.686 16.886 13.531 1.00 0.00 O ATOM 971 CB ASP A 61 8.651 18.885 15.009 1.00 0.00 C ATOM 972 CG ASP A 61 9.507 18.205 16.074 1.00 0.00 C ATOM 973 OD1 ASP A 61 10.468 18.861 16.530 1.00 0.00 O ATOM 974 OD2 ASP A 61 9.185 17.045 16.410 1.00 0.00 O ATOM 0 H ASP A 61 7.542 19.665 12.956 1.00 0.00 H new ATOM 0 HA ASP A 61 10.297 19.370 13.709 1.00 0.00 H new ATOM 0 HB2 ASP A 61 8.459 19.918 15.298 1.00 0.00 H new ATOM 0 HB3 ASP A 61 7.684 18.387 14.944 1.00 0.00 H new ATOM 979 N ARG A 62 8.706 16.780 12.496 1.00 0.00 N ATOM 980 CA ARG A 62 8.936 15.468 11.919 1.00 0.00 C ATOM 981 C ARG A 62 10.072 15.570 10.899 1.00 0.00 C ATOM 982 O ARG A 62 11.064 14.845 10.973 1.00 0.00 O ATOM 983 CB ARG A 62 7.630 14.962 11.290 1.00 0.00 C ATOM 984 CG ARG A 62 7.770 13.539 10.732 1.00 0.00 C ATOM 985 CD ARG A 62 6.486 13.068 10.039 1.00 0.00 C ATOM 986 NE ARG A 62 5.344 13.075 10.969 1.00 0.00 N ATOM 987 CZ ARG A 62 4.502 12.067 11.243 1.00 0.00 C ATOM 988 NH1 ARG A 62 4.564 10.893 10.602 1.00 0.00 N ATOM 989 NH2 ARG A 62 3.578 12.264 12.185 1.00 0.00 N ATOM 0 H ARG A 62 7.781 17.163 12.302 1.00 0.00 H new ATOM 0 HA ARG A 62 9.235 14.748 12.681 1.00 0.00 H new ATOM 0 HB2 ARG A 62 6.837 14.981 12.038 1.00 0.00 H new ATOM 0 HB3 ARG A 62 7.329 15.637 10.489 1.00 0.00 H new ATOM 0 HG2 ARG A 62 8.598 13.507 10.024 1.00 0.00 H new ATOM 0 HG3 ARG A 62 8.017 12.854 11.543 1.00 0.00 H new ATOM 0 HD2 ARG A 62 6.270 13.716 9.189 1.00 0.00 H new ATOM 0 HD3 ARG A 62 6.631 12.062 9.645 1.00 0.00 H new ATOM 0 HE ARG A 62 5.173 13.950 11.464 1.00 0.00 H new ATOM 0 HH11 ARG A 62 5.268 10.743 9.879 1.00 0.00 H new ATOM 0 HH12 ARG A 62 3.907 10.149 10.837 1.00 0.00 H new ATOM 0 HH21 ARG A 62 3.528 13.159 12.671 1.00 0.00 H new ATOM 0 HH22 ARG A 62 2.921 11.519 12.419 1.00 0.00 H new ATOM 1068 N GLU A 67 13.672 16.167 3.892 1.00 0.00 N ATOM 1069 CA GLU A 67 13.213 15.101 3.017 1.00 0.00 C ATOM 1070 C GLU A 67 12.724 13.900 3.835 1.00 0.00 C ATOM 1071 O GLU A 67 13.140 13.703 4.976 1.00 0.00 O ATOM 1072 CB GLU A 67 14.335 14.687 2.052 1.00 0.00 C ATOM 1073 CG GLU A 67 14.528 15.691 0.904 1.00 0.00 C ATOM 1074 CD GLU A 67 14.961 17.074 1.383 1.00 0.00 C ATOM 1075 OE1 GLU A 67 16.153 17.205 1.734 1.00 0.00 O ATOM 1076 OE2 GLU A 67 14.091 17.972 1.395 1.00 0.00 O ATOM 0 HA GLU A 67 12.372 15.470 2.430 1.00 0.00 H new ATOM 0 HB2 GLU A 67 15.269 14.591 2.606 1.00 0.00 H new ATOM 0 HB3 GLU A 67 14.108 13.705 1.637 1.00 0.00 H new ATOM 0 HG2 GLU A 67 15.275 15.303 0.212 1.00 0.00 H new ATOM 0 HG3 GLU A 67 13.595 15.782 0.348 1.00 0.00 H new ATOM 1083 N VAL A 68 11.862 13.090 3.218 1.00 0.00 N ATOM 1084 CA VAL A 68 11.323 11.834 3.717 1.00 0.00 C ATOM 1085 C VAL A 68 11.179 10.878 2.527 1.00 0.00 C ATOM 1086 O VAL A 68 11.126 11.319 1.375 1.00 0.00 O ATOM 1087 CB VAL A 68 9.954 12.055 4.388 1.00 0.00 C ATOM 1088 CG1 VAL A 68 10.081 12.685 5.776 1.00 0.00 C ATOM 1089 CG2 VAL A 68 9.021 12.884 3.506 1.00 0.00 C ATOM 0 H VAL A 68 11.500 13.315 2.291 1.00 0.00 H new ATOM 0 HA VAL A 68 11.994 11.414 4.466 1.00 0.00 H new ATOM 0 HB VAL A 68 9.514 11.066 4.516 1.00 0.00 H new ATOM 0 HG11 VAL A 68 9.089 12.820 6.206 1.00 0.00 H new ATOM 0 HG12 VAL A 68 10.670 12.032 6.420 1.00 0.00 H new ATOM 0 HG13 VAL A 68 10.575 13.653 5.692 1.00 0.00 H new ATOM 0 HG21 VAL A 68 8.065 13.019 4.013 1.00 0.00 H new ATOM 0 HG22 VAL A 68 9.471 13.858 3.315 1.00 0.00 H new ATOM 0 HG23 VAL A 68 8.860 12.367 2.560 1.00 0.00 H new ATOM 1099 N ASN A 69 11.104 9.576 2.815 1.00 0.00 N ATOM 1100 CA ASN A 69 10.878 8.511 1.839 1.00 0.00 C ATOM 1101 C ASN A 69 9.424 8.049 1.862 1.00 0.00 C ATOM 1102 O ASN A 69 8.672 8.394 2.773 1.00 0.00 O ATOM 1103 CB ASN A 69 11.835 7.326 2.067 1.00 0.00 C ATOM 1104 CG ASN A 69 11.237 6.234 2.957 1.00 0.00 C ATOM 1105 OD1 ASN A 69 10.703 5.241 2.469 1.00 0.00 O ATOM 1106 ND2 ASN A 69 11.288 6.412 4.270 1.00 0.00 N ATOM 0 H ASN A 69 11.203 9.224 3.767 1.00 0.00 H new ATOM 0 HA ASN A 69 11.089 8.920 0.851 1.00 0.00 H new ATOM 0 HB2 ASN A 69 12.105 6.894 1.103 1.00 0.00 H new ATOM 0 HB3 ASN A 69 12.756 7.692 2.521 1.00 0.00 H new ATOM 0 HD21 ASN A 69 10.879 5.717 4.895 1.00 0.00 H new ATOM 0 HD22 ASN A 69 11.736 7.244 4.655 1.00 0.00 H new ATOM 1113 N PHE A 70 9.066 7.214 0.882 1.00 0.00 N ATOM 1114 CA PHE A 70 7.787 6.522 0.809 1.00 0.00 C ATOM 1115 C PHE A 70 7.250 6.113 2.184 1.00 0.00 C ATOM 1116 O PHE A 70 6.203 6.605 2.593 1.00 0.00 O ATOM 1117 CB PHE A 70 7.904 5.314 -0.125 1.00 0.00 C ATOM 1118 CG PHE A 70 6.623 4.510 -0.246 1.00 0.00 C ATOM 1119 CD1 PHE A 70 5.504 5.067 -0.894 1.00 0.00 C ATOM 1120 CD2 PHE A 70 6.529 3.225 0.325 1.00 0.00 C ATOM 1121 CE1 PHE A 70 4.318 4.322 -1.021 1.00 0.00 C ATOM 1122 CE2 PHE A 70 5.347 2.479 0.192 1.00 0.00 C ATOM 1123 CZ PHE A 70 4.243 3.023 -0.486 1.00 0.00 C ATOM 0 H PHE A 70 9.680 6.998 0.097 1.00 0.00 H new ATOM 0 HA PHE A 70 7.058 7.222 0.401 1.00 0.00 H new ATOM 0 HB2 PHE A 70 8.201 5.659 -1.115 1.00 0.00 H new ATOM 0 HB3 PHE A 70 8.699 4.662 0.237 1.00 0.00 H new ATOM 0 HD1 PHE A 70 5.557 6.069 -1.294 1.00 0.00 H new ATOM 0 HD2 PHE A 70 7.368 2.813 0.866 1.00 0.00 H new ATOM 0 HE1 PHE A 70 3.465 4.747 -1.529 1.00 0.00 H new ATOM 0 HE2 PHE A 70 5.286 1.486 0.611 1.00 0.00 H new ATOM 0 HZ PHE A 70 3.338 2.444 -0.596 1.00 0.00 H new ATOM 1133 N GLN A 71 7.934 5.236 2.927 1.00 0.00 N ATOM 1134 CA GLN A 71 7.330 4.719 4.151 1.00 0.00 C ATOM 1135 C GLN A 71 7.171 5.811 5.212 1.00 0.00 C ATOM 1136 O GLN A 71 6.245 5.751 6.015 1.00 0.00 O ATOM 1137 CB GLN A 71 8.058 3.476 4.687 1.00 0.00 C ATOM 1138 CG GLN A 71 7.207 2.698 5.717 1.00 0.00 C ATOM 1139 CD GLN A 71 5.920 2.115 5.137 1.00 0.00 C ATOM 1140 OE1 GLN A 71 5.708 2.118 3.928 1.00 0.00 O ATOM 1141 NE2 GLN A 71 5.047 1.590 5.988 1.00 0.00 N ATOM 0 H GLN A 71 8.867 4.883 2.712 1.00 0.00 H new ATOM 0 HA GLN A 71 6.325 4.387 3.890 1.00 0.00 H new ATOM 0 HB2 GLN A 71 8.310 2.818 3.855 1.00 0.00 H new ATOM 0 HB3 GLN A 71 8.997 3.779 5.149 1.00 0.00 H new ATOM 0 HG2 GLN A 71 7.807 1.888 6.133 1.00 0.00 H new ATOM 0 HG3 GLN A 71 6.954 3.363 6.542 1.00 0.00 H new ATOM 0 HE21 GLN A 71 5.243 1.598 6.989 1.00 0.00 H new ATOM 0 HE22 GLN A 71 4.181 1.179 5.641 1.00 0.00 H new ATOM 1150 N GLU A 72 8.031 6.832 5.225 1.00 0.00 N ATOM 1151 CA GLU A 72 7.831 7.974 6.109 1.00 0.00 C ATOM 1152 C GLU A 72 6.564 8.734 5.699 1.00 0.00 C ATOM 1153 O GLU A 72 5.757 9.092 6.555 1.00 0.00 O ATOM 1154 CB GLU A 72 9.062 8.876 6.093 1.00 0.00 C ATOM 1155 CG GLU A 72 10.222 8.274 6.893 1.00 0.00 C ATOM 1156 CD GLU A 72 11.525 8.995 6.572 1.00 0.00 C ATOM 1157 OE1 GLU A 72 11.957 8.860 5.405 1.00 0.00 O ATOM 1158 OE2 GLU A 72 12.051 9.673 7.480 1.00 0.00 O ATOM 0 H GLU A 72 8.863 6.888 4.638 1.00 0.00 H new ATOM 0 HA GLU A 72 7.695 7.623 7.132 1.00 0.00 H new ATOM 0 HB2 GLU A 72 9.378 9.040 5.063 1.00 0.00 H new ATOM 0 HB3 GLU A 72 8.803 9.851 6.506 1.00 0.00 H new ATOM 0 HG2 GLU A 72 10.012 8.348 7.960 1.00 0.00 H new ATOM 0 HG3 GLU A 72 10.320 7.214 6.660 1.00 0.00 H new ATOM 1165 N TYR A 73 6.354 8.944 4.397 1.00 0.00 N ATOM 1166 CA TYR A 73 5.088 9.475 3.899 1.00 0.00 C ATOM 1167 C TYR A 73 3.922 8.604 4.398 1.00 0.00 C ATOM 1168 O TYR A 73 2.955 9.110 4.971 1.00 0.00 O ATOM 1169 CB TYR A 73 5.125 9.618 2.366 1.00 0.00 C ATOM 1170 CG TYR A 73 3.811 9.352 1.649 1.00 0.00 C ATOM 1171 CD1 TYR A 73 2.819 10.348 1.589 1.00 0.00 C ATOM 1172 CD2 TYR A 73 3.587 8.109 1.025 1.00 0.00 C ATOM 1173 CE1 TYR A 73 1.640 10.122 0.857 1.00 0.00 C ATOM 1174 CE2 TYR A 73 2.390 7.872 0.329 1.00 0.00 C ATOM 1175 CZ TYR A 73 1.435 8.893 0.208 1.00 0.00 C ATOM 1176 OH TYR A 73 0.328 8.710 -0.566 1.00 0.00 O ATOM 0 H TYR A 73 7.045 8.754 3.671 1.00 0.00 H new ATOM 0 HA TYR A 73 4.928 10.478 4.295 1.00 0.00 H new ATOM 0 HB2 TYR A 73 5.454 10.628 2.121 1.00 0.00 H new ATOM 0 HB3 TYR A 73 5.877 8.934 1.973 1.00 0.00 H new ATOM 0 HD1 TYR A 73 2.963 11.286 2.105 1.00 0.00 H new ATOM 0 HD2 TYR A 73 4.338 7.335 1.082 1.00 0.00 H new ATOM 0 HE1 TYR A 73 0.889 10.896 0.793 1.00 0.00 H new ATOM 0 HE2 TYR A 73 2.205 6.904 -0.113 1.00 0.00 H new ATOM 0 HH TYR A 73 0.507 8.015 -1.233 1.00 0.00 H new ATOM 1186 N ILE A 74 4.027 7.283 4.237 1.00 0.00 N ATOM 1187 CA ILE A 74 3.031 6.352 4.752 1.00 0.00 C ATOM 1188 C ILE A 74 2.887 6.497 6.274 1.00 0.00 C ATOM 1189 O ILE A 74 1.791 6.333 6.798 1.00 0.00 O ATOM 1190 CB ILE A 74 3.356 4.904 4.341 1.00 0.00 C ATOM 1191 CG1 ILE A 74 3.440 4.679 2.818 1.00 0.00 C ATOM 1192 CG2 ILE A 74 2.326 3.942 4.925 1.00 0.00 C ATOM 1193 CD1 ILE A 74 2.098 4.791 2.087 1.00 0.00 C ATOM 0 H ILE A 74 4.802 6.834 3.748 1.00 0.00 H new ATOM 0 HA ILE A 74 2.068 6.601 4.306 1.00 0.00 H new ATOM 0 HB ILE A 74 4.349 4.708 4.745 1.00 0.00 H new ATOM 0 HG12 ILE A 74 4.133 5.405 2.393 1.00 0.00 H new ATOM 0 HG13 ILE A 74 3.860 3.691 2.632 1.00 0.00 H new ATOM 0 HG21 ILE A 74 2.569 2.923 4.626 1.00 0.00 H new ATOM 0 HG22 ILE A 74 2.337 4.013 6.013 1.00 0.00 H new ATOM 0 HG23 ILE A 74 1.334 4.202 4.555 1.00 0.00 H new ATOM 0 HD11 ILE A 74 2.249 4.619 1.021 1.00 0.00 H new ATOM 0 HD12 ILE A 74 1.406 4.046 2.481 1.00 0.00 H new ATOM 0 HD13 ILE A 74 1.683 5.788 2.239 1.00 0.00 H new ATOM 1205 N THR A 75 3.958 6.813 7.003 1.00 0.00 N ATOM 1206 CA THR A 75 3.892 7.084 8.436 1.00 0.00 C ATOM 1207 C THR A 75 3.186 8.415 8.712 1.00 0.00 C ATOM 1208 O THR A 75 2.532 8.561 9.740 1.00 0.00 O ATOM 1209 CB THR A 75 5.289 6.996 9.073 1.00 0.00 C ATOM 1210 OG1 THR A 75 5.876 5.754 8.745 1.00 0.00 O ATOM 1211 CG2 THR A 75 5.234 7.077 10.601 1.00 0.00 C ATOM 0 H THR A 75 4.898 6.888 6.613 1.00 0.00 H new ATOM 0 HA THR A 75 3.286 6.314 8.912 1.00 0.00 H new ATOM 0 HB THR A 75 5.867 7.837 8.689 1.00 0.00 H new ATOM 0 HG1 THR A 75 6.170 5.768 7.810 1.00 0.00 H new ATOM 0 HG21 THR A 75 6.244 7.011 11.005 1.00 0.00 H new ATOM 0 HG22 THR A 75 4.785 8.025 10.899 1.00 0.00 H new ATOM 0 HG23 THR A 75 4.633 6.254 10.988 1.00 0.00 H new ATOM 1219 N PHE A 76 3.276 9.393 7.807 1.00 0.00 N ATOM 1220 CA PHE A 76 2.480 10.613 7.899 1.00 0.00 C ATOM 1221 C PHE A 76 0.992 10.249 7.838 1.00 0.00 C ATOM 1222 O PHE A 76 0.222 10.559 8.750 1.00 0.00 O ATOM 1223 CB PHE A 76 2.903 11.608 6.807 1.00 0.00 C ATOM 1224 CG PHE A 76 2.511 13.053 7.055 1.00 0.00 C ATOM 1225 CD1 PHE A 76 3.200 13.804 8.025 1.00 0.00 C ATOM 1226 CD2 PHE A 76 1.579 13.693 6.214 1.00 0.00 C ATOM 1227 CE1 PHE A 76 2.958 15.181 8.161 1.00 0.00 C ATOM 1228 CE2 PHE A 76 1.367 15.080 6.323 1.00 0.00 C ATOM 1229 CZ PHE A 76 2.062 15.825 7.291 1.00 0.00 C ATOM 0 H PHE A 76 3.897 9.360 6.999 1.00 0.00 H new ATOM 0 HA PHE A 76 2.656 11.112 8.852 1.00 0.00 H new ATOM 0 HB2 PHE A 76 3.986 11.558 6.693 1.00 0.00 H new ATOM 0 HB3 PHE A 76 2.468 11.289 5.860 1.00 0.00 H new ATOM 