USER MOD reduce.3.24.130724 H: found=0, std=0, add=882, rem=0, adj=37 USER MOD reduce.3.24.130724 removed 870 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 87 LYS NZ :NH3+ -134:sc= 1.94 (180deg=-0.0942) USER MOD Set 1.2: B 745 SER OG : rot -32:sc= 1.08 USER MOD Set 2.1: A 67 HIS : no HD1:sc= -0.287 K(o=5.6,f=4.3) USER MOD Set 2.2: A 71 CYS SG : rot 100:sc= 1.43 USER MOD Set 2.3: A 76 CYS SG : rot 135:sc= 0.614 USER MOD Set 2.4: A 81 CYS SG : rot -165:sc= 0.861 USER MOD Set 2.5: A 85 LYS NZ :NH3+ 142:sc= 2.99 (180deg=0.881) USER MOD Set 3.1: A 50 THR OG1 : rot 180:sc= 0.167 USER MOD Set 3.2: A 51 ASN : amide:sc= 0.992 K(o=1.2,f=0.1) USER MOD Set 4.1: A 42 HIS : no HE2:sc= -0.71 X(o=2.4,f=2.1) USER MOD Set 4.2: A 43 THR OG1 : rot 120:sc= 0 USER MOD Set 4.3: A 46 CYS SG : rot 146:sc= 1.83 USER MOD Set 4.4: A 54 CYS SG : rot 124:sc= 0.707 USER MOD Set 4.5: A 57 CYS SG : rot 89:sc= 0.605 USER MOD Set 5.1: A 16 SER OG : rot 77:sc= 1.11 USER MOD Set 5.2: A 32 SER OG : rot 165:sc= 0.68 USER MOD Set 6.1: A 19 HIS : no HD1:sc= -0.934 K(o=8.1,f=7.3) USER MOD Set 6.2: A 23 CYS SG : rot 42:sc= 1.68 USER MOD Set 6.3: A 25 ASN : amide:sc= 1.27 K(o=8.1,f=5.3) USER MOD Set 6.4: A 28 CYS SG : rot 131:sc= 2.51 USER MOD Set 6.5: A 33 CYS SG : rot -166:sc= 0.253 USER MOD Set 6.6: A 37 LYS NZ :NH3+ 171:sc= 3.31 (180deg=1.16) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 83:sc= 1.12 USER MOD Single : A 11 GLN : amide:sc= -0.0514 K(o=-0.051,f=-0.56) USER MOD Single : A 13 CYS SG : rot 72:sc= 0.288 USER MOD Single : A 15 GLN : amide:sc= -0.0635 X(o=-0.064,f=-0.064) USER MOD Single : A 21 CYS SG : rot 79:sc= 0.32 USER MOD Single : A 22 GLN : amide:sc= 0.895 K(o=0.9,f=0) USER MOD Single : A 27 ASN : amide:sc= -0.0222 X(o=-0.022,f=-0.022) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 34 GLN : amide:sc= 1.2 K(o=1.2,f=-0.32) USER MOD Single : A 35 LYS NZ :NH3+ 149:sc= 0.675 (180deg=0.167) USER MOD Single : A 36 MET CE :methyl 179:sc= -0.105 (180deg=-0.108) USER MOD Single : A 41 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ -151:sc= 0.837 (180deg=0.361) USER MOD Single : A 49 LYS NZ :NH3+ -148:sc= 1.17 (180deg=0.707) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 GLN : amide:sc= 0.992 K(o=0.99,f=-1.1) USER MOD Single : A 64 CYS SG : rot 76:sc= 0.432 USER MOD Single : A 65 CYS SG : rot 73:sc= 0.468 USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.026) USER MOD Single : A 70 HIS : no HE2:sc= 0.95 K(o=0.95,f=-2.9!) USER MOD Single : A 72 GLN : amide:sc= 1.11 K(o=1.1,f=-0.14) USER MOD Single : A 74 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 ASN : amide:sc= 0.674 K(o=0.67,f=0) USER MOD Single : A 86 HIS : no HD1:sc= -0.0772 X(o=-0.077,f=-0.076) USER MOD Single : B 722 ASN : amide:sc= -0.596 K(o=-0.6,f=0) USER MOD Single : B 726 MET CE :methyl 175:sc= -0.0501 (180deg=-0.0902) USER MOD Single : B 727 SER OG : rot 79:sc= 1.12 USER MOD Single : B 735 SER OG : rot 70:sc= 0.75 USER MOD Single : B 740 SER OG : rot 180:sc= 0 USER MOD Single : B 746 MET CE :methyl 161:sc= -5.54! (180deg=-5.83!) USER MOD ----------------------------------------------------------------- ATOM 43 N GLU A 4 51.180 -13.262 27.977 1.00 0.00 N ATOM 44 CA GLU A 4 50.568 -14.525 27.543 1.00 0.00 C ATOM 45 C GLU A 4 49.045 -14.462 27.391 1.00 0.00 C ATOM 46 O GLU A 4 48.509 -15.246 26.617 1.00 0.00 O ATOM 47 CB GLU A 4 50.917 -15.667 28.502 1.00 0.00 C ATOM 48 CG GLU A 4 52.406 -16.007 28.550 1.00 0.00 C ATOM 49 CD GLU A 4 52.959 -16.601 27.241 1.00 0.00 C ATOM 50 OE1 GLU A 4 52.398 -17.598 26.727 1.00 0.00 O ATOM 51 OE2 GLU A 4 53.970 -16.070 26.724 1.00 0.00 O ATOM 0 HA GLU A 4 50.988 -14.712 26.555 1.00 0.00 H new ATOM 0 HB2 GLU A 4 50.584 -15.400 29.505 1.00 0.00 H new ATOM 0 HB3 GLU A 4 50.361 -16.557 28.208 1.00 0.00 H new ATOM 0 HG2 GLU A 4 52.966 -15.104 28.791 1.00 0.00 H new ATOM 0 HG3 GLU A 4 52.580 -16.716 29.360 1.00 0.00 H new ATOM 58 N SER A 5 48.336 -13.550 28.067 1.00 0.00 N ATOM 59 CA SER A 5 46.870 -13.424 27.938 1.00 0.00 C ATOM 60 C SER A 5 46.434 -13.341 26.466 1.00 0.00 C ATOM 61 O SER A 5 45.510 -14.043 26.040 1.00 0.00 O ATOM 62 CB SER A 5 46.380 -12.209 28.736 1.00 0.00 C ATOM 63 OG SER A 5 44.967 -12.102 28.676 1.00 0.00 O ATOM 0 H SER A 5 48.753 -12.882 28.715 1.00 0.00 H new ATOM 0 HA SER A 5 46.410 -14.322 28.351 1.00 0.00 H new ATOM 0 HB2 SER A 5 46.698 -12.298 29.775 1.00 0.00 H new ATOM 0 HB3 SER A 5 46.835 -11.301 28.340 1.00 0.00 H new ATOM 0 HG SER A 5 44.676 -11.322 29.193 1.00 0.00 H new ATOM 69 N ARG A 6 47.161 -12.554 25.653 1.00 0.00 N ATOM 70 CA ARG A 6 46.945 -12.442 24.204 1.00 0.00 C ATOM 71 C ARG A 6 47.268 -13.752 23.477 1.00 0.00 C ATOM 72 O ARG A 6 46.460 -14.231 22.684 1.00 0.00 O ATOM 73 CB ARG A 6 47.814 -11.302 23.638 1.00 0.00 C ATOM 74 CG ARG A 6 47.559 -9.951 24.328 1.00 0.00 C ATOM 75 CD ARG A 6 48.324 -8.802 23.664 1.00 0.00 C ATOM 76 NE ARG A 6 49.792 -8.960 23.721 1.00 0.00 N ATOM 77 CZ ARG A 6 50.612 -8.599 24.687 1.00 0.00 C ATOM 78 NH1 ARG A 6 50.225 -8.085 25.818 1.00 0.00 N ATOM 79 NH2 ARG A 6 51.887 -8.747 24.519 1.00 0.00 N ATOM 0 H ARG A 6 47.926 -11.970 25.992 1.00 0.00 H new ATOM 0 HA ARG A 6 45.890 -12.223 24.039 1.00 0.00 H new ATOM 0 HB2 ARG A 6 48.866 -11.566 23.747 1.00 0.00 H new ATOM 0 HB3 ARG A 6 47.620 -11.201 22.570 1.00 0.00 H new ATOM 0 HG2 ARG A 6 46.491 -9.732 24.308 1.00 0.00 H new ATOM 0 HG3 ARG A 6 47.851 -10.021 25.376 1.00 0.00 H new ATOM 0 HD2 ARG A 6 48.015 -8.725 22.622 1.00 0.00 H new ATOM 0 HD3 ARG A 6 48.048 -7.865 24.148 1.00 0.00 H new ATOM 0 HE ARG A 6 50.225 -9.404 22.911 1.00 0.00 H new ATOM 0 HH11 ARG A 6 49.232 -7.940 25.999 1.00 0.00 H new ATOM 0 HH12 ARG A 6 50.915 -7.827 26.524 1.00 0.00 H new ATOM 0 HH21 ARG A 6 52.245 -9.139 23.648 1.00 0.00 H new ATOM 0 HH22 ARG A 6 52.534 -8.472 25.258 1.00 0.00 H new ATOM 93 N ARG A 7 48.434 -14.351 23.763 1.00 0.00 N ATOM 94 CA ARG A 7 48.936 -15.584 23.119 1.00 0.00 C ATOM 95 C ARG A 7 48.020 -16.785 23.339 1.00 0.00 C ATOM 96 O ARG A 7 47.674 -17.499 22.400 1.00 0.00 O ATOM 97 CB ARG A 7 50.353 -15.879 23.633 1.00 0.00 C ATOM 98 CG ARG A 7 51.305 -14.720 23.309 1.00 0.00 C ATOM 99 CD ARG A 7 52.670 -14.940 23.942 1.00 0.00 C ATOM 100 NE ARG A 7 53.524 -13.778 23.660 1.00 0.00 N ATOM 101 CZ ARG A 7 54.575 -13.336 24.315 1.00 0.00 C ATOM 102 NH1 ARG A 7 55.087 -13.935 25.351 1.00 0.00 N ATOM 103 NH2 ARG A 7 55.112 -12.230 23.897 1.00 0.00 N ATOM 0 H ARG A 7 49.074 -13.985 24.467 1.00 0.00 H new ATOM 0 HA ARG A 7 48.956 -15.413 22.043 1.00 0.00 H new ATOM 0 HB2 ARG A 7 50.327 -16.043 24.710 1.00 0.00 H new ATOM 0 HB3 ARG A 7 50.725 -16.798 23.180 1.00 0.00 H new ATOM 0 HG2 ARG A 7 51.413 -14.625 22.229 1.00 0.00 H new ATOM 0 HG3 ARG A 7 50.880 -13.784 23.671 1.00 0.00 H new ATOM 0 HD2 ARG A 7 52.567 -15.079 25.018 1.00 0.00 H new ATOM 0 HD3 ARG A 7 53.126 -15.847 23.546 1.00 0.00 H new ATOM 0 HE ARG A 7 53.264 -13.235 22.836 1.00 0.00 H new ATOM 0 HH11 ARG A 7 54.671 -14.799 25.698 1.00 0.00 H new ATOM 0 HH12 ARG A 7 55.905 -13.540 25.816 1.00 0.00 H new ATOM 0 HH21 ARG A 7 54.717 -11.743 23.092 1.00 0.00 H new ATOM 0 HH22 ARG A 7 55.929 -11.848 24.373 1.00 0.00 H new ATOM 117 N LEU A 8 47.603 -16.982 24.584 1.00 0.00 N ATOM 118 CA LEU A 8 46.709 -18.054 25.013 1.00 0.00 C ATOM 119 C LEU A 8 45.303 -17.883 24.408 1.00 0.00 C ATOM 120 O LEU A 8 44.692 -18.871 24.006 1.00 0.00 O ATOM 121 CB LEU A 8 46.716 -18.101 26.554 1.00 0.00 C ATOM 122 CG LEU A 8 48.110 -18.409 27.154 1.00 0.00 C ATOM 123 CD1 LEU A 8 48.095 -18.234 28.672 1.00 0.00 C ATOM 124 CD2 LEU A 8 48.610 -19.817 26.830 1.00 0.00 C ATOM 0 H LEU A 8 47.889 -16.376 25.353 1.00 0.00 H new ATOM 0 HA LEU A 8 47.059 -19.018 24.643 1.00 0.00 H new ATOM 0 HB2 LEU A 8 46.366 -17.144 26.941 1.00 0.00 H new ATOM 0 HB3 LEU A 8 46.009 -18.859 26.890 1.00 0.00 H new ATOM 0 HG LEU A 8 48.794 -17.697 26.692 1.00 0.00 H new ATOM 0 HD11 LEU A 8 49.084 -18.455 29.074 1.00 0.00 H new ATOM 0 HD12 LEU A 8 47.825 -17.207 28.917 1.00 0.00 H new ATOM 0 HD13 LEU A 8 47.365 -18.915 29.110 1.00 0.00 H new ATOM 0 HD21 LEU A 8 49.591 -19.967 27.280 1.00 0.00 H new ATOM 0 HD22 LEU A 8 47.911 -20.552 27.229 1.00 0.00 H new ATOM 0 HD23 LEU A 8 48.684 -19.937 25.749 1.00 0.00 H new ATOM 136 N SER A 9 44.814 -16.643 24.259 1.00 0.00 N ATOM 137 CA SER A 9 43.529 -16.369 23.590 1.00 0.00 C ATOM 138 C SER A 9 43.591 -16.714 22.093 1.00 0.00 C ATOM 139 O SER A 9 42.658 -17.317 21.557 1.00 0.00 O ATOM 140 CB SER A 9 43.103 -14.908 23.770 1.00 0.00 C ATOM 141 OG SER A 9 42.929 -14.596 25.143 1.00 0.00 O ATOM 0 H SER A 9 45.292 -15.807 24.595 1.00 0.00 H new ATOM 0 HA SER A 9 42.783 -17.008 24.063 1.00 0.00 H new ATOM 0 HB2 SER A 9 43.856 -14.250 23.336 1.00 0.00 H new ATOM 0 HB3 SER A 9 42.173 -14.727 23.231 1.00 0.00 H new ATOM 0 HG SER A 9 43.799 -14.387 25.544 1.00 0.00 H new ATOM 147 N ILE A 10 44.710 -16.407 21.420 1.00 0.00 N ATOM 148 CA ILE A 10 44.939 -16.757 20.005 1.00 0.00 C ATOM 149 C ILE A 10 44.898 -18.283 19.819 1.00 0.00 C ATOM 150 O ILE A 10 44.283 -18.763 18.867 1.00 0.00 O ATOM 151 CB ILE A 10 46.256 -16.125 19.494 1.00 0.00 C ATOM 152 CG1 ILE A 10 46.138 -14.585 19.452 1.00 0.00 C ATOM 153 CG2 ILE A 10 46.633 -16.629 18.090 1.00 0.00 C ATOM 154 CD1 ILE A 10 47.494 -13.882 19.555 1.00 0.00 C ATOM 0 H ILE A 10 45.490 -15.904 21.844 1.00 0.00 H new ATOM 0 HA ILE A 10 44.136 -16.341 19.396 1.00 0.00 H new ATOM 0 HB ILE A 10 47.038 -16.424 20.192 1.00 0.00 H new ATOM 0 HG12 ILE A 10 45.650 -14.288 18.524 1.00 0.00 H new ATOM 0 HG13 ILE A 10 45.498 -14.252 20.269 1.00 0.00 H new ATOM 0 HG21 ILE A 10 47.564 -16.159 17.772 1.00 0.00 H new ATOM 0 HG22 ILE A 10 46.763 -17.711 18.115 1.00 0.00 H new ATOM 0 HG23 ILE A 10 45.840 -16.375 17.387 1.00 0.00 H new ATOM 0 HD11 ILE A 10 47.348 -12.802 19.520 1.00 0.00 H new ATOM 0 HD12 ILE A 10 47.974 -14.153 20.495 1.00 0.00 H new ATOM 0 HD13 ILE A 10 48.127 -14.189 18.723 1.00 0.00 H new ATOM 166 N GLN A 11 45.477 -19.070 20.738 1.00 0.00 N ATOM 167 CA GLN A 11 45.409 -20.540 20.689 1.00 0.00 C ATOM 168 C GLN A 11 43.960 -21.066 20.720 1.00 0.00 C ATOM 169 O GLN A 11 43.637 -22.004 19.987 1.00 0.00 O ATOM 170 CB GLN A 11 46.248 -21.173 21.814 1.00 0.00 C ATOM 171 CG GLN A 11 47.762 -20.971 21.646 1.00 0.00 C ATOM 172 CD GLN A 11 48.368 -21.708 20.451 1.00 0.00 C ATOM 173 OE1 GLN A 11 47.764 -22.547 19.794 1.00 0.00 O ATOM 174 NE2 GLN A 11 49.607 -21.421 20.126 1.00 0.00 N ATOM 0 H GLN A 11 46.004 -18.708 21.533 1.00 0.00 H new ATOM 0 HA GLN A 11 45.835 -20.840 19.732 1.00 0.00 H new ATOM 0 HB2 GLN A 11 45.938 -20.749 22.769 1.00 0.00 H new ATOM 0 HB3 GLN A 11 46.036 -22.241 21.856 1.00 0.00 H new ATOM 0 HG2 GLN A 11 47.965 -19.905 21.541 1.00 0.00 H new ATOM 0 HG3 GLN A 11 48.264 -21.303 22.555 1.00 0.00 H new ATOM 0 HE21 GLN A 11 50.126 -20.725 20.661 1.00 0.00 H new ATOM 0 HE22 GLN A 11 50.050 -21.894 19.338 1.00 0.00 H new ATOM 183 N ARG A 12 43.052 -20.445 21.493 1.00 0.00 N ATOM 184 CA ARG A 12 41.618 -20.818 21.496 1.00 0.00 C ATOM 185 C ARG A 12 40.971 -20.527 20.136 1.00 0.00 C ATOM 186 O ARG A 12 40.178 -21.332 19.645 1.00 0.00 O ATOM 187 CB ARG A 12 40.845 -20.101 22.620 1.00 0.00 C ATOM 188 CG ARG A 12 41.391 -20.317 24.041 1.00 0.00 C ATOM 189 CD ARG A 12 41.509 -21.794 24.440 1.00 0.00 C ATOM 190 NE ARG A 12 41.994 -21.934 25.827 1.00 0.00 N ATOM 191 CZ ARG A 12 42.208 -23.063 26.479 1.00 0.00 C ATOM 192 NH1 ARG A 12 41.990 -24.230 25.939 1.00 0.00 N ATOM 193 NH2 ARG A 12 42.651 -23.043 27.704 1.00 0.00 N ATOM 0 H ARG A 12 43.282 -19.680 22.127 1.00 0.00 H new ATOM 0 HA ARG A 12 41.565 -21.890 21.684 1.00 0.00 H new ATOM 0 HB2 ARG A 12 40.841 -19.031 22.410 1.00 0.00 H new ATOM 0 HB3 ARG A 12 39.808 -20.434 22.594 1.00 0.00 H new ATOM 0 HG2 ARG A 12 42.373 -19.850 24.118 1.00 0.00 H new ATOM 0 HG3 ARG A 12 40.739 -19.809 24.752 1.00 0.00 H new ATOM 0 HD2 ARG A 12 40.538 -22.279 24.341 1.00 0.00 H new ATOM 0 HD3 ARG A 12 42.191 -22.304 23.760 1.00 0.00 H new ATOM 0 HE ARG A 12 42.184 -21.070 26.335 1.00 0.00 H new ATOM 0 HH11 ARG A 12 41.643 -24.292 24.982 1.00 0.00 H new ATOM 0 HH12 ARG A 12 42.167 -25.080 26.474 1.00 0.00 H new ATOM 0 HH21 ARG A 12 42.835 -22.152 28.165 1.00 0.00 H new ATOM 0 HH22 ARG A 12 42.814 -23.918 28.202 1.00 0.00 H new ATOM 207 N CYS A 13 41.350 -19.418 19.497 1.00 0.00 N ATOM 208 CA CYS A 13 40.880 -19.062 18.155 1.00 0.00 C ATOM 209 C CYS A 13 41.403 -20.059 17.105 1.00 0.00 C ATOM 210 O CYS A 13 40.649 -20.476 16.228 1.00 0.00 O ATOM 211 CB CYS A 13 41.289 -17.622 17.815 1.00 0.00 C ATOM 212 SG CYS A 13 40.621 -16.457 19.038 1.00 0.00 S ATOM 0 H CYS A 13 41.995 -18.737 19.898 1.00 0.00 H new ATOM 0 HA CYS A 13 39.792 -19.118 18.141 1.00 0.00 H new ATOM 0 HB2 