USER MOD reduce.3.24.130724 H: found=0, std=0, add=758, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 752 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 3 THR OG1 : rot 139:sc= 0.814 USER MOD Set 1.2: A 84 GLN :FLIP amide:sc= -0.65 F(o=-2.1,f=0.16) USER MOD Set 2.1: A 1 MET N :NH3+ 158:sc= 1.18 (180deg=0.000127) USER MOD Set 2.2: A 4 THR OG1 : rot -150:sc= 1.2 USER MOD Set 2.3: A 5 TYR OH : rot -178:sc= -0.029 USER MOD Single : A 1 MET CE :methyl 147:sc= -0.23 (180deg=-0.96) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 MET CE :methyl -111:sc= -0.622 (180deg=-4.29!) USER MOD Single : A 26 GLN : amide:sc= -1.5 K(o=-1.5,f=-2.8) USER MOD Single : A 27 ASN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 THR OG1 : rot 170:sc= 0.0472 USER MOD Single : A 41 SER OG : rot 180:sc= 0.0228 USER MOD Single : A 44 MET CE :methyl -166:sc= -0.0767 (180deg=-0.334) USER MOD Single : A 45 LYS NZ :NH3+ -160:sc=-0.00146 (180deg=-0.383) USER MOD Single : A 47 HIS : no HE2:sc= -1.42 K(o=-1.4,f=-2.8) USER MOD Single : A 48 TYR OH : rot -126:sc= 0.465 USER MOD Single : A 50 LYS NZ :NH3+ 167:sc= 0 (180deg=-0.135) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 56 GLN : amide:sc= -0.0935 X(o=-0.093,f=0) USER MOD Single : A 58 HIS : no HD1:sc= -0.454 X(o=-0.45,f=-0.32) USER MOD Single : A 59 THR OG1 : rot 180:sc= -0.956 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 ASN : amide:sc= -1.74 K(o=-1.7,f=-2.3) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 69 HIS : no HD1:sc= 0 X(o=0,f=-0.013) USER MOD Single : A 70 SER OG : rot -81:sc= 1.16 USER MOD Single : A 72 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 GLN :FLIP amide:sc= -2.31! C(o=-4.2!,f=-2.3!) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 88 GLN : amide:sc= 0 K(o=0,f=-0.85) USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 4.298 -0.549 -2.343 1.00 61.32 N ATOM 2 CA MET A 1 4.980 0.208 -1.300 1.00 14.02 C ATOM 3 C MET A 1 4.989 1.698 -1.628 1.00 25.33 C ATOM 4 O MET A 1 4.481 2.117 -2.667 1.00 1.31 O ATOM 5 CB MET A 1 6.413 -0.298 -1.127 1.00 1.53 C ATOM 6 CG MET A 1 6.515 -1.560 -0.286 1.00 50.11 C ATOM 7 SD MET A 1 8.205 -2.175 -0.158 1.00 42.32 S ATOM 8 CE MET A 1 9.041 -0.733 0.499 1.00 31.30 C ATOM 0 H1 MET A 1 4.610 -1.541 -2.313 1.00 61.32 H new ATOM 0 H2 MET A 1 3.270 -0.505 -2.189 1.00 61.32 H new ATOM 0 H3 MET A 1 4.526 -0.142 -3.273 1.00 61.32 H new ATOM 0 HA MET A 1 4.437 0.063 -0.366 1.00 14.02 H new ATOM 0 HB2 MET A 1 6.843 -0.491 -2.110 1.00 1.53 H new ATOM 0 HB3 MET A 1 7.013 0.486 -0.665 1.00 1.53 H new ATOM 0 HG2 MET A 1 6.129 -1.358 0.713 1.00 50.11 H new ATOM 0 HG3 MET A 1 5.883 -2.334 -0.721 1.00 50.11 H new ATOM 0 HE1 MET A 1 9.852 -1.050 1.155 1.00 31.30 H new ATOM 0 HE2 MET A 1 9.448 -0.143 -0.322 1.00 31.30 H new ATOM 0 HE3 MET A 1 8.333 -0.128 1.065 1.00 31.30 H new ATOM 18 N ALA A 2 5.571 2.492 -0.735 1.00 31.24 N ATOM 19 CA ALA A 2 5.648 3.934 -0.931 1.00 1.24 C ATOM 20 C ALA A 2 6.257 4.272 -2.287 1.00 51.12 C ATOM 21 O ALA A 2 5.975 5.324 -2.862 1.00 0.33 O ATOM 22 CB ALA A 2 6.456 4.576 0.187 1.00 1.24 C ATOM 0 H ALA A 2 5.996 2.161 0.131 1.00 31.24 H new ATOM 0 HA ALA A 2 4.634 4.333 -0.908 1.00 1.24 H new ATOM 0 HB1 ALA A 2 6.505 5.653 0.028 1.00 1.24 H new ATOM 0 HB2 ALA A 2 5.978 4.372 1.145 1.00 1.24 H new ATOM 0 HB3 ALA A 2 7.465 4.163 0.190 1.00 1.24 H new ATOM 28 N THR A 3 7.095 3.373 -2.795 1.00 55.43 N ATOM 29 CA THR A 3 7.745 3.577 -4.084 1.00 12.24 C ATOM 30 C THR A 3 6.729 3.568 -5.220 1.00 13.41 C ATOM 31 O THR A 3 6.655 4.511 -6.008 1.00 54.54 O ATOM 32 CB THR A 3 8.809 2.496 -4.353 1.00 53.31 C ATOM 33 OG1 THR A 3 8.402 1.253 -3.772 1.00 32.43 O ATOM 34 CG2 THR A 3 10.157 2.911 -3.784 1.00 63.31 C ATOM 0 H THR A 3 7.339 2.497 -2.333 1.00 55.43 H new ATOM 0 HA THR A 3 8.230 4.552 -4.043 1.00 12.24 H new ATOM 0 HB THR A 3 8.909 2.376 -5.432 1.00 53.31 H new ATOM 0 HG1 THR A 3 8.611 0.520 -4.388 1.00 32.43 H new ATOM 0 HG21 THR A 3 10.892 2.132 -3.986 1.00 63.31 H new ATOM 0 HG22 THR A 3 10.478 3.843 -4.250 1.00 63.31 H new ATOM 0 HG23 THR A 3 10.068 3.056 -2.707 1.00 63.31 H new ATOM 42 N THR A 4 5.945 2.497 -5.299 1.00 3.20 N ATOM 43 CA THR A 4 4.933 2.366 -6.339 1.00 63.44 C ATOM 44 C THR A 4 4.070 3.619 -6.428 1.00 70.24 C ATOM 45 O THR A 4 3.737 4.079 -7.521 1.00 20.31 O ATOM 46 CB THR A 4 4.025 1.147 -6.089 1.00 10.03 C ATOM 47 OG1 THR A 4 4.505 0.402 -4.964 1.00 73.52 O ATOM 48 CG2 THR A 4 3.974 0.248 -7.315 1.00 44.41 C ATOM 0 H THR A 4 5.992 1.708 -4.655 1.00 3.20 H new ATOM 0 HA THR A 4 5.464 2.227 -7.281 1.00 63.44 H new ATOM 0 HB THR A 4 3.018 1.509 -5.882 1.00 10.03 H new ATOM 0 HG1 THR A 4 4.278 -0.545 -5.077 1.00 73.52 H new ATOM 0 HG21 THR A 4 3.327 -0.606 -7.114 1.00 44.41 H new ATOM 0 HG22 THR A 4 3.581 0.810 -8.162 1.00 44.41 H new ATOM 0 HG23 THR A 4 4.978 -0.105 -7.549 1.00 44.41 H new ATOM 56 N TYR A 5 3.711 4.167 -5.273 1.00 40.31 N ATOM 57 CA TYR A 5 2.884 5.367 -5.221 1.00 4.30 C ATOM 58 C TYR A 5 3.717 6.615 -5.502 1.00 33.33 C ATOM 59 O TYR A 5 3.280 7.517 -6.215 1.00 40.22 O ATOM 60 CB TYR A 5 2.210 5.488 -3.854 1.00 14.14 C ATOM 61 CG TYR A 5 1.931 4.155 -3.196 1.00 51.31 C ATOM 62 CD1 TYR A 5 2.273 3.929 -1.869 1.00 20.45 C ATOM 63 CD2 TYR A 5 1.327 3.123 -3.902 1.00 74.32 C ATOM 64 CE1 TYR A 5 2.021 2.712 -1.264 1.00 1.44 C ATOM 65 CE2 TYR A 5 1.069 1.904 -3.305 1.00 65.21 C ATOM 66 CZ TYR A 5 1.419 1.703 -1.986 1.00 13.51 C ATOM 67 OH TYR A 5 1.166 0.490 -1.388 1.00 14.22 O ATOM 0 H TYR A 5 3.979 3.800 -4.360 1.00 40.31 H new ATOM 0 HA TYR A 5 2.117 5.283 -5.991 1.00 4.30 H new ATOM 0 HB2 TYR A 5 2.845 6.082 -3.197 1.00 14.14 H new ATOM 0 HB3 TYR A 5 1.272 6.031 -3.968 1.00 14.14 H new ATOM 0 HD1 TYR A 5 2.744 4.717 -1.300 1.00 20.45 H new ATOM 0 HD2 TYR A 5 1.054 3.276 -4.936 1.00 74.32 H new ATOM 0 HE1 TYR A 5 2.294 2.552 -0.231 1.00 1.44 H new ATOM 0 HE2 TYR A 5 0.596 1.113 -3.868 1.00 65.21 H new ATOM 0 HH TYR A 5 0.767 -0.120 -2.042 1.00 14.22 H new ATOM 77 N GLU A 6 4.919 6.656 -4.935 1.00 55.31 N ATOM 78 CA GLU A 6 5.813 7.793 -5.124 1.00 35.30 C ATOM 79 C GLU A 6 6.250 7.904 -6.582 1.00 2.14 C ATOM 80 O GLU A 6 6.666 8.970 -7.035 1.00 64.41 O ATOM 81 CB GLU A 6 7.040 7.660 -4.220 1.00 41.02 C ATOM 82 CG GLU A 6 7.916 8.902 -4.197 1.00 34.34 C ATOM 83 CD GLU A 6 8.537 9.151 -2.836 1.00 43.33 C ATOM 84 OE1 GLU A 6 8.838 8.165 -2.132 1.00 65.43 O ATOM 85 OE2 GLU A 6 8.722 10.332 -2.476 1.00 5.33 O ATOM 0 H GLU A 6 5.296 5.916 -4.342 1.00 55.31 H new ATOM 0 HA GLU A 6 5.270 8.699 -4.856 1.00 35.30 H new ATOM 0 HB2 GLU A 6 6.711 7.439 -3.205 1.00 41.02 H new ATOM 0 HB3 GLU A 6 7.636 6.811 -4.554 1.00 41.02 H new ATOM 0 HG2 GLU A 6 8.707 8.798 -4.940 1.00 34.34 H new ATOM 0 HG3 GLU A 6 7.320 9.768 -4.485 1.00 34.34 H new ATOM 92 N GLU A 7 6.153 6.796 -7.309 1.00 61.40 N ATOM 93 CA GLU A 7 6.540 6.769 -8.715 1.00 23.34 C ATOM 94 C GLU A 7 5.364 7.146 -9.610 1.00 40.33 C ATOM 95 O GLU A 7 5.523 7.880 -10.586 1.00 71.34 O ATOM 96 CB GLU A 7 7.062 5.382 -9.096 1.00 73.25 C ATOM 97 CG GLU A 7 7.840 5.362 -10.401 1.00 42.22 C ATOM 98 CD GLU A 7 9.327 5.150 -10.190 1.00 72.14 C ATOM 99 OE1 GLU A 7 9.691 4.303 -9.348 1.00 72.41 O ATOM 100 OE2 GLU A 7 10.126 5.831 -10.867 1.00 33.52 O ATOM 0 H GLU A 7 5.810 5.906 -6.948 1.00 61.40 H new ATOM 0 HA GLU A 7 7.334 7.501 -8.861 1.00 23.34 H new ATOM 0 HB2 GLU A 7 7.702 5.011 -8.295 1.00 73.25 H new ATOM 0 HB3 GLU A 7 6.220 4.695 -9.174 1.00 73.25 H new ATOM 0 HG2 GLU A 7 7.451 4.569 -11.040 1.00 42.22 H new ATOM 