0 HD1 PHE A 76 3.919 13.319 8.669 1.00 0.00 H new ATOM 0 HD2 PHE A 76 1.027 13.119 5.485 1.00 0.00 H new ATOM 0 HE1 PHE A 76 3.460 15.744 8.934 1.00 0.00 H new ATOM 0 HE2 PHE A 76 0.669 15.573 5.662 1.00 0.00 H new ATOM 0 HZ PHE A 76 1.908 16.891 7.366 1.00 0.00 H new ATOM 1239 N LEU A 77 0.593 9.538 6.780 1.00 0.00 N ATOM 1240 CA LEU A 77 -0.794 9.112 6.611 1.00 0.00 C ATOM 1241 C LEU A 77 -1.236 8.173 7.740 1.00 0.00 C ATOM 1242 O LEU A 77 -2.355 8.262 8.238 1.00 0.00 O ATOM 1243 CB LEU A 77 -0.985 8.437 5.248 1.00 0.00 C ATOM 1244 CG LEU A 77 -0.597 9.313 4.044 1.00 0.00 C ATOM 1245 CD1 LEU A 77 -1.018 8.583 2.764 1.00 0.00 C ATOM 1246 CD2 LEU A 77 -1.247 10.701 4.085 1.00 0.00 C ATOM 0 H LEU A 77 1.215 9.246 6.027 1.00 0.00 H new ATOM 0 HA LEU A 77 -1.422 10.002 6.655 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -0.392 7.523 5.223 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -2.029 8.142 5.146 1.00 0.00 H new ATOM 0 HG LEU A 77 0.481 9.472 4.073 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -0.752 9.187 1.896 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -0.506 7.622 2.708 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -2.096 8.420 2.776 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -0.937 11.274 3.211 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -2.332 10.595 4.083 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -0.935 11.222 4.990 1.00 0.00 H new ATOM 1258 N GLY A 78 -0.357 7.265 8.152 1.00 0.00 N ATOM 1259 CA GLY A 78 -0.616 6.310 9.213 1.00 0.00 C ATOM 1260 C GLY A 78 -0.820 7.026 10.542 1.00 0.00 C ATOM 1261 O GLY A 78 -1.747 6.709 11.280 1.00 0.00 O ATOM 0 H GLY A 78 0.574 7.174 7.746 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -1.501 5.721 8.971 1.00 0.00 H new ATOM 0 HA3 GLY A 78 0.218 5.613 9.294 1.00 0.00 H new ATOM 1265 N ALA A 79 0.019 8.018 10.842 1.00 0.00 N ATOM 1266 CA ALA A 79 -0.128 8.836 12.033 1.00 0.00 C ATOM 1267 C ALA A 79 -1.440 9.622 11.983 1.00 0.00 C ATOM 1268 O ALA A 79 -2.190 9.609 12.954 1.00 0.00 O ATOM 1269 CB ALA A 79 1.091 9.745 12.181 1.00 0.00 C ATOM 0 H ALA A 79 0.818 8.272 10.262 1.00 0.00 H new ATOM 0 HA ALA A 79 -0.177 8.199 12.916 1.00 0.00 H new ATOM 0 HB1 ALA A 79 0.981 10.359 13.075 1.00 0.00 H new ATOM 0 HB2 ALA A 79 1.991 9.136 12.268 1.00 0.00 H new ATOM 0 HB3 ALA A 79 1.173 10.390 11.306 1.00 0.00 H new ATOM 1275 N LEU A 80 -1.745 10.283 10.860 1.00 0.00 N ATOM 1276 CA LEU A 80 -3.042 10.934 10.655 1.00 0.00 C ATOM 1277 C LEU A 80 -4.179 9.974 11.012 1.00 0.00 C ATOM 1278 O LEU A 80 -5.007 10.253 11.887 1.00 0.00 O ATOM 1279 CB LEU A 80 -3.146 11.392 9.191 1.00 0.00 C ATOM 1280 CG LEU A 80 -4.522 11.954 8.803 1.00 0.00 C ATOM 1281 CD1 LEU A 80 -4.710 13.362 9.361 1.00 0.00 C ATOM 1282 CD2 LEU A 80 -4.633 12.006 7.279 1.00 0.00 C ATOM 0 H LEU A 80 -1.103 10.381 10.073 1.00 0.00 H new ATOM 0 HA LEU A 80 -3.126 11.804 11.306 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -2.389 12.154 9.006 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -2.914 10.548 8.541 1.00 0.00 H new ATOM 0 HG LEU A 80 -5.292 11.304 9.219 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -5.691 13.739 9.073 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -4.636 13.335 10.448 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -3.937 14.018 8.960 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -5.608 12.404 6.999 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -3.849 12.650 6.879 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -4.521 11.001 6.872 1.00 0.00 H new ATOM 1294 N ALA A 81 -4.196 8.838 10.310 1.00 0.00 N ATOM 1295 CA ALA A 81 -5.169 7.782 10.488 1.00 0.00 C ATOM 1296 C ALA A 81 -5.293 7.414 11.960 1.00 0.00 C ATOM 1297 O ALA A 81 -6.399 7.433 12.489 1.00 0.00 O ATOM 1298 CB ALA A 81 -4.761 6.565 9.656 1.00 0.00 C ATOM 0 H ALA A 81 -3.510 8.632 9.584 1.00 0.00 H new ATOM 0 HA ALA A 81 -6.144 8.131 10.147 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -5.494 5.770 9.791 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -4.716 6.843 8.603 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -3.782 6.214 9.981 1.00 0.00 H new ATOM 1304 N MET A 82 -4.172 7.087 12.605 1.00 0.00 N ATOM 1305 CA MET A 82 -4.131 6.680 13.996 1.00 0.00 C ATOM 1306 C MET A 82 -4.724 7.758 14.902 1.00 0.00 C ATOM 1307 O MET A 82 -5.544 7.452 15.764 1.00 0.00 O ATOM 1308 CB MET A 82 -2.688 6.328 14.392 1.00 0.00 C ATOM 1309 CG MET A 82 -2.608 5.895 15.862 1.00 0.00 C ATOM 1310 SD MET A 82 -1.020 5.256 16.460 1.00 0.00 S ATOM 1311 CE MET A 82 -0.799 3.808 15.403 1.00 0.00 C ATOM 0 H MET A 82 -3.254 7.100 12.160 1.00 0.00 H new ATOM 0 HA MET A 82 -4.746 5.789 14.124 1.00 0.00 H new ATOM 0 HB2 MET A 82 -2.318 5.526 13.753 1.00 0.00 H new ATOM 0 HB3 MET A 82 -2.042 7.191 14.228 1.00 0.00 H new ATOM 0 HG2 MET A 82 -2.881 6.750 16.480 1.00 0.00 H new ATOM 0 HG3 MET A 82 -3.364 5.127 16.028 1.00 0.00 H new ATOM 0 HE1 MET A 82 0.004 3.187 15.800 1.00 0.00 H new ATOM 0 HE2 MET A 82 -1.724 3.232 15.377 1.00 0.00 H new ATOM 0 HE3 MET A 82 -0.544 4.130 14.393 1.00 0.00 H new ATOM 1321 N ILE A 83 -4.283 9.009 14.742 1.00 0.00 N ATOM 1322 CA ILE A 83 -4.702 10.066 15.646 1.00 0.00 C ATOM 1323 C ILE A 83 -6.216 10.278 15.536 1.00 0.00 C ATOM 1324 O ILE A 83 -6.870 10.318 16.578 1.00 0.00 O ATOM 1325 CB ILE A 83 -3.882 11.358 15.484 1.00 0.00 C ATOM 1326 CG1 ILE A 83 -2.386 11.139 15.776 1.00 0.00 C ATOM 1327 CG2 ILE A 83 -4.400 12.422 16.471 1.00 0.00 C ATOM 1328 CD1 ILE A 83 -1.536 12.286 15.210 1.00 0.00 C ATOM 0 H ILE A 83 -3.645 9.305 14.003 1.00 0.00 H new ATOM 0 HA ILE A 83 -4.490 9.747 16.666 1.00 0.00 H new ATOM 0 HB ILE A 83 -3.995 11.680 14.449 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -2.230 11.064 16.852 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -2.062 10.194 15.340 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -3.820 13.337 16.357 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -5.450 12.630 16.264 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -4.298 12.052 17.491 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -0.485 12.103 15.432 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -1.675 12.343 14.130 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -1.845 13.227 15.666 1.00 0.00 H new ATOM 1340 N TYR A 84 -6.784 10.423 14.323 1.00 0.00 N ATOM 1341 CA TYR A 84 -8.228 10.664 14.226 1.00 0.00 C ATOM 1342 C TYR A 84 -9.081 9.396 14.383 1.00 0.00 C ATOM 1343 O TYR A 84 -10.114 9.438 15.052 1.00 0.00 O ATOM 1344 CB TYR A 84 -8.672 11.680 13.150 1.00 0.00 C ATOM 1345 CG TYR A 84 -8.287 11.580 11.682 1.00 0.00 C ATOM 1346 CD1 TYR A 84 -8.239 10.347 11.007 1.00 0.00 C ATOM 1347 CD2 TYR A 84 -8.312 12.770 10.926 1.00 0.00 C ATOM 1348 CE1 TYR A 84 -8.247 10.306 9.598 1.00 0.00 C ATOM 1349 CE2 TYR A 84 -8.273 12.733 9.524 1.00 0.00 C ATOM 1350 CZ TYR A 84 -8.280 11.500 8.856 1.00 0.00 C ATOM 1351 OH TYR A 84 -8.363 11.483 7.493 1.00 0.00 O ATOM 0 H TYR A 84 -6.286 10.379 13.434 1.00 0.00 H new ATOM 0 HA TYR A 84 -8.469 11.230 15.126 1.00 0.00 H new ATOM 0 HB2 TYR A 84 -9.761 11.699 13.179 1.00 0.00 H new ATOM 0 HB3 TYR A 84 -8.326 12.656 13.491 1.00 0.00 H new ATOM 0 HD1 TYR A 84 -8.196 9.427 11.571 1.00 0.00 H new ATOM 0 HD2 TYR A 84 -8.362 13.722 11.433 1.00 0.00 H new ATOM 0 HE1 TYR A 84 -8.228 9.355 9.087 1.00 0.00 H new ATOM 0 HE2 TYR A 84 -8.238 13.653 8.960 1.00 0.00 H new ATOM 0 HH TYR A 84 -9.128 10.936 7.219 1.00 0.00 H new ATOM 1361 N ASN A 85 -8.651 8.246 13.856 1.00 0.00 N ATOM 1362 CA ASN A 85 -9.322 6.977 14.139 1.00 0.00 C ATOM 1363 C ASN A 85 -8.835 6.489 15.494 1.00 0.00 C ATOM 1364 O ASN A 85 -8.047 5.551 15.574 1.00 0.00 O ATOM 1365 CB ASN A 85 -9.081 5.905 13.067 1.00 0.00 C ATOM 1366 CG ASN A 85 -9.588 6.321 11.696 1.00 0.00 C ATOM 1367 OD1 ASN A 85 -10.711 6.018 11.312 1.00 0.00 O ATOM 1368 ND2 ASN A 85 -8.741 7.005 10.938 1.00 0.00 N ATOM 0 H ASN A 85 -7.846 8.169 13.235 1.00 0.00 H new ATOM 0 HA ASN A 85 -10.398 7.152 14.140 1.00 0.00 H new ATOM 0 HB2 ASN A 85 -8.014 5.692 13.006 1.00 0.00 H new ATOM 0 HB3 ASN A 85 -9.574 4.980 13.367 1.00 0.00 H new ATOM 0 HD21 ASN A 85 -9.017 7.297 10.001 1.00 0.00 H new ATOM 0 HD22 ASN A 85 -7.814 7.239 11.293 1.00 0.00 H new ATOM 1375 N GLU A 86 -9.332 7.122 16.559 1.00 0.00 N ATOM 1376 CA GLU A 86 -8.930 6.865 17.940 1.00 0.00 C ATOM 1377 C GLU A 86 -8.903 5.368 18.280 1.00 0.00 C ATOM 1378 O GLU A 86 -8.073 4.912 19.063 1.00 0.00 O ATOM 1379 CB GLU A 86 -9.831 7.638 18.912 1.00 0.00 C ATOM 1380 CG GLU A 86 -9.965 9.108 18.488 1.00 0.00 C ATOM 1381 CD GLU A 86 -10.459 10.019 19.607 1.00 0.00 C ATOM 1382 OE1 GLU A 86 -11.152 9.502 20.510 1.00 0.00 O ATOM 1383 OE2 GLU A 86 -10.130 11.223 19.532 1.00 0.00 O ATOM 0 H GLU A 86 -10.045 7.847 16.480 1.00 0.00 H new ATOM 0 HA GLU A 86 -7.906 7.223 18.049 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -10.817 7.174 18.946 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -9.417 7.583 19.919 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -8.997 9.467 18.138 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -10.653 9.174 17.645 1.00 0.00 H new ATOM 1390 N ALA A 87 -9.799 4.598 17.657 1.00 0.00 N ATOM 1391 CA ALA A 87 -9.821 3.144 17.711 1.00 0.00 C ATOM 1392 C ALA A 87 -8.421 2.514 17.623 1.00 0.00 C ATOM 1393 O ALA A 87 -8.152 1.517 18.290 1.00 0.00 O ATOM 1394 CB ALA A 87 -10.700 2.624 16.570 1.00 0.00 C ATOM 0 H ALA A 87 -10.549 4.986 17.085 1.00 0.00 H new ATOM 0 HA ALA A 87 -10.227 2.855 18.681 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -10.726 1.535 16.598 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -11.712 3.014 16.683 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -10.289 2.953 15.615 1.00 0.00 H new ATOM 1400 N LEU A 88 -7.545 3.079 16.785 1.00 0.00 N ATOM 1401 CA LEU A 88 -6.225 2.548 16.476 1.00 0.00 C ATOM 1402 C LEU A 88 -5.112 3.078 17.394 1.00 0.00 C ATOM 1403 O LEU A 88 -3.944 2.923 17.044 1.00 0.00 O ATOM 1404 CB LEU A 88 -5.869 2.896 15.023 1.00 0.00 C ATOM 1405 CG LEU A 88 -6.932 2.545 13.973 1.00 0.00 C ATOM 1406 CD1 LEU A 88 -6.392 2.980 12.608 1.00 0.00 C ATOM 1407 CD2 LEU A 88 -7.246 1.045 13.949 1.00 0.00 C ATOM 0 H LEU A 88 -7.748 3.947 16.290 1.00 0.00 H new ATOM 0 HA LEU A 88 -6.282 1.471 16.633 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -5.667 3.965 14.964 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -4.944 2.382 14.762 1.00 0.00 H new ATOM 0 HG LEU A 88 -7.861 3.060 14.220 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -7.124 2.745 11.835 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -6.205 4.054 12.616 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -5.462 