CYS A 13 42.376 -17.545 17.788 1.00 0.00 H new ATOM 0 HB3 CYS A 13 40.926 -17.361 16.821 1.00 0.00 H new ATOM 0 HG CYS A 13 41.263 -16.590 20.160 1.00 0.00 H new ATOM 218 N ILE A 14 42.667 -20.491 17.215 1.00 0.00 N ATOM 219 CA ILE A 14 43.273 -21.508 16.339 1.00 0.00 C ATOM 220 C ILE A 14 42.487 -22.819 16.449 1.00 0.00 C ATOM 221 O ILE A 14 42.068 -23.360 15.427 1.00 0.00 O ATOM 222 CB ILE A 14 44.774 -21.677 16.676 1.00 0.00 C ATOM 223 CG1 ILE A 14 45.533 -20.430 16.181 1.00 0.00 C ATOM 224 CG2 ILE A 14 45.386 -22.942 16.047 1.00 0.00 C ATOM 225 CD1 ILE A 14 46.914 -20.220 16.791 1.00 0.00 C ATOM 0 H ILE A 14 43.309 -20.139 17.926 1.00 0.00 H new ATOM 0 HA ILE A 14 43.219 -21.186 15.299 1.00 0.00 H new ATOM 0 HB ILE A 14 44.865 -21.787 17.757 1.00 0.00 H new ATOM 0 HG12 ILE A 14 45.639 -20.496 15.098 1.00 0.00 H new ATOM 0 HG13 ILE A 14 44.925 -19.549 16.389 1.00 0.00 H new ATOM 0 HG21 ILE A 14 46.440 -23.009 16.317 1.00 0.00 H new ATOM 0 HG22 ILE A 14 44.860 -23.823 16.416 1.00 0.00 H new ATOM 0 HG23 ILE A 14 45.292 -22.891 14.962 1.00 0.00 H new ATOM 0 HD11 ILE A 14 47.362 -19.317 16.376 1.00 0.00 H new ATOM 0 HD12 ILE A 14 46.822 -20.116 17.872 1.00 0.00 H new ATOM 0 HD13 ILE A 14 47.547 -21.077 16.562 1.00 0.00 H new ATOM 237 N GLN A 15 42.219 -23.301 17.668 1.00 0.00 N ATOM 238 CA GLN A 15 41.411 -24.509 17.884 1.00 0.00 C ATOM 239 C GLN A 15 39.996 -24.363 17.296 1.00 0.00 C ATOM 240 O GLN A 15 39.488 -25.300 16.681 1.00 0.00 O ATOM 241 CB GLN A 15 41.339 -24.848 19.383 1.00 0.00 C ATOM 242 CG GLN A 15 42.676 -25.344 19.958 1.00 0.00 C ATOM 243 CD GLN A 15 43.069 -26.714 19.409 1.00 0.00 C ATOM 244 OE1 GLN A 15 43.942 -26.855 18.563 1.00 0.00 O ATOM 245 NE2 GLN A 15 42.426 -27.772 19.857 1.00 0.00 N ATOM 0 H GLN A 15 42.554 -22.868 18.529 1.00 0.00 H new ATOM 0 HA GLN A 15 41.901 -25.329 17.360 1.00 0.00 H new ATOM 0 HB2 GLN A 15 41.020 -23.963 19.934 1.00 0.00 H new ATOM 0 HB3 GLN A 15 40.578 -25.612 19.540 1.00 0.00 H new ATOM 0 HG2 GLN A 15 43.459 -24.623 19.725 1.00 0.00 H new ATOM 0 HG3 GLN A 15 42.605 -25.397 21.044 1.00 0.00 H new ATOM 0 HE21 GLN A 15 41.697 -27.665 20.562 1.00 0.00 H new ATOM 0 HE22 GLN A 15 42.657 -28.699 19.499 1.00 0.00 H new ATOM 254 N SER A 16 39.374 -23.186 17.437 1.00 0.00 N ATOM 255 CA SER A 16 38.046 -22.898 16.874 1.00 0.00 C ATOM 256 C SER A 16 38.040 -22.951 15.340 1.00 0.00 C ATOM 257 O SER A 16 37.141 -23.555 14.752 1.00 0.00 O ATOM 258 CB SER A 16 37.550 -21.525 17.332 1.00 0.00 C ATOM 259 OG SER A 16 37.349 -21.496 18.736 1.00 0.00 O ATOM 0 H SER A 16 39.779 -22.401 17.948 1.00 0.00 H new ATOM 0 HA SER A 16 37.377 -23.675 17.244 1.00 0.00 H new ATOM 0 HB2 SER A 16 38.274 -20.761 17.049 1.00 0.00 H new ATOM 0 HB3 SER A 16 36.617 -21.284 16.823 1.00 0.00 H new ATOM 0 HG SER A 16 38.215 -21.426 19.189 1.00 0.00 H new ATOM 265 N LEU A 17 39.043 -22.362 14.674 1.00 0.00 N ATOM 266 CA LEU A 17 39.156 -22.402 13.210 1.00 0.00 C ATOM 267 C LEU A 17 39.467 -23.827 12.725 1.00 0.00 C ATOM 268 O LEU A 17 38.849 -24.295 11.771 1.00 0.00 O ATOM 269 CB LEU A 17 40.203 -21.374 12.738 1.00 0.00 C ATOM 270 CG LEU A 17 40.349 -21.263 11.205 1.00 0.00 C ATOM 271 CD1 LEU A 17 39.037 -20.957 10.470 1.00 0.00 C ATOM 272 CD2 LEU A 17 41.343 -20.149 10.873 1.00 0.00 C ATOM 0 H LEU A 17 39.795 -21.847 15.132 1.00 0.00 H new ATOM 0 HA LEU A 17 38.200 -22.125 12.765 1.00 0.00 H new ATOM 0 HB2 LEU A 17 39.937 -20.395 13.136 1.00 0.00 H new ATOM 0 HB3 LEU A 17 41.171 -21.639 13.164 1.00 0.00 H new ATOM 0 HG LEU A 17 40.691 -22.241 10.866 1.00 0.00 H new ATOM 0 HD11 LEU A 17 39.226 -20.895 9.398 1.00 0.00 H new ATOM 0 HD12 LEU A 17 38.316 -21.751 10.666 1.00 0.00 H new ATOM 0 HD13 LEU A 17 38.635 -20.007 10.823 1.00 0.00 H new ATOM 0 HD21 LEU A 17 41.449 -20.067 9.791 1.00 0.00 H new ATOM 0 HD22 LEU A 17 40.978 -19.204 11.275 1.00 0.00 H new ATOM 0 HD23 LEU A 17 42.311 -20.381 11.316 1.00 0.00 H new ATOM 284 N VAL A 18 40.371 -24.546 13.404 1.00 0.00 N ATOM 285 CA VAL A 18 40.701 -25.954 13.110 1.00 0.00 C ATOM 286 C VAL A 18 39.447 -26.832 13.213 1.00 0.00 C ATOM 287 O VAL A 18 39.204 -27.654 12.327 1.00 0.00 O ATOM 288 CB VAL A 18 41.823 -26.453 14.044 1.00 0.00 C ATOM 289 CG1 VAL A 18 41.950 -27.981 14.051 1.00 0.00 C ATOM 290 CG2 VAL A 18 43.179 -25.876 13.618 1.00 0.00 C ATOM 0 H VAL A 18 40.904 -24.163 14.185 1.00 0.00 H new ATOM 0 HA VAL A 18 41.069 -26.023 12.086 1.00 0.00 H new ATOM 0 HB VAL A 18 41.550 -26.115 15.044 1.00 0.00 H new ATOM 0 HG11 VAL A 18 42.754 -28.276 14.725 1.00 0.00 H new ATOM 0 HG12 VAL A 18 41.013 -28.422 14.390 1.00 0.00 H new ATOM 0 HG13 VAL A 18 42.173 -28.332 13.044 1.00 0.00 H new ATOM 0 HG21 VAL A 18 43.957 -26.240 14.290 1.00 0.00 H new ATOM 0 HG22 VAL A 18 43.404 -26.190 12.599 1.00 0.00 H new ATOM 0 HG23 VAL A 18 43.142 -24.788 13.663 1.00 0.00 H new ATOM 300 N HIS A 19 38.629 -26.647 14.255 1.00 0.00 N ATOM 301 CA HIS A 19 37.352 -27.349 14.417 1.00 0.00 C ATOM 302 C HIS A 19 36.429 -27.030 13.230 1.00 0.00 C ATOM 303 O HIS A 19 35.969 -27.947 12.550 1.00 0.00 O ATOM 304 CB HIS A 19 36.704 -26.965 15.762 1.00 0.00 C ATOM 305 CG HIS A 19 35.322 -27.548 15.968 1.00 0.00 C ATOM 306 ND1 HIS A 19 34.981 -28.604 16.785 1.00 0.00 N ATOM 307 CD2 HIS A 19 34.162 -27.123 15.370 1.00 0.00 C ATOM 308 CE1 HIS A 19 33.655 -28.812 16.669 1.00 0.00 C ATOM 309 NE2 HIS A 19 33.106 -27.937 15.805 1.00 0.00 N ATOM 0 H HIS A 19 38.837 -26.000 15.016 1.00 0.00 H new ATOM 0 HA HIS A 19 37.524 -28.425 14.429 1.00 0.00 H new ATOM 0 HB2 HIS A 19 37.352 -27.297 16.574 1.00 0.00 H new ATOM 0 HB3 HIS A 19 36.642 -25.879 15.827 1.00 0.00 H new ATOM 0 HD2 HIS A 19 34.077 -26.298 14.679 1.00 0.00 H new ATOM 0 HE1 HIS A 19 33.106 -29.577 17.198 1.00 0.00 H new ATOM 0 HE2 HIS A 19 32.127 -27.878 15.525 1.00 0.00 H new ATOM 317 N ALA A 20 36.196 -25.747 12.932 1.00 0.00 N ATOM 318 CA ALA A 20 35.348 -25.312 11.819 1.00 0.00 C ATOM 319 C ALA A 20 35.793 -25.858 10.448 1.00 0.00 C ATOM 320 O ALA A 20 34.946 -26.161 9.605 1.00 0.00 O ATOM 321 CB ALA A 20 35.299 -23.783 11.823 1.00 0.00 C ATOM 0 H ALA A 20 36.596 -24.974 13.463 1.00 0.00 H new ATOM 0 HA ALA A 20 34.352 -25.727 11.971 1.00 0.00 H new ATOM 0 HB1 ALA A 20 34.672 -23.437 11.001 1.00 0.00 H new ATOM 0 HB2 ALA A 20 34.883 -23.435 12.768 1.00 0.00 H new ATOM 0 HB3 ALA A 20 36.307 -23.386 11.702 1.00 0.00 H new ATOM 327 N CYS A 21 37.103 -26.033 10.227 1.00 0.00 N ATOM 328 CA CYS A 21 37.662 -26.614 8.998 1.00 0.00 C ATOM 329 C CYS A 21 37.335 -28.117 8.829 1.00 0.00 C ATOM 330 O CYS A 21 37.516 -28.664 7.740 1.00 0.00 O ATOM 331 CB CYS A 21 39.179 -26.374 8.972 1.00 0.00 C ATOM 332 SG CYS A 21 39.526 -24.608 8.719 1.00 0.00 S ATOM 0 H CYS A 21 37.816 -25.771 10.908 1.00 0.00 H new ATOM 0 HA CYS A 21 37.190 -26.114 8.152 1.00 0.00 H new ATOM 0 HB2 CYS A 21 39.625 -26.710 9.908 1.00 0.00 H new ATOM 0 HB3 CYS A 21 39.634 -26.960 8.174 1.00 0.00 H new ATOM 0 HG CYS A 21 39.360 -23.968 9.839 1.00 0.00 H new ATOM 338 N GLN A 22 36.848 -28.782 9.883 1.00 0.00 N ATOM 339 CA GLN A 22 36.468 -30.205 9.905 1.00 0.00 C ATOM 340 C GLN A 22 34.966 -30.423 10.177 1.00 0.00 C ATOM 341 O GLN A 22 34.430 -31.481 9.838 1.00 0.00 O ATOM 342 CB GLN A 22 37.283 -30.919 10.996 1.00 0.00 C ATOM 343 CG GLN A 22 38.795 -30.913 10.730 1.00 0.00 C ATOM 344 CD GLN A 22 39.561 -31.348 11.971 1.00 0.00 C ATOM 345 OE1 GLN A 22 39.891 -32.511 12.169 1.00 0.00 O ATOM 346 NE2 GLN A 22 39.863 -30.423 12.856 1.00 0.00 N ATOM 0 H GLN A 22 36.701 -28.327 10.784 1.00 0.00 H new ATOM 0 HA GLN A 22 36.679 -30.614 8.917 1.00 0.00 H new ATOM 0 HB2 GLN A 22 37.089 -30.441 11.956 1.00 0.00 H new ATOM 0 HB3 GLN A 22 36.940 -31.950 11.079 1.00 0.00 H new ATOM 0 HG2 GLN A 22 39.026 -31.582 9.901 1.00 0.00 H new ATOM 0 HG3 GLN A 22 39.113 -29.914 10.432 1.00 0.00 H new ATOM 0 HE21 GLN A 22 39.590 -29.454 12.694 1.00 0.00 H new ATOM 0 HE22 GLN A 22 40.371 -30.675 13.704 1.00 0.00 H new ATOM 355 N CYS A 23 34.288 -29.444 10.786 1.00 0.00 N ATOM 356 CA CYS A 23 32.871 -29.475 11.134 1.00 0.00 C ATOM 357 C CYS A 23 31.937 -29.419 9.904 1.00 0.00 C ATOM 358 O CYS A 23 32.357 -29.184 8.765 1.00 0.00 O ATOM 359 CB CYS A 23 32.622 -28.352 12.153 1.00 0.00 C ATOM 360 SG CYS A 23 31.036 -28.575 13.014 1.00 0.00 S ATOM 0 H CYS A 23 34.737 -28.570 11.061 1.00 0.00 H new ATOM 0 HA CYS A 23 32.622 -30.435 11.586 1.00 0.00 H new ATOM 0 HB2 CYS A 23 33.433 -28.333 12.881 1.00 0.00 H new ATOM 0 HB3 CYS A 23 32.628 -27.388 11.643 1.00 0.00 H new ATOM 0 HG CYS A 23 30.877 -29.830 13.312 1.00 0.00 H new ATOM 365 N ARG A 24 30.647 -29.657 10.152 1.00 0.00 N ATOM 366 CA ARG A 24 29.540 -29.684 9.172 1.00 0.00 C ATOM 367 C ARG A 24 28.227 -29.084 9.697 1.00 0.00 C ATOM 368 O ARG A 24 27.344 -28.775 8.897 1.00 0.00 O ATOM 369 CB ARG A 24 29.271 -31.133 8.714 1.00 0.00 C ATOM 370 CG ARG A 24 30.268 -31.695 7.684 1.00 0.00 C ATOM 371 CD ARG A 24 31.469 -32.426 8.300 1.00 0.00 C ATOM 372 NE ARG A 24 32.402 -32.909 7.263 1.00 0.00 N ATOM 373 CZ ARG A 24 33.314 -32.204 6.610 1.00 0.00 C ATOM 374 NH1 ARG A 24 33.508 -30.931 6.813 1.00 0.00 N ATOM 375 NH2 ARG A 24 34.057 -32.780 5.708 1.00 0.00 N ATOM 0 H ARG A 24 30.319 -29.849 11.099 1.00 0.00 H new ATOM 0 HA ARG A 24 29.870 -29.061 8.340 1.00 0.00 H new ATOM 0 HB2 ARG A 24 29.277 -31.780 9.591 1.00 0.00 H new ATOM 0 HB3 ARG A 24 28.269 -31.182 8.288 1.00 0.00 H new ATOM 0 HG2 ARG A 24 29.740 -32.382 7.022 1.00 0.00 H new ATOM 0 HG3 ARG A 24 30.635 -30.875 7.066 1.00 0.00 H new ATOM 0 HD2 ARG A 24 31.995 -31.755 8.979 1.00 0.00 H new ATOM 0 HD3 ARG A 24 31.117 -33.269 8.894 1.00 0.00 H new ATOM 0 HE ARG A 24 32.337 -33.898 7.022 1.00 0.00 H new ATOM 0 HH11 ARG A 24 32.944 -30.433 7.501 1.00 0.00 H new ATOM 0 HH12 ARG A 24 34.224 -30.433 6.284 1.00 0.00 H new ATOM 0 HH21 ARG A 24 33.936 -33.772 5.505 1.00 0.00 H new ATOM 0 HH22 ARG A 24 34.760 -32.239 5.204 1.00 0.00 H new ATOM 389 N ASN A 25 28.080 -28.912 11.012 1.00 0.00 N ATOM 390 CA ASN A 25 26.875 -28.365 11.642 1.00 0.00 C ATOM 391 C ASN A 25 26.595 -26.921 11.182 1.00 0.00 C ATOM 392 O ASN A 25 27.439 -26.040 11.368 1.00 0.00 O ATOM 393 CB ASN A 25 27.053 -28.388 13.169 1.00 0.00 C ATOM 394 CG ASN A 25 27.263 -29.761 13.779 1.00 0.00 C ATOM 395 OD1 ASN A 25 26.627 -30.744 13.416 1.00 0.00 O ATOM 396 ND2 ASN A 25 28.159 -29.865 14.729 1.00 0.00 N ATOM 0 H ASN A 25 28.809 -29.154 11.683 1.00 0.00 H new ATOM 0 HA ASN A 25 26.026 -28.981 11.345 1.00 0.00 H new ATOM 0 HB2 ASN A 25 27.905 -27.760 13.428 1.00 0.00 H new ATOM 0 HB3 ASN A 25 26.173 -27.936 13.627 1.00 0.00 H new ATOM 0 HD21 ASN A 25 28.331 -30.768 15.171 1.00 0.00 H new ATOM 0 HD22 ASN A 25 28.685 -29.043 15.026 1.00 0.00 H new ATOM 403 N ALA A 26 25.408 -26.657 10.626 1.00 0.00 N ATOM 404 CA ALA A 26 24.999 -25.311 10.203 1.00 0.00 C ATOM 405 C ALA A 26 24.873 -24.320 11.383 1.00 0.00 C ATOM 406 O ALA A 26 25.020 -23.109 11.206 1.00 0.00 O ATOM 407 CB ALA A 26 23.678 -25.431 9.431 1.00 0.00 C ATOM 0 H ALA A 26 24.701 -27.372 10.456 1.00 0.00 H new ATOM 0 HA ALA A 26 25.776 -24.897 9.561 1.00 0.00 H new ATOM 0 HB1 ALA A 26 23.355 -24.442 9.107 1.00 0.00 H new ATOM 0 HB2 ALA A 26 23.823 -26.069 8.559 1.00 0.00 H new ATOM 0 HB3 ALA A 26 22.917 -25.867 10.078 1.00 0.00 H new ATOM 413 N ASN A 27 24.616 -24.843 12.588 1.00 0.00 N ATOM 414 CA ASN A 27 24.447 -24.109 13.844 1.00 0.00 C ATOM 415 C ASN A 27 25.105 -24.884 15.012 1.00 0.00 C ATOM 416 O ASN A 27 24.441 -25.230 15.994 1.00 0.00 O ATOM 417 CB ASN A 27 22.945 -23.825 14.066 1.00 0.00 C ATOM 418 CG ASN A 27 22.367 -22.851 13.051 1.00 0.00 C ATOM 419 OD1 ASN A 27 22.464 -21.639 13.192 1.00 0.00 O ATOM 420 ND2 ASN A 27 21.743 -23.340 12.001 1.00 0.00 N ATOM 0 H ASN A 27 24.515 -25.850 12.718 1.00 0.00 H new ATOM 0 HA ASN A 27 24.956 -23.146 13.796 1.00 0.00 H new ATOM 0 HB2 ASN A 27 22.392 -24.763 14.016 1.00 0.00 H new ATOM 0 HB3 ASN A 27 22.801 -23.423 15.069 1.00 0.00 H new ATOM 0 HD21 ASN A 27 21.342 -22.710 11.307 1.00 0.00 H new ATOM 0 HD22 ASN A 27 21.661 -24.350 11.881 1.00 0.00 H new ATOM 427 N CYS A 28 26.401 -25.202 14.874 1.00 0.00 N ATOM 428 CA CYS A 28 27.207 -25.939 15.855 1.00 0.00 C ATOM 429 C CYS A 28 27.101 -25.352 17.280 1.00 0.00 C ATOM 430 O CYS A 28 26.892 -24.148 17.454 1.00 0.00 O ATOM 431 CB CYS A 28 28.663 -25.935 15.361 1.00 0.00 C ATOM 432 SG CYS A 28 29.585 -27.353 16.027 1.00 0.00 S ATOM 0 H CYS A 28 26.935 -24.943 14.045 1.00 0.00 H new ATOM 0 HA CYS A 28 26.828 -26.958 15.932 1.00 0.00 H new ATOM 0 HB2 CYS A 28 28.681 -25.965 14.272 1.00 0.00 H new ATOM 0 HB3 CYS A 28 29.150 -25.007 15.662 1.00 0.00 H new ATOM 0 HG CYS A 28 30.206 -27.960 15.060 1.00 0.00 H new ATOM 437 N SER A 29 27.257 -26.181 18.316 1.00 0.00 N ATOM 438 CA SER A 29 27.164 -25.737 19.716 1.00 0.00 C ATOM 439 C SER A 29 28.261 -24.749 20.147 1.00 0.00 C ATOM 440 O SER A 29 28.080 -24.038 21.140 1.00 0.00 O ATOM 441 CB SER A 29 27.120 -26.939 20.667 1.00 0.00 C ATOM 442 OG SER A 29 28.297 -27.727 20.558 1.00 0.00 O ATOM 0 H SER A 29 27.451 -27.177 18.212 1.00 0.00 H new ATOM 0 HA SER A 29 26.228 -25.182 19.780 1.00 0.00 H new ATOM 0 HB2 SER A 29 27.008 -26.589 21.693 1.00 0.00 H new ATOM 0 HB3 SER A 29 26.247 -27.552 20.442 1.00 0.00 H new ATOM 0 HG SER A 29 28.242 -28.485 21.177 1.00 0.00 H new ATOM 448 N LEU A 30 29.369 -24.648 19.400 1.00 0.00 N ATOM 449 CA LEU A 30 30.429 -23.669 19.658 1.00 0.00 C ATOM 450 C LEU A 30 30.043 -22.303 19.052 1.00 0.00 C ATOM 451 O LEU A 30 29.732 -22.231 17.859 1.00 0.00 O ATOM 452 CB LEU A 30 31.765 -24.158 19.065 1.00 0.00 C ATOM 453 CG LEU A 30 32.548 -25.144 19.951 1.00 0.00 C ATOM 454 CD1 LEU A 30 33.793 -25.618 19.200 1.00 0.00 C ATOM 455 CD2 LEU A 30 33.015 -24.502 21.264 1.00 0.00 C ATOM 0 H LEU A 30 29.554 -25.247 18.596 1.00 0.00 H new ATOM 0 HA LEU A 30 30.549 -23.556 20.735 1.00 0.00 H new ATOM 0 HB2 LEU A 30 31.566 -24.634 18.105 1.00 0.00 H new ATOM 0 HB3 LEU A 30 32.396 -23.292 18.866 1.00 0.00 H new ATOM 0 HG LEU A 30 31.876 -25.970 20.183 1.00 0.00 H new ATOM 0 HD11 LEU A 30 34.350 -26.317 19.824 1.00 0.00 H new ATOM 0 HD12 LEU A 30 33.494 -26.115 18.277 1.00 0.00 H new ATOM 0 HD13 LEU A 30 34.423 -24.761 18.963 1.00 0.00 H new ATOM 0 HD21 LEU A 30 33.562 -25.237 21.854 1.00 0.00 H new ATOM 0 HD22 LEU A 30 33.666 -23.656 21.044 1.00 0.00 H new ATOM 0 HD23 LEU A 30 32.149 -24.156 21.828 1.00 0.00 H new ATOM 467 N PRO A 31 30.085 -21.201 19.830 1.00 0.00 N ATOM 468 CA PRO A 31 29.748 -19.866 19.328 1.00 0.00 C ATOM 469 C PRO A 31 30.739 -19.380 18.258 1.00 0.00 C ATOM 470 O PRO A 31 30.354 -18.667 17.330 1.00 0.00 O ATOM 471 CB PRO A 31 29.737 -18.959 20.564 1.00 0.00 C ATOM 472 CG PRO A 31 30.677 -19.664 21.543 1.00 0.00 C ATOM 473 CD PRO A 31 30.457 -21.140 21.236 1.00 0.00 C ATOM 0 HA PRO A 31 28.782 -19.862 18.824 1.00 0.00 H new ATOM 0 HB2 PRO A 31 30.087 -17.955 20.326 1.00 0.00 H new ATOM 0 HB3 PRO A 31 28.733 -18.857 20.976 1.00 0.00 H new ATOM 0 HG2 PRO A 31 31.715 -19.371 21.386 1.00 0.00 H new ATOM 0 HG3 PRO A 31 30.431 -19.427 22.578 1.00 0.00 H new ATOM 0 HD2 PRO A 31 31.361 -21.718 21.427 1.00 0.00 H new ATOM 0 HD3 PRO A 31 29.672 -21.558 21.867 1.00 0.00 H new ATOM 481 N SER A 32 32.008 -19.788 18.359 1.00 0.00 N ATOM 482 CA SER A 32 33.060 -19.456 17.394 1.00 0.00 C ATOM 483 C SER A 32 32.904 -20.231 16.081 1.00 0.00 C ATOM 484 O SER A 32 32.981 -19.614 15.026 1.00 0.00 O ATOM 485 CB SER A 32 34.434 -19.714 18.011 1.00 0.00 C ATOM 486 OG SER A 32 34.494 -21.025 18.555 1.00 0.00 O ATOM 0 H SER A 32 32.339 -20.370 19.129 1.00 0.00 H new ATOM 0 HA SER A 32 32.966 -18.397 17.153 1.00 0.00 H new ATOM 0 HB2 SER A 32 35.209 -19.592 17.254 1.00 0.00 H new ATOM 0 HB3 SER A 32 34.633 -18.980 18.792 1.00 0.00 H new ATOM 0 HG SER A 32 35.429 -21.269 18.719 1.00 0.00 H new ATOM 492 N CYS A 33 32.643 -21.541 16.111 1.00 0.00 N ATOM 493 CA CYS A 33 32.422 -22.399 14.935 1.00 0.00 C ATOM 494 C CYS A 33 31.383 -21.797 13.957 1.00 0.00 C ATOM 495 O CYS A 33 31.645 -21.659 12.755 1.00 0.00 O ATOM 496 CB CYS A 33 32.023 -23.788 15.471 1.00 0.00 C ATOM 497 SG CYS A 33 31.790 -25.037 14.168 1.00 0.00 S ATOM 0 H CYS A 33 32.576 -22.057 16.988 1.00 0.00 H new ATOM 0 HA CYS A 33 33.329 -22.481 14.336 1.00 0.00 H new ATOM 0 HB2 CYS A 33 32.791 -24.135 16.162 1.00 0.00 H new ATOM 0 HB3 CYS A 33 31.099 -23.695 16.042 1.00 0.00 H new ATOM 0 HG CYS A 33 31.183 -26.074 14.664 1.00 0.00 H new ATOM 502 N GLN A 34 30.239 -21.339 14.488 1.00 0.00 N ATOM 503 CA GLN A 34 29.174 -20.661 13.729 1.00 0.00 C ATOM 504 C GLN A 34 29.675 -19.428 12.942 1.00 0.00 C ATOM 505 O GLN A 34 29.159 -19.121 11.865 1.00 0.00 O ATOM 506 CB GLN A 34 28.061 -20.203 14.688 1.00 0.00 C ATOM 507 CG GLN A 34 27.291 -21.336 15.389 1.00 0.00 C ATOM 508 CD GLN A 34 26.248 -20.803 16.380 1.00 0.00 C ATOM 509 OE1 GLN A 34 25.717 -19.706 16.260 1.00 0.00 O ATOM 510 NE2 GLN A 34 25.899 -21.551 17.404 1.00 0.00 N ATOM 0 H GLN A 34 30.023 -21.431 15.480 1.00 0.00 H new ATOM 0 HA GLN A 34 28.803 -21.389 13.007 1.00 0.00 H new ATOM 0 HB2 GLN A 34 28.502 -19.560 15.450 1.00 0.00 H new ATOM 0 HB3 GLN A 34 27.350 -19.594 14.129 1.00 0.00 H new ATOM 0 HG2 GLN A 34 26.795 -21.953 14.640 1.00 0.00 H new ATOM 0 HG3 GLN A 34 27.995 -21.979 15.917 1.00 0.00 H new ATOM 0 HE21 GLN A 34 26.323 -22.470 17.532 1.00 0.00 H new ATOM 0 HE22 GLN A 34 25.205 -21.212 18.070 1.00 0.00 H new ATOM 519 N LYS A 35 30.685 -18.726 13.472 1.00 0.00 N ATOM 520 CA LYS A 35 31.309 -17.526 12.894 1.00 0.00 C ATOM 521 C LYS A 35 32.481 -17.886 11.976 1.00 0.00 C ATOM 522 O LYS A 35 32.562 -17.371 10.864 1.00 0.00 O ATOM 523 CB LYS A 35 31.722 -16.631 14.077 1.00 0.00 C ATOM 524 CG LYS A 35 32.384 -15.302 13.702 1.00 0.00 C ATOM 525 CD LYS A 35 32.726 -14.536 14.991 1.00 0.00 C ATOM 526 CE LYS A 35 33.472 -13.248 14.643 1.00 0.00 C ATOM 527 NZ LYS A 35 33.836 -12.457 15.846 1.00 0.00 N ATOM 0 H LYS A 35 31.111 -18.992 14.360 1.00 0.00 H new ATOM 0 HA LYS A 35 30.612 -16.989 12.251 1.00 0.00 H new ATOM 0 HB2 LYS A 35 30.836 -16.419 14.675 1.00 0.00 H new ATOM 0 HB3 LYS A 35 32.408 -17.192 14.711 1.00 0.00 H new ATOM 0 HG2 LYS A 35 33.287 -15.482 13.119 1.00 0.00 H new ATOM 0 HG3 LYS A 35 31.715 -14.710 13.078 1.00 0.00 H new ATOM 0 HD2 LYS A 35 31.813 -14.302 15.539 1.00 0.00 H new ATOM 0 HD3 LYS A 35 33.339 -15.158 15.643 1.00 0.00 H new ATOM 0 HE2 LYS A 35 34.377 -13.495 14.088 1.00 0.00 H new ATOM 0 HE3 LYS A 35 32.851 -12.639 13.986 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 34.719 -11.938 15.666 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 33.075 -11.781 16.061 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 33.969 -13.097 16.655 1.00 0.00 H new ATOM 541 N MET A 36 33.347 -18.813 12.390 1.00 0.00 N ATOM 542 CA MET A 36 34.497 -19.310 11.620 1.00 0.00 C ATOM 543 C MET A 36 34.079 -19.851 10.246 1.00 0.00 C ATOM 544 O MET A 36 34.762 -19.605 9.251 1.00 0.00 O ATOM 545 CB MET A 36 35.231 -20.397 12.421 1.00 0.00 C ATOM 546 CG MET A 36 35.987 -19.866 13.644 1.00 0.00 C ATOM 547 SD MET A 36 37.369 -18.772 13.208 1.00 0.00 S ATOM 548 CE MET A 36 38.259 -18.694 14.783 1.00 0.00 C ATOM 0 H MET A 36 33.267 -19.257 13.305 1.00 0.00 H new ATOM 0 HA MET A 36 35.169 -18.469 11.446 1.00 0.00 H new ATOM 0 HB2 MET A 36 34.507 -21.143 12.750 1.00 0.00 H new ATOM 0 HB3 MET A 36 35.936 -20.905 11.763 1.00 0.00 H new ATOM 0 HG2 MET A 36 35.292 -19.325 14.286 1.00 0.00 H new ATOM 0 HG3 MET A 36 36.367 -20.708 14.223 1.00 0.00 H new ATOM 0 HE1 MET A 36 39.146 -18.071 14.669 1.00 0.00 H new ATOM 0 HE2 MET A 36 37.610 -18.266 15.547 1.00 0.00 H new ATOM 0 HE3 MET A 36 38.558 -19.699 15.082 1.00 0.00 H new ATOM 558 N LYS A 37 32.931 -20.536 10.165 1.00 0.00 N ATOM 559 CA LYS A 37 32.368 -21.027 8.896 1.00 0.00 C ATOM 560 C LYS A 37 32.010 -19.873 7.954 1.00 0.00 C ATOM 561 O LYS A 37 32.381 -19.914 6.784 1.00 0.00 O ATOM 562 CB LYS A 37 31.148 -21.918 9.187 1.00 0.00 C ATOM 563 CG LYS A 37 31.597 -23.301 9.684 1.00 0.00 C ATOM 564 CD LYS A 37 30.446 -24.074 10.331 1.00 0.00 C ATOM 565 CE LYS A 37 30.936 -25.470 10.725 1.00 0.00 C ATOM 566 NZ LYS A 37 30.209 -25.977 11.898 1.00 0.00 N ATOM 0 H LYS A 37 32.363 -20.767 10.980 1.00 0.00 H new ATOM 0 HA LYS A 37 33.124 -21.623 8.384 1.00 0.00 H new ATOM 0 HB2 LYS A 37 30.515 -21.444 9.937 1.00 0.00 H new ATOM 0 HB3 LYS A 37 30.547 -22.027 8.285 1.00 0.00 H new ATOM 0 HG2 LYS A 37 31.996 -23.876 8.848 1.00 0.00 H new ATOM 0 HG3 LYS A 37 32.406 -23.183 10.405 1.00 0.00 H new ATOM 0 HD2 LYS A 37 30.083 -23.541 11.210 1.00 0.00 H new ATOM 0 HD3 LYS A 37 29.609 -24.152 9.637 1.00 0.00 H new ATOM 0 HE2 LYS A 37 30.803 -26.155 9.887 1.00 0.00 H new ATOM 0 HE3 LYS A 37 32.004 -25.436 10.942 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 30.450 -26.977 12.050 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 30.476 -25.425 12.738 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 29.185 -25.889 11.737 1.00 0.00 H new ATOM 580 N ARG A 38 31.359 -18.811 8.449 1.00 0.00 N ATOM 581 CA ARG A 38 31.005 -17.616 7.652 1.00 0.00 C ATOM 582 C ARG A 38 32.257 -16.856 7.203 1.00 0.00 C ATOM 583 O ARG A 38 32.328 -16.382 6.071 1.00 0.00 O ATOM 584 CB ARG A 38 30.049 -16.721 8.461 1.00 0.00 C ATOM 585 CG ARG A 38 28.703 -17.427 8.721 1.00 0.00 C ATOM 586 CD ARG A 38 27.801 -16.633 9.669 1.00 0.00 C ATOM 587 NE ARG A 38 27.364 -15.355 9.075 1.00 0.00 N ATOM 588 CZ ARG A 38 26.919 -14.301 9.731 1.00 0.00 C ATOM 589 NH1 ARG A 38 26.779 -14.281 11.024 1.00 0.00 N ATOM 590 NH2 ARG A 38 26.594 -13.210 9.107 1.00 0.00 N ATOM 0 H ARG A 38 31.058 -18.752 9.422 1.00 0.00 H new ATOM 0 HA ARG A 38 30.492 -17.934 6.744 1.00 0.00 H new ATOM 0 HB2 ARG A 38 30.513 -16.457 9.411 1.00 0.00 H new ATOM 0 HB3 ARG A 38 29.875 -15.790 7.921 1.00 0.00 H new ATOM 0 HG2 ARG A 38 28.186 -17.578 7.773 1.00 0.00 H new ATOM 0 HG3 ARG A 38 28.889 -18.414 9.143 1.00 0.00 H new ATOM 0 HD2 ARG A 38 26.927 -17.232 9.924 1.00 0.00 H new ATOM 0 HD3 ARG A 38 28.335 -16.437 10.599 1.00 0.00 H new ATOM 0 HE ARG A 38 27.411 -15.279 8.059 1.00 0.00 H new ATOM 0 HH11 ARG A 38 27.018 -15.105 11.576 1.00 0.00 H new ATOM 0 HH12 ARG A 38 26.431 -13.441 11.486 1.00 0.00 H new ATOM 0 HH21 ARG A 38 26.681 -13.158 8.092 1.00 0.00 H new ATOM 0 HH22 ARG A 38 26.252 -12.405 9.632 1.00 0.00 H new ATOM 604 N VAL A 39 33.263 -16.795 8.075 1.00 0.00 N ATOM 605 CA VAL A 39 34.572 -16.181 7.815 1.00 0.00 C ATOM 606 C VAL A 39 35.313 -16.903 6.685 1.00 0.00 C ATOM 607 O VAL A 39 35.668 -16.262 5.694 1.00 0.00 O ATOM 608 CB VAL A 39 35.397 -16.178 9.117 1.00 0.00 C ATOM 609 CG1 VAL A 39 36.862 -15.827 8.929 1.00 0.00 C ATOM 610 CG2 VAL A 39 34.883 -15.140 10.105 1.00 0.00 C ATOM 0 H VAL A 39 33.190 -17.184 9.015 1.00 0.00 H new ATOM 0 HA VAL A 39 34.424 -15.153 7.486 1.00 0.00 H new ATOM 0 HB VAL A 39 35.293 -17.202 9.476 1.00 0.00 H new ATOM 0 HG11 VAL A 39 37.368 -15.848 9.894 1.00 0.00 H new ATOM 0 HG12 VAL A 39 37.327 -16.551 8.260 1.00 0.00 H new ATOM 0 HG13 VAL A 39 36.945 -14.829 8.498 1.00 0.00 H new ATOM 0 HG21 VAL A 39 35.489 -15.168 11.010 1.00 0.00 H new ATOM 0 HG22 VAL A 39 34.946 -14.149 9.657 1.00 0.00 H new ATOM 0 HG23 VAL A 39 33.845 -15.360 10.357 1.00 0.00 H new ATOM 620 N VAL A 40 35.530 -18.224 6.786 1.00 0.00 N ATOM 621 CA VAL A 40 36.225 -18.976 5.723 1.00 0.00 C ATOM 622 C VAL A 40 35.431 -18.927 4.410 1.00 0.00 C ATOM 623 O VAL A 40 36.024 -18.709 3.359 1.00 0.00 O ATOM 624 CB VAL A 40 36.614 -20.403 6.164 1.00 0.00 C ATOM 625 CG1 VAL A 40 35.472 -21.422 6.122 1.00 0.00 C ATOM 626 CG2 VAL A 40 37.770 -20.922 5.299 1.00 0.00 C ATOM 0 H VAL A 40 35.239 -18.791 7.583 1.00 0.00 H new ATOM 0 HA VAL A 40 37.176 -18.481 5.528 1.00 0.00 H new ATOM 0 HB VAL A 40 36.906 -20.308 7.210 1.00 0.00 H new ATOM 0 HG11 VAL A 40 35.840 -22.395 6.448 1.00 0.00 H new ATOM 0 HG12 VAL A 40 34.670 -21.097 6.784 1.00 0.00 H new ATOM 0 HG13 VAL A 40 35.092 -21.501 5.103 1.00 0.00 H new ATOM 0 HG21 VAL A 40 38.038 -21.930 5.617 1.00 0.00 H new ATOM 0 HG22 VAL A 40 37.462 -20.941 4.254 1.00 0.00 H new ATOM 0 HG23 VAL A 40 38.632 -20.264 5.411 1.00 0.00 H new ATOM 636 N GLN A 41 34.095 -19.053 4.456 1.00 0.00 N ATOM 637 CA GLN A 41 33.202 -18.929 3.292 1.00 0.00 C ATOM 638 C GLN A 41 33.398 -17.606 2.539 1.00 0.00 C ATOM 639 O GLN A 41 33.447 -17.613 1.308 1.00 0.00 O ATOM 640 CB GLN A 41 31.732 -19.016 3.737 1.00 0.00 C ATOM 641 CG GLN A 41 31.233 -20.449 3.972 1.00 0.00 C ATOM 642 CD GLN A 41 30.939 -21.169 2.660 1.00 0.00 C ATOM 643 OE1 GLN A 41 29.912 -20.975 2.021 1.00 0.00 O ATOM 644 NE2 GLN A 41 31.830 -22.020 2.198 1.00 0.00 N ATOM 0 H GLN A 41 33.594 -19.248 5.323 1.00 0.00 H new ATOM 0 HA GLN A 41 33.454 -19.750 2.621 1.00 0.00 H new ATOM 0 HB2 GLN A 41 31.607 -18.444 4.656 1.00 0.00 H new ATOM 0 HB3 GLN A 41 31.106 -18.544 2.980 1.00 0.00 H new ATOM 0 HG2 GLN A 41 31.982 -21.007 4.533 1.00 0.00 H new ATOM 0 HG3 GLN A 41 30.331 -20.424 4.583 1.00 0.00 H new ATOM 0 HE21 GLN A 41 32.690 -22.191 2.719 1.00 0.00 H new ATOM 0 HE22 GLN A 41 31.661 -22.508 1.318 1.00 0.00 H new ATOM 653 N HIS A 42 33.531 -16.482 3.254 1.00 0.00 N ATOM 654 CA HIS A 42 33.781 -15.187 2.621 1.00 0.00 C ATOM 655 C HIS A 42 35.137 -15.202 1.880 1.00 0.00 C ATOM 656 O HIS A 42 35.198 -14.945 0.676 1.00 0.00 O ATOM 657 CB HIS A 42 33.710 -14.072 3.681 1.00 0.00 C ATOM 658 CG HIS A 42 34.259 -12.771 3.157 1.00 0.00 C ATOM 659 ND1 HIS A 42 33.613 -11.875 2.332 1.00 0.00 N ATOM 660 CD2 HIS A 42 35.586 -12.429 3.165 1.00 0.00 C ATOM 661 CE1 HIS A 42 