0 HG3 GLU A 7 7.682 6.303 -10.928 1.00 42.22 H new ATOM 107 N PHE A 8 4.183 6.639 -9.271 1.00 43.53 N ATOM 108 CA PHE A 8 2.980 6.921 -10.045 1.00 13.52 C ATOM 109 C PHE A 8 2.632 8.406 -9.989 1.00 5.35 C ATOM 110 O PHE A 8 2.323 9.021 -11.008 1.00 51.34 O ATOM 111 CB PHE A 8 1.806 6.091 -9.522 1.00 14.42 C ATOM 112 CG PHE A 8 1.269 5.113 -10.527 1.00 32.43 C ATOM 113 CD1 PHE A 8 1.003 3.802 -10.164 1.00 11.25 C ATOM 114 CD2 PHE A 8 1.031 5.503 -11.835 1.00 33.23 C ATOM 115 CE1 PHE A 8 0.509 2.899 -11.086 1.00 35.03 C ATOM 116 CE2 PHE A 8 0.536 4.604 -12.761 1.00 40.30 C ATOM 117 CZ PHE A 8 0.276 3.300 -12.386 1.00 52.54 C ATOM 0 H PHE A 8 4.034 6.031 -8.466 1.00 43.53 H new ATOM 0 HA PHE A 8 3.174 6.650 -11.083 1.00 13.52 H new ATOM 0 HB2 PHE A 8 2.123 5.548 -8.632 1.00 14.42 H new ATOM 0 HB3 PHE A 8 1.004 6.763 -9.216 1.00 14.42 H new ATOM 0 HD1 PHE A 8 1.184 3.482 -9.148 1.00 11.25 H new ATOM 0 HD2 PHE A 8 1.234 6.521 -12.134 1.00 33.23 H new ATOM 0 HE1 PHE A 8 0.305 1.881 -10.790 1.00 35.03 H new ATOM 0 HE2 PHE A 8 0.353 4.921 -13.777 1.00 40.30 H new ATOM 0 HZ PHE A 8 -0.109 2.596 -13.109 1.00 52.54 H new ATOM 127 N ALA A 9 2.686 8.975 -8.789 1.00 11.24 N ATOM 128 CA ALA A 9 2.379 10.387 -8.598 1.00 52.34 C ATOM 129 C ALA A 9 3.394 11.271 -9.315 1.00 2.34 C ATOM 130 O ALA A 9 3.102 12.417 -9.656 1.00 3.13 O ATOM 131 CB ALA A 9 2.337 10.723 -7.115 1.00 3.20 C ATOM 0 H ALA A 9 2.940 8.479 -7.934 1.00 11.24 H new ATOM 0 HA ALA A 9 1.397 10.582 -9.030 1.00 52.34 H new ATOM 0 HB1 ALA A 9 2.107 11.781 -6.988 1.00 3.20 H new ATOM 0 HB2 ALA A 9 1.568 10.123 -6.628 1.00 3.20 H new ATOM 0 HB3 ALA A 9 3.306 10.506 -6.665 1.00 3.20 H new ATOM 137 N ALA A 10 4.588 10.731 -9.539 1.00 13.52 N ATOM 138 CA ALA A 10 5.646 11.471 -10.216 1.00 13.13 C ATOM 139 C ALA A 10 5.572 11.276 -11.726 1.00 52.43 C ATOM 140 O ALA A 10 5.912 12.175 -12.496 1.00 53.12 O ATOM 141 CB ALA A 10 7.008 11.041 -9.692 1.00 42.42 C ATOM 0 H ALA A 10 4.846 9.784 -9.262 1.00 13.52 H new ATOM 0 HA ALA A 10 5.506 12.531 -10.006 1.00 13.13 H new ATOM 0 HB1 ALA A 10 7.789 11.601 -10.206 1.00 42.42 H new ATOM 0 HB2 ALA A 10 7.065 11.238 -8.621 1.00 42.42 H new ATOM 0 HB3 ALA A 10 7.147 9.975 -9.873 1.00 42.42 H new ATOM 147 N LYS A 11 5.126 10.097 -12.145 1.00 21.21 N ATOM 148 CA LYS A 11 5.007 9.783 -13.564 1.00 13.11 C ATOM 149 C LYS A 11 3.655 10.233 -14.109 1.00 11.24 C ATOM 150 O LYS A 11 3.460 10.319 -15.322 1.00 5.21 O ATOM 151 CB LYS A 11 5.186 8.280 -13.792 1.00 13.51 C ATOM 152 CG LYS A 11 5.964 7.945 -15.052 1.00 52.05 C ATOM 153 CD LYS A 11 7.327 7.359 -14.727 1.00 22.52 C ATOM 154 CE LYS A 11 8.368 8.448 -14.522 1.00 43.33 C ATOM 155 NZ LYS A 11 9.755 7.916 -14.624 1.00 5.30 N ATOM 0 H LYS A 11 4.841 9.342 -11.521 1.00 21.21 H new ATOM 0 HA LYS A 11 5.791 10.321 -14.097 1.00 13.11 H new ATOM 0 HB2 LYS A 11 5.700 7.849 -12.933 1.00 13.51 H new ATOM 0 HB3 LYS A 11 4.204 7.810 -13.845 1.00 13.51 H new ATOM 0 HG2 LYS A 11 5.396 7.235 -15.653 1.00 52.05 H new ATOM 0 HG3 LYS A 11 6.088 8.845 -15.654 1.00 52.05 H new ATOM 0 HD2 LYS A 11 7.256 6.748 -13.827 1.00 22.52 H new ATOM 0 HD3 LYS A 11 7.643 6.700 -15.536 1.00 22.52 H new ATOM 0 HE2 LYS A 11 8.224 9.232 -15.265 1.00 43.33 H new ATOM 0 HE3 LYS A 11 8.226 8.906 -13.543 1.00 43.33 H new ATOM 0 HZ1 LYS A 11 10.435 8.689 -14.478 1.00 5.30 H new ATOM 0 HZ2 LYS A 11 9.901 7.185 -13.898 1.00 5.30 H new ATOM 0 HZ3 LYS A 11 9.899 7.501 -15.567 1.00 5.30 H new ATOM 169 N LEU A 12 2.724 10.520 -13.205 1.00 42.53 N ATOM 170 CA LEU A 12 1.390 10.964 -13.596 1.00 23.24 C ATOM 171 C LEU A 12 1.285 12.485 -13.545 1.00 64.33 C ATOM 172 O LEU A 12 0.657 13.102 -14.405 1.00 14.21 O ATOM 173 CB LEU A 12 0.336 10.338 -12.681 1.00 54.02 C ATOM 174 CG LEU A 12 0.159 