2.451 12.399 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -8.003 0.844 13.191 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -6.340 0.487 13.713 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -7.619 0.736 14.925 1.00 0.00 H new ATOM 1469 N ALA B 2 -14.929 12.826 2.180 1.00 0.00 N ATOM 1470 CA ALA B 2 -14.016 11.692 2.107 1.00 0.00 C ATOM 1471 C ALA B 2 -13.201 11.755 0.812 1.00 0.00 C ATOM 1472 O ALA B 2 -13.518 11.082 -0.167 1.00 0.00 O ATOM 1473 CB ALA B 2 -14.801 10.381 2.220 1.00 0.00 C ATOM 0 HA ALA B 2 -13.315 11.734 2.941 1.00 0.00 H new ATOM 0 HB1 ALA B 2 -14.112 9.538 2.165 1.00 0.00 H new ATOM 0 HB2 ALA B 2 -15.330 10.355 3.172 1.00 0.00 H new ATOM 0 HB3 ALA B 2 -15.520 10.316 1.403 1.00 0.00 H new ATOM 1479 N SER B 3 -12.156 12.583 0.802 1.00 0.00 N ATOM 1480 CA SER B 3 -11.228 12.728 -0.307 1.00 0.00 C ATOM 1481 C SER B 3 -10.639 11.368 -0.723 1.00 0.00 C ATOM 1482 O SER B 3 -10.622 10.448 0.097 1.00 0.00 O ATOM 1483 CB SER B 3 -10.110 13.669 0.147 1.00 0.00 C ATOM 1484 OG SER B 3 -10.589 14.630 1.071 1.00 0.00 O ATOM 0 H SER B 3 -11.930 13.187 1.592 1.00 0.00 H new ATOM 0 HA SER B 3 -11.750 13.133 -1.174 1.00 0.00 H new ATOM 0 HB2 SER B 3 -9.308 13.090 0.604 1.00 0.00 H new ATOM 0 HB3 SER B 3 -9.684 14.175 -0.719 1.00 0.00 H new ATOM 0 HG SER B 3 -10.064 15.454 0.988 1.00 0.00 H new ATOM 1490 N PRO B 4 -10.097 11.229 -1.947 1.00 0.00 N ATOM 1491 CA PRO B 4 -9.512 9.982 -2.427 1.00 0.00 C ATOM 1492 C PRO B 4 -8.557 9.347 -1.415 1.00 0.00 C ATOM 1493 O PRO B 4 -8.690 8.166 -1.096 1.00 0.00 O ATOM 1494 CB PRO B 4 -8.813 10.321 -3.746 1.00 0.00 C ATOM 1495 CG PRO B 4 -9.623 11.511 -4.259 1.00 0.00 C ATOM 1496 CD PRO B 4 -10.008 12.253 -2.978 1.00 0.00 C ATOM 0 HA PRO B 4 -10.286 9.229 -2.574 1.00 0.00 H new ATOM 0 HB2 PRO B 4 -7.765 10.580 -3.594 1.00 0.00 H new ATOM 0 HB3 PRO B 4 -8.837 9.484 -4.444 1.00 0.00 H new ATOM 0 HG2 PRO B 4 -9.035 12.140 -4.927 1.00 0.00 H new ATOM 0 HG3 PRO B 4 -10.502 11.189 -4.817 1.00 0.00 H new ATOM 0 HD2 PRO B 4 -9.262 13.005 -2.721 1.00 0.00 H new ATOM 0 HD3 PRO B 4 -10.958 12.774 -3.097 1.00 0.00 H new ATOM 1504 N LEU B 5 -7.614 10.128 -0.876 1.00 0.00 N ATOM 1505 CA LEU B 5 -6.739 9.630 0.174 1.00 0.00 C ATOM 1506 C LEU B 5 -7.528 9.153 1.390 1.00 0.00 C ATOM 1507 O LEU B 5 -7.202 8.107 1.939 1.00 0.00 O ATOM 1508 CB LEU B 5 -5.700 10.674 0.611 1.00 0.00 C ATOM 1509 CG LEU B 5 -4.275 10.504 0.063 1.00 0.00 C ATOM 1510 CD1 LEU B 5 -3.361 11.437 0.870 1.00 0.00 C ATOM 1511 CD2 LEU B 5 -3.721 9.078 0.206 1.00 0.00 C ATOM 0 H LEU B 5 -7.443 11.096 -1.150 1.00 0.00 H new ATOM 0 HA LEU B 5 -6.209 8.780 -0.257 1.00 0.00 H new ATOM 0 HB2 LEU B 5 -6.063 11.659 0.315 1.00 0.00 H new ATOM 0 HB3 LEU B 5 -5.648 10.667 1.700 1.00 0.00 H new ATOM 0 HG LEU B 5 -4.306 10.733 -1.002 1.00 0.00 H new ATOM 0 HD11 LEU B 5 -2.337 11.344 0.509 1.00 0.00 H new ATOM 0 HD12 LEU B 5 -3.696 12.467 0.751 1.00 0.00 H new ATOM 0 HD13 LEU B 5 -3.400 11.163 1.924 1.00 0.00 H new ATOM 0 HD21 LEU B 5 -2.712 9.037 -0.203 1.00 0.00 H new ATOM 0 HD22 LEU B 5 -3.697 8.801 1.260 1.00 0.00 H new ATOM 0 HD23 LEU B 5 -4.361 8.383 -0.337 1.00 0.00 H new ATOM 1523 N ASP B 6 -8.542 9.899 1.839 1.00 0.00 N ATOM 1524 CA ASP B 6 -9.289 9.506 3.027 1.00 0.00 C ATOM 1525 C ASP B 6 -9.984 8.172 2.773 1.00 0.00 C ATOM 1526 O ASP B 6 -9.969 7.296 3.631 1.00 0.00 O ATOM 1527 CB ASP B 6 -10.302 10.573 3.453 1.00 0.00 C ATOM 1528 CG ASP B 6 -10.920 10.215 4.803 1.00 0.00 C ATOM 1529 OD1 ASP B 6 -10.163 10.232 5.800 1.00 0.00 O ATOM 1530 OD2 ASP B 6 -12.138 9.934 4.809 1.00 0.00 O ATOM 0 H ASP B 6 -8.857 10.765 1.402 1.00 0.00 H new ATOM 0 HA ASP B 6 -8.582 9.399 3.850 1.00 0.00 H new ATOM 0 HB2 ASP B 6 -9.811 11.544 3.517 1.00 0.00 H new ATOM 0 HB3 ASP B 6 -11.085 10.661 2.700 1.00 0.00 H new ATOM 1535 N GLN B 7 -10.564 8.004 1.582 1.00 0.00 N ATOM 1536 CA GLN B 7 -11.167 6.743 1.180 1.00 0.00 C ATOM 1537 C GLN B 7 -10.119 5.624 1.143 1.00 0.00 C ATOM 1538 O GLN B 7 -10.377 4.527 1.636 1.00 0.00 O ATOM 1539 CB GLN B 7 -11.883 6.919 -0.167 1.00 0.00 C ATOM 1540 CG GLN B 7 -12.505 5.627 -0.721 1.00 0.00 C ATOM 1541 CD GLN B 7 -13.552 5.010 0.205 1.00 0.00 C ATOM 1542 OE1 GLN B 7 -14.745 5.228 0.031 1.00 0.00 O ATOM 1543 NE2 GLN B 7 -13.125 4.219 1.186 1.00 0.00 N ATOM 0 H GLN B 7 -10.626 8.738 0.876 1.00 0.00 H new ATOM 0 HA GLN B 7 -11.913 6.446 1.917 1.00 0.00 H new ATOM 0 HB2 GLN B 7 -12.667 7.668 -0.054 1.00 0.00 H new ATOM 0 HB3 GLN B 7 -11.172 7.309 -0.896 1.00 0.00 H new ATOM 0 HG2 GLN B 7 -12.965 5.839 -1.686 1.00 0.00 H new ATOM 0 HG3 GLN B 7 -11.714 4.899 -0.898 1.00 0.00 H new ATOM 0 HE21 GLN B 7 -12.126 4.054 1.310 1.00 0.00 H new ATOM 0 HE22 GLN B 7 -13.797 3.778 1.814 1.00 0.00 H new ATOM 1552 N ALA B 8 -8.955 5.868 0.539 1.00 0.00 N ATOM 1553 CA ALA B 8 -7.905 4.864 0.398 1.00 0.00 C ATOM 1554 C ALA B 8 -7.353 4.438 1.768 1.00 0.00 C ATOM 1555 O ALA B 8 -7.219 3.252 2.070 1.00 0.00 O ATOM 1556 CB ALA B 8 -6.808 5.420 -0.507 1.00 0.00 C ATOM 0 H ALA B 8 -8.715 6.772 0.133 1.00 0.00 H new ATOM 0 HA ALA B 8 -8.320 3.966 -0.060 1.00 0.00 H new ATOM 0 HB1 ALA B 8 -6.018 4.678 -0.619 1.00 0.00 H new ATOM 0 HB2 ALA B 8 -7.227 5.654 -1.485 1.00 0.00 H new ATOM 0 HB3 ALA B 8 -6.394 6.326 -0.063 1.00 0.00 H new ATOM 1562 N ILE B 9 -7.058 5.416 2.623 1.00 0.00 N ATOM 1563 CA ILE B 9 -6.697 5.199 4.016 1.00 0.00 C ATOM 1564 C ILE B 9 -7.817 4.396 4.685 1.00 0.00 C ATOM 1565 O ILE B 9 -7.559 3.364 5.301 1.00 0.00 O ATOM 1566 CB ILE B 9 -6.444 6.561 4.693 1.00 0.00 C ATOM 1567 CG1 ILE B 9 -5.136 7.172 4.157 1.00 0.00 C ATOM 1568 CG2 ILE B 9 -6.382 6.428 6.218 1.00 0.00 C ATOM 1569 CD1 ILE B 9 -4.990 8.653 4.519 1.00 0.00 C ATOM 0 H ILE B 9 -7.065 6.401 2.357 1.00 0.00 H new ATOM 0 HA ILE B 9 -5.775 4.624 4.108 1.00 0.00 H new ATOM 0 HB ILE B 9 -7.278 7.220 4.454 1.00 0.00 H new ATOM 0 HG12 ILE B 9 -4.288 6.618 4.559 1.00 0.00 H new ATOM 0 HG13 ILE B 9 -5.104 7.061 3.073 1.00 0.00 H new ATOM 0 HG21 ILE B 9 -6.202 7.407 6.662 1.00 0.00 H new ATOM 0 HG22 ILE B 9 -7.327 6.030 6.587 1.00 0.00 H new ATOM 0 HG23 ILE B 9 -5.572 5.752 6.492 1.00 0.00 H new ATOM 0 HD11 ILE B 9 -4.051 9.035 4.117 1.00 0.00 H new ATOM 0 HD12 ILE B 9 -5.822 9.215 4.094 1.00 0.00 H new ATOM 0 HD13 ILE B 9 -4.993 8.765 5.603 1.00 0.00 H new ATOM 1581 N GLY B 10 -9.060 4.857 4.531 1.00 0.00 N ATOM 1582 CA GLY B 10 -10.262 4.190 5.004 1.00 0.00 C ATOM 1583 C GLY B 10 -10.276 2.716 4.607 1.00 0.00 C ATOM 1584 O GLY B 10 -10.558 1.862 5.440 1.00 0.00 O ATOM 0 H GLY B 10 -9.258 5.737 4.055 1.00 0.00 H new ATOM 0 HA2 GLY B 10 -10.325 4.276 6.089 1.00 0.00 H new ATOM 0 HA3 GLY B 10 -11.141 4.687 4.593 1.00 0.00 H new ATOM 1588 N LEU B 11 -9.949 2.411 3.350 1.00 0.00 N ATOM 1589 CA LEU B 11 -9.784 1.046 2.876 1.00 0.00 C ATOM 1590 C LEU B 11 -8.740 0.309 3.722 1.00 0.00 C ATOM 1591 O LEU B 11 -9.064 -0.717 4.310 1.00 0.00 O ATOM 1592 CB LEU B 11 -9.454 1.035 1.372 1.00 0.00 C ATOM 1593 CG LEU B 11 -10.717 0.932 0.503 1.00 0.00 C ATOM 1594 CD1 LEU B 11 -10.510 1.621 -0.851 1.00 0.00 C ATOM 1595 CD2 LEU B 11 -11.058 -0.543 0.265 1.00 0.00 C ATOM 0 H LEU B 11 -9.791 3.115 2.629 1.00 0.00 H new ATOM 0 HA LEU B 11 -10.723 0.505 2.995 1.00 0.00 H new ATOM 0 HB2 LEU B 11 -8.910 1.944 1.114 1.00 0.00 H new ATOM 0 HB3 LEU B 11 -8.794 0.196 1.152 1.00 0.00 H new ATOM 0 HG LEU B 11 -11.533 1.428 1.028 1.00 0.00 H new ATOM 0 HD11 LEU B 11 -11.419 1.533 -1.446 1.00 0.00 H new ATOM 0 HD12 LEU B 11 -10.281 2.675 -0.692 1.00 0.00 H new ATOM 0 HD13 LEU B 11 -9.683 1.145 -1.379 1.00 0.00 H new ATOM 0 HD21 LEU B 11 -11.954 -0.614 -0.351 1.00 0.00 H new ATOM 0 HD22 LEU B 11 -10.227 -1.031 -0.245 1.00 0.00 H new ATOM 0 HD23 LEU B 11 -11.236 -1.034 1.222 1.00 0.00 H new ATOM 1607 N LEU B 12 -7.502 0.808 3.818 1.00 0.00 N ATOM 1608 CA LEU B 12 -6.454 0.121 4.584 1.00 0.00 C ATOM 1609 C LEU B 12 -6.862 -0.105 6.051 1.00 0.00 C ATOM 1610 O LEU B 12 -6.636 -1.189 6.601 1.00 0.00 O ATOM 1611 CB LEU B 12 -5.107 0.860 4.473 1.00 0.00 C ATOM 1612 CG LEU B 12 -4.264 0.379 3.277 1.00 0.00 C ATOM 1613 CD1 LEU B 12 -4.952 0.638 1.937 1.00 0.00 C ATOM 1614 CD2 LEU B 12 -2.907 1.088 3.266 1.00 0.00 C ATOM 0 H LEU B 12 -7.202 1.678 3.379 1.00 0.00 H new ATOM 0 HA LEU B 12 -6.326 -0.866 4.141 1.00 0.00 H new ATOM 0 HB2 LEU B 12 -5.291 1.930 4.376 1.00 0.00 H new ATOM 0 HB3 LEU B 12 -4.541 0.716 5.393 1.00 0.00 H new ATOM 0 HG LEU B 12 -4.137 -0.697 3.399 1.00 0.00 H new ATOM 0 HD11 LEU B 12 -4.317 0.281 1.127 1.00 0.00 H new ATOM 0 HD12 LEU B 12 -5.906 0.111 1.910 1.00 0.00 H new ATOM 0 HD13 LEU B 12 -5.125 1.708 1.818 1.00 0.00 H new ATOM 0 HD21 LEU B 12 -2.321 0.739 2.416 1.00 0.00 H new ATOM 0 HD22 LEU B 12 -3.059 2.164 3.184 1.00 0.00 H new ATOM 0 HD23 LEU B 12 -2.373 0.866 4.190 1.00 0.00 H new ATOM 1626 N ILE B 13 -7.457 0.905 6.691 1.00 0.00 N ATOM 1627 CA ILE B 13 -7.980 0.792 8.053 1.00 0.00 C ATOM 1628 C ILE B 13 -9.078 -0.273 8.124 1.00 0.00 C ATOM 1629 O ILE B 13 -9.024 -1.169 8.964 1.00 0.00 O ATOM 1630 CB ILE B 13 -8.512 2.147 8.557 1.00 0.00 C ATOM 1631 CG1 ILE B 13 -7.364 3.165 8.652 1.00 0.00 C ATOM 1632 CG2 ILE B 13 -9.200 1.979 9.926 1.00 0.00 C ATOM 1633 CD1 ILE B 13 -7.894 4.561 8.978 1.00 0.00 C ATOM 0 H ILE B 13 -7.590 1.827 6.276 1.00 0.00 H new ATOM 0 HA ILE B 13 -7.159 0.488 8.702 1.00 0.00 H new ATOM 0 HB ILE B 13 -9.249 2.520 7.846 1.00 0.00 H new ATOM 0 HG12 ILE B 13 -6.658 2.852 9.421 1.00 0.00 H new ATOM 0 HG13 ILE B 13 -6.817 3.191 7.709 1.00 0.00 H new ATOM 0 HG21 ILE B 13 -9.570 2.945 10.268 1.00 0.00 H new ATOM 0 HG22 ILE B 13 -10.034 1.284 9.831 1.00 0.00 H new ATOM 0 HG23 ILE B 13 -8.483 1.589 10.648 1.00 0.00 H new ATOM 0 HD11 ILE B 13 -7.061 5.261 9.039 1.00 0.00 H new ATOM 0 HD12 ILE B 13 -8.581 4.882 8.195 1.00 0.00 H new ATOM 0 HD13 ILE B 13 -8.419 4.537 9.933 1.00 0.00 H new ATOM 1645 N GLY B 14 -10.097 -0.153 7.274 1.00 0.00 N ATOM 1646 CA GLY B 14 -11.237 -1.051 7.247 1.00 0.00 C ATOM 1647 C GLY B 14 -10.755 -2.486 7.090 1.00 0.00 C ATOM 1648 O GLY B 14 -11.106 -3.353 7.883 1.00 0.00 O ATOM 0 H GLY B 14 -10.149 0.587 6.574 1.00 0.00 H new ATOM 0 HA2 GLY B 14 -11.814 -0.949 8.166 1.00 0.00 H new ATOM 0 HA3 GLY B 14 -11.900 -0.788 6.423 1.00 0.00 H new ATOM 1652 N ILE B 15 -9.905 -2.712 6.088 1.00 0.00 N ATOM 1653 CA ILE B 15 -9.223 -3.974 5.863 1.00 0.00 C ATOM 1654 C ILE B 15 -8.599 -4.477 7.162 1.00 0.00 C ATOM 1655 O ILE B 15 -8.854 -5.608 7.564 1.00 0.00 O ATOM 1656 CB ILE B 15 -8.167 -3.793 4.760 1.00 0.00 C ATOM 1657 CG1 ILE B 15 -8.829 -3.652 3.377 1.00 0.00 C ATOM 1658 CG2 ILE B 15 -7.140 -4.930 4.795 1.00 0.00 C ATOM 1659 CD1 ILE B 15 -9.312 -4.974 2.782 1.00 0.00 C ATOM 0 H ILE B 15 -9.670 -2.000 5.396 