34.538 -11.038 1.830 1.00 0.00 C ATOM 662 NE2 HIS A 42 35.759 -11.342 2.302 1.00 0.00 N ATOM 0 H HIS A 42 33.469 -16.446 4.271 1.00 0.00 H new ATOM 0 HA HIS A 42 33.012 -14.988 1.874 1.00 0.00 H new ATOM 0 HB2 HIS A 42 32.675 -13.931 3.993 1.00 0.00 H new ATOM 0 HB3 HIS A 42 34.271 -14.374 4.565 1.00 0.00 H new ATOM 0 HD1 HIS A 42 32.612 -11.851 2.137 1.00 0.00 H new ATOM 0 HD2 HIS A 42 36.363 -12.914 3.738 1.00 0.00 H new ATOM 0 HE1 HIS A 42 34.328 -10.232 1.142 1.00 0.00 H new ATOM 670 N THR A 43 36.221 -15.539 2.586 1.00 0.00 N ATOM 671 CA THR A 43 37.596 -15.577 2.061 1.00 0.00 C ATOM 672 C THR A 43 37.762 -16.536 0.882 1.00 0.00 C ATOM 673 O THR A 43 38.479 -16.230 -0.074 1.00 0.00 O ATOM 674 CB THR A 43 38.561 -15.935 3.197 1.00 0.00 C ATOM 675 OG1 THR A 43 38.488 -14.936 4.185 1.00 0.00 O ATOM 676 CG2 THR A 43 40.016 -16.049 2.753 1.00 0.00 C ATOM 0 H THR A 43 36.167 -15.802 3.570 1.00 0.00 H new ATOM 0 HA THR A 43 37.829 -14.585 1.673 1.00 0.00 H new ATOM 0 HB THR A 43 38.254 -16.913 3.568 1.00 0.00 H new ATOM 0 HG1 THR A 43 38.202 -15.335 5.033 1.00 0.00 H new ATOM 0 HG21 THR A 43 40.639 -16.305 3.610 1.00 0.00 H new ATOM 0 HG22 THR A 43 40.105 -16.827 1.995 1.00 0.00 H new ATOM 0 HG23 THR A 43 40.345 -15.097 2.336 1.00 0.00 H new ATOM 684 N LYS A 44 37.047 -17.668 0.903 1.00 0.00 N ATOM 685 CA LYS A 44 36.978 -18.677 -0.170 1.00 0.00 C ATOM 686 C LYS A 44 36.455 -18.123 -1.513 1.00 0.00 C ATOM 687 O LYS A 44 36.489 -18.845 -2.512 1.00 0.00 O ATOM 688 CB LYS A 44 36.113 -19.856 0.324 1.00 0.00 C ATOM 689 CG LYS A 44 36.927 -20.897 1.105 1.00 0.00 C ATOM 690 CD LYS A 44 35.989 -21.906 1.792 1.00 0.00 C ATOM 691 CE LYS A 44 36.742 -23.100 2.401 1.00 0.00 C ATOM 692 NZ LYS A 44 37.241 -24.045 1.363 1.00 0.00 N ATOM 0 H LYS A 44 36.472 -17.921 1.706 1.00 0.00 H new ATOM 0 HA LYS A 44 37.994 -19.010 -0.382 1.00 0.00 H new ATOM 0 HB2 LYS A 44 35.313 -19.474 0.959 1.00 0.00 H new ATOM 0 HB3 LYS A 44 35.639 -20.338 -0.531 1.00 0.00 H new ATOM 0 HG2 LYS A 44 37.603 -21.421 0.429 1.00 0.00 H new ATOM 0 HG3 LYS A 44 37.545 -20.399 1.852 1.00 0.00 H new ATOM 0 HD2 LYS A 44 35.428 -21.398 2.576 1.00 0.00 H new ATOM 0 HD3 LYS A 44 35.263 -22.272 1.066 1.00 0.00 H new ATOM 0 HE2 LYS A 44 37.583 -22.734 2.990 1.00 0.00 H new ATOM 0 HE3 LYS A 44 36.081 -23.632 3.086 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 37.741 -24.833 1.822 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 36.438 -24.417 0.817 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 37.893 -23.546 0.724 1.00 0.00 H new ATOM 706 N GLY A 45 35.994 -16.867 -1.562 1.00 0.00 N ATOM 707 CA GLY A 45 35.485 -16.220 -2.773 1.00 0.00 C ATOM 708 C GLY A 45 35.592 -14.689 -2.803 1.00 0.00 C ATOM 709 O GLY A 45 34.862 -14.082 -3.592 1.00 0.00 O ATOM 0 H GLY A 45 35.965 -16.261 -0.742 1.00 0.00 H new ATOM 0 HA2 GLY A 45 36.024 -16.621 -3.631 1.00 0.00 H new ATOM 0 HA3 GLY A 45 34.438 -16.495 -2.898 1.00 0.00 H new ATOM 713 N CYS A 46 36.446 -14.055 -1.982 1.00 0.00 N ATOM 714 CA CYS A 46 36.601 -12.595 -1.970 1.00 0.00 C ATOM 715 C CYS A 46 37.170 -12.044 -3.294 1.00 0.00 C ATOM 716 O CYS A 46 37.963 -12.695 -3.988 1.00 0.00 O ATOM 717 CB CYS A 46 37.450 -12.190 -0.757 1.00 0.00 C ATOM 718 SG CYS A 46 37.548 -10.368 -0.580 1.00 0.00 S ATOM 0 H CYS A 46 37.044 -14.539 -1.312 1.00 0.00 H new ATOM 0 HA CYS A 46 35.613 -12.143 -1.878 1.00 0.00 H new ATOM 0 HB2 CYS A 46 37.022 -12.622 0.148 1.00 0.00 H new ATOM 0 HB3 CYS A 46 38.454 -12.601 -0.862 1.00 0.00 H new ATOM 0 HG CYS A 46 37.596 -10.057 0.681 1.00 0.00 H new ATOM 723 N LYS A 47 36.768 -10.814 -3.623 1.00 0.00 N ATOM 724 CA LYS A 47 37.165 -10.049 -4.819 1.00 0.00 C ATOM 725 C LYS A 47 38.293 -9.048 -4.519 1.00 0.00 C ATOM 726 O LYS A 47 38.759 -8.377 -5.443 1.00 0.00 O ATOM 727 CB LYS A 47 35.926 -9.340 -5.418 1.00 0.00 C ATOM 728 CG LYS A 47 34.976 -10.235 -6.239 1.00 0.00 C ATOM 729 CD LYS A 47 34.339 -11.375 -5.436 1.00 0.00 C ATOM 730 CE LYS A 47 33.303 -12.158 -6.243 1.00 0.00 C ATOM 731 NZ LYS A 47 32.726 -13.251 -5.418 1.00 0.00 N ATOM 0 H LYS A 47 36.121 -10.292 -3.033 1.00 0.00 H new ATOM 0 HA LYS A 47 37.564 -10.749 -5.554 1.00 0.00 H new ATOM 0 HB2 LYS A 47 35.358 -8.890 -4.603 1.00 0.00 H new ATOM 0 HB3 LYS A 47 36.269 -8.525 -6.055 1.00 0.00 H new ATOM 0 HG2 LYS A 47 34.184 -9.615 -6.660 1.00 0.00 H new ATOM 0 HG3 LYS A 47 35.528 -10.660 -7.077 1.00 0.00 H new ATOM 0 HD2 LYS A 47 35.120 -12.056 -5.097 1.00 0.00 H new ATOM 0 HD3 LYS A 47 33.865 -10.965 -4.544 1.00 0.00 H new ATOM 0 HE2 LYS A 47 32.511 -11.488 -6.577 1.00 0.00 H new ATOM 0 HE3 LYS A 47 33.767 -12.574 -7.137 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 32.436 -14.036 -6.036 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 33.440 -13.589 -4.741 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 31.898 -12.894 -4.899 1.00 0.00 H new ATOM 745 N ARG A 48 38.720 -8.904 -3.253 1.00 0.00 N ATOM 746 CA ARG A 48 39.749 -7.937 -2.820 1.00 0.00 C ATOM 747 C ARG A 48 40.884 -8.533 -1.985 1.00 0.00 C ATOM 748 O ARG A 48 42.037 -8.328 -2.363 1.00 0.00 O ATOM 749 CB ARG A 48 39.060 -6.790 -2.056 1.00 0.00 C ATOM 750 CG ARG A 48 37.982 -6.061 -2.870 1.00 0.00 C ATOM 751 CD ARG A 48 38.573 -5.267 -4.044 1.00 0.00 C ATOM 752 NE ARG A 48 37.520 -4.625 -4.855 1.00 0.00 N ATOM 753 CZ ARG A 48 37.082 -4.998 -6.047 1.00 0.00 C ATOM 754 NH1 ARG A 48 37.494 -6.079 -6.647 1.00 0.00 N ATOM 755 NH2 ARG A 48 36.199 -4.273 -6.671 1.00 0.00 N ATOM 0 H ARG A 48 38.354 -9.467 -2.485 1.00 0.00 H new ATOM 0 HA ARG A 48 40.235 -7.574 -3.726 1.00 0.00 H new ATOM 0 HB2 ARG A 48 38.608 -7.191 -1.149 1.00 0.00 H new ATOM 0 HB3 ARG A 48 39.815 -6.069 -1.744 1.00 0.00 H new ATOM 0 HG2 ARG A 48 37.264 -6.788 -3.251 1.00 0.00 H new ATOM 0 HG3 ARG A 48 37.433 -5.383 -2.216 1.00 0.00 H new ATOM 0 HD2 ARG A 48 39.253 -4.506 -3.662 1.00 0.00 H new ATOM 0 HD3 ARG A 48 39.162 -5.934 -4.674 1.00 0.00 H new ATOM 0 HE ARG A 48 37.079 -3.799 -4.450 1.00 0.00 H new ATOM 0 HH11 ARG A 48 38.184 -6.680 -6.197 1.00 0.00 H new ATOM 0 HH12 ARG A 48 37.126 -6.324 -7.566 1.00 0.00 H new ATOM 0 HH21 ARG A 48 35.845 -3.418 -6.241 1.00 0.00 H new ATOM 0 HH22 ARG A 48 35.861 -4.560 -7.590 1.00 0.00 H new ATOM 769 N LYS A 49 40.603 -9.263 -0.899 1.00 0.00 N ATOM 770 CA LYS A 49 41.597 -9.844 0.034 1.00 0.00 C ATOM 771 C LYS A 49 42.756 -8.900 0.427 1.00 0.00 C ATOM 772 O LYS A 49 42.607 -7.678 0.349 1.00 0.00 O ATOM 773 CB LYS A 49 41.952 -11.285 -0.373 1.00 0.00 C ATOM 774 CG LYS A 49 42.650 -11.516 -1.725 1.00 0.00 C ATOM 775 CD LYS A 49 42.577 -13.002 -2.131 1.00 0.00 C ATOM 776 CE LYS A 49 41.172 -13.454 -2.566 1.00 0.00 C ATOM 777 NZ LYS A 49 40.778 -12.889 -3.883 1.00 0.00 N ATOM 0 H LYS A 49 39.643 -9.478 -0.629 1.00 0.00 H new ATOM 0 HA LYS A 49 41.124 -9.945 1.011 1.00 0.00 H new ATOM 0 HB2 LYS A 49 42.591 -11.701 0.405 1.00 0.00 H new ATOM 0 HB3 LYS A 49 41.030 -11.866 -0.373 1.00 0.00 H new ATOM 0 HG2 LYS A 49 42.180 -10.901 -2.492 1.00 0.00 H new ATOM 0 HG3 LYS A 49 43.692 -11.203 -1.660 1.00 0.00 H new ATOM 0 HD2 LYS A 49 43.276 -13.182 -2.948 1.00 0.00 H new ATOM 0 HD3 LYS A 49 42.903 -13.616 -1.291 1.00 0.00 H new ATOM 0 HE2 LYS A 49 41.143 -14.542 -2.617 1.00 0.00 H new ATOM 0 HE3 LYS A 49 40.446 -13.151 -1.812 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 39.749 -12.739 -3.903 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 41.263 -11.981 -4.030 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 41.046 -13.551 -4.639 1.00 0.00 H new ATOM 791 N THR A 50 43.904 -9.417 0.881 1.00 0.00 N ATOM 792 CA THR A 50 45.069 -8.603 1.318 1.00 0.00 C ATOM 793 C THR A 50 45.591 -7.626 0.258 1.00 0.00 C ATOM 794 O THR A 50 46.053 -6.534 0.593 1.00 0.00 O ATOM 795 CB THR A 50 46.271 -9.486 1.696 1.00 0.00 C ATOM 796 OG1 THR A 50 46.582 -10.331 0.610 1.00 0.00 O ATOM 797 CG2 THR A 50 46.033 -10.343 2.937 1.00 0.00 C ATOM 0 H THR A 50 44.062 -10.422 0.960 1.00 0.00 H new ATOM 0 HA THR A 50 44.680 -8.045 2.170 1.00 0.00 H new ATOM 0 HB THR A 50 47.095 -8.812 1.929 1.00 0.00 H new ATOM 0 HG1 THR A 50 47.348 -10.895 0.844 1.00 0.00 H new ATOM 0 HG21 THR A 50 46.922 -10.939 3.144 1.00 0.00 H new ATOM 0 HG22 THR A 50 45.822 -9.698 3.790 1.00 0.00 H new ATOM 0 HG23 THR A 50 45.184 -11.005 2.765 1.00 0.00 H new ATOM 805 N ASN A 51 45.537 -8.020 -1.018 1.00 0.00 N ATOM 806 CA ASN A 51 46.055 -7.243 -2.149 1.00 0.00 C ATOM 807 C ASN A 51 45.153 -6.053 -2.535 1.00 0.00 C ATOM 808 O ASN A 51 45.652 -5.041 -3.031 1.00 0.00 O ATOM 809 CB ASN A 51 46.297 -8.207 -3.325 1.00 0.00 C ATOM 810 CG ASN A 51 47.613 -8.970 -3.201 1.00 0.00 C ATOM 811 OD1 ASN A 51 48.488 -8.867 -4.051 1.00 0.00 O ATOM 812 ND2 ASN A 51 47.821 -9.740 -2.155 1.00 0.00 N ATOM 0 H ASN A 51 45.122 -8.908 -1.300 1.00 0.00 H new ATOM 0 HA ASN A 51 46.997 -6.779 -1.856 1.00 0.00 H new ATOM 0 HB2 ASN A 51 45.473 -8.919 -3.381 1.00 0.00 H new ATOM 0 HB3 ASN A 51 46.295 -7.643 -4.258 1.00 0.00 H new ATOM 0 HD21 ASN A 51 48.703 -10.243 -2.059 1.00 0.00 H new ATOM 0 HD22 ASN A 51 47.100 -9.834 -1.440 1.00 0.00 H new ATOM 819 N GLY A 52 43.842 -6.153 -2.290 1.00 0.00 N ATOM 820 CA GLY A 52 42.855 -5.101 -2.557 1.00 0.00 C ATOM 821 C GLY A 52 42.553 -4.247 -1.318 1.00 0.00 C ATOM 822 O GLY A 52 42.337 -3.040 -1.452 1.00 0.00 O ATOM 0 H GLY A 52 43.426 -6.993 -1.888 1.00 0.00 H new ATOM 0 HA2 GLY A 52 43.222 -4.458 -3.356 1.00 0.00 H new ATOM 0 HA3 GLY A 52 41.931 -5.557 -2.914 1.00 0.00 H new ATOM 826 N GLY A 53 42.573 -4.847 -0.119 1.00 0.00 N ATOM 827 CA GLY A 53 42.382 -4.149 1.164 1.00 0.00 C ATOM 828 C GLY A 53 41.299 -4.720 2.091 1.00 0.00 C ATOM 829 O GLY A 53 40.950 -4.063 3.075 1.00 0.00 O ATOM 0 H GLY A 53 42.725 -5.850 -0.010 1.00 0.00 H new ATOM 0 HA2 GLY A 53 43.330 -4.154 1.701 1.00 0.00 H new ATOM 0 HA3 GLY A 53 42.139 -3.107 0.955 1.00 0.00 H new ATOM 833 N CYS A 54 40.754 -5.908 1.800 1.00 0.00 N ATOM 834 CA CYS A 54 39.714 -6.548 2.608 1.00 0.00 C ATOM 835 C CYS A 54 40.233 -6.899 4.025 1.00 0.00 C ATOM 836 O CYS A 54 41.265 -7.580 4.145 1.00 0.00 O ATOM 837 CB CYS A 54 39.251 -7.813 1.884 1.00 0.00 C ATOM 838 SG CYS A 54 37.733 -8.469 2.629 1.00 0.00 S ATOM 0 H CYS A 54 41.028 -6.457 0.985 1.00 0.00 H new ATOM 0 HA CYS A 54 38.881 -5.856 2.732 1.00 0.00 H new ATOM 0 HB2 CYS A 54 39.077 -7.591 0.831 1.00 0.00 H new ATOM 0 HB3 CYS A 54 40.036 -8.568 1.925 1.00 0.00 H new ATOM 0 HG CYS A 54 36.811 -8.570 1.718 1.00 0.00 H new ATOM 843 N PRO A 55 39.568 -6.449 5.109 1.00 0.00 N ATOM 844 CA PRO A 55 40.016 -6.726 6.466 1.00 0.00 C ATOM 845 C PRO A 55 39.732 -8.161 6.931 1.00 0.00 C ATOM 846 O PRO A 55 40.459 -8.641 7.798 1.00 0.00 O ATOM 847 CB PRO A 55 39.275 -5.712 7.342 1.00 0.00 C ATOM 848 CG PRO A 55 37.955 -5.507 6.598 1.00 0.00 C ATOM 849 CD PRO A 55 38.369 -5.621 5.130 1.00 0.00 C ATOM 0 HA PRO A 55 41.100 -6.635 6.530 1.00 0.00 H new ATOM 0 HB2 PRO A 55 39.114 -6.093 8.351 1.00 0.00 H new ATOM 0 HB3 PRO A 55 39.832 -4.780 7.438 1.00 0.00 H new ATOM 0 HG2 PRO A 55 37.217 -6.262 6.869 1.00 0.00 H new ATOM 0 HG3 PRO A 55 37.513 -4.535 6.819 1.00 0.00 H new ATOM 0 HD2 PRO A 55 37.574 -6.071 4.535 1.00 0.00 H new ATOM 0 HD3 PRO A 55 38.568 -4.638 4.704 1.00 0.00 H new ATOM 857 N VAL A 56 38.719 -8.859 6.390 1.00 0.00 N ATOM 858 CA VAL A 56 38.387 -10.228 6.828 1.00 0.00 C ATOM 859 C VAL A 56 39.484 -11.208 6.433 1.00 0.00 C ATOM 860 O VAL A 56 40.088 -11.813 7.317 1.00 0.00 O ATOM 861 CB VAL A 56 37.025 -10.732 6.310 1.00 0.00 C ATOM 862 CG1 VAL A 56 36.693 -12.092 6.946 1.00 0.00 C ATOM 863 CG2 VAL A 56 35.881 -9.781 6.674 1.00 0.00 C ATOM 0 H VAL A 56 38.116 -8.500 5.650 1.00 0.00 H new ATOM 0 HA VAL A 56 38.312 -10.177 7.914 1.00 0.00 H new ATOM 0 HB VAL A 56 37.112 -10.802 5.226 1.00 0.00 H new ATOM 0 HG11 VAL A 56 35.729 -12.442 6.575 1.00 0.00 H new ATOM 0 HG12 VAL A 56 37.466 -12.814 6.684 1.00 0.00 H new ATOM 0 HG13 VAL A 56 36.648 -11.985 8.030 1.00 0.00 H new ATOM 0 HG21 VAL A 56 34.942 -10.177 6.288 1.00 0.00 H new ATOM 0 HG22 VAL A 56 35.817 -9.687 7.758 1.00 0.00 H new ATOM 0 HG23 VAL A 56 36.069 -8.801 6.235 1.00 0.00 H new ATOM 873 N CYS A 57 39.764 -11.346 5.138 1.00 0.00 N ATOM 874 CA CYS A 57 40.766 -12.238 4.569 1.00 0.00 C ATOM 875 C CYS A 57 42.113 -12.171 5.302 1.00 0.00 C ATOM 876 O CYS A 57 42.635 -13.177 5.791 1.00 0.00 O ATOM 877 CB CYS A 57 40.908 -11.837 3.096 1.00 0.00 C ATOM 878 SG CYS A 57 39.294 -11.849 2.246 1.00 0.00 S ATOM 0 H CYS A 57 39.272 -10.810 4.423 1.00 0.00 H new ATOM 0 HA CYS A 57 40.447 -13.275 4.674 1.00 0.00 H new ATOM 0 HB2 CYS A 57 41.349 -10.843 3.029 1.00 0.00 H new ATOM 0 HB3 CYS A 57 41.590 -12.523 2.594 1.00 0.00 H new ATOM 0 HG CYS A 57 38.731 -10.684 2.368 1.00 0.00 H new ATOM 883 N LYS A 58 42.653 -10.954 5.418 1.00 