8.824 -12.799 1.00 34.22 C ATOM 175 CD1 LEU A 12 -0.551 8.272 -11.572 1.00 53.41 C ATOM 176 CD2 LEU A 12 -0.610 8.473 -14.065 1.00 12.55 C ATOM 0 H LEU A 12 2.868 10.453 -12.197 1.00 42.53 H new ATOM 0 HA LEU A 12 1.212 10.641 -14.622 1.00 23.24 H new ATOM 0 HB2 LEU A 12 0.594 10.574 -11.649 1.00 54.02 H new ATOM 0 HB3 LEU A 12 -0.623 10.813 -12.887 1.00 54.02 H new ATOM 0 HG LEU A 12 1.146 8.366 -12.859 1.00 34.22 H new ATOM 0 HD11 LEU A 12 -0.668 7.193 -11.674 1.00 53.41 H new ATOM 0 HD12 LEU A 12 0.038 8.490 -10.682 1.00 53.41 H new ATOM 0 HD13 LEU A 12 -1.533 8.736 -11.480 1.00 53.41 H new ATOM 0 HD21 LEU A 12 -0.726 7.391 -14.132 1.00 12.55 H new ATOM 0 HD22 LEU A 12 -1.593 8.942 -14.035 1.00 12.55 H new ATOM 0 HD23 LEU A 12 -0.062 8.834 -14.935 1.00 12.55 H new ATOM 188 N ASP A 13 1.907 13.082 -12.535 1.00 0.12 N ATOM 189 CA ASP A 13 1.887 14.531 -12.374 1.00 53.41 C ATOM 190 C ASP A 13 2.505 15.221 -13.586 1.00 2.31 C ATOM 191 O ASP A 13 2.312 16.419 -13.796 1.00 63.24 O ATOM 192 CB ASP A 13 2.636 14.936 -11.104 1.00 24.33 C ATOM 193 CG ASP A 13 1.760 14.869 -9.868 1.00 64.53 C ATOM 194 OD1 ASP A 13 2.312 14.731 -8.756 1.00 50.30 O ATOM 195 OD2 ASP A 13 0.523 14.954 -10.013 1.00 42.24 O ATOM 0 H ASP A 13 2.432 12.585 -11.815 1.00 0.12 H new ATOM 0 HA ASP A 13 0.847 14.847 -12.289 1.00 53.41 H new ATOM 0 HB2 ASP A 13 3.498 14.283 -10.970 1.00 24.33 H new ATOM 0 HB3 ASP A 13 3.019 15.950 -11.220 1.00 24.33 H new ATOM 200 N ARG A 14 3.250 14.458 -14.379 1.00 31.21 N ATOM 201 CA ARG A 14 3.899 14.996 -15.568 1.00 53.14 C ATOM 202 C ARG A 14 3.020 14.803 -16.801 1.00 44.41 C ATOM 203 O ARG A 14 3.385 15.207 -17.906 1.00 43.31 O ATOM 204 CB ARG A 14 5.255 14.322 -15.785 1.00 12.02 C ATOM 205 CG ARG A 14 6.436 15.265 -15.625 1.00 21.14 C ATOM 206 CD ARG A 14 7.690 14.703 -16.277 1.00 13.21 C ATOM 207 NE ARG A 14 8.634 14.185 -15.291 1.00 44.00 N ATOM 208 CZ ARG A 14 9.861 13.775 -15.593 1.00 60.45 C ATOM 209 NH1 ARG A 14 10.289 13.822 -16.847 1.00 43.24 N ATOM 210 NH2 ARG A 14 10.662 13.316 -14.641 1.00 23.25 N ATOM 0 H ARG A 14 3.419 13.465 -14.219 1.00 31.21 H new ATOM 0 HA ARG A 14 4.053 16.064 -15.415 1.00 53.14 H new ATOM 0 HB2 ARG A 14 5.360 13.499 -15.078 1.00 12.02 H new ATOM 0 HB3 ARG A 14 5.280 13.888 -16.785 1.00 12.02 H new ATOM 0 HG2 ARG A 14 6.195 16.231 -16.070 1.00 21.14 H new ATOM 0 HG3 ARG A 14 6.623 15.440 -14.565 1.00 21.14 H new ATOM 0 HD2 ARG A 14 7.414 13.906 -16.968 1.00 13.21 H new ATOM 0 HD3 ARG A 14 8.173 15.483 -16.866 1.00 13.21 H new ATOM 0 HE ARG A 14 8.335 14.135 -14.317 1.00 44.00 H new ATOM 0 HH11 ARG A 14 9.676 14.174 -17.582 1.00 43.24 H new ATOM 0 HH12 ARG A 14 11.232 13.507 -17.076 1.00 43.24 H new ATOM 0 HH21 ARG A 14 10.336 13.277 -13.675 1.00 23.25 H new ATOM 0 HH22 ARG A 14 11.604 13.002 -14.875 1.00 23.25 H new ATOM 224 N LEU A 15 1.862 14.184 -16.605 1.00 30.44 N ATOM 225 CA LEU A 15 0.931 13.936 -17.700 1.00 51.51 C ATOM 226 C LEU A 15 -0.344 14.755 -17.526 1.00 53.12 C ATOM 227 O LEU A 15 -0.763 15.471 -18.436 1.00 11.10 O ATOM 228 CB LEU A 15 0.588 12.448 -17.778 1.00 61.32 C ATOM 229 CG LEU A 15 1.662 11.484 -17.271 1.00 15.34 C ATOM 230 CD1 LEU A 15 1.210 10.042 -17.445 1.00 3.51 C ATOM 231 CD2 LEU A 15 2.979 11.724 -17.994 1.00 54.11 C ATOM 0 H LEU A 15 1.545 13.844 -15.697 1.00 30.44 H new ATOM 0 HA LEU A 15 1.413 14.240 -18.629 1.00 51.51 H new ATOM 0 HB2 LEU A 15 -0.325 12.276 -17.208 1.00 61.32 H new ATOM 0 HB3 LEU A 15 0.367 12.201 -18.816 1.00 61.32 H new ATOM 0 HG LEU A 15 1.816 11.669 -16.208 1.00 15.34 H new ATOM 0 HD11 LEU A 15 1.987 9.371 -17.079 1.00 3.51 H new ATOM 0 HD12 LEU A 15 0.292 9.878 -16.880 1.00 3.51 H new ATOM 0 HD13 LEU A 15 1.027 9.843 -18.501 1.00 3.51 H new ATOM 0 HD21 LEU A 15 