1.00 0.00 H new ATOM 0 HA ILE B 15 -9.939 -4.726 5.533 1.00 0.00 H new ATOM 0 HB ILE B 15 -7.628 -2.865 4.951 1.00 0.00 H new ATOM 0 HG12 ILE B 15 -9.676 -2.971 3.459 1.00 0.00 H new ATOM 0 HG13 ILE B 15 -8.117 -3.194 2.690 1.00 0.00 H new ATOM 0 HG21 ILE B 15 -6.404 -4.780 4.005 1.00 0.00 H new ATOM 0 HG22 ILE B 15 -6.638 -4.937 5.763 1.00 0.00 H new ATOM 0 HG23 ILE B 15 -7.647 -5.883 4.642 1.00 0.00 H new ATOM 0 HD11 ILE B 15 -9.766 -4.790 1.808 1.00 0.00 H new ATOM 0 HD12 ILE B 15 -8.466 -5.651 2.666 1.00 0.00 H new ATOM 0 HD13 ILE B 15 -10.049 -5.425 3.447 1.00 0.00 H new ATOM 1671 N PHE B 16 -7.771 -3.648 7.806 1.00 0.00 N ATOM 1672 CA PHE B 16 -7.122 -4.031 9.049 1.00 0.00 C ATOM 1673 C PHE B 16 -8.160 -4.509 10.062 1.00 0.00 C ATOM 1674 O PHE B 16 -8.156 -5.664 10.486 1.00 0.00 O ATOM 1675 CB PHE B 16 -6.323 -2.842 9.593 1.00 0.00 C ATOM 1676 CG PHE B 16 -5.475 -3.131 10.812 1.00 0.00 C ATOM 1677 CD1 PHE B 16 -4.448 -4.086 10.739 1.00 0.00 C ATOM 1678 CD2 PHE B 16 -5.625 -2.355 11.976 1.00 0.00 C ATOM 1679 CE1 PHE B 16 -3.529 -4.212 11.793 1.00 0.00 C ATOM 1680 CE2 PHE B 16 -4.703 -2.482 13.027 1.00 0.00 C ATOM 1681 CZ PHE B 16 -3.657 -3.416 12.939 1.00 0.00 C ATOM 0 H PHE B 16 -7.539 -2.709 7.481 1.00 0.00 H new ATOM 0 HA PHE B 16 -6.435 -4.856 8.864 1.00 0.00 H new ATOM 0 HB2 PHE B 16 -5.674 -2.469 8.800 1.00 0.00 H new ATOM 0 HB3 PHE B 16 -7.019 -2.040 9.838 1.00 0.00 H new ATOM 0 HD1 PHE B 16 -4.365 -4.724 9.872 1.00 0.00 H new ATOM 0 HD2 PHE B 16 -6.449 -1.662 12.061 1.00 0.00 H new ATOM 0 HE1 PHE B 16 -2.721 -4.925 11.720 1.00 0.00 H new ATOM 0 HE2 PHE B 16 -4.798 -1.860 13.905 1.00 0.00 H new ATOM 0 HZ PHE B 16 -2.954 -3.520 13.752 1.00 0.00 H new ATOM 1691 N HIS B 17 -9.070 -3.610 10.438 1.00 0.00 N ATOM 1692 CA HIS B 17 -9.991 -3.860 11.532 1.00 0.00 C ATOM 1693 C HIS B 17 -11.076 -4.877 11.161 1.00 0.00 C ATOM 1694 O HIS B 17 -11.749 -5.381 12.055 1.00 0.00 O ATOM 1695 CB HIS B 17 -10.549 -2.532 12.051 1.00 0.00 C ATOM 1696 CG HIS B 17 -11.206 -2.645 13.404 1.00 0.00 C ATOM 1697 ND1 HIS B 17 -10.580 -2.910 14.608 1.00 0.00 N ATOM 1698 CD2 HIS B 17 -12.535 -2.438 13.665 1.00 0.00 C ATOM 1699 CE1 HIS B 17 -11.520 -2.837 15.565 1.00 0.00 C ATOM 1700 NE2 HIS B 17 -12.725 -2.557 15.042 1.00 0.00 N ATOM 0 H HIS B 17 -9.184 -2.699 9.994 1.00 0.00 H new ATOM 0 HA HIS B 17 -9.445 -4.329 12.351 1.00 0.00 H new ATOM 0 HB2 HIS B 17 -9.740 -1.804 12.108 1.00 0.00 H new ATOM 0 HB3 HIS B 17 -11.274 -2.147 11.334 1.00 0.00 H new ATOM 0 HD2 HIS B 17 -13.300 -2.221 12.934 1.00 0.00 H new ATOM 0 HE1 HIS B 17 -11.331 -2.984 16.618 1.00 0.00 H new ATOM 0 HE2 HIS B 17 -13.603 -2.452 15.550 1.00 0.00 H new ATOM 1708 N LYS B 18 -11.246 -5.219 9.877 1.00 0.00 N ATOM 1709 CA LYS B 18 -12.088 -6.339 9.473 1.00 0.00 C ATOM 1710 C LYS B 18 -11.617 -7.599 10.205 1.00 0.00 C ATOM 1711 O LYS B 18 -12.429 -8.345 10.750 1.00 0.00 O ATOM 1712 CB LYS B 18 -12.030 -6.515 7.948 1.00 0.00 C ATOM 1713 CG LYS B 18 -12.966 -7.614 7.431 1.00 0.00 C ATOM 1714 CD LYS B 18 -12.854 -7.702 5.902 1.00 0.00 C ATOM 1715 CE LYS B 18 -13.809 -8.745 5.310 1.00 0.00 C ATOM 1716 NZ LYS B 18 -13.540 -10.102 5.818 1.00 0.00 N ATOM 0 H LYS B 18 -10.805 -4.728 9.099 1.00 0.00 H new ATOM 0 HA LYS B 18 -13.127 -6.148 9.741 1.00 0.00 H new ATOM 0 HB2 LYS B 18 -12.290 -5.571 7.470 1.00 0.00 H new ATOM 0 HB3 LYS B 18 -11.007 -6.750 7.654 1.00 0.00 H new ATOM 0 HG2 LYS B 18 -12.704 -8.571 7.881 1.00 0.00 H new ATOM 0 HG3 LYS B 18 -13.994 -7.396 7.719 1.00 0.00 H new ATOM 0 HD2 LYS B 18 -13.070 -6.726 5.467 1.00 0.00 H new ATOM 0 HD3 LYS B 18 -11.829 -7.954 5.628 1.00 0.00 H new ATOM 0 HE2 LYS B 18 -14.837 -8.468 5.546 1.00 0.00 H new ATOM 0 HE3 LYS B 18 -13.719 -8.742 4.224 1.00 0.00 H new ATOM 0 HZ1 LYS B 18 -14.153 -10.784 5.327 1.00 0.00 H new ATOM 0 HZ2 LYS B 18 -12.544 -10.346 5.646 1.00 0.00 H new ATOM 0 HZ3 LYS B 18 -13.733 -10.135 6.839 1.00 0.00 H new ATOM 1730 N TYR B 19 -10.299 -7.815 10.255 1.00 0.00 N ATOM 1731 CA TYR B 19 -9.704 -8.861 11.071 1.00 0.00 C ATOM 1732 C TYR B 19 -9.334 -8.172 12.385 1.00 0.00 C ATOM 1733 O TYR B 19 -8.171 -7.874 12.637 1.00 0.00 O ATOM 1734 CB TYR B 19 -8.532 -9.505 10.311 1.00 0.00 C ATOM 1735 CG TYR B 19 -8.929 -9.999 8.925 1.00 0.00 C ATOM 1736 CD1 TYR B 19 -9.507 -11.271 8.745 1.00 0.00 C ATOM 1737 CD2 TYR B 19 -8.915 -9.092 7.849 1.00 0.00 C ATOM 1738 CE1 TYR B 19 -10.121 -11.600 7.524 1.00 0.00 C ATOM 1739 CE2 TYR B 19 -9.499 -9.433 6.619 1.00 0.00 C ATOM 1740 CZ TYR B 19 -10.133 -10.676 6.469 1.00 0.00 C ATOM 1741 OH TYR B 19 -10.814 -10.974 5.326 1.00 0.00 O ATOM 0 H TYR B 19 -9.620 -7.266 9.728 1.00 0.00 H new ATOM 0 HA TYR B 19 -10.367 -9.698 11.289 1.00 0.00 H new ATOM 0 HB2 TYR B 19 -7.724 -8.780 10.216 1.00 0.00 H new ATOM 0 HB3 TYR B 19 -8.143 -10.341 10.892 1.00 0.00 H new ATOM 0 HD1 TYR B 19 -9.478 -11.995 9.546 1.00 0.00 H new ATOM 0 HD2 TYR B 19 -8.451 -8.125 7.971 1.00 0.00 H new ATOM 0 HE1 TYR B 19 -10.585 -12.567 7.398 1.00 0.00 H new ATOM 0 HE2 TYR B 19 -9.461 -8.741 5.791 1.00 0.00 H new ATOM 0 HH TYR B 19 -10.880 -10.172 4.766 1.00 0.00 H new ATOM 1751 N SER B 20 -10.370 -7.869 13.181 1.00 0.00 N ATOM 1752 CA SER B 20 -10.357 -7.003 14.357 1.00 0.00 C ATOM 1753 C SER B 20 -9.423 -7.471 15.476 1.00 0.00 C ATOM 1754 O SER B 20 -9.897 -7.874 16.538 1.00 0.00 O ATOM 1755 CB SER B 20 -11.798 -6.872 14.873 1.00 0.00 C ATOM 1756 OG SER B 20 -12.285 -8.148 15.241 1.00 0.00 O ATOM 0 H SER B 20 -11.299 -8.251 13.004 1.00 0.00 H new ATOM 0 HA SER B 20 -9.957 -6.038 14.046 1.00 0.00 H new ATOM 0 HB2 SER B 20 -11.829 -6.198 15.729 1.00 0.00 H new ATOM 0 HB3 SER B 20 -12.434 -6.437 14.102 1.00 0.00 H new ATOM 0 HG SER B 20 -11.734 -8.512 15.965 1.00 0.00 H new ATOM 1847 N HIS B 27 -6.670 -3.404 17.511 1.00 0.00 N ATOM 1848 CA HIS B 27 -5.829 -2.765 16.501 1.00 0.00 C ATOM 1849 C HIS B 27 -4.398 -3.334 16.513 1.00 0.00 C ATOM 1850 O HIS B 27 -3.467 -2.674 16.050 1.00 0.00 O ATOM 1851 CB HIS B 27 -5.870 -1.233 16.654 1.00 0.00 C ATOM 1852 CG HIS B 27 -5.312 -0.684 17.946 1.00 0.00 C ATOM 1853 ND1 HIS B 27 -6.038 -0.054 18.931 1.00 0.00 N ATOM 1854 CD2 HIS B 27 -3.988 -0.576 18.286 1.00 0.00 C ATOM 1855 CE1 HIS B 27 -5.175 0.370 19.869 1.00 0.00 C ATOM 1856 NE2 HIS B 27 -3.915 0.070 19.520 1.00 0.00 N ATOM 0 HA HIS B 27 -6.233 -2.997 15.516 1.00 0.00 H new ATOM 0 HB2 HIS B 27 -5.318 -0.790 15.825 1.00 0.00 H new ATOM 0 HB3 HIS B 27 -6.905 -0.905 16.560 1.00 0.00 H new ATOM 0 HD1 HIS B 27 -7.050 0.069 18.946 1.00 0.00 H new ATOM 0 HD2 HIS B 27 -3.151 -0.928 17.702 1.00 0.00 H new ATOM 0 HE1 HIS B 27 -5.456 0.881 20.778 1.00 0.00 H new ATOM 1864 N THR B 28 -4.215 -4.559 17.015 1.00 0.00 N ATOM 1865 CA THR B 28 -2.946 -5.279 17.019 1.00 0.00 C ATOM 1866 C THR B 28 -3.208 -6.712 16.562 1.00 0.00 C ATOM 1867 O THR B 28 -4.266 -7.246 16.881 1.00 0.00 O ATOM 1868 CB THR B 28 -2.345 -5.289 18.431 1.00 0.00 C ATOM 1869 OG1 THR B 28 -3.226 -5.902 19.355 1.00 0.00 O ATOM 1870 CG2 THR B 28 -2.015 -3.882 18.931 1.00 0.00 C ATOM 0 H THR B 28 -4.973 -5.091 17.443 1.00 0.00 H new ATOM 0 HA THR B 28 -2.241 -4.789 16.348 1.00 0.00 H new ATOM 0 HB THR B 28 -1.420 -5.861 18.362 1.00 0.00 H new ATOM 0 HG1 THR B 28 -3.095 -6.873 19.337 1.00 0.00 H new ATOM 0 HG21 THR B 28 -1.593 -3.942 19.934 1.00 0.00 H new ATOM 0 HG22 THR B 28 -1.292 -3.418 18.260 1.00 0.00 H new ATOM 0 HG23 THR B 28 -2.925 -3.282 18.956 1.00 0.00 H new ATOM 1878 N LEU B 29 -2.288 -7.343 15.831 1.00 0.00 N ATOM 1879 CA LEU B 29 -2.509 -8.697 15.336 1.00 0.00 C ATOM 1880 C LEU B 29 -1.181 -9.392 15.057 1.00 0.00 C ATOM 1881 O LEU B 29 -0.158 -8.717 14.995 1.00 0.00 O ATOM 1882 CB LEU B 29 -3.451 -8.676 14.124 1.00 0.00 C ATOM 1883 CG LEU B 29 -3.256 -7.557 13.091 1.00 0.00 C ATOM 1884 CD1 LEU B 29 -1.918 -7.699 12.364 1.00 0.00 C ATOM 1885 CD2 LEU B 29 -4.401 -7.637 12.076 1.00 0.00 C ATOM 0 H LEU B 29 -1.388 -6.939 15.571 1.00 0.00 H new ATOM 0 HA LEU B 29 -3.006 -9.288 16.105 1.00 0.00 H new ATOM 0 HB2 LEU B 29 -3.355 -9.631 13.607 1.00 0.00 H new ATOM 0 HB3 LEU B 29 -4.474 -8.616 14.495 1.00 0.00 H new ATOM 0 HG LEU B 29 -3.257 -6.595 13.603 1.00 0.00 H new ATOM 0 HD11 LEU B 29 -1.810 -6.892 11.639 1.00 0.00 H new ATOM 0 HD12 LEU B 29 -1.104 -7.649 13.087 1.00 0.00 H new ATOM 0 HD13 LEU B 29 -1.885 -8.658 11.847 1.00 0.00 H new ATOM 0 HD21 LEU B 29 -4.283 -6.850 11.331 1.00 0.00 H new ATOM 0 HD22 LEU B 29 -4.383 -8.609 11.583 1.00 0.00 H new ATOM 0 HD23 LEU B 29 -5.353 -7.509 12.591 1.00 0.00 H new ATOM 1897 N SER B 30 -1.173 -10.725 14.932 1.00 0.00 N ATOM 1898 CA SER B 30 0.047 -11.504 14.745 1.00 0.00 C ATOM 1899 C SER B 30 -0.008 -12.305 13.434 1.00 0.00 C ATOM 1900 O SER B 30 -0.877 -12.095 12.583 1.00 0.00 O ATOM 1901 CB SER B 30 0.307 -12.378 15.987 1.00 0.00 C ATOM 1902 OG SER B 30 1.540 -13.071 15.904 1.00 0.00 O ATOM 0 H SER B 30 -2.020 -11.292 14.959 1.00 0.00 H new ATOM 0 HA SER B 30 0.899 -10.832 14.646 1.00 0.00 H new ATOM 0 HB2 SER B 30 0.304 -11.750 16.878 1.00 0.00 H new ATOM 0 HB3 SER B 30 -0.505 -13.096 16.100 1.00 0.00 H new ATOM 0 HG SER B 30 1.666 -13.611 16.712 1.00 0.00 H new ATOM 1908 N LYS B 31 0.947 -13.224 13.287 1.00 0.00 N ATOM 1909 CA LYS B 31 1.243 -13.992 12.087 1.00 0.00 C ATOM 1910 C LYS B 31 -0.001 -14.592 11.437 1.00 0.00 C ATOM 1911 O LYS B 31 -0.206 -14.423 10.238 1.00 0.00 O ATOM 1912 CB LYS B 31 2.329 -15.053 12.352 1.00 0.00 C ATOM 1913 CG LYS B 31 2.355 -15.696 13.746 1.00 0.00 C ATOM 1914 CD LYS B 31 3.529 -16.685 13.811 1.00 0.00 C ATOM 1915 CE LYS B 31 3.852 -17.113 15.248 1.00 0.00 C ATOM 1916 NZ LYS B 31 4.365 -15.991 16.057 1.00 0.00 N ATOM 0 H LYS B 31 1.573 -13.464 14.056 1.00 0.00 H new ATOM 0 HA LYS B 31 1.643 -13.286 11.359 1.00 0.00 H new ATOM 0 HB2 LYS B 31 2.212 -15.848 11.615 1.00 0.00 H new ATOM 0 HB3 LYS B 31 3.301 -14.594 12.173 1.00 0.00 H new ATOM 0 HG2 LYS B 31 2.464 -14.930 14.514 1.00 0.00 H new ATOM 0 HG3 LYS B 31 1.415 -16.212 13.942 1.00 0.00 H new ATOM 0 HD2 LYS B 31 3.291 -17.567 13.217 1.00 0.00 H new ATOM 0 HD3 LYS B 31 4.411 -16.228 13.364 1.00 0.00 H new ATOM 0 HE2 LYS B 31 2.954 -17.517 15.716 1.00 0.00 H new ATOM 0 HE3 LYS B 31 4.591 -17.914 15.230 1.00 0.00 H new ATOM 0 HZ1 LYS B 31 4.977 -16.359 16.813 1.00 0.00 H new ATOM 0 HZ2 LYS B 31 4.913 -15.348 15.451 1.00 0.00 H new ATOM 0 HZ3 LYS B 31 3.567 -15.474 16.479 1.00 0.00 H new ATOM 1930 N LYS B 32 -0.830 -15.291 12.215 1.00 0.00 N ATOM 1931 CA LYS B 32 -2.032 -15.920 11.696 1.00 0.00 C ATOM 1932 C LYS B 32 -2.912 -14.884 10.993 1.00 0.00 C ATOM 1933 O LYS B 32 -3.308 -15.071 9.843 1.00 0.00 O ATOM 1934 CB LYS B 32 -2.764 -16.596 12.858 1.00 0.00 C ATOM 1935 CG LYS B 32 -3.889 -17.520 12.382 1.00 0.00 C ATOM 1936 