0.00 N ATOM 884 CA LYS A 58 43.888 -10.633 6.109 1.00 0.00 C ATOM 885 C LYS A 58 43.882 -11.101 7.580 1.00 0.00 C ATOM 886 O LYS A 58 44.916 -11.527 8.094 1.00 0.00 O ATOM 887 CB LYS A 58 44.035 -9.110 5.948 1.00 0.00 C ATOM 888 CG LYS A 58 45.413 -8.640 6.382 1.00 0.00 C ATOM 889 CD LYS A 58 45.754 -7.245 5.833 1.00 0.00 C ATOM 890 CE LYS A 58 47.086 -6.749 6.407 1.00 0.00 C ATOM 891 NZ LYS A 58 47.402 -5.370 5.948 1.00 0.00 N ATOM 0 H LYS A 58 42.212 -10.130 5.009 1.00 0.00 H new ATOM 0 HA LYS A 58 44.745 -11.159 5.689 1.00 0.00 H new ATOM 0 HB2 LYS A 58 43.865 -8.834 4.907 1.00 0.00 H new ATOM 0 HB3 LYS A 58 43.273 -8.604 6.540 1.00 0.00 H new ATOM 0 HG2 LYS A 58 45.462 -8.621 7.471 1.00 0.00 H new ATOM 0 HG3 LYS A 58 46.162 -9.355 6.042 1.00 0.00 H new ATOM 0 HD2 LYS A 58 45.812 -7.281 4.745 1.00 0.00 H new ATOM 0 HD3 LYS A 58 44.959 -6.544 6.087 1.00 0.00 H new ATOM 0 HE2 LYS A 58 47.043 -6.770 7.496 1.00 0.00 H new ATOM 0 HE3 LYS A 58 47.886 -7.425 6.107 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 48.310 -5.068 6.356 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 47.467 -5.356 4.910 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 46.650 -4.721 6.257 1.00 0.00 H new ATOM 905 N GLN A 59 42.720 -11.078 8.246 1.00 0.00 N ATOM 906 CA GLN A 59 42.543 -11.535 9.632 1.00 0.00 C ATOM 907 C GLN A 59 42.746 -13.053 9.779 1.00 0.00 C ATOM 908 O GLN A 59 43.447 -13.473 10.703 1.00 0.00 O ATOM 909 CB GLN A 59 41.153 -11.123 10.171 1.00 0.00 C ATOM 910 CG GLN A 59 41.163 -10.769 11.671 1.00 0.00 C ATOM 911 CD GLN A 59 41.766 -9.392 11.978 1.00 0.00 C ATOM 912 OE1 GLN A 59 42.465 -8.778 11.186 1.00 0.00 O ATOM 913 NE2 GLN A 59 41.514 -8.836 13.143 1.00 0.00 N ATOM 0 H GLN A 59 41.856 -10.733 7.827 1.00 0.00 H new ATOM 0 HA GLN A 59 43.314 -11.046 10.227 1.00 0.00 H new ATOM 0 HB2 GLN A 59 40.791 -10.265 9.604 1.00 0.00 H new ATOM 0 HB3 GLN A 59 40.449 -11.938 10.001 1.00 0.00 H new ATOM 0 HG2 GLN A 59 40.141 -10.800 12.049 1.00 0.00 H new ATOM 0 HG3 GLN A 59 41.726 -11.530 12.211 1.00 0.00 H new ATOM 0 HE21 GLN A 59 40.934 -9.323 13.826 1.00 0.00 H new ATOM 0 HE22 GLN A 59 41.899 -7.918 13.364 1.00 0.00 H new ATOM 922 N LEU A 60 42.187 -13.879 8.875 1.00 0.00 N ATOM 923 CA LEU A 60 42.381 -15.341 8.918 1.00 0.00 C ATOM 924 C LEU A 60 43.854 -15.681 8.735 1.00 0.00 C ATOM 925 O LEU A 60 44.395 -16.513 9.452 1.00 0.00 O ATOM 926 CB LEU A 60 41.672 -16.110 7.782 1.00 0.00 C ATOM 927 CG LEU A 60 40.144 -16.164 7.755 1.00 0.00 C ATOM 928 CD1 LEU A 60 39.571 -14.813 7.354 1.00 0.00 C ATOM 929 CD2 LEU A 60 39.726 -17.213 6.721 1.00 0.00 C ATOM 0 H LEU A 60 41.598 -13.559 8.106 1.00 0.00 H new ATOM 0 HA LEU A 60 41.970 -15.635 9.884 1.00 0.00 H new ATOM 0 HB2 LEU A 60 42.001 -15.676 6.838 1.00 0.00 H new ATOM 0 HB3 LEU A 60 42.036 -17.137 7.805 1.00 0.00 H new ATOM 0 HG LEU A 60 39.768 -16.420 8.746 1.00 0.00 H new ATOM 0 HD11 LEU A 60 38.483 -14.869 7.340 1.00 0.00 H new ATOM 0 HD12 LEU A 60 39.886 -14.056 8.073 1.00 0.00 H new ATOM 0 HD13 LEU A 60 39.933 -14.544 6.362 1.00 0.00 H new ATOM 0 HD21 LEU A 60 38.638 -17.272 6.682 1.00 0.00 H new ATOM 0 HD22 LEU A 60 40.110 -16.931 5.741 1.00 0.00 H new ATOM 0 HD23 LEU A 60 40.132 -18.184 7.004 1.00 0.00 H new ATOM 941 N ILE A 61 44.487 -15.070 7.734 1.00 0.00 N ATOM 942 CA ILE A 61 45.870 -15.362 7.355 1.00 0.00 C ATOM 943 C ILE A 61 46.846 -15.061 8.492 1.00 0.00 C ATOM 944 O ILE A 61 47.754 -15.860 8.689 1.00 0.00 O ATOM 945 CB ILE A 61 46.211 -14.664 6.032 1.00 0.00 C ATOM 946 CG1 ILE A 61 45.253 -15.205 4.947 1.00 0.00 C ATOM 947 CG2 ILE A 61 47.646 -14.917 5.541 1.00 0.00 C ATOM 948 CD1 ILE A 61 45.486 -14.557 3.592 1.00 0.00 C ATOM 0 H ILE A 61 44.050 -14.351 7.157 1.00 0.00 H new ATOM 0 HA ILE A 61 45.976 -16.432 7.178 1.00 0.00 H new ATOM 0 HB ILE A 61 46.110 -13.593 6.208 1.00 0.00 H new ATOM 0 HG12 ILE A 61 45.382 -16.284 4.858 1.00 0.00 H new ATOM 0 HG13 ILE A 61 44.223 -15.032 5.257 1.00 0.00 H new ATOM 0 HG21 ILE A 61 47.807 -14.389 4.601 1.00 0.00 H new ATOM 0 HG22 ILE A 61 48.355 -14.556 6.286 1.00 0.00 H new ATOM 0 HG23 ILE A 61 47.795 -15.986 5.387 1.00 0.00 H new ATOM 0 HD11 ILE A 61 44.788 -14.972 2.865 1.00 0.00 H new ATOM 0 HD12 ILE A 61 45.330 -13.481 3.672 1.00 0.00 H new ATOM 0 HD13 ILE A 61 46.508 -14.753 3.266 1.00 0.00 H new ATOM 960 N ALA A 62 46.656 -14.002 9.291 1.00 0.00 N ATOM 961 CA ALA A 62 47.502 -13.763 10.471 1.00 0.00 C ATOM 962 C ALA A 62 47.385 -14.959 11.433 1.00 0.00 C ATOM 963 O ALA A 62 48.380 -15.562 11.843 1.00 0.00 O ATOM 964 CB ALA A 62 47.079 -12.447 11.152 1.00 0.00 C ATOM 0 H ALA A 62 45.930 -13.301 9.144 1.00 0.00 H new ATOM 0 HA ALA A 62 48.546 -13.667 10.172 1.00 0.00 H new ATOM 0 HB1 ALA A 62 47.707 -12.271 12.026 1.00 0.00 H new ATOM 0 HB2 ALA A 62 47.194 -11.621 10.450 1.00 0.00 H new ATOM 0 HB3 ALA A 62 46.036 -12.517 11.462 1.00 0.00 H new ATOM 970 N LEU A 63 46.140 -15.337 11.728 1.00 0.00 N ATOM 971 CA LEU A 63 45.767 -16.464 12.586 1.00 0.00 C ATOM 972 C LEU A 63 46.387 -17.786 12.082 1.00 0.00 C ATOM 973 O LEU A 63 46.944 -18.566 12.857 1.00 0.00 O ATOM 974 CB LEU A 63 44.221 -16.472 12.641 1.00 0.00 C ATOM 975 CG LEU A 63 43.626 -16.782 14.020 1.00 0.00 C ATOM 976 CD1 LEU A 63 42.177 -16.294 14.080 1.00 0.00 C ATOM 977 CD2 LEU A 63 43.640 -18.275 14.297 1.00 0.00 C ATOM 0 H LEU A 63 45.327 -14.844 11.359 1.00 0.00 H new ATOM 0 HA LEU A 63 46.163 -16.358 13.596 1.00 0.00 H new ATOM 0 HB2 LEU A 63 43.855 -15.499 12.314 1.00 0.00 H new ATOM 0 HB3 LEU A 63 43.850 -17.208 11.928 1.00 0.00 H new ATOM 0 HG LEU A 63 44.233 -16.272 14.768 1.00 0.00 H new ATOM 0 HD11 LEU A 63 41.759 -16.516 15.062 1.00 0.00 H new ATOM 0 HD12 LEU A 63 42.148 -15.218 13.909 1.00 0.00 H new ATOM 0 HD13 LEU A 63 41.591 -16.800 13.313 1.00 0.00 H new ATOM 0 HD21 LEU A 63 43.213 -18.466 15.281 1.00 0.00 H new ATOM 0 HD22 LEU A 63 43.051 -18.791 13.539 1.00 0.00 H new ATOM 0 HD23 LEU A 63 44.667 -18.640 14.270 1.00 0.00 H new ATOM 989 N CYS A 64 46.346 -18.011 10.766 1.00 0.00 N ATOM 990 CA CYS A 64 46.928 -19.173 10.097 1.00 0.00 C ATOM 991 C CYS A 64 48.467 -19.130 10.080 1.00 0.00 C ATOM 992 O CYS A 64 49.081 -20.173 10.269 1.00 0.00 O ATOM 993 CB CYS A 64 46.364 -19.294 8.676 1.00 0.00 C ATOM 994 SG CYS A 64 44.570 -19.574 8.725 1.00 0.00 S ATOM 0 H CYS A 64 45.892 -17.368 10.118 1.00 0.00 H new ATOM 0 HA CYS A 64 46.650 -20.059 10.668 1.00 0.00 H new ATOM 0 HB2 CYS A 64 46.581 -18.386 8.114 1.00 0.00 H new ATOM 0 HB3 CYS A 64 46.852 -20.117 8.153 1.00 0.00 H new ATOM 0 HG CYS A 64 43.964 -18.458 9.005 1.00 0.00 H new ATOM 1000 N CYS A 65 49.108 -17.964 9.908 1.00 0.00 N ATOM 1001 CA CYS A 65 50.573 -17.814 9.959 1.00 0.00 C ATOM 1002 C CYS A 65 51.099 -18.235 11.337 1.00 0.00 C ATOM 1003 O CYS A 65 52.071 -18.984 11.436 1.00 0.00 O ATOM 1004 CB CYS A 65 50.981 -16.355 9.691 1.00 0.00 C ATOM 1005 SG CYS A 65 50.763 -15.871 7.960 1.00 0.00 S ATOM 0 H CYS A 65 48.619 -17.087 9.727 1.00 0.00 H new ATOM 0 HA CYS A 65 51.004 -18.453 9.189 1.00 0.00 H new ATOM 0 HB2 CYS A 65 50.389 -15.695 10.325 1.00 0.00 H new ATOM 0 HB3 CYS A 65 52.025 -16.217 9.973 1.00 0.00 H new ATOM 0 HG CYS A 65 49.496 -15.738 7.703 1.00 0.00 H new ATOM 1011 N TYR A 66 50.427 -17.779 12.399 1.00 0.00 N ATOM 1012 CA TYR A 66 50.743 -18.098 13.793 1.00 0.00 C ATOM 1013 C TYR A 66 50.719 -19.615 14.048 1.00 0.00 C ATOM 1014 O TYR A 66 51.623 -20.162 14.682 1.00 0.00 O ATOM 1015 CB TYR A 66 49.721 -17.373 14.675 1.00 0.00 C ATOM 1016 CG TYR A 66 50.150 -17.117 16.101 1.00 0.00 C ATOM 1017 CD1 TYR A 66 49.893 -18.063 17.111 1.00 0.00 C ATOM 1018 CD2 TYR A 66 50.710 -15.871 16.430 1.00 0.00 C ATOM 1019 CE1 TYR A 66 50.127 -17.734 18.458 1.00 0.00 C ATOM 1020 CE2 TYR A 66 50.890 -15.513 17.778 1.00 0.00 C ATOM 1021 CZ TYR A 66 50.604 -16.449 18.796 1.00 0.00 C ATOM 1022 OH TYR A 66 50.803 -16.118 20.099 1.00 0.00 O ATOM 0 H TYR A 66 49.623 -17.158 12.308 1.00 0.00 H new ATOM 0 HA TYR A 66 51.754 -17.766 14.030 1.00 0.00 H new ATOM 0 HB2 TYR A 66 49.481 -16.417 14.210 1.00 0.00 H new ATOM 0 HB3 TYR A 66 48.802 -17.959 14.691 1.00 0.00 H new ATOM 0 HD1 TYR A 66 49.516 -19.041 16.852 1.00 0.00 H new ATOM 0 HD2 TYR A 66 51.003 -15.187 15.647 1.00 0.00 H new ATOM 0 HE1 TYR A 66 49.942 -18.463 19.233 1.00 0.00 H new ATOM 0 HE2 TYR A 66 51.246 -14.526 18.034 1.00 0.00 H new ATOM 0 HH TYR A 66 51.134 -15.197 20.156 1.00 0.00 H new ATOM 1032 N HIS A 67 49.708 -20.306 13.509 1.00 0.00 N ATOM 1033 CA HIS A 67 49.582 -21.760 13.588 1.00 0.00 C ATOM 1034 C HIS A 67 50.646 -22.460 12.714 1.00 0.00 C ATOM 1035 O HIS A 67 51.433 -23.258 13.223 1.00 0.00 O ATOM 1036 CB HIS A 67 48.151 -22.152 13.176 1.00 0.00 C ATOM 1037 CG HIS A 67 47.980 -23.641 13.024 1.00 0.00 C ATOM 1038 ND1 HIS A 67 47.757 -24.558 14.028 1.00 0.00 N ATOM 1039 CD2 HIS A 67 48.214 -24.349 11.875 1.00 0.00 C ATOM 1040 CE1 HIS A 67 47.885 -25.789 13.500 1.00 0.00 C ATOM 1041 NE2 HIS A 67 48.169 -25.710 12.189 1.00 0.00 N ATOM 0 H HIS A 67 48.945 -19.861 12.999 1.00 0.00 H new ATOM 0 HA HIS A 67 49.760 -22.091 14.611 1.00 0.00 H new ATOM 0 HB2 HIS A 67 47.448 -21.784 13.923 1.00 0.00 H new ATOM 0 HB3 HIS A 67 47.901 -21.663 12.234 1.00 0.00 H new ATOM 0 HD2 HIS A 67 48.401 -23.929 10.898 1.00 0.00 H new ATOM 0 HE1 HIS A 67 47.775 -26.711 14.052 1.00 0.00 H new ATOM 0 HE2 HIS A 67 48.322 -26.490 11.549 1.00 0.00 H new ATOM 1049 N ALA A 68 50.704 -22.140 11.416 1.00 0.00 N ATOM 1050 CA ALA A 68 51.620 -22.716 10.427 1.00 0.00 C ATOM 1051 C ALA A 68 53.106 -22.621 10.817 1.00 0.00 C ATOM 1052 O ALA A 68 53.875 -23.539 10.525 1.00 0.00 O ATOM 1053 CB ALA A 68 51.347 -22.052 9.076 1.00 0.00 C ATOM 0 H ALA A 68 50.084 -21.440 11.009 1.00 0.00 H new ATOM 0 HA ALA A 68 51.425 -23.787 10.373 1.00 0.00 H new ATOM 0 HB1 ALA A 68 52.019 -22.467 8.324 1.00 0.00 H new ATOM 0 HB2 ALA A 68 50.314 -22.238 8.781 1.00 0.00 H new ATOM 0 HB3 ALA A 68 51.513 -20.978 9.158 1.00 0.00 H new ATOM 1059 N LYS A 69 53.508 -21.543 11.510 1.00 0.00 N ATOM 1060 CA LYS A 69 54.870 -21.359 12.044 1.00 0.00 C ATOM 1061 C LYS A 69 55.276 -22.504 12.978 1.00 0.00 C ATOM 1062 O LYS A 69 56.417 -22.964 12.922 1.00 0.00 O ATOM 1063 CB LYS A 69 54.954 -20.021 12.807 1.00 0.00 C ATOM 1064 CG LYS A 69 55.480 -18.868 11.947 1.00 0.00 C ATOM 1065 CD LYS A 69 55.567 -17.557 12.754 1.00 0.00 C ATOM 1066 CE LYS A 69 56.562 -16.569 12.125 1.00 0.00 C ATOM 1067 NZ LYS A 69 57.981 -16.962 12.346 1.00 0.00 N ATOM 0 H LYS A 69 52.887 -20.762 11.719 1.00 0.00 H new ATOM 0 HA LYS A 69 55.558 -21.354 11.199 1.00 0.00 H new ATOM 0 HB2 LYS A 69 53.964 -19.762 13.184 1.00 0.00 H new ATOM 0 HB3 LYS A 69 55.603 -20.145 13.674 1.00 0.00 H new ATOM 0 HG2 LYS A 69 56.466 -19.123 11.558 1.00 0.00 H new ATOM 0 HG3 LYS A 69 54.825 -18.725 11.088 1.00 0.00 H new ATOM 0 HD2 LYS A 69 54.581 -17.096 12.807 1.00 0.00 H new ATOM 0 HD3 LYS A 69 55.871 -17.779 13.777 1.00 0.00 H new ATOM 0 HE2 LYS A 69 56.371 -16.500 11.054 1.00 0.00 H new ATOM 0 HE3 LYS A 69 56.395 -15.576 12.543 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 58.608 -16.205 12.007 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 58.144 -17.118 13.361 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 58.184 -17.839 11.825 1.00 0.00 H new ATOM 1081 N HIS A 70 54.347 -22.966 13.813 1.00 0.00 N ATOM 1082 CA HIS A 70 54.547 -24.055 14.771 1.00 0.00 C ATOM 1083 C HIS A 70 54.216 -25.446 14.195 1.00 0.00 C ATOM 1084 O HIS A 70 54.852 -26.429 14.583 1.00 0.00 O ATOM 1085 CB HIS A 70 53.692 -23.769 16.016 1.00 0.00 C ATOM 1086 CG HIS A 70 54.069 -22.486 16.720 1.00 0.00 C ATOM 1087 ND1 HIS A 70 53.506 -21.242 16.528 1.00 0.00 N ATOM 1088 CD2 HIS A 70 55.055 -22.336 17.660 1.00 0.00 C ATOM 1089 CE1 HIS A 70 54.133 -20.367 17.331 1.00 0.00 C ATOM 1090 NE2 HIS A 70 55.089 -20.988 18.045 1.00 0.00 N ATOM 0 H HIS A 70 53.403 -22.581 13.843 1.00 0.00 H new ATOM 0 HA HIS A 70 55.606 -24.087 15.026 1.00 0.00 H new ATOM 0 HB2 HIS A 70 52.643 -23.720 15.724 1.00 0.00 H new ATOM 0 HB3 HIS A 70 53.790 -24.600 16.714 1.00 0.00 H new ATOM 0 HD1 HIS A 70 52.744 -21.024 15.886 1.00 0.00 H new ATOM 0 HD2 HIS A 70 55.695 -23.120 18.038 1.00 0.00 H new ATOM 0 HE1 HIS A 70 53.902 -19.314 17.395 1.00 0.00 H new ATOM 1098 N CYS A 71 53.238 -25.543 13.287 1.00 0.00 N ATOM 1099 CA CYS A 71 52.777 -26.792 12.665 1.00 0.00 C ATOM 1100 C CYS A 71 53.872 -27.505 11.840 1.00 0.00 C ATOM 1101 O CYS A 71 54.815 -26.880 11.338 1.00 0.00 O ATOM 1102 CB CYS A 71 51.536 -26.465 11.818 1.00 0.00 C ATOM 1103 SG CYS A 71 50.602 -27.955 11.327 1.00 0.00 S ATOM 0 H CYS A 71 52.727 -24.726 12.953 1.00 0.00 H new ATOM 0 HA CYS A 71 52.522 -27.505 13.449 1.00 0.00 H new ATOM 0 HB2 CYS A 71 50.881 -25.801 12.382 1.00 0.00 H new ATOM 0 HB3 