3.731 11.029 -17.620 1.00 54.11 H new ATOM 0 HD22 LEU A 15 2.840 11.568 -19.064 1.00 54.11 H new ATOM 0 HD23 LEU A 15 3.310 12.747 -17.817 1.00 54.11 H new ATOM 243 N ASP A 16 -0.956 14.646 -16.352 1.00 24.21 N ATOM 244 CA ASP A 16 -2.182 15.379 -16.057 1.00 25.50 C ATOM 245 C ASP A 16 -3.175 15.262 -17.209 1.00 3.00 C ATOM 246 O ASP A 16 -3.996 16.152 -17.426 1.00 12.34 O ATOM 247 CB ASP A 16 -1.868 16.850 -15.784 1.00 51.53 C ATOM 248 CG ASP A 16 -0.677 17.028 -14.863 1.00 70.23 C ATOM 249 OD1 ASP A 16 -0.446 16.142 -14.014 1.00 34.24 O ATOM 250 OD2 ASP A 16 0.025 18.052 -14.993 1.00 1.24 O ATOM 0 H ASP A 16 -0.623 14.057 -15.589 1.00 24.21 H new ATOM 0 HA ASP A 16 -2.633 14.941 -15.167 1.00 25.50 H new ATOM 0 HB2 ASP A 16 -1.672 17.358 -16.728 1.00 51.53 H new ATOM 0 HB3 ASP A 16 -2.741 17.328 -15.340 1.00 51.53 H new ATOM 255 N ALA A 17 -3.092 14.159 -17.945 1.00 71.15 N ATOM 256 CA ALA A 17 -3.984 13.926 -19.075 1.00 20.45 C ATOM 257 C ALA A 17 -5.111 12.970 -18.696 1.00 3.30 C ATOM 258 O ALA A 17 -6.282 13.346 -18.701 1.00 74.23 O ATOM 259 CB ALA A 17 -3.202 13.380 -20.260 1.00 75.44 C ATOM 0 H ALA A 17 -2.417 13.413 -17.780 1.00 71.15 H new ATOM 0 HA ALA A 17 -4.431 14.879 -19.357 1.00 20.45 H new ATOM 0 HB1 ALA A 17 -3.880 13.211 -21.096 1.00 75.44 H new ATOM 0 HB2 ALA A 17 -2.437 14.099 -20.553 1.00 75.44 H new ATOM 0 HB3 ALA A 17 -2.728 12.439 -19.981 1.00 75.44 H new ATOM 265 N GLU A 18 -4.747 11.734 -18.369 1.00 14.14 N ATOM 266 CA GLU A 18 -5.729 10.725 -17.989 1.00 54.21 C ATOM 267 C GLU A 18 -6.041 10.804 -16.497 1.00 74.34 C ATOM 268 O GLU A 18 -7.182 11.047 -16.102 1.00 62.22 O ATOM 269 CB GLU A 18 -5.219 9.327 -18.342 1.00 21.54 C ATOM 270 CG GLU A 18 -6.297 8.256 -18.298 1.00 4.35 C ATOM 271 CD GLU A 18 -7.412 8.510 -19.293 1.00 1.10 C ATOM 272 OE1 GLU A 18 -7.103 8.828 -20.461 1.00 31.13 O ATOM 273 OE2 GLU A 18 -8.593 8.391 -18.905 1.00 3.21 O ATOM 0 H GLU A 18 -3.781 11.408 -18.360 1.00 14.14 H new ATOM 0 HA GLU A 18 -6.646 10.920 -18.545 1.00 54.21 H new ATOM 0 HB2 GLU A 18 -4.782 9.350 -19.340 1.00 21.54 H new ATOM 0 HB3 GLU A 18 -4.421 9.056 -17.651 1.00 21.54 H new ATOM 0 HG2 GLU A 18 -5.847 7.284 -18.502 1.00 4.35 H new ATOM 0 HG3 GLU A 18 -6.716 8.208 -17.293 1.00 4.35 H new ATOM 280 N PHE A 19 -5.020 10.596 -15.674 1.00 23.45 N ATOM 281 CA PHE A 19 -5.184 10.641 -14.225 1.00 61.03 C ATOM 282 C PHE A 19 -5.826 11.955 -13.792 1.00 0.54 C ATOM 283 O PHE A 19 -6.452 12.034 -12.735 1.00 74.23 O ATOM 284 CB PHE A 19 -3.831 10.468 -13.532 1.00 30.13 C ATOM 285 CG PHE A 19 -3.737 9.218 -12.705 1.00 21.43 C ATOM 286 CD1 PHE A 19 -3.601 7.979 -13.311 1.00 10.04 C ATOM 287 CD2 PHE A 19 -3.785 9.281 -11.321 1.00 60.04 C ATOM 288 CE1 PHE A 19 -3.514 6.827 -12.553 1.00 22.55 C ATOM 289 CE2 PHE A 19 -3.698 8.132 -10.558 1.00 42.02 C ATOM 290 CZ PHE A 19 -3.563 6.903 -11.174 1.00 53.25 C ATOM 0 H PHE A 19 -4.070 10.394 -15.985 1.00 23.45 H new ATOM 0 HA PHE A 19 -5.841 9.822 -13.932 1.00 61.03 H new ATOM 0 HB2 PHE A 19 -3.044 10.455 -14.286 1.00 30.13 H new ATOM 0 HB3 PHE A 19 -3.646 11.332 -12.893 1.00 30.13 H new ATOM 0 HD1 PHE A 19 -3.563 7.913 -14.388 1.00 10.04 H new ATOM 0 HD2 PHE A 19 -3.892 10.239 -10.834 1.00 60.04 H new ATOM 0 HE1 PHE A 19 -3.408 5.868 -13.038 1.00 22.55 H new ATOM 0 HE2 PHE A 19 -3.736 8.195 -9.480 1.00 42.02 H new ATOM 0 HZ PHE A 19 -3.496 6.004 -10.579 1.00 53.25 H new ATOM 300 N ALA A 20 -5.665 12.986 -14.615 1.00 65.02 N ATOM 301 CA ALA A 20 -6.229 14.297 -14.319 1.00 21.34 C ATOM 302 C ALA A 20 -7.752 14.269 -14.396 1.00 44.01 C ATOM 303 O ALA A 20 -8.437 14.868 -13.567 1.00 31.10 O ATOM 304 CB ALA A 20 -5.669 15.341 -15.273 1.00 62.21 C ATOM 0 H ALA A 20 -5.148 12.938 -15.493 1.00 65.02 H new ATOM 0 HA ALA A 20 -5.948 