CD LYS B 32 -4.457 -18.315 13.562 1.00 0.00 C ATOM 1937 CE LYS B 32 -5.249 -17.433 14.537 1.00 0.00 C ATOM 1938 NZ LYS B 32 -5.885 -18.242 15.592 1.00 0.00 N ATOM 0 H LYS B 32 -0.683 -15.433 13.214 1.00 0.00 H new ATOM 0 HA LYS B 32 -1.777 -16.676 10.953 1.00 0.00 H new ATOM 0 HB2 LYS B 32 -2.050 -17.171 13.448 1.00 0.00 H new ATOM 0 HB3 LYS B 32 -3.179 -15.832 13.516 1.00 0.00 H new ATOM 0 HG2 LYS B 32 -4.680 -16.932 11.916 1.00 0.00 H new ATOM 0 HG3 LYS B 32 -3.511 -18.204 11.622 1.00 0.00 H new ATOM 0 HD2 LYS B 32 -5.105 -19.106 13.185 1.00 0.00 H new ATOM 0 HD3 LYS B 32 -3.640 -18.799 14.097 1.00 0.00 H new ATOM 0 HE2 LYS B 32 -4.583 -16.699 14.990 1.00 0.00 H new ATOM 0 HE3 LYS B 32 -6.012 -16.878 13.991 1.00 0.00 H new ATOM 0 HZ1 LYS B 32 -6.413 -17.619 16.236 1.00 0.00 H new ATOM 0 HZ2 LYS B 32 -6.538 -18.926 15.159 1.00 0.00 H new ATOM 0 HZ3 LYS B 32 -5.153 -18.752 16.127 1.00 0.00 H new ATOM 1952 N GLU B 33 -3.209 -13.781 11.685 1.00 0.00 N ATOM 1953 CA GLU B 33 -4.044 -12.730 11.134 1.00 0.00 C ATOM 1954 C GLU B 33 -3.363 -12.018 9.965 1.00 0.00 C ATOM 1955 O GLU B 33 -4.057 -11.634 9.032 1.00 0.00 O ATOM 1956 CB GLU B 33 -4.444 -11.740 12.223 1.00 0.00 C ATOM 1957 CG GLU B 33 -5.577 -12.271 13.107 1.00 0.00 C ATOM 1958 CD GLU B 33 -6.020 -11.213 14.112 1.00 0.00 C ATOM 1959 OE1 GLU B 33 -5.312 -11.056 15.131 1.00 0.00 O ATOM 1960 OE2 GLU B 33 -7.069 -10.581 13.859 1.00 0.00 O ATOM 0 H GLU B 33 -2.878 -13.600 12.632 1.00 0.00 H new ATOM 0 HA GLU B 33 -4.948 -13.195 10.742 1.00 0.00 H new ATOM 0 HB2 GLU B 33 -3.576 -11.517 12.844 1.00 0.00 H new ATOM 0 HB3 GLU B 33 -4.755 -10.803 11.762 1.00 0.00 H new ATOM 0 HG2 GLU B 33 -6.422 -12.565 12.485 1.00 0.00 H new ATOM 0 HG3 GLU B 33 -5.244 -13.164 13.635 1.00 0.00 H new ATOM 1967 N LEU B 34 -2.042 -11.823 9.981 1.00 0.00 N ATOM 1968 CA LEU B 34 -1.353 -11.239 8.828 1.00 0.00 C ATOM 1969 C LEU B 34 -1.459 -12.151 7.600 1.00 0.00 C ATOM 1970 O LEU B 34 -1.860 -11.702 6.523 1.00 0.00 O ATOM 1971 CB LEU B 34 0.119 -10.955 9.145 1.00 0.00 C ATOM 1972 CG LEU B 34 0.385 -9.722 10.022 1.00 0.00 C ATOM 1973 CD1 LEU B 34 1.901 -9.584 10.174 1.00 0.00 C ATOM 1974 CD2 LEU B 34 -0.154 -8.418 9.417 1.00 0.00 C ATOM 0 H LEU B 34 -1.436 -12.057 10.767 1.00 0.00 H new ATOM 0 HA LEU B 34 -1.846 -10.293 8.602 1.00 0.00 H new ATOM 0 HB2 LEU B 34 0.540 -11.829 9.642 1.00 0.00 H new ATOM 0 HB3 LEU B 34 0.657 -10.833 8.205 1.00 0.00 H new ATOM 0 HG LEU B 34 -0.127 -9.872 10.972 1.00 0.00 H new ATOM 0 HD11 LEU B 34 2.127 -8.716 10.793 1.00 0.00 H new ATOM 0 HD12 LEU B 34 2.302 -10.481 10.646 1.00 0.00 H new ATOM 0 HD13 LEU B 34 2.355 -9.457 9.191 1.00 0.00 H new ATOM 0 HD21 LEU B 34 0.068 -7.587 10.087 1.00 0.00 H new ATOM 0 HD22 LEU B 34 0.320 -8.242 8.451 1.00 0.00 H new ATOM 0 HD23 LEU B 34 -1.233 -8.498 9.283 1.00 0.00 H new ATOM 1986 N LYS B 35 -1.094 -13.430 7.748 1.00 0.00 N ATOM 1987 CA LYS B 35 -1.202 -14.409 6.674 1.00 0.00 C ATOM 1988 C LYS B 35 -2.646 -14.475 6.167 1.00 0.00 C ATOM 1989 O LYS B 35 -2.879 -14.473 4.958 1.00 0.00 O ATOM 1990 CB LYS B 35 -0.686 -15.780 7.133 1.00 0.00 C ATOM 1991 CG LYS B 35 0.851 -15.811 7.152 1.00 0.00 C ATOM 1992 CD LYS B 35 1.359 -17.158 7.677 1.00 0.00 C ATOM 1993 CE LYS B 35 2.869 -17.284 7.442 1.00 0.00 C ATOM 1994 NZ LYS B 35 3.402 -18.535 8.008 1.00 0.00 N ATOM 0 H LYS B 35 -0.717 -13.809 8.616 1.00 0.00 H new ATOM 0 HA LYS B 35 -0.573 -14.097 5.841 1.00 0.00 H new ATOM 0 HB2 LYS B 35 -1.070 -16.003 8.128 1.00 0.00 H new ATOM 0 HB3 LYS B 35 -1.061 -16.556 6.466 1.00 0.00 H new ATOM 0 HG2 LYS B 35 1.236 -15.638 6.147 1.00 0.00 H new ATOM 0 HG3 LYS B 35 1.228 -15.004 7.781 1.00 0.00 H new ATOM 0 HD2 LYS B 35 1.141 -17.247 8.741 1.00 0.00 H new ATOM 0 HD3 LYS B 35 0.837 -17.972 7.175 1.00 0.00 H new ATOM 0 HE2 LYS B 35 3.076 -17.251 6.372 1.00 0.00 H new ATOM 0 HE3 LYS B 35 3.380 -16.433 7.892 1.00 0.00 H new ATOM 0 HZ1 LYS B 35 4.425 -18.588 7.831 1.00 0.00 H new ATOM 0 HZ2 LYS B 35 3.226 -18.555 9.033 1.00 0.00 H new ATOM 0 HZ3 LYS B 35 2.931 -19.347 7.560 1.00 0.00 H new ATOM 2008 N GLU B 36 -3.618 -14.489 7.086 1.00 0.00 N ATOM 2009 CA GLU B 36 -5.022 -14.367 6.733 1.00 0.00 C ATOM 2010 C GLU B 36 -5.230 -13.105 5.888 1.00 0.00 C ATOM 2011 O GLU B 36 -5.553 -13.226 4.715 1.00 0.00 O ATOM 2012 CB GLU B 36 -5.892 -14.399 7.997 1.00 0.00 C ATOM 2013 CG GLU B 36 -7.393 -14.350 7.683 1.00 0.00 C ATOM 2014 CD GLU B 36 -8.254 -14.501 8.935 1.00 0.00 C ATOM 2015 OE1 GLU B 36 -7.756 -14.152 10.029 1.00 0.00 O ATOM 2016 OE2 GLU B 36 -9.408 -14.950 8.771 1.00 0.00 O ATOM 0 H GLU B 36 -3.447 -14.585 8.087 1.00 0.00 H new ATOM 0 HA GLU B 36 -5.334 -15.216 6.124 1.00 0.00 H new ATOM 0 HB2 GLU B 36 -5.672 -15.305 8.562 1.00 0.00 H new ATOM 0 HB3 GLU B 36 -5.630 -13.555 8.635 1.00 0.00 H new ATOM 0 HG2 GLU B 36 -7.629 -13.404 7.195 1.00 0.00 H new ATOM 0 HG3 GLU B 36 -7.640 -15.143 6.977 1.00 0.00 H new ATOM 2023 N LEU B 37 -5.034 -11.913 6.460 1.00 0.00 N ATOM 2024 CA LEU B 37 -5.180 -10.620 5.793 1.00 0.00 C ATOM 2025 C LEU B 37 -4.686 -10.674 4.352 1.00 0.00 C ATOM 2026 O LEU B 37 -5.456 -10.417 3.427 1.00 0.00 O ATOM 2027 CB LEU B 37 -4.409 -9.528 6.557 1.00 0.00 C ATOM 2028 CG LEU B 37 -5.304 -8.694 7.482 1.00 0.00 C ATOM 2029 CD1 LEU B 37 -4.449 -7.982 8.533 1.00 0.00 C ATOM 2030 CD2 LEU B 37 -6.055 -7.638 6.662 1.00 0.00 C ATOM 0 H LEU B 37 -4.759 -11.821 7.438 1.00 0.00 H new ATOM 0 HA LEU B 37 -6.243 -10.378 5.785 1.00 0.00 H new ATOM 0 HB2 LEU B 37 -3.621 -9.994 7.148 1.00 0.00 H new ATOM 0 HB3 LEU B 37 -3.922 -8.867 5.840 1.00 0.00 H new ATOM 0 HG LEU B 37 -6.015 -9.358 7.973 1.00 0.00 H new ATOM 0 HD11 LEU B 37 -5.092 -7.392 9.186 1.00 0.00 H new ATOM 0 HD12 LEU B 37 -3.911 -8.721 9.126 1.00 0.00 H new ATOM 0 HD13 LEU B 37 -3.735 -7.325 8.037 1.00 0.00 H new ATOM 0 HD21 LEU B 37 -6.690 -7.048 7.323 1.00 0.00 H new ATOM 0 HD22 LEU B 37 -5.337 -6.983 6.168 1.00 0.00 H new ATOM 0 HD23 LEU B 37 -6.673 -8.132 5.912 1.00 0.00 H new ATOM 2042 N ILE B 38 -3.405 -10.999 4.158 1.00 0.00 N ATOM 2043 CA ILE B 38 -2.832 -10.991 2.822 1.00 0.00 C ATOM 2044 C ILE B 38 -3.541 -12.023 1.933 1.00 0.00 C ATOM 2045 O ILE B 38 -3.939 -11.692 0.820 1.00 0.00 O ATOM 2046 CB ILE B 38 -1.293 -11.082 2.880 1.00 0.00 C ATOM 2047 CG1 ILE B 38 -0.649 -10.611 1.566 1.00 0.00 C ATOM 2048 CG2 ILE B 38 -0.793 -12.475 3.255 1.00 0.00 C ATOM 2049 CD1 ILE B 38 0.855 -10.355 1.708 1.00 0.00 C ATOM 0 H ILE B 38 -2.759 -11.266 4.900 1.00 0.00 H new ATOM 0 HA ILE B 38 -3.016 -10.035 2.332 1.00 0.00 H new ATOM 0 HB ILE B 38 -0.983 -10.407 3.678 1.00 0.00 H new ATOM 0 HG12 ILE B 38 -0.815 -11.362 0.794 1.00 0.00 H new ATOM 0 HG13 ILE B 38 -1.140 -9.697 1.232 1.00 0.00 H new ATOM 0 HG21 ILE B 38 0.297 -12.476 3.279 1.00 0.00 H new ATOM 0 HG22 ILE B 38 -1.178 -12.748 4.238 1.00 0.00 H new ATOM 0 HG23 ILE B 38 -1.140 -13.197 2.516 1.00 0.00 H new ATOM 0 HD11 ILE B 38 1.260 -10.025 0.751 1.00 0.00 H new ATOM 0 HD12 ILE B 38 1.023 -9.583 2.459 1.00 0.00 H new ATOM 0 HD13 ILE B 38 1.353 -11.275 2.015 1.00 0.00 H new ATOM 2061 N GLN B 39 -3.778 -13.247 2.422 1.00 0.00 N ATOM 2062 CA GLN B 39 -4.492 -14.261 1.651 1.00 0.00 C ATOM 2063 C GLN B 39 -5.885 -13.775 1.225 1.00 0.00 C ATOM 2064 O GLN B 39 -6.242 -13.868 0.052 1.00 0.00 O ATOM 2065 CB GLN B 39 -4.573 -15.563 2.462 1.00 0.00 C ATOM 2066 CG GLN B 39 -5.171 -16.719 1.647 1.00 0.00 C ATOM 2067 CD GLN B 39 -5.390 -17.957 2.510 1.00 0.00 C ATOM 2068 OE1 GLN B 39 -6.518 -18.402 2.695 1.00 0.00 O ATOM 2069 NE2 GLN B 39 -4.316 -18.522 3.054 1.00 0.00 N ATOM 0 H GLN B 39 -3.484 -13.555 3.349 1.00 0.00 H new ATOM 0 HA GLN B 39 -3.937 -14.453 0.733 1.00 0.00 H new ATOM 0 HB2 GLN B 39 -3.575 -15.839 2.803 1.00 0.00 H new ATOM 0 HB3 GLN B 39 -5.179 -15.397 3.352 1.00 0.00 H new ATOM 0 HG2 GLN B 39 -6.120 -16.406 1.211 1.00 0.00 H new ATOM 0 HG3 GLN B 39 -4.506 -16.964 0.819 1.00 0.00 H new ATOM 0 HE21 GLN B 39 -3.391 -18.129 2.882 1.00 0.00 H new ATOM 0 HE22 GLN B 39 -4.418 -19.348 3.643 1.00 0.00 H new ATOM 2078 N LYS B 40 -6.693 -13.306 2.179 1.00 0.00 N ATOM 2079 CA LYS B 40 -8.076 -12.922 1.931 1.00 0.00 C ATOM 2080 C LYS B 40 -8.136 -11.692 1.021 1.00 0.00 C ATOM 2081 O LYS B 40 -8.905 -11.660 0.064 1.00 0.00 O ATOM 2082 CB LYS B 40 -8.816 -12.590 3.243 1.00 0.00 C ATOM 2083 CG LYS B 40 -8.800 -13.589 4.411 1.00 0.00 C ATOM 2084 CD LYS B 40 -9.468 -14.946 4.194 1.00 0.00 C ATOM 2085 CE LYS B 40 -8.471 -15.958 3.614 1.00 0.00 C ATOM 2086 NZ LYS B 40 -9.064 -17.298 3.476 1.00 0.00 N ATOM 0 H LYS B 40 -6.400 -13.183 3.148 1.00 0.00 H new ATOM 0 HA LYS B 40 -8.561 -13.772 1.451 1.00 0.00 H new ATOM 0 HB2 LYS B 40 -8.409 -11.650 3.615 1.00 0.00 H new ATOM 0 HB3 LYS B 40 -9.860 -12.406 2.988 1.00 0.00 H new ATOM 0 HG2 LYS B 40 -7.760 -13.767 4.686 1.00 0.00 H new ATOM 0 HG3 LYS B 40 -9.279 -13.112 5.267 1.00 0.00 H new ATOM 0 HD2 LYS B 40 -9.862 -15.318 5.140 1.00 0.00 H new ATOM 0 HD3 LYS B 40 -10.315 -14.835 3.518 1.00 0.00 H new ATOM 0 HE2 LYS B 40 -8.128 -15.611 2.639 1.00 0.00 H new ATOM 0 HE3 LYS B 40 -7.594 -16.014 4.259 1.00 0.00 H new ATOM 0 HZ1 LYS B 40 -8.328 -17.976 3.194 1.00 0.00 H new ATOM 0 HZ2 LYS B 40 -9.475 -17.591 4.385 1.00 0.00 H new ATOM 0 HZ3 LYS B 40 -9.809 -17.275 2.751 1.00 0.00 H new ATOM 2100 N GLU B 41 -7.361 -10.657 1.362 1.00 0.00 N ATOM 2101 CA GLU B 41 -7.499 -9.329 0.783 1.00 0.00 C ATOM 2102 C GLU B 41 -6.527 -9.014 -0.352 1.00 0.00 C ATOM 2103 O GLU B 41 -6.772 -8.049 -1.071 1.00 0.00 O ATOM 2104 CB GLU B 41 -7.378 -8.280 1.893 1.00 0.00 C ATOM 2105 CG GLU B 41 -8.367 -8.503 3.047 1.00 0.00 C ATOM 2106 CD GLU B 41 -9.833 -8.496 2.617 1.00 0.00 C ATOM 2107 OE1 GLU B 41 -10.156 -7.755 1.663 1.00 0.00 O ATOM 2108 OE2 GLU B 41 -10.611 -9.220 3.276 1.00 0.00 O ATOM 0 H GLU B 41 -6.615 -10.725 2.055 1.00 0.00 H new ATOM 0 HA GLU B 41 -8.486 -9.303 0.321 1.00 0.00 H new ATOM 0 HB2 GLU B 41 -6.362 -8.293 2.287 1.00 0.00 H new ATOM 0 HB3 GLU B 41 -7.543 -7.290 1.468 1.00 0.00 H new ATOM 0 HG2 GLU B 41 -8.143 -9.457 3.525 1.00 0.00 H new ATOM 0 HG3 GLU B 41 -8.215 -7.727 3.798 1.00 0.00 H new ATOM 2115 N LEU B 42 -5.441 -9.774 -0.518 1.00 0.00 N ATOM 2116 CA LEU B 42 -4.542 -9.669 -1.664 1.00 0.00 C ATOM 2117 C LEU B 42 -4.567 -11.004 -2.396 1.00 0.00 C ATOM 2118 O LEU B 42 -3.658 -11.822 -2.277 1.00 0.00 O ATOM 2119 CB LEU B 42 -3.132 -9.247 -1.217 1.00 0.00 C ATOM 2120 CG LEU B 42 -3.060 -7.730 -0.995 1.00 0.00 C ATOM 2121 CD1 LEU B 42 -1.933 -7.361 -0.031 1.00 0.00 C ATOM 2122 CD2 LEU B 42 -2.827 -7.000 -2.321 1.00 0.00 C ATOM 0 H LEU B 42 -5.160 -10.490 0.152 1.00 0.00 H new ATOM 0 HA LEU B 42 -4.871 -8.890 -2.351 1.00 0.00 H new ATOM 0 HB2 LEU B 42 -2.867 -9.766 -0.296 1.00 0.00 H new ATOM 0 