CYS A 71 51.845 -25.924 10.923 1.00 0.00 H new ATOM 0 HG CYS A 71 49.577 -28.103 12.113 1.00 0.00 H new ATOM 1108 N GLN A 72 53.730 -28.823 11.664 1.00 0.00 N ATOM 1109 CA GLN A 72 54.653 -29.665 10.886 1.00 0.00 C ATOM 1110 C GLN A 72 53.942 -30.652 9.933 1.00 0.00 C ATOM 1111 O GLN A 72 54.604 -31.340 9.154 1.00 0.00 O ATOM 1112 CB GLN A 72 55.626 -30.452 11.797 1.00 0.00 C ATOM 1113 CG GLN A 72 56.029 -29.822 13.147 1.00 0.00 C ATOM 1114 CD GLN A 72 55.050 -30.166 14.275 1.00 0.00 C ATOM 1115 OE1 GLN A 72 54.741 -31.322 14.542 1.00 0.00 O ATOM 1116 NE2 GLN A 72 54.526 -29.201 14.998 1.00 0.00 N ATOM 0 H GLN A 72 52.954 -29.348 12.066 1.00 0.00 H new ATOM 0 HA GLN A 72 55.215 -28.960 10.273 1.00 0.00 H new ATOM 0 HB2 GLN A 72 55.177 -31.424 12.003 1.00 0.00 H new ATOM 0 HB3 GLN A 72 56.538 -30.636 11.230 1.00 0.00 H new ATOM 0 HG2 GLN A 72 57.027 -30.165 13.420 1.00 0.00 H new ATOM 0 HG3 GLN A 72 56.084 -28.739 13.036 1.00 0.00 H new ATOM 0 HE21 GLN A 72 54.764 -28.229 14.800 1.00 0.00 H new ATOM 0 HE22 GLN A 72 53.882 -29.424 15.757 1.00 0.00 H new ATOM 1125 N GLU A 73 52.609 -30.746 9.982 1.00 0.00 N ATOM 1126 CA GLU A 73 51.816 -31.658 9.147 1.00 0.00 C ATOM 1127 C GLU A 73 51.662 -31.135 7.704 1.00 0.00 C ATOM 1128 O GLU A 73 51.727 -29.930 7.447 1.00 0.00 O ATOM 1129 CB GLU A 73 50.456 -31.874 9.841 1.00 0.00 C ATOM 1130 CG GLU A 73 49.534 -32.955 9.262 1.00 0.00 C ATOM 1131 CD GLU A 73 50.243 -34.305 9.056 1.00 0.00 C ATOM 1132 OE1 GLU A 73 50.301 -35.127 10.002 1.00 0.00 O ATOM 1133 OE2 GLU A 73 50.754 -34.527 7.933 1.00 0.00 O ATOM 0 H GLU A 73 52.040 -30.182 10.613 1.00 0.00 H new ATOM 0 HA GLU A 73 52.331 -32.614 9.050 1.00 0.00 H new ATOM 0 HB2 GLU A 73 50.646 -32.117 10.886 1.00 0.00 H new ATOM 0 HB3 GLU A 73 49.916 -30.927 9.827 1.00 0.00 H new ATOM 0 HG2 GLU A 73 48.684 -33.096 9.930 1.00 0.00 H new ATOM 0 HG3 GLU A 73 49.135 -32.611 8.308 1.00 0.00 H new ATOM 1140 N ASN A 74 51.430 -32.053 6.763 1.00 0.00 N ATOM 1141 CA ASN A 74 51.254 -31.788 5.325 1.00 0.00 C ATOM 1142 C ASN A 74 49.805 -32.011 4.837 1.00 0.00 C ATOM 1143 O ASN A 74 49.476 -31.721 3.685 1.00 0.00 O ATOM 1144 CB ASN A 74 52.262 -32.648 4.543 1.00 0.00 C ATOM 1145 CG ASN A 74 53.704 -32.259 4.833 1.00 0.00 C ATOM 1146 OD1 ASN A 74 54.164 -31.180 4.486 1.00 0.00 O ATOM 1147 ND2 ASN A 74 54.469 -33.119 5.469 1.00 0.00 N ATOM 0 H ASN A 74 51.356 -33.045 6.987 1.00 0.00 H new ATOM 0 HA ASN A 74 51.449 -30.731 5.143 1.00 0.00 H new ATOM 0 HB2 ASN A 74 52.114 -33.698 4.797 1.00 0.00 H new ATOM 0 HB3 ASN A 74 52.069 -32.548 3.475 1.00 0.00 H new ATOM 0 HD21 ASN A 74 55.441 -32.885 5.671 1.00 0.00 H new ATOM 0 HD22 ASN A 74 54.090 -34.020 5.761 1.00 0.00 H new ATOM 1154 N LYS A 75 48.944 -32.530 5.722 1.00 0.00 N ATOM 1155 CA LYS A 75 47.522 -32.871 5.512 1.00 0.00 C ATOM 1156 C LYS A 75 46.570 -32.108 6.461 1.00 0.00 C ATOM 1157 O LYS A 75 45.419 -32.511 6.644 1.00 0.00 O ATOM 1158 CB LYS A 75 47.370 -34.395 5.693 1.00 0.00 C ATOM 1159 CG LYS A 75 48.272 -35.221 4.760 1.00 0.00 C ATOM 1160 CD LYS A 75 48.389 -36.666 5.254 1.00 0.00 C ATOM 1161 CE LYS A 75 49.554 -37.376 4.557 1.00 0.00 C ATOM 1162 NZ LYS A 75 49.264 -37.687 3.131 1.00 0.00 N ATOM 0 H LYS A 75 49.240 -32.740 6.675 1.00 0.00 H new ATOM 0 HA LYS A 75 47.236 -32.567 4.505 1.00 0.00 H new ATOM 0 HB2 LYS A 75 47.598 -34.654 6.727 1.00 0.00 H new ATOM 0 HB3 LYS A 75 46.330 -34.671 5.517 1.00 0.00 H new ATOM 0 HG2 LYS A 75 47.864 -35.210 3.749 1.00 0.00 H new ATOM 0 HG3 LYS A 75 49.262 -34.768 4.710 1.00 0.00 H new ATOM 0 HD2 LYS A 75 48.542 -36.677 6.333 1.00 0.00 H new ATOM 0 HD3 LYS A 75 47.459 -37.200 5.058 1.00 0.00 H new ATOM 0 HE2 LYS A 75 50.444 -36.749 4.615 1.00 0.00 H new ATOM 0 HE3 LYS A 75 49.781 -38.301 5.088 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 50.084 -38.166 2.707 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 48.432 -38.308 3.073 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 49.074 -36.804 2.615 1.00 0.00 H new ATOM 1176 N CYS A 76 47.063 -31.032 7.083 1.00 0.00 N ATOM 1177 CA CYS A 76 46.356 -30.175 8.042 1.00 0.00 C ATOM 1178 C CYS A 76 44.987 -29.690 7.473 1.00 0.00 C ATOM 1179 O CYS A 76 44.907 -29.367 6.280 1.00 0.00 O ATOM 1180 CB CYS A 76 47.337 -29.032 8.389 1.00 0.00 C ATOM 1181 SG CYS A 76 47.117 -28.377 10.073 1.00 0.00 S ATOM 0 H CYS A 76 48.020 -30.718 6.922 1.00 0.00 H new ATOM 0 HA CYS A 76 46.082 -30.710 8.952 1.00 0.00 H new ATOM 0 HB2 CYS A 76 48.359 -29.394 8.279 1.00 0.00 H new ATOM 0 HB3 CYS A 76 47.207 -28.221 7.672 1.00 0.00 H new ATOM 0 HG CYS A 76 48.278 -28.248 10.644 1.00 0.00 H new ATOM 1186 N PRO A 77 43.886 -29.656 8.256 1.00 0.00 N ATOM 1187 CA PRO A 77 42.558 -29.295 7.746 1.00 0.00 C ATOM 1188 C PRO A 77 42.394 -27.821 7.333 1.00 0.00 C ATOM 1189 O PRO A 77 41.546 -27.520 6.490 1.00 0.00 O ATOM 1190 CB PRO A 77 41.580 -29.672 8.862 1.00 0.00 C ATOM 1191 CG PRO A 77 42.424 -29.565 10.131 1.00 0.00 C ATOM 1192 CD PRO A 77 43.802 -30.026 9.661 1.00 0.00 C ATOM 0 HA PRO A 77 42.374 -29.831 6.815 1.00 0.00 H new ATOM 0 HB2 PRO A 77 40.725 -28.996 8.891 1.00 0.00 H new ATOM 0 HB3 PRO A 77 41.186 -30.679 8.726 1.00 0.00 H new ATOM 0 HG2 PRO A 77 42.448 -28.545 10.516 1.00 0.00 H new ATOM 0 HG3 PRO A 77 42.036 -30.198 10.929 1.00 0.00 H new ATOM 0 HD2 PRO A 77 44.593 -29.548 10.239 1.00 0.00 H new ATOM 0 HD3 PRO A 77 43.919 -31.102 9.790 1.00 0.00 H new ATOM 1200 N VAL A 78 43.182 -26.899 7.895 1.00 0.00 N ATOM 1201 CA VAL A 78 43.132 -25.462 7.567 1.00 0.00 C ATOM 1202 C VAL A 78 43.658 -25.241 6.134 1.00 0.00 C ATOM 1203 O VAL A 78 44.763 -25.696 5.829 1.00 0.00 O ATOM 1204 CB VAL A 78 43.952 -24.652 8.590 1.00 0.00 C ATOM 1205 CG1 VAL A 78 43.884 -23.146 8.315 1.00 0.00 C ATOM 1206 CG2 VAL A 78 43.434 -24.870 10.020 1.00 0.00 C ATOM 0 H VAL A 78 43.883 -27.128 8.600 1.00 0.00 H new ATOM 0 HA VAL A 78 42.100 -25.114 7.616 1.00 0.00 H new ATOM 0 HB VAL A 78 44.978 -25.006 8.492 1.00 0.00 H new ATOM 0 HG11 VAL A 78 44.476 -22.613 9.059 1.00 0.00 H new ATOM 0 HG12 VAL A 78 44.280 -22.939 7.321 1.00 0.00 H new ATOM 0 HG13 VAL A 78 42.848 -22.813 8.369 1.00 0.00 H new ATOM 0 HG21 VAL A 78 44.034 -24.285 10.717 1.00 0.00 H new ATOM 0 HG22 VAL A 78 42.393 -24.553 10.082 1.00 0.00 H new ATOM 0 HG23 VAL A 78 43.508 -25.927 10.276 1.00 0.00 H new ATOM 1216 N PRO A 79 42.920 -24.552 5.234 1.00 0.00 N ATOM 1217 CA PRO A 79 43.351 -24.371 3.841 1.00 0.00 C ATOM 1218 C PRO A 79 44.615 -23.511 3.685 1.00 0.00 C ATOM 1219 O PRO A 79 45.417 -23.738 2.777 1.00 0.00 O ATOM 1220 CB PRO A 79 42.146 -23.757 3.119 1.00 0.00 C ATOM 1221 CG PRO A 79 41.372 -23.045 4.227 1.00 0.00 C ATOM 1222 CD PRO A 79 41.614 -23.937 5.445 1.00 0.00 C ATOM 0 HA PRO A 79 43.645 -25.329 3.411 1.00 0.00 H new ATOM 0 HB2 PRO A 79 42.460 -23.061 2.341 1.00 0.00 H new ATOM 0 HB3 PRO A 79 41.538 -24.522 2.636 1.00 0.00 H new ATOM 0 HG2 PRO A 79 41.740 -22.032 4.389 1.00 0.00 H new ATOM 0 HG3 PRO A 79 40.311 -22.964 3.990 1.00 0.00 H new ATOM 0 HD2 PRO A 79 41.601 -23.354 6.366 1.00 0.00 H new ATOM 0 HD3 PRO A 79 40.835 -24.694 5.536 1.00 0.00 H new ATOM 1230 N PHE A 80 44.815 -22.527 4.565 1.00 0.00 N ATOM 1231 CA PHE A 80 45.981 -21.641 4.520 1.00 0.00 C ATOM 1232 C PHE A 80 47.227 -22.186 5.222 1.00 0.00 C ATOM 1233 O PHE A 80 48.321 -21.800 4.817 1.00 0.00 O ATOM 1234 CB PHE A 80 45.610 -20.271 5.093 1.00 0.00 C ATOM 1235 CG PHE A 80 45.106 -19.325 4.028 1.00 0.00 C ATOM 1236 CD1 PHE A 80 46.020 -18.582 3.253 1.00 0.00 C ATOM 1237 CD2 PHE A 80 43.727 -19.244 3.766 1.00 0.00 C ATOM 1238 CE1 PHE A 80 45.545 -17.752 2.220 1.00 0.00 C ATOM 1239 CE2 PHE A 80 43.255 -18.416 2.735 1.00 0.00 C ATOM 1240 CZ PHE A 80 44.164 -17.668 1.963 1.00 0.00 C ATOM 0 H PHE A 80 44.172 -22.322 5.330 1.00 0.00 H new ATOM 0 HA PHE A 80 46.254 -21.561 3.468 1.00 0.00 H new ATOM 0 HB2 PHE A 80 44.844 -20.395 5.859 1.00 0.00 H new ATOM 0 HB3 PHE A 80 46.482 -19.835 5.581 1.00 0.00 H new ATOM 0 HD1 PHE A 80 47.080 -18.649 3.451 1.00 0.00 H new ATOM 0 HD2 PHE A 80 43.030 -19.819 4.358 1.00 0.00 H new ATOM 0 HE1 PHE A 80 46.241 -17.179 1.624 1.00 0.00 H new ATOM 0 HE2 PHE A 80 42.196 -18.353 2.534 1.00 0.00 H new ATOM 0 HZ PHE A 80 43.801 -17.029 1.172 1.00 0.00 H new ATOM 1250 N CYS A 81 47.095 -23.059 6.230 1.00 0.00 N ATOM 1251 CA CYS A 81 48.238 -23.609 6.972 1.00 0.00 C ATOM 1252 C CYS A 81 49.327 -24.145 6.029 1.00 0.00 C ATOM 1253 O CYS A 81 50.463 -23.672 6.072 1.00 0.00 O ATOM 1254 CB CYS A 81 47.755 -24.670 7.976 1.00 0.00 C ATOM 1255 SG CYS A 81 49.133 -25.557 8.788 1.00 0.00 S ATOM 0 H CYS A 81 46.192 -23.404 6.554 1.00 0.00 H new ATOM 0 HA CYS A 81 48.704 -22.802 7.538 1.00 0.00 H new ATOM 0 HB2 CYS A 81 47.140 -24.190 8.737 1.00 0.00 H new ATOM 0 HB3 CYS A 81 47.120 -25.390 7.460 1.00 0.00 H new ATOM 0 HG CYS A 81 48.678 -26.629 9.367 1.00 0.00 H new ATOM 1260 N LEU A 82 48.974 -25.067 5.124 1.00 0.00 N ATOM 1261 CA LEU A 82 49.929 -25.643 4.168 1.00 0.00 C ATOM 1262 C LEU A 82 50.518 -24.588 3.222 1.00 0.00 C ATOM 1263 O LEU A 82 51.736 -24.520 3.059 1.00 0.00 O ATOM 1264 CB LEU A 82 49.301 -26.791 3.353 1.00 0.00 C ATOM 1265 CG LEU A 82 48.828 -28.046 4.116 1.00 0.00 C ATOM 1266 CD1 LEU A 82 49.734 -28.433 5.286 1.00 0.00 C ATOM 1267 CD2 LEU A 82 47.399 -27.917 4.633 1.00 0.00 C ATOM 0 H LEU A 82 48.026 -25.432 5.034 1.00 0.00 H new ATOM 0 HA LEU A 82 50.745 -26.049 4.767 1.00 0.00 H new ATOM 0 HB2 LEU A 82 48.446 -26.387 2.812 1.00 0.00 H new ATOM 0 HB3 LEU A 82 50.030 -27.108 2.607 1.00 0.00 H new ATOM 0 HG LEU A 82 48.875 -28.837 3.368 1.00 0.00 H new ATOM 0 HD11 LEU A 82 49.338 -29.324 5.774 1.00 0.00 H new ATOM 0 HD12 LEU A 82 50.738 -28.638 4.916 1.00 0.00 H new ATOM 0 HD13 LEU A 82 49.772 -27.613 6.003 1.00 0.00 H new ATOM 0 HD21 LEU A 82 47.120 -28.829 5.161 1.00 0.00 H new ATOM 0 HD22 LEU A 82 47.334 -27.068 5.314 1.00 0.00 H new ATOM 0 HD23 LEU A 82 46.721 -27.762 3.794 1.00 0.00 H new ATOM 1279 N ASN A 83 49.671 -23.749 2.616 1.00 0.00 N ATOM 1280 CA ASN A 83 50.103 -22.696 1.692 1.00 0.00 C ATOM 1281 C ASN A 83 51.100 -21.721 2.346 1.00 0.00 C ATOM 1282 O ASN A 83 52.117 -21.382 1.737 1.00 0.00 O ATOM 1283 CB ASN A 83 48.862 -21.988 1.120 1.00 0.00 C ATOM 1284 CG ASN A 83 48.161 -22.857 0.088 1.00 0.00 C ATOM 1285 OD1 ASN A 83 48.659 -23.073 -1.007 1.00 0.00 O ATOM 1286 ND2 ASN A 83 47.008 -23.413 0.388 1.00 0.00 N ATOM 0 H ASN A 83 48.661 -23.782 2.754 1.00 0.00 H new ATOM 0 HA ASN A 83 50.651 -23.149 0.866 1.00 0.00 H new ATOM 0 HB2 ASN A 83 48.171 -21.750 1.929 1.00 0.00 H new ATOM 0 HB3 ASN A 83 49.157 -21.043 0.664 1.00 0.00 H new ATOM 0 HD21 ASN A 83 46.541 -24.016 -0.289 1.00 0.00 H new ATOM 0 HD22 ASN A 83 46.581 -23.242 1.298 1.00 0.00 H new ATOM 1293 N ILE A 84 50.855 -21.313 3.596 1.00 0.00 N ATOM 1294 CA ILE A 84 51.764 -20.453 4.354 1.00 0.00 C ATOM 1295 C ILE A 84 53.027 -21.231 4.739 1.00 0.00 C ATOM 1296 O ILE A 84 54.128 -20.791 4.415 1.00 0.00 O ATOM 1297 CB ILE A 84 51.048 -19.867 5.594 1.00 0.00 C ATOM 1298 CG1 ILE A 84 49.867 -18.959 5.192 1.00 0.00 C ATOM 1299 CG2 ILE A 84 52.030 -19.091 6.497 1.00 0.00 C ATOM 1300 CD1 ILE A 84 48.887 -18.780 6.350 1.00 0.00 C ATOM 0 H ILE A 84 50.014 -21.573 4.112 1.00 0.00 H new ATOM 0 HA ILE A 84 52.068 -19.614 3.728 1.00 0.00 H new ATOM 0 HB ILE A 84 50.653 -20.711 6.159 1.00 0.00 H new ATOM 0 HG12 ILE A 84 50.244 -17.986 4.878 1.00 0.00 H new ATOM 0 HG13 ILE A 84 49.348 -19.391 4.337 1.00 0.00 H new ATOM 0 HG21 ILE A 84 51.495 -18.693 7.359 1.00 0.00 H new ATOM 0 HG22 ILE A 84 52.818 -19.762 6.838 1.00 0.00 H new ATOM 0 HG23 ILE A 84 52.472 -18.270 5.933 1.00 0.00 H new ATOM 0 HD11 ILE A 84 48.066 -18.135 6.036 1.00 0.00 H new ATOM 0 HD12 ILE A 84 48.492 -19.752 6.646 1.00 0.00 H new ATOM 0 HD13 ILE A 84 49.402 -18.325 7.196 1.00 0.00 H new ATOM 1312 N LYS A 85 52.886 -22.401 5.375 1.00 0.00 N ATOM 1313 CA LYS A 85 53.980 -23.283 5.821 1.00 0.00 C ATOM 1314 C LYS A 85 54.999 -23.529 4.715 1.00 0.00 C ATOM 1315 O LYS A 85 56.189 -23.347 4.953 1.00 0.00 O ATOM 1316 CB LYS A 85 53.353 -24.590 6.333 1.00 0.00 C ATOM 1317 CG LYS A 85 54.327 -25.684 6.795 1.00 0.00 C ATOM 1318 CD LYS A 85 53.536 -26.932 7.219 1.00 0.00 C ATOM 1319 CE LYS A 85 52.798 -26.713 8.547 1.00 0.00 C ATOM 1320 NZ LYS A 85 51.465 -27.344 8.570 1.00 0.00 N ATOM 0 H LYS A 85 51.967 -22.778 5.604 1.00 0.00 H new ATOM 0 HA LYS A 85 54.537 -22.804 6.626 1.00 0.00 H new ATOM 0 HB2 LYS A 85 52.692 -24.348 7.166 1.00 0.00 H new ATOM 0 HB3 LYS A 85 52.729 -25.002 5.540 1.00 0.00 H new ATOM 0 HG2 LYS A 85 55.017 -25.935 5.989 1.00 0.00 H new ATOM 0 HG3 LYS A 85 54.928 -25.321 7.629 1.00 0.00 H new ATOM 0 HD2 LYS A 85 52.817 -27.189 6.441 1.00 0.00 H new ATOM 0 HD3 LYS A 85 54.216 -27.778 7.316 1.00 0.00 H new ATOM 