14.565 -13.301 1.00 21.34 H new ATOM 0 HB1 ALA A 20 -6.099 16.315 -15.040 1.00 62.21 H new ATOM 0 HB2 ALA A 20 -4.585 15.388 -15.166 1.00 62.21 H new ATOM 0 HB3 ALA A 20 -5.921 15.069 -16.298 1.00 62.21 H new ATOM 310 N LYS A 21 -8.276 13.571 -15.398 1.00 22.44 N ATOM 311 CA LYS A 21 -9.718 13.464 -15.584 1.00 61.20 C ATOM 312 C LYS A 21 -10.292 12.325 -14.747 1.00 0.21 C ATOM 313 O LYS A 21 -11.459 12.355 -14.356 1.00 51.21 O ATOM 314 CB LYS A 21 -10.047 13.240 -17.062 1.00 3.41 C ATOM 315 CG LYS A 21 -10.626 14.465 -17.748 1.00 42.41 C ATOM 316 CD LYS A 21 -12.059 14.722 -17.315 1.00 34.14 C ATOM 317 CE LYS A 21 -12.641 15.945 -18.007 1.00 3.11 C ATOM 318 NZ LYS A 21 -14.118 15.844 -18.164 1.00 70.45 N ATOM 0 H LYS A 21 -7.723 13.071 -16.094 1.00 22.44 H new ATOM 0 HA LYS A 21 -10.172 14.399 -15.254 1.00 61.20 H new ATOM 0 HB2 LYS A 21 -9.141 12.935 -17.585 1.00 3.41 H new ATOM 0 HB3 LYS A 21 -10.756 12.417 -17.147 1.00 3.41 H new ATOM 0 HG2 LYS A 21 -10.013 15.336 -17.516 1.00 42.41 H new ATOM 0 HG3 LYS A 21 -10.591 14.329 -18.829 1.00 42.41 H new ATOM 0 HD2 LYS A 21 -12.671 13.849 -17.542 1.00 34.14 H new ATOM 0 HD3 LYS A 21 -12.094 14.863 -16.235 1.00 34.14 H new ATOM 0 HE2 LYS A 21 -12.397 16.838 -17.431 1.00 3.11 H new ATOM 0 HE3 LYS A 21 -12.179 16.062 -18.987 1.00 3.11 H new ATOM 0 HZ1 LYS A 21 -14.476 16.697 -18.640 1.00 70.45 H new ATOM 0 HZ2 LYS A 21 -14.350 15.006 -18.735 1.00 70.45 H new ATOM 0 HZ3 LYS A 21 -14.562 15.758 -17.227 1.00 70.45 H new ATOM 332 N LYS A 22 -9.464 11.322 -14.473 1.00 52.55 N ATOM 333 CA LYS A 22 -9.888 10.175 -13.680 1.00 63.32 C ATOM 334 C LYS A 22 -9.909 10.519 -12.194 1.00 74.43 C ATOM 335 O LYS A 22 -10.816 10.114 -11.467 1.00 53.14 O ATOM 336 CB LYS A 22 -8.955 8.987 -13.926 1.00 70.31 C ATOM 337 CG LYS A 22 -9.663 7.762 -14.479 1.00 42.04 C ATOM 338 CD LYS A 22 -8.744 6.552 -14.507 1.00 51.04 C ATOM 339 CE LYS A 22 -9.492 5.276 -14.153 1.00 72.12 C ATOM 340 NZ LYS A 22 -8.777 4.062 -14.635 1.00 72.14 N ATOM 0 H LYS A 22 -8.495 11.281 -14.789 1.00 52.55 H new ATOM 0 HA LYS A 22 -10.899 9.906 -13.987 1.00 63.32 H new ATOM 0 HB2 LYS A 22 -8.172 9.289 -14.622 1.00 70.31 H new ATOM 0 HB3 LYS A 22 -8.464 8.721 -12.990 1.00 70.31 H new ATOM 0 HG2 LYS A 22 -10.539 7.541 -13.869 1.00 42.04 H new ATOM 0 HG3 LYS A 22 -10.021 7.972 -15.487 1.00 42.04 H new ATOM 0 HD2 LYS A 22 -8.302 6.453 -15.498 1.00 51.04 H new ATOM 0 HD3 LYS A 22 -7.923 6.701 -13.805 1.00 51.04 H new ATOM 0 HE2 LYS A 22 -9.619 5.217 -13.072 1.00 72.12 H new ATOM 0 HE3 LYS A 22 -10.490 5.307 -14.590 1.00 72.12 H new ATOM 0 HZ1 LYS A 22 -9.319 3.213 -14.374 1.00 72.14 H new ATOM 0 HZ2 LYS A 22 -8.678 4.105 -15.669 1.00 72.14 H new ATOM 0 HZ3 LYS A 22 -7.834 4.018 -14.199 1.00 72.14 H new ATOM 354 N MET A 23 -8.906 11.268 -11.750 1.00 42.33 N ATOM 355 CA MET A 23 -8.812 11.668 -10.351 1.00 52.41 C ATOM 356 C MET A 23 -10.084 12.383 -9.904 1.00 23.43 C ATOM 357 O MET A 23 -10.515 12.241 -8.760 1.00 55.02 O ATOM 358 CB MET A 23 -7.601 12.578 -10.139 1.00 3.14 C ATOM 359 CG MET A 23 -7.554 13.216 -8.760 1.00 13.23 C ATOM 360 SD MET A 23 -7.535 11.998 -7.431 1.00 34.23 S ATOM 361 CE MET A 23 -8.827 12.637 -6.367 1.00 3.11 C ATOM 0 H MET A 23 -8.147 11.610 -12.339 1.00 42.33 H new ATOM 0 HA MET A 23 -8.691 10.768 -9.749 1.00 52.41 H new ATOM 0 HB2 MET A 23 -6.690 11.999 -10.294 1.00 3.14 H new ATOM 0 HB3 MET A 23 -7.611 13.364 -10.894 1.00 3.14 H new ATOM 0 HG2 MET A 23 -6.666 13.844 -8.685 1.00 13.23 H new ATOM 0 HG3 MET A 23 -8.418 13.869 -8.637 1.00 13.23 H new ATOM 0 HE1 MET A 23 -8.385 13.014 -5.444 1.00 3.11 H new ATOM 0 HE2 MET A 23 -9.350 13.447 -6.876 1.00 3.11 H new ATOM 0 HE3 MET A 23 -9.533 11.840 -6.133 1.00 3.11 H new ATOM 371 N GLU A 24 -10.677 13.150 -10.813 1.00 35.33 N ATOM 372 CA GLU A 24 -11.899 13.886 -10.509 1.00 42.44 C ATOM 373 C GLU A 24 -13.093 12.942 -10.407 1.00 61.43 C ATOM 374 O GLU A 24 -14.111 13.276 -9.803 1.00 32.21 O ATOM 375 CB GLU A 24 -12.162 14.945 -11.583 1.00 33.25 C ATOM 376 CG GLU A 24 -13.377 15.811 -11.297 1.00 53.43 C ATOM 377 CD GLU A 24 -13.356 17.118 -12.067 1.00 22.20 C ATOM 378 OE1 GLU A 24 -13.049 17.087 -13.277 1.00 53.54 O ATOM 379 OE2 GLU A 24 -13.645 18.170 -11.460 1.00 22.34 O ATOM 0 H GLU A 24 -10.332 13.278 -11.764 1.00 35.33 H new ATOM 0 HA GLU A 24 -11.766 14.379 -9.546 1.00 42.44 H new ATOM 0 HB2 GLU A 24 -11.284 15.584 -11.674 1.00 33.25 H new ATOM 0 HB3 GLU A 24 -12.297 14.450 -12.545 1.00 33.25 H new ATOM 0 HG2 GLU A 24 -14.281 15.258 -11.552 1.00 53.43 H new ATOM 0 HG3 GLU A 24 -13.424 16.023 -10.229 1.00 53.43 H new ATOM 386 N GLU A 25 -12.959 11.761 -11.004 1.00 4.05 N ATOM 387 CA GLU A 25 -14.027 10.769 -10.981 1.00 22.32 C ATOM 388 C GLU A 25 -14.037 10.010 -9.657 1.00 1.44 C ATOM 389 O GLU A 25 -14.865 9.125 -9.443 1.00 51.44 O ATOM 390 CB GLU A 25 -13.865 9.786 -12.143 1.00 12.14 C ATOM 391 CG GLU A 25 -15.125 9.614 -12.974 1.00 34.43 C ATOM 392 CD GLU A 25 -14.891 9.874 -14.449 1.00 54.01 C ATOM 393 OE1 GLU A 25 -14.509 11.011 -14.797 1.00 22.12 O ATOM 394 OE2 GLU A 25 -15.091 8.942 -15.256 1.00 21.14 O ATOM 0 H GLU A 25 -12.122 11.469 -11.509 1.00 4.05 H new ATOM 0 HA GLU A 25 -14.977 11.293 -11.087 1.00 22.32 H new ATOM 0 HB2 GLU A 25 -13.058 10.130 -12.789 1.00 12.14 H new ATOM 0 HB3 GLU A 25 -13.565 8.815 -11.748 1.00 12.14 H new ATOM 0 HG2 GLU A 25 -15.506 8.601 -12.843 1.00 34.43 H new ATOM 0 HG3 GLU A 25 -15.894 10.294 -12.607 1.00 34.43 H new ATOM 401 N GLN A 26 -13.110 10.364 -8.772 1.00 14.12 N ATOM 402 CA GLN A 26 -13.012 9.716 -7.469 1.00 42.33 C ATOM 403 C GLN A 26 -14.357 9.732 -6.750 1.00 43.12 C ATOM 404 O GLN A 26 -14.651 8.850 -5.945 1.00 72.10 O ATOM 405 CB GLN A 26 -11.953 10.409 -6.610 1.00 44.33 C ATOM 406 CG GLN A 26 -11.735 9.746 -5.260 1.00 20.20 C ATOM 407 CD GLN A 26 -12.133 10.638 -4.101 1.00 22.14 C ATOM 408 OE1 GLN A 26 -13.255 11.143 -4.047 1.00 63.51 O ATOM 409 NE2 GLN A 26 -11.213 10.837 -3.164 1.00 0.12 N ATOM 0 H GLN A 26 -12.417 11.095 -8.933 1.00 14.12 H new ATOM 0 HA GLN A 26 -12.719 8.678 -7.629 1.00 42.33 H new ATOM 0 HB2 GLN A 26 -11.009 10.424 -7.154 1.00 44.33 H new ATOM 0 HB3 GLN A 26 -12.247 11.447 -6.452 1.00 44.33 H new ATOM 0 HG2 GLN A 26 -12.311 8.821 -5.216 1.00 20.20 H new ATOM 0 HG3 GLN A 26 -10.685 9.473 -5.159 1.00 20.20 H new ATOM 0 HE21 GLN A 26 -10.296 10.399 -3.249 1.00 0.12 H new ATOM 0 HE22 GLN A 26 -11.424 11.428 -2.360 1.00 0.12 H new ATOM 418 N ASN A 27 -15.169 10.742 -7.047 1.00 22.42 N ATOM 419 CA ASN A 27 -16.483 10.873 -6.428 1.00 23.35 C ATOM 420 C ASN A 27 -17.335 9.635 -6.692 1.00 41.34 C ATOM 421 O ASN A 27 -18.297 9.364 -5.973 1.00 40.54 O ATOM 422 CB ASN A 27 -17.196 12.119 -6.955 1.00 1.31 C ATOM 423 CG ASN A 27 -16.555 13.403 -6.465 1.00 3.24 C ATOM 424 OD1 ASN A 27 -15.412 13.709 -6.806 1.00 11.11 O ATOM 425 ND2 ASN A 27 -17.290 14.161 -5.659 1.00 43.44 N ATOM 0 H ASN A 27 -14.940 11.481 -7.712 1.00 22.42 H new ATOM 0 HA ASN A 27 -16.342 10.972 -5.352 1.00 23.35 H new ATOM 0 HB2 ASN A 27 -17.188 12.105 -8.045 1.00 1.31 H new ATOM 0 HB3 ASN A 27 -18.240 12.096 -6.644 1.00 1.31 H new ATOM 0 HD21 ASN A 27 -16.912 15.036 -5.296 1.00 43.44 H new ATOM 0 HD22 ASN A 27 -18.233 13.868 -5.403 1.00 43.44 H new ATOM 432 N LYS A 28 -16.975 8.886 -7.729 1.00 44.52 N ATOM 433 CA LYS A 28 -17.704 7.676 -8.090 1.00 5.25 C ATOM 434 C LYS A 28 -17.324 6.519 -7.172 1.00 24.42 C ATOM 435 O LYS A 28 -18.026 5.510 -7.106 1.00 35.01 O ATOM 436 CB LYS A 28 -17.421 7.300 -9.546 1.00 2.42 C ATOM 437 