HB3 LEU B 42 -2.403 -9.543 -1.971 1.00 0.00 H new ATOM 0 HG LEU B 42 -4.014 -7.424 -0.565 1.00 0.00 H new ATOM 0 HD11 LEU B 42 -1.909 -6.280 0.104 1.00 0.00 H new ATOM 0 HD12 LEU B 42 -2.105 -7.844 0.931 1.00 0.00 H new ATOM 0 HD13 LEU B 42 -0.980 -7.696 -0.440 1.00 0.00 H new ATOM 0 HD21 LEU B 42 -2.779 -5.926 -2.142 1.00 0.00 H new ATOM 0 HD22 LEU B 42 -1.888 -7.336 -2.762 1.00 0.00 H new ATOM 0 HD23 LEU B 42 -3.647 -7.217 -3.005 1.00 0.00 H new ATOM 2243 N ASP B 50 8.479 -11.243 -6.059 1.00 0.00 N ATOM 2244 CA ASP B 50 8.937 -11.797 -4.788 1.00 0.00 C ATOM 2245 C ASP B 50 8.239 -11.214 -3.557 1.00 0.00 C ATOM 2246 O ASP B 50 7.922 -11.959 -2.638 1.00 0.00 O ATOM 2247 CB ASP B 50 10.453 -11.621 -4.648 1.00 0.00 C ATOM 2248 CG ASP B 50 11.229 -12.250 -5.800 1.00 0.00 C ATOM 2249 OD1 ASP B 50 11.069 -11.738 -6.931 1.00 0.00 O ATOM 2250 OD2 ASP B 50 11.956 -13.232 -5.535 1.00 0.00 O ATOM 0 HA ASP B 50 8.672 -12.854 -4.818 1.00 0.00 H new ATOM 0 HB2 ASP B 50 10.688 -10.558 -4.595 1.00 0.00 H new ATOM 0 HB3 ASP B 50 10.781 -12.067 -3.709 1.00 0.00 H new ATOM 2255 N ALA B 51 8.024 -9.897 -3.525 1.00 0.00 N ATOM 2256 CA ALA B 51 7.422 -9.150 -2.425 1.00 0.00 C ATOM 2257 C ALA B 51 6.416 -9.946 -1.596 1.00 0.00 C ATOM 2258 O ALA B 51 6.555 -10.039 -0.380 1.00 0.00 O ATOM 2259 CB ALA B 51 6.731 -7.917 -2.994 1.00 0.00 C ATOM 0 H ALA B 51 8.279 -9.294 -4.307 1.00 0.00 H new ATOM 0 HA ALA B 51 8.235 -8.890 -1.746 1.00 0.00 H new ATOM 0 HB1 ALA B 51 6.276 -7.348 -2.183 1.00 0.00 H new ATOM 0 HB2 ALA B 51 7.463 -7.294 -3.508 1.00 0.00 H new ATOM 0 HB3 ALA B 51 5.959 -8.225 -3.699 1.00 0.00 H new ATOM 2265 N GLU B 52 5.384 -10.500 -2.238 1.00 0.00 N ATOM 2266 CA GLU B 52 4.311 -11.175 -1.520 1.00 0.00 C ATOM 2267 C GLU B 52 4.814 -12.458 -0.854 1.00 0.00 C ATOM 2268 O GLU B 52 4.450 -12.766 0.281 1.00 0.00 O ATOM 2269 CB GLU B 52 3.119 -11.401 -2.459 1.00 0.00 C ATOM 2270 CG GLU B 52 1.888 -11.887 -1.680 1.00 0.00 C ATOM 2271 CD GLU B 52 0.580 -11.568 -2.400 1.00 0.00 C ATOM 2272 OE1 GLU B 52 0.319 -10.359 -2.587 1.00 0.00 O ATOM 2273 OE2 GLU B 52 -0.133 -12.534 -2.745 1.00 0.00 O ATOM 0 H GLU B 52 5.273 -10.492 -3.252 1.00 0.00 H new ATOM 0 HA GLU B 52 3.961 -10.540 -0.706 1.00 0.00 H new ATOM 0 HB2 GLU B 52 2.881 -10.474 -2.980 1.00 0.00 H new ATOM 0 HB3 GLU B 52 3.385 -12.135 -3.220 1.00 0.00 H new ATOM 0 HG2 GLU B 52 1.961 -12.963 -1.525 1.00 0.00 H new ATOM 0 HG3 GLU B 52 1.879 -11.423 -0.694 1.00 0.00 H new ATOM 2280 N ILE B 53 5.681 -13.189 -1.556 1.00 0.00 N ATOM 2281 CA ILE B 53 6.305 -14.395 -1.046 1.00 0.00 C ATOM 2282 C ILE B 53 7.126 -13.984 0.181 1.00 0.00 C ATOM 2283 O ILE B 53 6.992 -14.544 1.267 1.00 0.00 O ATOM 2284 CB ILE B 53 7.200 -15.046 -2.126 1.00 0.00 C ATOM 2285 CG1 ILE B 53 6.488 -15.418 -3.441 1.00 0.00 C ATOM 2286 CG2 ILE B 53 7.832 -16.326 -1.562 1.00 0.00 C ATOM 2287 CD1 ILE B 53 5.926 -14.257 -4.271 1.00 0.00 C ATOM 0 H ILE B 53 5.968 -12.951 -2.505 1.00 0.00 H new ATOM 0 HA ILE B 53 5.556 -15.138 -0.773 1.00 0.00 H new ATOM 0 HB ILE B 53 7.936 -14.281 -2.374 1.00 0.00 H new ATOM 0 HG12 ILE B 53 7.190 -15.973 -4.063 1.00 0.00 H new ATOM 0 HG13 ILE B 53 5.668 -16.096 -3.204 1.00 0.00 H new ATOM 0 HG21 ILE B 53 8.463 -16.786 -2.323 1.00 0.00 H new ATOM 0 HG22 ILE B 53 8.437 -16.079 -0.689 1.00 0.00 H new ATOM 0 HG23 ILE B 53 7.046 -17.023 -1.273 1.00 0.00 H new ATOM 0 HD11 ILE B 53 5.450 -14.649 -5.170 1.00 0.00 H new ATOM 0 HD12 ILE B 53 5.191 -13.710 -3.681 1.00 0.00 H new ATOM 0 HD13 ILE B 53 6.737 -13.585 -4.553 1.00 0.00 H new ATOM 2299 N VAL B 54 7.965 -12.964 -0.002 1.00 0.00 N ATOM 2300 CA VAL B 54 8.835 -12.436 1.031 1.00 0.00 C ATOM 2301 C VAL B 54 8.018 -11.994 2.243 1.00 0.00 C ATOM 2302 O VAL B 54 8.416 -12.290 3.360 1.00 0.00 O ATOM 2303 CB VAL B 54 9.733 -11.331 0.452 1.00 0.00 C ATOM 2304 CG1 VAL B 54 10.572 -10.643 1.537 1.00 0.00 C ATOM 2305 CG2 VAL B 54 10.684 -11.960 -0.574 1.00 0.00 C ATOM 0 H VAL B 54 8.055 -12.477 -0.894 1.00 0.00 H new ATOM 0 HA VAL B 54 9.504 -13.218 1.390 1.00 0.00 H new ATOM 0 HB VAL B 54 9.090 -10.580 -0.006 1.00 0.00 H new ATOM 0 HG11 VAL B 54 11.191 -9.870 1.082 1.00 0.00 H new ATOM 0 HG12 VAL B 54 9.911 -10.191 2.276 1.00 0.00 H new ATOM 0 HG13 VAL B 54 11.211 -11.379 2.024 1.00 0.00 H new ATOM 0 HG21 VAL B 54 11.328 -11.188 -0.994 1.00 0.00 H new ATOM 0 HG22 VAL B 54 11.297 -12.718 -0.086 1.00 0.00 H new ATOM 0 HG23 VAL B 54 10.104 -12.422 -1.372 1.00 0.00 H new ATOM 2315 N LYS B 55 6.877 -11.328 2.057 1.00 0.00 N ATOM 2316 CA LYS B 55 5.971 -11.003 3.156 1.00 0.00 C ATOM 2317 C LYS B 55 5.530 -12.274 3.877 1.00 0.00 C ATOM 2318 O LYS B 55 5.703 -12.385 5.092 1.00 0.00 O ATOM 2319 CB LYS B 55 4.768 -10.198 2.642 1.00 0.00 C ATOM 2320 CG LYS B 55 4.794 -8.723 3.061 1.00 0.00 C ATOM 2321 CD LYS B 55 5.928 -7.882 2.451 1.00 0.00 C ATOM 2322 CE LYS B 55 7.316 -8.018 3.093 1.00 0.00 C ATOM 2323 NZ LYS B 55 7.270 -7.855 4.557 1.00 0.00 N ATOM 0 H LYS B 55 6.558 -11.001 1.145 1.00 0.00 H new ATOM 0 HA LYS B 55 6.501 -10.380 3.877 1.00 0.00 H new ATOM 0 HB2 LYS B 55 4.739 -10.258 1.554 1.00 0.00 H new ATOM 0 HB3 LYS B 55 3.850 -10.656 3.011 1.00 0.00 H new ATOM 0 HG2 LYS B 55 3.841 -8.269 2.788 1.00 0.00 H new ATOM 0 HG3 LYS B 55 4.872 -8.673 4.147 1.00 0.00 H new ATOM 0 HD2 LYS B 55 6.015 -8.144 1.396 1.00 0.00 H new ATOM 0 HD3 LYS B 55 5.635 -6.833 2.496 1.00 0.00 H new ATOM 0 HE2 LYS B 55 7.732 -8.996 2.851 1.00 0.00 H new ATOM 0 HE3 LYS B 55 7.986 -7.272 2.667 1.00 0.00 H new ATOM 0 HZ1 LYS B 55 8.084 -7.288 4.869 1.00 0.00 H new ATOM 0 HZ2 LYS B 55 6.389 -7.372 4.825 1.00 0.00 H new ATOM 0 HZ3 LYS B 55 7.305 -8.790 5.012 1.00 0.00 H new ATOM 2337 N LEU B 56 4.968 -13.229 3.130 1.00 0.00 N ATOM 2338 CA LEU B 56 4.494 -14.487 3.694 1.00 0.00 C ATOM 2339 C LEU B 56 5.589 -15.187 4.509 1.00 0.00 C ATOM 2340 O LEU B 56 5.290 -15.772 5.549 1.00 0.00 O ATOM 2341 CB LEU B 56 3.941 -15.393 2.582 1.00 0.00 C ATOM 2342 CG LEU B 56 2.582 -14.923 2.036 1.00 0.00 C ATOM 2343 CD1 LEU B 56 2.307 -15.604 0.690 1.00 0.00 C ATOM 2344 CD2 LEU B 56 1.445 -15.262 3.008 1.00 0.00 C ATOM 0 H LEU B 56 4.831 -13.148 2.122 1.00 0.00 H new ATOM 0 HA LEU B 56 3.681 -14.268 4.387 1.00 0.00 H new ATOM 0 HB2 LEU B 56 4.660 -15.433 1.764 1.00 0.00 H new ATOM 0 HB3 LEU B 56 3.839 -16.408 2.966 1.00 0.00 H new ATOM 0 HG LEU B 56 2.623 -13.841 1.912 1.00 0.00 H new ATOM 0 HD11 LEU B 56 1.344 -15.271 0.304 1.00 0.00 H new ATOM 0 HD12 LEU B 56 3.093 -15.341 -0.018 1.00 0.00 H new ATOM 0 HD13 LEU B 56 2.289 -16.685 0.826 1.00 0.00 H new ATOM 0 HD21 LEU B 56 0.497 -14.917 2.594 1.00 0.00 H new ATOM 0 HD22 LEU B 56 1.404 -16.341 3.158 1.00 0.00 H new ATOM 0 HD23 LEU B 56 1.624 -14.769 3.964 1.00 0.00 H new ATOM 2356 N MET B 57 6.847 -15.131 4.058 1.00 0.00 N ATOM 2357 CA MET B 57 7.970 -15.684 4.804 1.00 0.00 C ATOM 2358 C MET B 57 8.296 -14.784 6.004 1.00 0.00 C ATOM 2359 O MET B 57 8.146 -15.204 7.150 1.00 0.00 O ATOM 2360 CB MET B 57 9.194 -15.873 3.886 1.00 0.00 C ATOM 2361 CG MET B 57 9.359 -17.297 3.325 1.00 0.00 C ATOM 2362 SD MET B 57 8.596 -17.743 1.738 1.00 0.00 S ATOM 2363 CE MET B 57 6.830 -17.774 2.108 1.00 0.00 C ATOM 0 H MET B 57 7.109 -14.703 3.170 1.00 0.00 H new ATOM 0 HA MET B 57 7.695 -16.668 5.184 1.00 0.00 H new ATOM 0 HB2 MET B 57 9.118 -15.175 3.053 1.00 0.00 H new ATOM 0 HB3 MET B 57 10.093 -15.609 4.442 1.00 0.00 H new ATOM 0 HG2 MET B 57 10.428 -17.488 3.235 1.00 0.00 H new ATOM 0 HG3 MET B 57 8.974 -17.987 4.075 1.00 0.00 H new ATOM 0 HE1 MET B 57 6.409 -18.729 1.793 1.00 0.00 H new ATOM 0 HE2 MET B 57 6.681 -17.648 3.180 1.00 0.00 H new ATOM 0 HE3 MET B 57 6.332 -16.964 1.575 1.00 0.00 H new ATOM 2373 N ASP B 58 8.748 -13.553 5.733 1.00 0.00 N ATOM 2374 CA ASP B 58 9.166 -12.525 6.691 1.00 0.00 C ATOM 2375 C ASP B 58 8.251 -12.473 7.907 1.00 0.00 C ATOM 2376 O ASP B 58 8.730 -12.336 9.031 1.00 0.00 O ATOM 2377 CB ASP B 58 9.196 -11.149 6.010 1.00 0.00 C ATOM 2378 CG ASP B 58 9.539 -10.020 6.982 1.00 0.00 C ATOM 2379 OD1 ASP B 58 10.551 -10.171 7.698 1.00 0.00 O ATOM 2380 OD2 ASP B 58 8.787 -9.019 6.986 1.00 0.00 O ATOM 0 H ASP B 58 8.837 -13.228 4.770 1.00 0.00 H new ATOM 0 HA ASP B 58 10.166 -12.789 7.035 1.00 0.00 H new ATOM 0 HB2 ASP B 58 9.928 -11.163 5.202 1.00 0.00 H new ATOM 0 HB3 ASP B 58 8.225 -10.951 5.557 1.00 0.00 H new ATOM 2385 N ASP B 59 6.946 -12.621 7.673 1.00 0.00 N ATOM 2386 CA ASP B 59 5.921 -12.749 8.696 1.00 0.00 C ATOM 2387 C ASP B 59 6.413 -13.568 9.897 1.00 0.00 C ATOM 2388 O ASP B 59 6.336 -13.104 11.031 1.00 0.00 O ATOM 2389 CB ASP B 59 4.722 -13.430 8.031 1.00 0.00 C ATOM 2390 CG ASP B 59 3.564 -13.651 8.986 1.00 0.00 C ATOM 2391 OD1 ASP B 59 3.615 -14.669 9.708 1.00 0.00 O ATOM 2392 OD2 ASP B 59 2.630 -12.826 8.935 1.00 0.00 O ATOM 0 H ASP B 59 6.565 -12.656 6.727 1.00 0.00 H new ATOM 0 HA ASP B 59 5.654 -11.768 9.088 1.00 0.00 H new ATOM 0 HB2 ASP B 59 4.384 -12.821 7.193 1.00 0.00 H new ATOM 0 HB3 ASP B 59 5.037 -14.390 7.621 1.00 0.00 H new ATOM 2397 N LEU B 60 6.966 -14.764 9.669 1.00 0.00 N ATOM 2398 CA LEU B 60 7.389 -15.629 10.766 1.00 0.00 C ATOM 2399 C LEU B 60 8.431 -14.955 11.668 1.00 0.00 C ATOM 2400 O LEU B 60 8.422 -15.166 12.879 1.00 0.00 O ATOM 2401 CB LEU B 60 7.839 -17.004 10.239 1.00 0.00 C ATOM 2402 CG LEU B 60 9.216 -17.031 9.547 1.00 0.00 C ATOM 2403 CD1 LEU B 60 10.342 -17.402 10.523 1.00 0.00 C ATOM 2404 CD2 LEU B 60 9.206 -18.066 8.414 1.00 0.00 C ATOM 0 H LEU B 60 7.129 -15.150 8.739 1.00 0.00 H new ATOM 0 HA LEU B 60 6.525 -15.805 11.407 1.00 0.00 H new ATOM 0 HB2 LEU B 60 7.857 -17.705 11.073 1.00 0.00 H new ATOM 0 HB3 LEU B 60 7.090 -17.366 9.534 1.00 0.00 H new ATOM 0 HG LEU B 60 9.402 -16.029 9.161 1.00 0.00 H new ATOM 0 HD11 LEU B 60 11.295 -17.409 9.994 1.00 0.00 H new ATOM 0 HD12 LEU B 60 10.381 -16.670 11.329 1.00 0.00 H new ATOM 0 HD13 LEU B 60 10.151 -18.391 10.940 1.00 0.00 H new ATOM 0 HD21 LEU B 60 10.181 -18.082 7.927 1.00 0.00 H new ATOM 0 HD22 LEU B 60 8.989 -19.052 8.824 1.00 0.00 H new ATOM 0 HD23 LEU B 60 8.441 -17.800 7.685 1.00 0.00 H new ATOM 2416 N ASP B 61 9.324 -14.147 11.088 1.00 0.00 N ATOM 2417 CA ASP B 61 10.356 -13.437 11.831 1.00 0.00 C ATOM 2418 C ASP B 61 9.761 -12.182 12.463 1.00 0.00 C ATOM 2419 O ASP B 61 9.936 -11.936 13.654 1.00 0.00 O ATOM 2420 CB ASP B 61 11.524 -13.083 10.906 1.00 0.00 C ATOM 2421 CG ASP B 61 12.586 -12.291 11.662 1.00 0.00 C ATOM 2422 OD1 ASP B 61 13.358 -12.939 12.402 1.00 0.00 O ATOM 2423 OD2 ASP B 61 12.599 -11.053 11.495 1.00 0.00 O ATOM 0 H ASP B 61 9.347 -13.970 10.084 1.00 0.00 H new ATOM 0 HA ASP B 61 10.737 -14.079 12.625 1.00 0.00 H new ATOM 0 HB2 ASP B 61 11.963 -13.994 10.500 1.00 0.00 H new ATOM 0 HB3 ASP B 61 11.161 -12.500 10.060 1.00 0.00 H new ATOM 2428 N ARG B 62 9.048 -11.387 11.665 1.00 0.00 N ATOM 2429 CA ARG B 62 8.396 -10.167 12.117 1.00 0.00 C ATOM 2430 C ARG B 62 7.552 -10.450 13.362 1.00 0.00 C ATOM 2431 O ARG B 62 7.633 -9.738 14.360 1.00 0.00 O ATOM 2432 CB ARG B 62 7.555 -9.598 10.967 1.00 0.00 C ATOM 2433 CG ARG B 62 6.974 -8.225 11.325 1.00 0.00 C ATOM 2434 CD ARG B 62 6.167 -7.618 10.171 1.00 0.00 C ATOM 2435 NE ARG B 62 7.012 -7.410 8.985 1.00 0.00 N ATOM 2436 CZ ARG B 62 7.110 -6.304 8.234 1.00 0.00 C ATOM 2437 NH1 ARG B 62 6.366 -5.217 8.470 1.00 0.00 N ATOM 2438 NH2 ARG B 62 7.971 -6.311 7.213 1.00 0.00 N ATOM 0 H ARG B 62 8.908 -11.579 10.673 1.00 0.00 H new ATOM 0 HA ARG B 62 9.140 -9.422 12.399 1.00 0.00 H new ATOM 0 HB2 ARG B 62 8.171 -9.512 10.072 1.00 0.00 H new ATOM 0 HB3 ARG B 62 6.744 -10.288 10.731 1.00 0.00 H new ATOM 0 HG2 ARG B 62 6.334 -8.321 12.202 1.00 0.00 H new ATOM 0 HG3 ARG B 62 7.785 -7.548 11.594 1.00 0.00 H new ATOM 0 HD2 ARG B 62 5.336 -8.277 9.918 1.00 0.00 H new ATOM 0 HD3 ARG B 62 5.736 -6.668 10.485 1.00 0.00 H new ATOM 0 HE ARG B 62 7.591 -8.200 8.701 1.00 0.00 H new ATOM 0 HH11 ARG B 62 5.699 -5.213 9.241 1.00 0.00 H new ATOM 0 HH12 ARG B 62 6.466 -4.392 7.878 1.00 0.00 H new ATOM 0 HH21 ARG B 62 8.531 -7.142 7.024 1.00 0.00 H new ATOM 0 HH22 ARG B 62 8.069 -5.485 6.623 1.00 0.00 H new ATOM 2452 N ASN B 63 6.765 -11.525 13.314 1.00 0.00 N ATOM 2453 CA ASN B 63 5.888 -11.921 14.405 1.00 0.00 C ATOM 2454 C ASN B 63 6.621 -12.730 15.477 1.00 0.00 C ATOM 2455 O ASN B 63 5.972 -13.398 16.282 1.00 0.00 O ATOM 2456 CB ASN B 63 4.672 -12.669 13.853 1.00 0.00 C ATOM 2457 CG ASN B 63 3.865 -11.788 12.905 1.00 0.00 C ATOM 2458 OD1 ASN B 63 3.879 -11.984 11.696 1.00 0.00 O ATOM 2459 ND2 ASN B 63 3.154 -10.797 13.430 1.00 0.00 N ATOM 0 H ASN B 63 6.721 -12.148 12.508 1.00 0.00 H new ATOM 0 HA ASN B 63 5.539 -11.016 14.903 1.00 0.00 H new ATOM 0 HB2 ASN B 63 5.001 -13.566 13.328 1.00 0.00 H new ATOM 0 HB3 ASN B 63 4.038 -12.996 14.677 1.00 0.00 H new ATOM 0 HD21 ASN B 63 2.608 -10.184 12.824 1.00 0.00 H new ATOM 0 HD22 ASN B 63 3.154 -10.648 14.439 1.00 0.00 H new ATOM 2517 N GLU B 67 2.454 -9.734 18.305 1.00 0.00 N ATOM 2518 CA GLU B 67 1.504 -8.699 17.948 1.00 0.00 C ATOM 2519 C GLU B 67 2.177 -7.482 17.313 1.00 0.00 C ATOM 2520 O GLU B 67 2.819 -6.702 18.013 1.00 0.00 O ATOM 2521 CB GLU B 67 0.728 -8.282 19.201 1.00 0.00 C ATOM 2522 CG GLU B 67 -0.189 -9.386 19.748 1.00 0.00 C ATOM 2523 CD GLU B 67 -1.366 -9.655 18.816 1.00 0.00 C ATOM 2524 OE1 GLU B 67 -2.221 -8.752 18.708 1.00 0.00 O ATOM 2525 OE2 GLU B 67 -1.377 -10.744 18.205 1.00 0.00 O ATOM 0 HA GLU B 67 0.825 -9.108 17.200 1.00 0.00 H new ATOM 0 HB2 GLU B 67 1.436 -7.991 19.977 1.00 0.00 H new ATOM 0 HB3 GLU B 67 0.127 -7.402 18.971 1.00 0.00 H new ATOM 0 HG2 GLU B 67 0.385 -10.303 19.883 1.00 0.00 H new ATOM 0 HG3 GLU B 67 -0.562 -9.096 20.730 1.00 0.00 H new ATOM 2532 N VAL B 68 1.983 -7.287 16.007 1.00 0.00 N ATOM 2533 CA VAL B 68 2.331 -6.047 15.336 1.00 0.00 C ATOM 2534 C VAL B 68 1.132 -5.103 15.463 1.00 0.00 C ATOM 2535 O VAL B 68 -0.015 -5.559 15.516 1.00 0.00 O ATOM 2536 CB VAL B 68 2.731 -6.277 13.867 1.00 0.00 C ATOM 2537 CG1 VAL B 68 3.937 -7.211 13.741 1.00 0.00 C ATOM 2538 CG2 VAL B 68 1.605 -6.767 12.954 1.00 0.00 C ATOM 0 H VAL B 68 1.579 -7.991 15.389 1.00 0.00 H new ATOM 0 HA VAL B 68 3.208 -5.602 15.806 1.00 0.00 H new ATOM 0 HB VAL B 68 2.996 -5.280 13.516 1.00 0.00 H new ATOM 0 HG11 VAL B 68 4.185 -7.345 12.688 1.00 0.00 H new ATOM 0 HG12 VAL B 68 4.790 -6.776 14.262 1.00 0.00 H new ATOM 0 HG13 VAL B 68 3.696 -8.178 14.183 1.00 0.00 H new ATOM 0 HG21 VAL B 68 1.988 -6.898 11.942 1.00 0.00 H new ATOM 0 HG22 VAL B 68 1.225 -7.719 13.324 1.00 0.00 H new ATOM 0 HG23 VAL B 68 0.799 -6.033 12.944 1.00 0.00 H new ATOM 2548 N ASN B 69 1.393 -3.796 15.527 1.00 0.00 N ATOM 2549 CA ASN B 69 0.367 -2.764 15.593 1.00 0.00 C ATOM 2550 C ASN B 69 -0.023 -2.275 14.198 1.00 0.00 C ATOM 2551 O ASN B 69 0.492 -2.759 13.188 1.00 0.00 O ATOM 2552 CB ASN B 69 0.817 -1.610 16.508 1.00 0.00 C ATOM 2553 CG ASN B 69 1.756 -0.587 15.859 1.00 0.00 C ATOM 2554 OD1 ASN B 69 2.211 -0.737 14.730 1.00 0.00 O ATOM 2555 ND2 ASN B 69 2.036 0.500 16.570 1.00 0.00 N ATOM 0 H ASN B 69 2.342 -3.423 15.534 1.00 0.00 H new ATOM 0 HA ASN B 69 -0.530 -3.200 16.033 1.00 0.00 H new ATOM 0 HB2 ASN B 69 -0.069 -1.088 16.869 1.00 0.00 H new ATOM 0 HB3 ASN B 69 1.315 -2.033 17.381 1.00 0.00 H new ATOM 0 HD21 ASN B 69 2.637 1.225 16.178 1.00 0.00 H new ATOM 0 HD22 ASN B 69 1.650 0.610 17.508 1.00 0.00 H new ATOM 2562 N PHE B 70 -0.909 -1.278 14.155 1.00 0.00 N ATOM 2563 CA PHE B 70 -1.356 -0.644 12.925 1.00 0.00 C ATOM 2564 C PHE B 70 -0.186 -0.226 12.028 1.00 0.00 C ATOM 2565 O PHE B 70 -0.073 -0.726 10.915 1.00 0.00 O ATOM 2566 CB PHE B 70 -2.281 0.533 13.255 1.00 0.00 C ATOM 2567 CG PHE B 70 -2.792 1.277 12.037 1.00 0.00 C ATOM 2568 CD1 PHE B 70 -3.584 0.611 11.083 1.00 0.00 C ATOM 2569 CD2 PHE B 70 -2.470 2.634 11.849 1.00 0.00 C ATOM 2570 CE1 PHE B 70 -4.072 1.304 9.962 1.00 0.00 C ATOM 2571 CE2 PHE B 70 -2.955 3.324 10.727 1.00 0.00 C ATOM 2572 CZ PHE B 70 -3.754 2.661 9.780 1.00 0.00 C ATOM 0 H PHE B 70 -1.340 -0.886 14.992 1.00 0.00 H new ATOM 0 HA PHE B 70 -1.922 -1.376 12.349 1.00 0.00 H new ATOM 0 HB2 PHE B 70 -3.133 0.163 13.826 1.00 0.00 H new ATOM 0 HB3 PHE B 70 -1.746 1.233 13.897 1.00 0.00 H new ATOM 0 HD1 PHE B 70 -3.817 -0.435 11.213 1.00 0.00 H new ATOM 0 HD2 PHE B 70 -1.849 3.145 12.569 1.00 0.00 H new ATOM 0 HE1 PHE B 70 -4.692 0.793 9.240 1.00 0.00 H new ATOM 0 HE2 PHE B 70 -2.713 4.368 10.591 1.00 0.00 H new ATOM 0 HZ PHE B 70 -4.123 3.192 8.915 1.00 0.00 H new ATOM 2582 N GLN B 71 0.693 0.676 12.477 1.00 0.00 N ATOM 2583 CA GLN B 71 1.748 1.197 11.606 1.00 0.00 C ATOM 2584 C GLN B 71 2.667 0.070 11.113 1.00 0.00 C ATOM 2585 O GLN B 71 3.117 0.081 9.967 1.00 0.00 O ATOM 2586 CB GLN B 71 2.547 2.304 12.310 1.00 0.00 C ATOM 2587 CG GLN B 71 3.369 3.149 11.318 1.00 0.00 C ATOM 2588 CD GLN B 71 2.500 4.108 10.506 1.00 0.00 C ATOM 2589 OE1 GLN B 71 1.950 5.060 11.049 1.00 0.00 O ATOM 2590 NE2 GLN B 71 2.380 3.887 9.200 1.00 0.00 N ATOM 0 H GLN B 71 0.695 1.055 13.424 1.00 0.00 H new ATOM 0 HA GLN B 71 1.272 1.638 10.730 1.00 0.00 H new ATOM 0 HB2 GLN B 71 1.862 2.952 12.857 1.00 0.00 H new ATOM 0 HB3 GLN B 71 3.216 1.856 13.044 1.00 0.00 H new ATOM 0 HG2 GLN B 71 4.119 3.719 11.866 1.00 0.00 H new ATOM 0 HG3 GLN B 71 3.905 2.486 10.639 1.00 0.00 H new ATOM 0 HE21 GLN B 71 2.848 3.088 8.773 1.00 0.00 H new ATOM 0 HE22 GLN B 71 1.820 4.517 8.625 1.00 0.00 H new ATOM 2599 N GLU B 72 2.950 -0.914 11.968 1.00 0.00 N ATOM 2600 CA GLU B 72 3.734 -2.076 11.582 1.00 0.00 C ATOM 2601 C GLU B 72 3.018 -2.873 10.484 1.00 0.00 C ATOM 2602 O GLU B 72 3.637 -3.225 9.482 1.00 0.00 O ATOM 2603 CB GLU B 72 4.019 -2.931 12.814 1.00 0.00 C ATOM 2604 CG GLU B 72 4.977 -2.236 13.789 1.00 0.00 C ATOM 2605 CD GLU B 72 5.091 -3.028 15.085 1.00 0.00 C ATOM 2606 OE1 GLU B 72 4.075 -3.063 15.814 1.00 0.00 O ATOM 2607 OE2 GLU B 72 6.176 -3.604 15.312 1.00 0.00 O ATOM 0 H GLU B 72 2.642 -0.923 12.940 1.00 0.00 H new ATOM 0 HA GLU B 72 4.687 -1.750 11.167 1.00 0.00 H new ATOM 0 HB2 GLU B 72 3.082 -3.155 13.324 1.00 0.00 H new ATOM 0 HB3 GLU B 72 4.447 -3.884 12.502 1.00 0.00 H new ATOM 0 HG2 GLU B 72 5.961 -2.135 13.331 1.00 0.00 H new ATOM 0 HG3 GLU B 72 4.620 -1.229 14.002 1.00 0.00 H new ATOM 2614 N TYR B 73 1.714 -3.127 10.633 1.00 0.00 N ATOM 2615 CA TYR B 73 0.902 -3.718 9.569 1.00 0.00 C ATOM 2616 C TYR B 73 1.013 -2.876 8.289 1.00 0.00 C ATOM 2617 O TYR B 73 1.316 -3.400 7.215 1.00 0.00 O ATOM 2618 CB TYR B 73 -0.552 -3.893 10.039 1.00 0.00 C ATOM 2619 CG TYR B 73 -1.618 -3.678 8.977 1.00 0.00 C ATOM 2620 CD1 TYR B 73 -1.931 -4.697 8.057 1.00 0.00 C ATOM 2621 CD2 TYR B 73 -2.293 -2.446 8.905 1.00 0.00 C ATOM 2622 CE1 TYR B 73 -2.943 -4.492 7.100 1.00 0.00 C ATOM 2623 CE2 TYR B 73 -3.266 -2.225 7.917 1.00 0.00 C ATOM 2624 CZ TYR B 73 -3.621 -3.262 7.040 1.00 0.00 C ATOM 2625 OH TYR B 73 -4.655 -3.096 6.166 1.00 0.00 O ATOM 0 H TYR B 73 1.196 -2.930 11.489 1.00 0.00 H new ATOM 0 HA TYR B 73 1.279 -4.713 9.332 1.00 0.00 H new ATOM 0 HB2 TYR B 73 -0.665 -4.899 10.443 1.00 0.00 H new ATOM 0 HB3 TYR B 73 -0.736 -3.198 10.858 1.00 0.00 H new ATOM 0 HD1 TYR B 73 -1.396 -5.634 8.085 1.00 0.00 H new ATOM 0 HD2 TYR B 73 -2.061 -1.665 9.614 1.00 0.00 H new ATOM 0 HE1 TYR B 73 -3.199 -5.282 6.410 1.00 0.00 H new ATOM 0 HE2 TYR B 73 -3.741 -1.259 7.832 1.00 0.00 H new ATOM 0 HH TYR B 73 -5.245 -2.384 6.489 1.00 0.00 H new ATOM 2635 N ILE B 74 0.821 -1.560 8.400 1.00 0.00 N ATOM 2636 CA ILE B 74 0.992 -0.636 7.287 1.00 0.00 C ATOM 2637 C ILE B 74 2.408 -0.750 6.708 1.00 0.00 C ATOM 2638 O ILE B 74 2.602 -0.490 5.527 1.00 0.00 O ATOM 2639 CB ILE B 74 0.662 0.808 7.713 1.00 0.00 C ATOM 2640 CG1 ILE B 74 -0.796 1.010 8.170 1.00 0.00 C ATOM 2641 CG2 ILE B 74 0.966 1.792 6.588 1.00 0.00 C ATOM 2642 CD1 ILE B 74 -1.827 0.924 7.038 1.00 0.00 C ATOM 0 H ILE B 74 0.541 -1.107 9.270 1.00 0.00 H new ATOM 0 HA ILE B 74 0.289 -0.907 6.499 1.00 0.00 H new ATOM 0 HB ILE B 74 1.301 1.001 8.574 1.00 0.00 H new ATOM 0 HG12 ILE B 74 -1.036 0.259 8.923 1.00 0.00 H new ATOM 0 HG13 ILE B 74 -0.882 1.984 8.652 1.00 0.00 H new ATOM 0 HG21 ILE B 74 0.724 2.804 6.914 1.00 0.00 H new ATOM 0 HG22 ILE B 74 2.024 1.736 6.332 1.00 0.00 H new ATOM 0 HG23 ILE B 74 0.367 1.540 5.713 1.00 0.00 H new ATOM 0 HD11 ILE B 74 -2.827 1.077 7.444 1.00 0.00 H new ATOM 0 HD12 ILE B 74 -1.616 1.692 6.294 1.00 0.00 H new ATOM 0 HD13 ILE B 74 -1.772 -0.059 6.570 1.00 0.00 H new ATOM 2654 N THR B 75 3.406 -1.128 7.507 1.00 0.00 N ATOM 2655 CA THR B 75 4.759 -1.402 7.037 1.00 0.00 C ATOM 2656 C THR B 75 4.910 -2.799 6.433 1.00 0.00 C ATOM 2657 O THR B 75 5.773 -2.998 5.584 1.00 0.00 O ATOM 2658 CB THR B 75 5.772 -1.019 8.121 1.00 0.00 C ATOM 2659 OG1 THR B 75 5.490 0.315 8.512 1.00 0.00 O ATOM 2660 CG2 THR B 75 7.217 -1.077 7.618 1.00 0.00 C ATOM 0 H THR B 75 3.293 -1.254 8.513 1.00 0.00 H new ATOM 0 HA THR B 75 4.985 -0.763 6.184 1.00 0.00 H new ATOM 0 HB THR B 75 5.681 -1.726 8.945 1.00 0.00 H new ATOM 0 HG1 THR B 75 4.688 0.328 9.075 1.00 0.00 H new ATOM 0 HG21 THR B 75 7.895 -0.797 8.425 1.00 0.00 H new ATOM 0 HG22 THR B 75 7.447 -2.090 7.287 1.00 0.00 H new ATOM 0 HG23 THR B 75 7.340 -0.386 6.784 1.00 0.00 H new ATOM 2668 N PHE B 76 4.067 -3.763 6.803 1.00 0.00 N ATOM 2669 CA PHE B 76 3.990 -5.030 6.083 1.00 0.00 C ATOM 2670 C PHE B 76 3.524 -4.711 4.656 1.00 0.00 C ATOM 2671 O PHE B 76 4.197 -5.040 3.677 1.00 0.00 O ATOM 2672 CB PHE B 76 3.052 -5.999 6.822 1.00 0.00 C ATOM 2673 CG PHE B 76 3.116 -7.451 6.387 