0 HE2 LYS A 85 53.399 -27.115 9.362 1.00 0.00 H new ATOM 0 HE3 LYS A 85 52.692 -25.643 8.726 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 51.285 -27.741 9.514 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 50.740 -26.632 8.350 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 51.429 -28.105 7.862 1.00 0.00 H new ATOM 1334 N HIS A 86 54.554 -23.877 3.507 1.00 0.00 N ATOM 1335 CA HIS A 86 55.440 -24.069 2.357 1.00 0.00 C ATOM 1336 C HIS A 86 56.307 -22.823 2.101 1.00 0.00 C ATOM 1337 O HIS A 86 57.532 -22.936 2.031 1.00 0.00 O ATOM 1338 CB HIS A 86 54.615 -24.448 1.122 1.00 0.00 C ATOM 1339 CG HIS A 86 54.145 -25.885 1.128 1.00 0.00 C ATOM 1340 ND1 HIS A 86 54.920 -27.010 1.312 1.00 0.00 N ATOM 1341 CD2 HIS A 86 52.864 -26.316 0.915 1.00 0.00 C ATOM 1342 CE1 HIS A 86 54.122 -28.089 1.230 1.00 0.00 C ATOM 1343 NE2 HIS A 86 52.853 -27.717 0.986 1.00 0.00 N ATOM 0 H HIS A 86 53.568 -24.034 3.298 1.00 0.00 H new ATOM 0 HA HIS A 86 56.125 -24.888 2.577 1.00 0.00 H new ATOM 0 HB2 HIS A 86 53.748 -23.791 1.059 1.00 0.00 H new ATOM 0 HB3 HIS A 86 55.213 -24.274 0.228 1.00 0.00 H new ATOM 0 HD2 HIS A 86 52.008 -25.686 0.725 1.00 0.00 H new ATOM 0 HE1 HIS A 86 54.453 -29.111 1.344 1.00 0.00 H new ATOM 0 HE2 HIS A 86 52.045 -28.330 0.875 1.00 0.00 H new ATOM 1351 N LYS A 87 55.702 -21.625 2.044 1.00 0.00 N ATOM 1352 CA LYS A 87 56.441 -20.363 1.866 1.00 0.00 C ATOM 1353 C LYS A 87 57.420 -20.094 3.013 1.00 0.00 C ATOM 1354 O LYS A 87 58.562 -19.729 2.743 1.00 0.00 O ATOM 1355 CB LYS A 87 55.476 -19.173 1.717 1.00 0.00 C ATOM 1356 CG LYS A 87 54.698 -19.181 0.389 1.00 0.00 C ATOM 1357 CD LYS A 87 53.692 -18.018 0.300 1.00 0.00 C ATOM 1358 CE LYS A 87 54.334 -16.624 0.400 1.00 0.00 C ATOM 1359 NZ LYS A 87 55.129 -16.273 -0.805 1.00 0.00 N ATOM 0 H LYS A 87 54.692 -21.504 2.120 1.00 0.00 H new ATOM 0 HA LYS A 87 57.021 -20.472 0.950 1.00 0.00 H new ATOM 0 HB2 LYS A 87 54.767 -19.183 2.545 1.00 0.00 H new ATOM 0 HB3 LYS A 87 56.041 -18.244 1.793 1.00 0.00 H new ATOM 0 HG2 LYS A 87 55.400 -19.117 -0.442 1.00 0.00 H new ATOM 0 HG3 LYS A 87 54.167 -20.128 0.286 1.00 0.00 H new ATOM 0 HD2 LYS A 87 53.152 -18.091 -0.644 1.00 0.00 H new ATOM 0 HD3 LYS A 87 52.957 -18.126 1.097 1.00 0.00 H new ATOM 0 HE2 LYS A 87 53.553 -15.878 0.545 1.00 0.00 H new ATOM 0 HE3 LYS A 87 54.978 -16.587 1.279 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 56.044 -15.875 -0.513 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 55.289 -17.127 -1.376 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 54.611 -15.571 -1.371 1.00 0.00 H new ATOM 1373 N LEU A 88 56.998 -20.270 4.272 1.00 0.00 N ATOM 1374 CA LEU A 88 57.838 -19.994 5.450 1.00 0.00 C ATOM 1375 C LEU A 88 59.030 -20.963 5.579 1.00 0.00 C ATOM 1376 O LEU A 88 60.152 -20.534 5.855 1.00 0.00 O ATOM 1377 CB LEU A 88 57.018 -20.015 6.761 1.00 0.00 C ATOM 1378 CG LEU A 88 55.702 -19.210 6.844 1.00 0.00 C ATOM 1379 CD1 LEU A 88 55.321 -18.998 8.309 1.00 0.00 C ATOM 1380 CD2 LEU A 88 55.696 -17.863 6.111 1.00 0.00 C ATOM 0 H LEU A 88 56.064 -20.608 4.505 1.00 0.00 H new ATOM 0 HA LEU A 88 58.234 -18.991 5.291 1.00 0.00 H new ATOM 0 HB2 LEU A 88 56.780 -21.056 6.981 1.00 0.00 H new ATOM 0 HB3 LEU A 88 57.669 -19.661 7.560 1.00 0.00 H new ATOM 0 HG LEU A 88 54.966 -19.820 6.319 1.00 0.00 H new ATOM 0 HD11 LEU A 88 54.392 -18.430 8.365 1.00 0.00 H new ATOM 0 HD12 LEU A 88 55.185 -19.965 8.793 1.00 0.00 H new ATOM 0 HD13 LEU A 88 56.114 -18.448 8.815 1.00 0.00 H new ATOM 0 HD21 LEU A 88 54.724 -17.385 6.236 1.00 0.00 H new ATOM 0 HD22 LEU A 88 56.473 -17.220 6.525 1.00 0.00 H new ATOM 0 HD23 LEU A 88 55.887 -18.025 5.050 1.00 0.00 H new ATOM 1704 N ASN B 722 32.507 -7.276 10.358 1.00 0.00 N ATOM 1705 CA ASN B 722 32.360 -7.769 11.729 1.00 0.00 C ATOM 1706 C ASN B 722 32.472 -9.301 11.845 1.00 0.00 C ATOM 1707 O ASN B 722 32.501 -9.821 12.962 1.00 0.00 O ATOM 1708 CB ASN B 722 31.078 -7.195 12.355 1.00 0.00 C ATOM 1709 CG ASN B 722 31.154 -5.729 12.778 1.00 0.00 C ATOM 1710 OD1 ASN B 722 30.175 -5.138 13.210 1.00 0.00 O ATOM 1711 ND2 ASN B 722 32.272 -5.046 12.649 1.00 0.00 N ATOM 0 HA ASN B 722 33.207 -7.404 12.311 1.00 0.00 H new ATOM 0 HB2 ASN B 722 30.263 -7.307 11.640 1.00 0.00 H new ATOM 0 HB3 ASN B 722 30.821 -7.794 13.228 1.00 0.00 H new ATOM 0 HD21 ASN B 722 32.299 -4.059 12.906 1.00 0.00 H new ATOM 0 HD22 ASN B 722 33.111 -5.504 12.292 1.00 0.00 H new ATOM 1718 N LEU B 723 32.634 -10.031 10.730 1.00 0.00 N ATOM 1719 CA LEU B 723 32.931 -11.469 10.751 1.00 0.00 C ATOM 1720 C LEU B 723 34.279 -11.767 11.438 1.00 0.00 C ATOM 1721 O LEU B 723 34.493 -12.891 11.874 1.00 0.00 O ATOM 1722 CB LEU B 723 32.919 -12.049 9.321 1.00 0.00 C ATOM 1723 CG LEU B 723 31.594 -11.952 8.546 1.00 0.00 C ATOM 1724 CD1 LEU B 723 31.703 -12.761 7.249 1.00 0.00 C ATOM 1725 CD2 LEU B 723 30.407 -12.495 9.343 1.00 0.00 C ATOM 0 H LEU B 723 32.563 -9.640 9.791 1.00 0.00 H new ATOM 0 HA LEU B 723 32.148 -11.953 11.335 1.00 0.00 H new ATOM 0 HB2 LEU B 723 33.690 -11.541 8.742 1.00 0.00 H new ATOM 0 HB3 LEU B 723 33.204 -13.100 9.378 1.00 0.00 H new ATOM 0 HG LEU B 723 31.419 -10.895 8.346 1.00 0.00 H new ATOM 0 HD11 LEU B 723 30.765 -12.694 6.698 1.00 0.00 H new ATOM 0 HD12 LEU B 723 32.512 -12.361 6.638 1.00 0.00 H new ATOM 0 HD13 LEU B 723 31.910 -13.804 7.487 1.00 0.00 H new ATOM 0 HD21 LEU B 723 29.497 -12.402 8.750 1.00 0.00 H new ATOM 0 HD22 LEU B 723 30.579 -13.544 9.582 1.00 0.00 H new ATOM 0 HD23 LEU B 723 30.297 -11.926 10.266 1.00 0.00 H new ATOM 1737 N LEU B 724 35.167 -10.770 11.555 1.00 0.00 N ATOM 1738 CA LEU B 724 36.524 -10.838 12.127 1.00 0.00 C ATOM 1739 C LEU B 724 36.670 -11.843 13.299 1.00 0.00 C ATOM 1740 O LEU B 724 36.140 -11.586 14.385 1.00 0.00 O ATOM 1741 CB LEU B 724 37.005 -9.424 12.517 1.00 0.00 C ATOM 1742 CG LEU B 724 36.888 -8.351 11.414 1.00 0.00 C ATOM 1743 CD1 LEU B 724 37.566 -7.061 11.870 1.00 0.00 C ATOM 1744 CD2 LEU B 724 37.529 -8.793 10.098 1.00 0.00 C ATOM 0 H LEU B 724 34.943 -9.829 11.231 1.00 0.00 H new ATOM 0 HA LEU B 724 37.173 -11.234 11.345 1.00 0.00 H new ATOM 0 HB2 LEU B 724 36.434 -9.092 13.384 1.00 0.00 H new ATOM 0 HB3 LEU B 724 38.048 -9.487 12.828 1.00 0.00 H new ATOM 0 HG LEU B 724 35.824 -8.193 11.241 1.00 0.00 H new ATOM 0 HD11 LEU B 724 37.480 -6.308 11.087 1.00 0.00 H new ATOM 0 HD12 LEU B 724 37.084 -6.698 12.777 1.00 0.00 H new ATOM 0 HD13 LEU B 724 38.619 -7.255 12.072 1.00 0.00 H new ATOM 0 HD21 LEU B 724 37.419 -8.002 9.356 1.00 0.00 H new ATOM 0 HD22 LEU B 724 38.588 -8.995 10.259 1.00 0.00 H new ATOM 0 HD23 LEU B 724 37.038 -9.698 9.740 1.00 0.00 H new ATOM 1756 N PRO B 725 37.362 -12.989 13.110 1.00 0.00 N ATOM 1757 CA PRO B 725 37.498 -14.041 14.126 1.00 0.00 C ATOM 1758 C PRO B 725 38.502 -13.734 15.252 1.00 0.00 C ATOM 1759 O PRO B 725 38.602 -14.500 16.210 1.00 0.00 O ATOM 1760 CB PRO B 725 37.953 -15.274 13.337 1.00 0.00 C ATOM 1761 CG PRO B 725 38.804 -14.674 12.224 1.00 0.00 C ATOM 1762 CD PRO B 725 38.028 -13.406 11.878 1.00 0.00 C ATOM 0 HA PRO B 725 36.551 -14.164 14.651 1.00 0.00 H new ATOM 0 HB2 PRO B 725 38.527 -15.961 13.958 1.00 0.00 H new ATOM 0 HB3 PRO B 725 37.106 -15.834 12.940 1.00 0.00 H new ATOM 0 HG2 PRO B 725 39.817 -14.453 12.559 1.00 0.00 H new ATOM 0 HG3 PRO B 725 38.890 -15.345 11.370 1.00 0.00 H new ATOM 0 HD2 PRO B 725 38.697 -12.627 11.514 1.00 0.00 H new ATOM 0 HD3 PRO B 725 37.302 -13.597 11.088 1.00 0.00 H new ATOM 1770 N MET B 726 39.252 -12.635 15.137 1.00 0.00 N ATOM 1771 CA MET B 726 40.291 -12.210 16.080 1.00 0.00 C ATOM 1772 C MET B 726 40.275 -10.685 16.235 1.00 0.00 C ATOM 1773 O MET B 726 39.988 -9.956 15.282 1.00 0.00 O ATOM 1774 CB MET B 726 41.625 -12.741 15.542 1.00 0.00 C ATOM 1775 CG MET B 726 42.845 -12.417 16.400 1.00 0.00 C ATOM 1776 SD MET B 726 44.349 -13.321 15.936 1.00 0.00 S ATOM 1777 CE MET B 726 44.578 -12.776 14.222 1.00 0.00 C ATOM 0 H MET B 726 39.148 -11.991 14.353 1.00 0.00 H new ATOM 0 HA MET B 726 40.122 -12.611 17.079 1.00 0.00 H new ATOM 0 HB2 MET B 726 41.551 -13.823 15.437 1.00 0.00 H new ATOM 0 HB3 MET B 726 41.784 -12.334 14.543 1.00 0.00 H new ATOM 0 HG2 MET B 726 43.045 -11.347 16.337 1.00 0.00 H new ATOM 0 HG3 MET B 726 42.610 -12.637 17.442 1.00 0.00 H new ATOM 0 HE1 MET B 726 45.513 -13.180 13.834 1.00 0.00 H new ATOM 0 HE2 MET B 726 43.748 -13.133 13.613 1.00 0.00 H new ATOM 0 HE3 MET B 726 44.611 -11.687 14.188 1.00 0.00 H new ATOM 1787 N SER B 727 40.573 -10.212 17.443 1.00 0.00 N ATOM 1788 CA SER B 727 40.551 -8.793 17.837 1.00 0.00 C ATOM 1789 C SER B 727 41.815 -8.047 17.387 1.00 0.00 C ATOM 1790 O SER B 727 42.854 -8.689 17.216 1.00 0.00 O ATOM 1791 CB SER B 727 40.462 -8.689 19.373 1.00 0.00 C ATOM 1792 OG SER B 727 39.497 -9.571 19.917 1.00 0.00 O ATOM 0 H SER B 727 40.848 -10.826 18.210 1.00 0.00 H new ATOM 0 HA SER B 727 39.686 -8.338 17.354 1.00 0.00 H new ATOM 0 HB2 SER B 727 41.437 -8.909 19.807 1.00 0.00 H new ATOM 0 HB3 SER B 727 40.213 -7.665 19.652 1.00 0.00 H new ATOM 0 HG SER B 727 39.869 -10.477 19.960 1.00 0.00 H new ATOM 1798 N PRO B 728 41.802 -6.706 17.250 1.00 0.00 N ATOM 1799 CA PRO B 728 43.009 -5.950 16.896 1.00 0.00 C ATOM 1800 C PRO B 728 44.120 -6.105 17.951 1.00 0.00 C ATOM 1801 O PRO B 728 45.297 -6.158 17.604 1.00 0.00 O ATOM 1802 CB PRO B 728 42.554 -4.497 16.719 1.00 0.00 C ATOM 1803 CG PRO B 728 41.274 -4.405 17.548 1.00 0.00 C ATOM 1804 CD PRO B 728 40.671 -5.805 17.426 1.00 0.00 C ATOM 0 HA PRO B 728 43.460 -6.326 15.978 1.00 0.00 H new ATOM 0 HB2 PRO B 728 43.310 -3.796 17.074 1.00 0.00 H new ATOM 0 HB3 PRO B 728 42.368 -4.262 15.671 1.00 0.00 H new ATOM 0 HG2 PRO B 728 41.485 -4.148 18.586 1.00 0.00 H new ATOM 0 HG3 PRO B 728 40.599 -3.642 17.161 1.00 0.00 H new ATOM 0 HD2 PRO B 728 40.099 -6.064 18.317 1.00 0.00 H new ATOM 0 HD3 PRO B 728 39.987 -5.865 16.579 1.00 0.00 H new ATOM 1812 N GLU B 729 43.763 -6.235 19.236 1.00 0.00 N ATOM 1813 CA GLU B 729 44.714 -6.461 20.340 1.00 0.00 C ATOM 1814 C GLU B 729 45.374 -7.855 20.284 1.00 0.00 C ATOM 1815 O GLU B 729 46.490 -8.037 20.768 1.00 0.00 O ATOM 1816 CB GLU B 729 44.001 -6.282 21.690 1.00 0.00 C ATOM 1817 CG GLU B 729 43.513 -4.843 21.909 1.00 0.00 C ATOM 1818 CD GLU B 729 42.876 -4.679 23.302 1.00 0.00 C ATOM 1819 OE1 GLU B 729 41.649 -4.907 23.445 1.00 0.00 O ATOM 1820 OE2 GLU B 729 43.593 -4.311 24.265 1.00 0.00 O ATOM 0 H GLU B 729 42.792 -6.186 19.545 1.00 0.00 H new ATOM 0 HA GLU B 729 45.508 -5.722 20.231 1.00 0.00 H new ATOM 0 HB2 GLU B 729 43.151 -6.963 21.742 1.00 0.00 H new ATOM 0 HB3 GLU B 729 44.681 -6.559 22.496 1.00 0.00 H new ATOM 0 HG2 GLU B 729 44.350 -4.152 21.805 1.00 0.00 H new ATOM 0 HG3 GLU B 729 42.786 -4.581 21.140 1.00 0.00 H new ATOM 1827 N GLU B 730 44.717 -8.837 19.661 1.00 0.00 N ATOM 1828 CA GLU B 730 45.246 -10.192 19.451 1.00 0.00 C ATOM 1829 C GLU B 730 46.082 -10.210 18.162 1.00 0.00 C ATOM 1830 O GLU B 730 47.219 -10.679 18.160 1.00 0.00 O ATOM 1831 CB GLU B 730 44.084 -11.188 19.347 1.00 0.00 C ATOM 1832 CG GLU B 730 43.289 -11.317 20.648 1.00 0.00 C ATOM 1833 CD GLU B 730 42.066 -12.230 20.447 1.00 0.00 C ATOM 1834 OE1 GLU B 730 41.101 -11.798 19.769 1.00 0.00 O ATOM 1835 OE2 GLU B 730 42.064 -13.363 20.980 1.00 0.00 O ATOM 0 H GLU B 730 43.780 -8.711 19.279 1.00 0.00 H new ATOM 0 HA GLU B 730 45.877 -10.479 20.292 1.00 0.00 H new ATOM 0 HB2 GLU B 730 43.413 -10.873 18.548 1.00 0.00 H new ATOM 0 HB3 GLU B 730 44.475 -12.166 19.068 1.00 0.00 H new ATOM 0 HG2 GLU B 730 43.928 -11.723 21.432 1.00 0.00 H new ATOM 0 HG3 GLU B 730 42.963 -10.331 20.981 1.00 0.00 H new ATOM 1842 N PHE B 731 45.553 -9.622 17.082 1.00 0.00 N ATOM 1843 CA PHE B 731 46.260 -9.437 15.807 1.00 0.00 C ATOM 1844 C PHE B 731 47.615 -8.722 16.011 1.00 0.00 C ATOM 1845 O PHE B 731 48.599 -9.051 15.351 1.00 0.00 O ATOM 1846 CB PHE B 731 45.342 -8.668 14.841 1.00 0.00 C ATOM 1847 CG PHE B 731 45.887 -8.480 13.434 1.00 0.00 C ATOM 1848 CD1 PHE B 731 46.790 -7.434 13.159 1.00 0.00 C ATOM 1849 CD2 PHE B 731 45.469 -9.327 12.388 1.00 0.00 C ATOM 1850 CE1 PHE B 731 47.288 -7.252 11.856 1.00 0.00 C ATOM 1851 CE2 PHE B 731 45.955 -9.133 11.082 1.00 0.00 C ATOM 1852 CZ PHE B 731 46.872 -8.102 10.817 1.00 0.00 C ATOM 0 H PHE B 731 44.602 -9.254 17.069 1.00 0.00 H new ATOM 0 HA PHE B 731 46.494 -10.410 15.375 1.00 0.00 H new ATOM 0 HB2 PHE B 731 44.389 -9.194 14.776 1.00 0.00 H new ATOM 0 HB3 PHE B 731 45.136 -7.686 15.267 1.00 0.00 H new ATOM 0 HD1 PHE B 731 47.101 -6.769 13.952 1.00 0.00 H new ATOM 0 HD2 PHE B 731 44.773 -10.128 12.590 1.00 0.00 H new ATOM 0 HE1 PHE B 731 47.991 -6.458 11.654 1.00 0.00 H new ATOM 0 HE2 PHE B 731 45.623 -9.778 10.282 1.00 0.00 H new ATOM 0 HZ PHE B 731 47.256 -7.963 9.817 1.00 0.00 H new ATOM 1862 N ASP B 732 47.694 -7.783 16.959 1.00 0.00 N ATOM 1863 CA ASP B 732 48.920 -7.078 17.357 1.00 0.00 C ATOM 1864 C ASP B 732 50.004 -8.044 17.890 1.00 0.00 C ATOM 1865 O ASP B 732 51.177 -7.911 17.543 1.00 0.00 O ATOM 1866 CB ASP B 732 48.530 -6.021 18.401 1.00 0.00 C ATOM 1867 CG ASP B 732 49.722 -5.246 18.974 1.00 0.00 C ATOM 1868 OD1 ASP B 732 50.409 -4.525 18.215 1.00 0.00 O ATOM 1869 OD2 ASP B 732 49.957 -5.338 20.203 1.00 0.00 O ATOM 0 H ASP B 732 46.877 -7.481 17.490 1.00 0.00 H new ATOM 0 HA ASP B 732 49.367 -6.597 16.487 1.00 0.00 H new ATOM 0 HB2 ASP B 732 47.834 -5.315 17.947 1.00 0.00 H new ATOM 0 HB3 ASP B 732 48.000 -6.510 19.218 1.00 0.00 H new ATOM 1874 N GLU B 733 49.630 -9.068 18.666 1.00 0.00 N ATOM 1875 CA GLU B 733 50.548 -10.115 19.146 1.00 0.00 C ATOM 1876 C GLU B 733 50.905 -11.103 18.035 1.00 0.00 C ATOM 1877 O GLU B 733 52.048 -11.557 17.971 1.00 0.00 O ATOM 1878 CB GLU B 733 49.926 -10.841 20.351 1.00 0.00 C ATOM 1879 CG GLU B 733 50.917 -11.741 21.108 1.00 0.00 C ATOM 1880 CD GLU B 733 52.098 -10.963 21.714 1.00 0.00 C ATOM 1881 OE1 GLU B 733 51.951 -9.743 21.965 1.00 0.00 O ATOM 1882 OE2 GLU B 733 53.160 -11.569 21.984 1.00 0.00 O ATOM 0 H GLU B 733 48.669 -9.197 18.984 1.00 0.00 H new ATOM 0 HA GLU B 733 51.477 -9.639 19.461 1.00 0.00 H new ATOM 0 HB2 GLU B 733 49.521 -10.101 21.041 1.00 0.00 H new ATOM 0 HB3 GLU B 733 49.088 -11.447 20.006 1.00 0.00 H new ATOM 0 HG2 GLU B 733 50.388 -12.264 21.904 1.00 0.00 H new ATOM 0 HG3 GLU B 733 51.301 -12.501 20.427 1.00 0.00 H new ATOM 1889 N VAL B 734 49.982 -11.383 17.106 1.00 0.00 N ATOM 1890 CA VAL B 734 50.291 -12.208 15.940 1.00 0.00 C ATOM 1891 C VAL B 734 51.329 -11.476 15.084 1.00 0.00 C ATOM 1892 O VAL B 734 52.307 -12.081 14.650 1.00 0.00 O ATOM 1893 CB VAL B 734 49.018 -12.551 15.149 1.00 0.00 C ATOM 1894 CG1 VAL B 734 49.364 -13.286 13.861 1.00 0.00 C ATOM 1895 CG2 VAL B 734 48.037 -13.430 15.940 1.00 0.00 C ATOM 0 H VAL B 734 49.019 -11.050 17.142 1.00 0.00 H new ATOM 0 HA VAL B 734 50.712 -13.161 16.260 1.00 0.00 H new ATOM 0 HB VAL B 734 48.539 -11.595 14.938 1.00 0.00 H new ATOM 0 HG11 VAL B 734 48.448 -13.519 13.318 1.00 0.00 H new ATOM 0 HG12 VAL B 734 50.003 -12.655 13.243 1.00 0.00 H new ATOM 0 HG13 VAL B 734 49.889 -14.211 14.100 1.00 0.00 H new ATOM 0 HG21 VAL B 734 47.159 -13.637 15.328 1.00 0.00 H new ATOM 0 HG22 VAL B 734 48.523 -14.368 16.207 1.00 0.00 H new ATOM 0 HG23 VAL B 734 47.732 -12.909 16.847 1.00 0.00 H new ATOM 1905 N SER B 735 51.174 -10.162 14.904 1.00 0.00 N ATOM 1906 CA SER B 735 52.111 -9.306 14.164 1.00 0.00 C ATOM 1907 C SER B 735 53.521 -9.299 14.767 1.00 0.00 C ATOM 1908 O SER B 735 54.490 -9.244 14.009 1.00 0.00 O ATOM 1909 CB SER B 735 51.587 -7.867 14.073 1.00 0.00 C ATOM 1910 OG SER B 735 50.338 -7.820 13.406 1.00 0.00 O ATOM 0 H SER B 735 50.375 -9.649 15.277 1.00 0.00 H new ATOM 0 HA SER B 735 52.182 -9.735 13.165 1.00 0.00 H new ATOM 0 HB2 SER B 735 51.484 -7.450 15.075 1.00 0.00 H new ATOM 0 HB3 SER B 735 52.309 -7.246 13.543 1.00 0.00 H new ATOM 0 HG SER B 735 49.648 -8.219 13.976 1.00 0.00 H new ATOM 1916 N ARG B 736 53.673 -9.404 16.101 1.00 0.00 N ATOM 1917 CA ARG B 736 55.005 -9.464 16.750 1.00 0.00 C ATOM 1918 C ARG B 736 55.801 -10.702 16.333 1.00 0.00 C ATOM 1919 O ARG B 736 57.013 -10.615 16.137 1.00 0.00 O ATOM 1920 CB ARG B 736 54.901 -9.452 18.289 1.00 0.00 C ATOM 1921 CG ARG B 736 54.539 -8.074 18.848 1.00 0.00 C ATOM 1922 CD ARG B 736 54.596 -8.064 20.382 1.00 0.00 C ATOM 1923 NE ARG B 736 54.169 -6.749 20.895 1.00 0.00 N ATOM 1924 CZ ARG B 736 52.918 -6.334 20.958 1.00 0.00 C ATOM 1925 NH1 ARG B 736 51.902 -7.142 20.988 1.00 0.00 N ATOM 1926 NH2 ARG B 736 52.626 -5.070 20.962 1.00 0.00 N ATOM 0 H ARG B 736 52.891 -9.449 16.754 1.00 0.00 H new ATOM 0 HA ARG B 736 55.528 -8.570 16.412 1.00 0.00 H new ATOM 0 HB2 ARG B 736 54.149 -10.176 18.603 1.00 0.00 H new ATOM 0 HB3 ARG B 736 55.851 -9.774 18.715 1.00 0.00 H new ATOM 0 HG2 ARG B 736 55.225 -7.326 18.451 1.00 0.00 H new ATOM 0 HG3 ARG B 736 53.538 -7.796 18.517 1.00 0.00 H new ATOM 0 HD2 ARG B 736 53.952 -8.846 20.783 1.00 0.00 H new ATOM 0 HD3 ARG B 736 55.610 -8.283 20.718 1.00 0.00 H new ATOM 0 HE ARG B 736 54.895 -6.113 21.226 1.00 0.00 H new ATOM 0 HH11 ARG B 736 52.052 -8.151 20.963 1.00 0.00 H new ATOM 0 HH12 ARG B 736 50.954 -6.768 21.037 1.00 0.00 H new ATOM 0 HH21 ARG B 736 53.371 -4.374 20.916 1.00 0.00 H new ATOM 0 HH22 ARG B 736 51.652 -4.772 21.011 1.00 0.00 H new ATOM 1940 N ILE B 737 55.123 -11.846 16.217 1.00 0.00 N ATOM 1941 CA ILE B 737 55.752 -13.135 15.880 1.00 0.00 C ATOM 1942 C ILE B 737 55.835 -13.362 14.364 1.00 0.00 C ATOM 1943 O ILE B 737 56.885 -13.757 13.855 1.00 0.00 O ATOM 1944 CB ILE B 737 55.003 -14.295 16.575 1.00 0.00 C ATOM 1945 CG1 ILE B 737 54.877 -14.017 18.093 1.00 0.00 C ATOM 1946 CG2 ILE B 737 55.724 -15.634 16.321 1.00 0.00 C ATOM 1947 CD1 ILE B 737 54.234 -15.156 18.881 1.00 0.00 C ATOM 0 H ILE B 737 54.114 -11.909 16.354 1.00 0.00 H new ATOM 0 HA ILE B 737 56.777 -13.107 16.250 1.00 0.00 H new ATOM 0 HB ILE B 737 54.000 -14.366 16.153 1.00 0.00 H new ATOM 0 HG12 ILE B 737 55.869 -13.822 18.500 1.00 0.00 H new ATOM 0 HG13 ILE B 737 54.289 -13.111 18.239 1.00 0.00 H new ATOM 0 HG21 ILE B 737 55.182 -16.439 16.818 1.00 0.00 H new ATOM 0 HG22 ILE B 737 55.762 -15.829 15.249 1.00 0.00 H new ATOM 0 HG23 ILE B 737 56.739 -15.582 16.716 1.00 0.00 H new ATOM 0 HD11 ILE B 737 54.182 -14.885 19.935 1.00 0.00 H new ATOM 0 HD12 ILE B 737 53.228 -15.338 18.503 1.00 0.00 H new ATOM 0 HD13 ILE B 737 54.833 -16.060 18.768 1.00 0.00 H new ATOM 1959 N VAL B 738 54.744 -13.121 13.629 1.00 0.00 N ATOM 1960 CA VAL B 738 54.669 -13.311 12.167 1.00 0.00 C ATOM 1961 C VAL B 738 55.520 -12.278 11.412 1.00 0.00 C ATOM 1962 O VAL B 738 56.082 -12.588 10.361 1.00 0.00 O ATOM 1963 CB VAL B 738 53.204 -13.304 11.683 1.00 0.00 C ATOM 1964 CG1 VAL B 738 53.089 -13.534 10.171 1.00 0.00 C ATOM 1965 CG2 VAL B 738 52.421 -14.444 12.351 1.00 0.00 C ATOM 0 H VAL B 738 53.872 -12.783 14.035 1.00 0.00 H new ATOM 0 HA VAL B 738 55.089 -14.291 11.941 1.00 0.00 H new ATOM 0 HB VAL B 738 52.805 -12.323 11.942 1.00 0.00 H new ATOM 0 HG11 VAL B 738 52.039 -13.520 9.880 1.00 0.00 H new ATOM 0 HG12 VAL B 738 53.623 -12.745 9.641 1.00 0.00 H new ATOM 0 HG13 VAL B 738 53.524 -14.500 9.916 1.00 0.00 H new ATOM 0 HG21 VAL B 738 51.388 -14.429 12.002 1.00 0.00 H new ATOM 0 HG22 VAL B 738 52.878 -15.399 12.093 1.00 0.00 H new ATOM 0 HG23 VAL B 738 52.440 -14.313 13.433 1.00 0.00 H new ATOM 1975 N GLY B 739 55.638 -11.058 11.950 1.00 0.00 N ATOM 1976 CA GLY B 739 56.428 -9.949 11.388 1.00 0.00 C ATOM 1977 C GLY B 739 56.157 -9.631 9.909 1.00 0.00 C ATOM 1978 O GLY B 739 57.054 -9.161 9.208 1.00 0.00 O ATOM 0 H GLY B 739 55.170 -10.804 12.820 1.00 0.00 H new ATOM 0 HA2 GLY B 739 56.234 -9.052 11.977 1.00 0.00 H new ATOM 0 HA3 GLY B 739 57.486 -10.184 11.504 1.00 0.00 H new ATOM 1982 N SER B 740 54.940 -9.917 9.428 1.00 0.00 N ATOM 1983 CA SER B 740 54.491 -9.754 8.030 1.00 0.00 C ATOM 1984 C SER B 740 55.392 -10.437 6.976 1.00 0.00 C ATOM 1985 O SER B 740 55.397 -10.021 5.817 1.00 0.00 O ATOM 1986 CB SER B 740 54.250 -8.271 7.706 1.00 0.00 C ATOM 1987 OG SER B 740 53.338 -7.694 8.631 1.00 0.00 O ATOM 0 H SER B 740 54.203 -10.286 10.028 1.00 0.00 H new ATOM 0 HA SER B 740 53.544 -10.289 7.960 1.00 0.00 H new ATOM 0 HB2 SER B 740 55.196 -7.730 7.735 1.00 0.00 H new ATOM 0 HB3 SER B 740 53.858 -8.174 6.694 1.00 0.00 H new ATOM 0 HG SER B 740 53.200 -6.750 8.408 1.00 0.00 H new ATOM 1993 N VAL B 741 56.144 -11.476 7.378 1.00 0.00 N ATOM 1994 CA VAL B 741 57.126 -12.290 6.617 1.00 0.00 C ATOM 1995 C VAL B 741 57.077 -12.169 5.079 1.00 0.00 C ATOM 1996 O VAL B 741 57.987 -11.601 4.476 1.00 0.00 O ATOM 1997 CB VAL B 741 57.099 -13.744 7.149 1.00 0.00 C ATOM 1998 CG1 VAL B 741 55.724 -14.439 7.110 1.00 0.00 C ATOM 1999 CG2 VAL B 741 58.129 -14.633 6.451 1.00 0.00 C ATOM 0 H VAL B 741 56.077 -11.805 8.341 1.00 0.00 H new ATOM 0 HA VAL B 741 58.108 -11.858 6.811 1.00 0.00 H new ATOM 0 HB VAL B 741 57.356 -13.625 8.202 1.00 0.00 H new ATOM 0 HG11 VAL B 741 55.817 -15.451 7.504 1.00 0.00 H new ATOM 0 HG12 VAL B 741 55.015 -13.877 7.717 1.00 0.00 H new ATOM 0 HG13 VAL B 741 55.367 -14.482 6.081 1.00 0.00 H new ATOM 0 HG21 VAL B 741 58.073 -15.643 6.857 1.00 0.00 H new ATOM 0 HG22 VAL B 741 57.921 -14.660 5.381 1.00 0.00 H new ATOM 0 HG23 VAL B 741 59.128 -14.231 6.616 1.00 0.00 H new ATOM 2009 N GLU B 742 55.999 -12.643 4.452 1.00 0.00 N ATOM 2010 CA GLU B 742 55.677 -12.547 3.008 1.00 0.00 C ATOM 2011 C GLU B 742 54.143 -12.418 2.842 1.00 0.00 C ATOM 2012 O GLU B 742 53.546 -12.847 1.857 1.00 0.00 O ATOM 2013 CB GLU B 742 56.204 -13.778 2.243 1.00 0.00 C ATOM 2014 CG GLU B 742 57.734 -13.821 2.105 1.00 0.00 C ATOM 2015 CD GLU B 742 58.224 -14.965 1.195 1.00 0.00 C ATOM 2016 OE1 GLU B 742 57.526 -15.320 0.213 1.00 0.00 O ATOM 2017 OE2 GLU B 742 59.331 -15.500 1.451 1.00 0.00 O ATOM 0 H GLU B 742 55.271 -13.140 4.966 1.00 0.00 H new ATOM 0 HA GLU B 742 56.165 -11.667 2.589 1.00 0.00 H new ATOM 0 HB2 GLU B 742 55.870 -14.681 2.754 1.00 0.00 H new ATOM 0 HB3 GLU B 742 55.759 -13.792 1.248 1.00 0.00 H new ATOM 0 HG2 GLU B 742 58.084 -12.870 1.704 1.00 0.00 H new ATOM 0 HG3 GLU B 742 58.180 -13.934 3.093 1.00 0.00 H new ATOM 2024 N PHE B 743 53.502 -11.888 3.883 1.00 0.00 N ATOM 2025 CA PHE B 743 52.064 -11.807 4.138 1.00 0.00 C ATOM 2026 C PHE B 743 51.122 -11.446 2.972 1.00 0.00 C ATOM 2027 O PHE B 743 50.047 -12.032 2.845 1.00 0.00 O ATOM 2028 CB PHE B 743 51.906 -10.890 5.347 1.00 0.00 C ATOM 2029 CG PHE B 743 50.655 -11.132 6.146 1.00 0.00 C ATOM 2030 CD1 PHE B 743 50.418 -12.395 6.729 1.00 0.00 C ATOM 2031 CD2 PHE B 743 49.756 -10.070 6.349 1.00 0.00 C ATOM 2032 CE1 PHE B 743 49.268 -12.579 7.511 1.00 0.00 C ATOM 2033 CE2 PHE B 743 48.612 -10.267 7.136 1.00 0.00 C ATOM 2034 CZ PHE B 743 48.362 -11.524 7.702 1.00 0.00 C ATOM 0 H PHE B 743 54.030 -11.462 4.645 1.00 0.00 H new ATOM 0 HA PHE B 743 51.714 -12.823 4.318 1.00 0.00 H new ATOM 0 HB2 PHE B 743 52.770 -11.016 5.999 1.00 0.00 H new ATOM 0 HB3 PHE B 743 51.911 -9.855 5.007 1.00 0.00 H new ATOM 0 HD1 PHE B 743 51.112 -13.208 6.575 1.00 0.00 H new ATOM 0 HD2 PHE B 743 49.946 -9.106 5.900 1.00 0.00 H new ATOM 0 HE1 PHE B 743 49.078 -13.539 7.969 1.00 0.00 H new ATOM 0 HE2 PHE B 743 47.925 -9.451 7.305 1.00 0.00 H new ATOM 0 HZ PHE B 743 47.468 -11.682 8.288 1.00 0.00 H new ATOM 2044 N ASP B 744 51.505 -10.533 2.081 1.00 0.00 N ATOM 2045 CA ASP B 744 50.712 -10.166 0.894 1.00 0.00 C ATOM 2046 C ASP B 744 50.817 -11.189 -0.270 1.00 0.00 C ATOM 2047 O ASP B 744 50.270 -10.968 -1.352 1.00 0.00 O ATOM 2048 CB ASP B 744 51.068 -8.735 0.466 1.00 0.00 C ATOM 2049 CG ASP B 744 52.511 -8.611 -0.058 1.00 0.00 C ATOM 2050 OD1 ASP B 744 53.460 -8.726 0.754 1.00 0.00 O ATOM 2051 OD2 ASP B 744 52.701 -8.377 -1.275 1.00 0.00 O ATOM 0 H ASP B 744 52.382 -10.018 2.158 1.00 0.00 H new ATOM 0 HA ASP B 744 49.659 -10.197 1.174 1.00 0.00 H new ATOM 0 HB2 ASP B 744 50.375 -8.410 -0.310 1.00 0.00 H new ATOM 0 HB3 ASP B 744 50.935 -8.063 1.314 1.00 0.00 H new ATOM 2056 N SER B 745 51.513 -12.313 -0.055 1.00 0.00 N ATOM 2057 CA SER B 745 51.761 -13.407 -1.010 1.00 0.00 C ATOM 2058 C SER B 745 51.334 -14.790 -0.465 1.00 0.00 C ATOM 2059 O SER B 745 51.546 -15.811 -1.120 1.00 0.00 O ATOM 2060 CB SER B 745 53.255 -13.364 -1.384 1.00 0.00 C ATOM 2061 OG SER B 745 53.628 -14.300 -2.386 1.00 0.00 O ATOM 0 H SER B 745 51.947 -12.497 0.849 1.00 0.00 H new ATOM 0 HA SER B 745 51.146 -13.262 -1.898 1.00 0.00 H new ATOM 0 HB2 SER B 745 53.504 -12.360 -1.729 1.00 0.00 H new ATOM 0 HB3 SER B 745 53.848 -13.550 -0.489 1.00 0.00 H new ATOM 0 HG SER B 745 53.074 -15.104 -2.305 1.00 0.00 H new ATOM 2067 N MET B 746 50.708 -14.870 0.720 1.00 0.00 N ATOM 2068 CA MET B 746 50.269 -16.140 1.344 1.00 0.00 C ATOM 2069 C MET B 746 49.330 -16.994 0.466 1.00 0.00 C ATOM 2070 O MET B 746 49.247 -18.209 0.647 1.00 0.00 O ATOM 2071 CB MET B 746 49.602 -15.879 2.703 1.00 0.00 C ATOM 2072 CG MET B 746 50.502 -15.239 3.776 1.00 0.00 C ATOM 2073 SD MET B 746 52.299 -15.242 3.498 1.00 0.00 S ATOM 2074 CE MET B 746 52.622 -16.952 3.911 1.00 0.00 C ATOM 0 H MET B 746 50.487 -14.048 1.283 1.00 0.00 H new ATOM 0 HA MET B 746 51.183 -16.720 1.473 1.00 0.00 H new ATOM 0 HB2 MET B 746 48.739 -15.232 2.545 1.00 0.00 H new ATOM 0 HB3 MET B 746 49.224 -16.826 3.089 1.00 0.00 H new ATOM 0 HG2 MET B 746 50.186 -14.204 3.902 1.00 0.00 H new ATOM 0 HG3 MET B 746 50.310 -15.749 4.720 1.00 0.00 H new ATOM 0 HE1 MET B 746 53.583 -17.252 3.493 1.00 0.00 H new ATOM 0 HE2 MET B 746 52.646 -17.066 4.995 1.00 0.00 H new ATOM 0 HE3 MET B 746 51.834 -17.581 3.498 1.00 0.00 H new