1.00 0.00 C ATOM 2674 CD1 PHE B 76 4.170 -8.267 6.841 1.00 0.00 C ATOM 2675 CD2 PHE B 76 2.029 -8.039 5.711 1.00 0.00 C ATOM 2676 CE1 PHE B 76 4.137 -9.657 6.633 1.00 0.00 C ATOM 2677 CE2 PHE B 76 1.990 -9.430 5.509 1.00 0.00 C ATOM 2678 CZ PHE B 76 3.044 -10.239 5.968 1.00 0.00 C ATOM 0 H PHE B 76 3.430 -3.689 7.596 1.00 0.00 H new ATOM 0 HA PHE B 76 4.957 -5.531 6.033 1.00 0.00 H new ATOM 0 HB2 PHE B 76 3.278 -5.950 7.887 1.00 0.00 H new ATOM 0 HB3 PHE B 76 2.028 -5.648 6.696 1.00 0.00 H new ATOM 0 HD1 PHE B 76 5.010 -7.822 7.353 1.00 0.00 H new ATOM 0 HD2 PHE B 76 1.223 -7.419 5.347 1.00 0.00 H new ATOM 0 HE1 PHE B 76 4.950 -10.276 6.983 1.00 0.00 H new ATOM 0 HE2 PHE B 76 1.149 -9.878 5.000 1.00 0.00 H new ATOM 0 HZ PHE B 76 3.014 -11.307 5.810 1.00 0.00 H new ATOM 2688 N LEU B 77 2.407 -3.982 4.544 1.00 0.00 N ATOM 2689 CA LEU B 77 1.898 -3.516 3.257 1.00 0.00 C ATOM 2690 C LEU B 77 2.888 -2.572 2.563 1.00 0.00 C ATOM 2691 O LEU B 77 3.075 -2.635 1.353 1.00 0.00 O ATOM 2692 CB LEU B 77 0.542 -2.820 3.428 1.00 0.00 C ATOM 2693 CG LEU B 77 -0.551 -3.690 4.070 1.00 0.00 C ATOM 2694 CD1 LEU B 77 -1.870 -2.913 4.007 1.00 0.00 C ATOM 2695 CD2 LEU B 77 -0.724 -5.044 3.368 1.00 0.00 C ATOM 0 H LEU B 77 1.836 -3.702 5.341 1.00 0.00 H new ATOM 0 HA LEU B 77 1.769 -4.394 2.624 1.00 0.00 H new ATOM 0 HB2 LEU B 77 0.682 -1.927 4.038 1.00 0.00 H new ATOM 0 HB3 LEU B 77 0.194 -2.487 2.450 1.00 0.00 H new ATOM 0 HG LEU B 77 -0.256 -3.904 5.097 1.00 0.00 H new ATOM 0 HD11 LEU B 77 -2.665 -3.508 4.457 1.00 0.00 H new ATOM 0 HD12 LEU B 77 -1.766 -1.975 4.552 1.00 0.00 H new ATOM 0 HD13 LEU B 77 -2.119 -2.702 2.967 1.00 0.00 H new ATOM 0 HD21 LEU B 77 -1.509 -5.614 3.865 1.00 0.00 H new ATOM 0 HD22 LEU B 77 -0.999 -4.881 2.326 1.00 0.00 H new ATOM 0 HD23 LEU B 77 0.213 -5.600 3.414 1.00 0.00 H new ATOM 2707 N GLY B 78 3.516 -1.679 3.321 1.00 0.00 N ATOM 2708 CA GLY B 78 4.468 -0.703 2.818 1.00 0.00 C ATOM 2709 C GLY B 78 5.657 -1.400 2.175 1.00 0.00 C ATOM 2710 O GLY B 78 6.039 -1.093 1.049 1.00 0.00 O ATOM 0 H GLY B 78 3.371 -1.615 4.329 1.00 0.00 H new ATOM 0 HA2 GLY B 78 3.982 -0.054 2.089 1.00 0.00 H new ATOM 0 HA3 GLY B 78 4.810 -0.066 3.634 1.00 0.00 H new ATOM 2714 N ALA B 79 6.234 -2.367 2.890 1.00 0.00 N ATOM 2715 CA ALA B 79 7.319 -3.186 2.386 1.00 0.00 C ATOM 2716 C ALA B 79 6.855 -3.973 1.159 1.00 0.00 C ATOM 2717 O ALA B 79 7.545 -3.970 0.146 1.00 0.00 O ATOM 2718 CB ALA B 79 7.815 -4.101 3.507 1.00 0.00 C ATOM 0 H ALA B 79 5.953 -2.600 3.843 1.00 0.00 H new ATOM 0 HA ALA B 79 8.152 -2.559 2.067 1.00 0.00 H new ATOM 0 HB1 ALA B 79 8.631 -4.721 3.136 1.00 0.00 H new ATOM 0 HB2 ALA B 79 8.169 -3.495 4.341 1.00 0.00 H new ATOM 0 HB3 ALA B 79 6.998 -4.740 3.843 1.00 0.00 H new ATOM 2724 N LEU B 80 5.686 -4.622 1.225 1.00 0.00 N ATOM 2725 CA LEU B 80 5.112 -5.331 0.081 1.00 0.00 C ATOM 2726 C LEU B 80 5.117 -4.420 -1.152 1.00 0.00 C ATOM 2727 O LEU B 80 5.700 -4.745 -2.191 1.00 0.00 O ATOM 2728 CB LEU B 80 3.684 -5.784 0.433 1.00 0.00 C ATOM 2729 CG LEU B 80 2.950 -6.510 -0.700 1.00 0.00 C ATOM 2730 CD1 LEU B 80 3.454 -7.944 -0.839 1.00 0.00 C ATOM 2731 CD2 LEU B 80 1.451 -6.541 -0.402 1.00 0.00 C ATOM 0 H LEU B 80 5.116 -4.669 2.070 1.00 0.00 H new ATOM 0 HA LEU B 80 5.710 -6.212 -0.151 1.00 0.00 H new ATOM 0 HB2 LEU B 80 3.729 -6.443 1.300 1.00 0.00 H new ATOM 0 HB3 LEU B 80 3.101 -4.911 0.726 1.00 0.00 H new ATOM 0 HG LEU B 80 3.139 -5.974 -1.630 1.00 0.00 H new ATOM 0 HD11 LEU B 80 2.920 -8.441 -1.649 1.00 0.00 H new ATOM 0 HD12 LEU B 80 4.521 -7.935 -1.061 1.00 0.00 H new ATOM 0 HD13 LEU B 80 3.282 -8.482 0.093 1.00 0.00 H new ATOM 0 HD21 LEU B 80 0.930 -7.057 -1.208 1.00 0.00 H new ATOM 0 HD22 LEU B 80 1.278 -7.066 0.537 1.00 0.00 H new ATOM 0 HD23 LEU B 80 1.075 -5.521 -0.322 1.00 0.00 H new ATOM 2743 N ALA B 81 4.469 -3.264 -1.000 1.00 0.00 N ATOM 2744 CA ALA B 81 4.364 -2.238 -2.016 1.00 0.00 C ATOM 2745 C ALA B 81 5.740 -1.883 -2.561 1.00 0.00 C ATOM 2746 O ALA B 81 5.948 -1.978 -3.768 1.00 0.00 O ATOM 2747 CB ALA B 81 3.668 -1.006 -1.430 1.00 0.00 C ATOM 0 H ALA B 81 3.990 -3.017 -0.134 1.00 0.00 H new ATOM 0 HA ALA B 81 3.767 -2.614 -2.847 1.00 0.00 H new ATOM 0 HB1 ALA B 81 3.589 -0.234 -2.195 1.00 0.00 H new ATOM 0 HB2 ALA B 81 2.670 -1.280 -1.087 1.00 0.00 H new ATOM 0 HB3 ALA B 81 4.248 -0.626 -0.589 1.00 0.00 H new ATOM 2753 N MET B 82 6.658 -1.482 -1.680 1.00 0.00 N ATOM 2754 CA MET B 82 8.010 -1.084 -2.034 1.00 0.00 C ATOM 2755 C MET B 82 8.715 -2.177 -2.837 1.00 0.00 C ATOM 2756 O MET B 82 9.353 -1.883 -3.845 1.00 0.00 O ATOM 2757 CB MET B 82 8.774 -0.710 -0.756 1.00 0.00 C ATOM 2758 CG MET B 82 10.179 -0.179 -1.065 1.00 0.00 C ATOM 2759 SD MET B 82 11.186 0.305 0.364 1.00 0.00 S ATOM 2760 CE MET B 82 10.223 1.686 1.021 1.00 0.00 C ATOM 0 H MET B 82 6.472 -1.426 -0.679 1.00 0.00 H new ATOM 0 HA MET B 82 7.977 -0.208 -2.681 1.00 0.00 H new ATOM 0 HB2 MET B 82 8.213 0.045 -0.206 1.00 0.00 H new ATOM 0 HB3 MET B 82 8.850 -1.584 -0.110 1.00 0.00 H new ATOM 0 HG2 MET B 82 10.720 -0.945 -1.621 1.00 0.00 H new ATOM 0 HG3 MET B 82 10.082 0.684 -1.723 1.00 0.00 H new ATOM 0 HE1 MET B 82 10.793 2.188 1.802 1.00 0.00 H new ATOM 0 HE2 MET B 82 10.006 2.392 0.219 1.00 0.00 H new ATOM 0 HE3 MET B 82 9.288 1.312 1.438 1.00 0.00 H new ATOM 2770 N ILE B 83 8.633 -3.428 -2.380 1.00 0.00 N ATOM 2771 CA ILE B 83 9.351 -4.524 -3.008 1.00 0.00 C ATOM 2772 C ILE B 83 8.803 -4.785 -4.414 1.00 0.00 C ATOM 2773 O ILE B 83 9.605 -4.825 -5.347 1.00 0.00 O ATOM 2774 CB ILE B 83 9.409 -5.773 -2.108 1.00 0.00 C ATOM 2775 CG1 ILE B 83 10.125 -5.489 -0.774 1.00 0.00 C ATOM 2776 CG2 ILE B 83 10.187 -6.892 -2.823 1.00 0.00 C ATOM 2777 CD1 ILE B 83 9.727 -6.511 0.297 1.00 0.00 C ATOM 0 H ILE B 83 8.072 -3.702 -1.573 1.00 0.00 H new ATOM 0 HA ILE B 83 10.394 -4.233 -3.134 1.00 0.00 H new ATOM 0 HB ILE B 83 8.380 -6.069 -1.906 1.00 0.00 H new ATOM 0 HG12 ILE B 83 11.204 -5.517 -0.924 1.00 0.00 H new ATOM 0 HG13 ILE B 83 9.877 -4.484 -0.432 1.00 0.00 H new ATOM 0 HG21 ILE B 83 10.226 -7.774 -2.184 1.00 0.00 H new ATOM 0 HG22 ILE B 83 9.686 -7.143 -3.758 1.00 0.00 H new ATOM 0 HG23 ILE B 83 11.201 -6.552 -3.035 1.00 0.00 H new ATOM 0 HD11 ILE B 83 10.248 -6.285 1.227 1.00 0.00 H new ATOM 0 HD12 ILE B 83 8.651 -6.463 0.463 1.00 0.00 H new ATOM 0 HD13 ILE B 83 9.999 -7.512 -0.037 1.00 0.00 H new ATOM 2789 N TYR B 84 7.485 -4.981 -4.597 1.00 0.00 N ATOM 2790 CA TYR B 84 6.984 -5.304 -5.938 1.00 0.00 C ATOM 2791 C TYR B 84 6.823 -4.090 -6.855 1.00 0.00 C ATOM 2792 O TYR B 84 7.103 -4.192 -8.050 1.00 0.00 O ATOM 2793 CB TYR B 84 5.866 -6.365 -6.003 1.00 0.00 C ATOM 2794 CG TYR B 84 4.565 -6.257 -5.230 1.00 0.00 C ATOM 2795 CD1 TYR B 84 4.023 -5.027 -4.822 1.00 0.00 C ATOM 2796 CD2 TYR B 84 3.798 -7.432 -5.093 1.00 0.00 C ATOM 2797 CE1 TYR B 84 2.715 -4.975 -4.305 1.00 0.00 C ATOM 2798 CE2 TYR B 84 2.515 -7.389 -4.530 1.00 0.00 C ATOM 2799 CZ TYR B 84 1.958 -6.151 -4.168 1.00 0.00 C ATOM 2800 OH TYR B 84 0.696 -6.086 -3.660 1.00 0.00 O ATOM 0 H TYR B 84 6.776 -4.924 -3.866 1.00 0.00 H new ATOM 0 HA TYR B 84 7.807 -5.853 -6.396 1.00 0.00 H new ATOM 0 HB2 TYR B 84 5.592 -6.459 -7.054 1.00 0.00 H new ATOM 0 HB3 TYR B 84 6.322 -7.310 -5.707 1.00 0.00 H new ATOM 0 HD1 TYR B 84 4.609 -4.123 -4.905 1.00 0.00 H new ATOM 0 HD2 TYR B 84 4.204 -8.376 -5.426 1.00 0.00 H new ATOM 0 HE1 TYR B 84 2.291 -4.026 -4.012 1.00 0.00 H new ATOM 0 HE2 TYR B 84 1.958 -8.302 -4.376 1.00 0.00 H new ATOM 0 HH TYR B 84 0.308 -6.985 -3.632 1.00 0.00 H new ATOM 2810 N ASN B 85 6.466 -2.915 -6.328 1.00 0.00 N ATOM 2811 CA ASN B 85 6.505 -1.687 -7.118 1.00 0.00 C ATOM 2812 C ASN B 85 7.945 -1.192 -7.121 1.00 0.00 C ATOM 2813 O ASN B 85 8.257 -0.168 -6.515 1.00 0.00 O ATOM 2814 CB ASN B 85 5.546 -0.608 -6.596 1.00 0.00 C ATOM 2815 CG ASN B 85 4.098 -1.074 -6.589 1.00 0.00 C ATOM 2816 OD1 ASN B 85 3.350 -0.840 -7.531 1.00 0.00 O ATOM 2817 ND2 ASN B 85 3.691 -1.724 -5.506 1.00 0.00 N ATOM 0 H ASN B 85 6.150 -2.791 -5.366 1.00 0.00 H new ATOM 0 HA ASN B 85 6.166 -1.903 -8.131 1.00 0.00 H new ATOM 0 HB2 ASN B 85 5.838 -0.324 -5.585 1.00 0.00 H new ATOM 0 HB3 ASN B 85 5.635 0.284 -7.216 1.00 0.00 H new ATOM 0 HD21 ASN B 85 2.726 -2.047 -5.438 1.00 0.00 H new ATOM 0 HD22 ASN B 85 4.343 -1.900 -4.742 1.00 0.00 H new ATOM 2824 N GLU B 86 8.809 -1.934 -7.824 1.00 0.00 N ATOM 2825 CA GLU B 86 10.250 -1.717 -7.917 1.00 0.00 C ATOM 2826 C GLU B 86 10.590 -0.230 -8.093 1.00 0.00 C ATOM 2827 O GLU B 86 11.550 0.265 -7.507 1.00 0.00 O ATOM 2828 CB GLU B 86 10.801 -2.550 -9.088 1.00 0.00 C ATOM 2829 CG GLU B 86 12.232 -3.038 -8.829 1.00 0.00 C ATOM 2830 CD GLU B 86 12.257 -4.232 -7.878 1.00 0.00 C ATOM 2831 OE1 GLU B 86 11.841 -5.323 -8.331 1.00 0.00 O ATOM 2832 OE2 GLU B 86 12.691 -4.038 -6.722 1.00 0.00 O ATOM 0 H GLU B 86 8.503 -2.740 -8.369 1.00 0.00 H new ATOM 0 HA GLU B 86 10.717 -2.037 -6.986 1.00 0.00 H new ATOM 0 HB2 GLU B 86 10.151 -3.409 -9.258 1.00 0.00 H new ATOM 0 HB3 GLU B 86 10.782 -1.951 -9.998 1.00 0.00 H new ATOM 0 HG2 GLU B 86 12.699 -3.316 -9.774 1.00 0.00 H new ATOM 0 HG3 GLU B 86 12.823 -2.225 -8.408 1.00 0.00 H new ATOM 2839 N ALA B 87 9.764 0.475 -8.879 1.00 0.00 N ATOM 2840 CA ALA B 87 9.755 1.923 -9.052 1.00 0.00 C ATOM 2841 C ALA B 87 10.131 2.689 -7.779 1.00 0.00 C ATOM 2842 O ALA B 87 10.952 3.597 -7.834 1.00 0.00 O ATOM 2843 CB ALA B 87 8.365 2.355 -9.531 1.00 0.00 C ATOM 0 H ALA B 87 9.046 0.018 -9.440 1.00 0.00 H new ATOM 0 HA ALA B 87 10.517 2.168 -9.792 1.00 0.00 H new ATOM 0 HB1 ALA B 87 8.346 3.437 -9.664 1.00 0.00 H new ATOM 0 HB2 ALA B 87 8.140 1.869 -10.480 1.00 0.00 H new ATOM 0 HB3 ALA B 87 7.619 2.067 -8.790 1.00 0.00 H new ATOM 2849 N LEU B 88 9.533 2.336 -6.636 1.00 0.00 N ATOM 2850 CA LEU B 88 9.764 3.024 -5.369 1.00 0.00 C ATOM 2851 C LEU B 88 11.224 2.940 -4.916 1.00 0.00 C ATOM 2852 O LEU B 88 11.689 3.832 -4.213 1.00 0.00 O ATOM 2853 CB LEU B 88 8.825 2.467 -4.286 1.00 0.00 C ATOM 2854 CG LEU B 88 7.361 2.893 -4.486 1.00 0.00 C ATOM 2855 CD1 LEU B 88 6.446 2.035 -3.611 1.00 0.00 C ATOM 2856 CD2 LEU B 88 7.141 4.355 -4.081 1.00 0.00 C ATOM 0 H LEU B 88 8.873 1.561 -6.567 1.00 0.00 H new ATOM 0 HA LEU B 88 9.544 4.080 -5.526 1.00 0.00 H new ATOM 0 HB2 LEU B 88 8.885 1.379 -4.286 1.00 0.00 H new ATOM 0 HB3 LEU B 88 9.166 2.805 -3.308 1.00 0.00 H new ATOM 0 HG LEU B 88 7.131 2.766 -5.544 1.00 0.00 H new ATOM 0 HD11 LEU B 88 5.410 2.342 -3.757 1.00 0.00 H new ATOM 0 HD12 LEU B 88 6.556 0.987 -3.888 1.00 0.00 H new ATOM 0 HD13 LEU B 88 6.718 2.164 -2.564 1.00 0.00 H new ATOM 0 HD21 LEU B 88 6.096 4.622 -4.235 1.00 0.00 H new ATOM 0 HD22 LEU B 88 7.397 4.484 -3.029 1.00 0.00 H new ATOM 0 HD23 LEU B 88 7.774 5.000 -4.690 1.00 0.00 H new