CG LYS A 28 -17.580 8.459 -10.515 1.00 1.01 C ATOM 438 CD LYS A 28 -19.041 8.833 -10.701 1.00 43.45 C ATOM 439 CE LYS A 28 -19.416 8.896 -12.174 1.00 53.01 C ATOM 440 NZ LYS A 28 -20.039 7.627 -12.642 1.00 71.11 N ATOM 0 H LYS A 28 -16.182 9.096 -8.335 1.00 44.52 H new ATOM 0 HA LYS A 28 -18.769 7.875 -7.974 1.00 5.25 H new ATOM 0 HB2 LYS A 28 -16.406 6.911 -9.621 1.00 2.42 H new ATOM 0 HB3 LYS A 28 -18.094 6.495 -9.842 1.00 2.42 H new ATOM 0 HG2 LYS A 28 -17.027 9.322 -10.145 1.00 1.01 H new ATOM 0 HG3 LYS A 28 -17.146 8.191 -11.479 1.00 1.01 H new ATOM 0 HD2 LYS A 28 -19.672 8.103 -10.194 1.00 43.45 H new ATOM 0 HD3 LYS A 28 -19.233 9.799 -10.234 1.00 43.45 H new ATOM 0 HE2 LYS A 28 -20.108 9.722 -12.338 1.00 53.01 H new ATOM 0 HE3 LYS A 28 -18.525 9.104 -12.767 1.00 53.01 H new ATOM 0 HZ1 LYS A 28 -20.280 7.710 -13.650 1.00 71.11 H new ATOM 0 HZ2 LYS A 28 -19.370 6.842 -12.509 1.00 71.11 H new ATOM 0 HZ3 LYS A 28 -20.903 7.442 -12.094 1.00 71.11 H new ATOM 454 N ARG A 29 -16.209 6.672 -6.464 1.00 60.54 N ATOM 455 CA ARG A 29 -15.737 5.639 -5.550 1.00 65.22 C ATOM 456 C ARG A 29 -16.846 5.209 -4.596 1.00 35.45 C ATOM 457 O ARG A 29 -16.811 4.110 -4.040 1.00 51.24 O ATOM 458 CB ARG A 29 -14.532 6.145 -4.754 1.00 71.51 C ATOM 459 CG ARG A 29 -14.900 7.114 -3.643 1.00 50.31 C ATOM 460 CD ARG A 29 -13.686 7.889 -3.155 1.00 22.44 C ATOM 461 NE ARG A 29 -13.463 7.711 -1.722 1.00 72.12 N ATOM 462 CZ ARG A 29 -14.180 8.322 -0.786 1.00 34.23 C ATOM 463 NH1 ARG A 29 -15.161 9.145 -1.129 1.00 50.40 N ATOM 464 NH2 ARG A 29 -13.917 8.109 0.497 1.00 34.03 N ATOM 0 H ARG A 29 -15.616 7.501 -6.506 1.00 60.54 H new ATOM 0 HA ARG A 29 -15.436 4.775 -6.142 1.00 65.22 H new ATOM 0 HB2 ARG A 29 -14.008 5.292 -4.322 1.00 71.51 H new ATOM 0 HB3 ARG A 29 -13.836 6.634 -5.436 1.00 71.51 H new ATOM 0 HG2 ARG A 29 -15.657 7.811 -4.002 1.00 50.31 H new ATOM 0 HG3 ARG A 29 -15.341 6.565 -2.811 1.00 50.31 H new ATOM 0 HD2 ARG A 29 -12.802 7.561 -3.703 1.00 22.44 H new ATOM 0 HD3 ARG A 29 -13.821 8.949 -3.372 1.00 22.44 H new ATOM 0 HE ARG A 29 -12.716 7.083 -1.424 1.00 72.12 H new ATOM 0 HH11 ARG A 29 -15.367 9.310 -2.114 1.00 50.40 H new ATOM 0 HH12 ARG A 29 -15.710 9.613 -0.408 1.00 50.40 H new ATOM 0 HH21 ARG A 29 -13.164 7.476 0.765 1.00 34.03 H new ATOM 0 HH22 ARG A 29 -14.468 8.579 1.215 1.00 34.03 H new ATOM 478 N PHE A 30 -17.831 6.082 -4.409 1.00 23.22 N ATOM 479 CA PHE A 30 -18.950 5.793 -3.520 1.00 53.32 C ATOM 480 C PHE A 30 -19.954 4.863 -4.195 1.00 31.34 C ATOM 481 O PHE A 30 -20.318 3.822 -3.647 1.00 22.31 O ATOM 482 CB PHE A 30 -19.643 7.091 -3.100 1.00 54.24 C ATOM 483 CG PHE A 30 -20.639 6.907 -1.991 1.00 51.41 C ATOM 484 CD1 PHE A 30 -21.909 6.420 -2.256 1.00 0.43 C ATOM 485 CD2 PHE A 30 -20.305 7.222 -0.684 1.00 13.14 C ATOM 486 CE1 PHE A 30 -22.828 6.250 -1.237 1.00 64.31 C ATOM 487 CE2 PHE A 30 -21.220 7.053 0.339 1.00 5.10 C ATOM 488 CZ PHE A 30 -22.483 6.568 0.062 1.00 64.52 C ATOM 0 H PHE A 30 -17.877 6.995 -4.861 1.00 23.22 H new ATOM 0 HA PHE A 30 -18.558 5.295 -2.633 1.00 53.32 H new ATOM 0 HB2 PHE A 30 -18.888 7.811 -2.784 1.00 54.24 H new ATOM 0 HB3 PHE A 30 -20.149 7.520 -3.965 1.00 54.24 H new ATOM 0 HD1 PHE A 30 -22.184 6.170 -3.270 1.00 0.43 H new ATOM 0 HD2 PHE A 30 -19.319 7.604 -0.462 1.00 13.14 H new ATOM 0 HE1 PHE A 30 -23.814 5.869 -1.457 1.00 64.31 H new ATOM 0 HE2 PHE A 30 -20.947 7.300 1.354 1.00 5.10 H new ATOM 0 HZ PHE A 30 -23.199 6.438 0.860 1.00 64.52 H new ATOM 498 N PHE A 31 -20.399 5.246 -5.387 1.00 24.21 N ATOM 499 CA PHE A 31 -21.362 4.448 -6.137 1.00 24.45 C ATOM 500 C PHE A 31 -20.746 3.121 -6.573 1.00 11.22 C ATOM 501 O PHE A 31 -21.450 2.128 -6.754 1.00 42.11 O ATOM 502 CB PHE A 31 -21.854 5.221 -7.361 1.00 52.51 C ATOM 503 CG PHE A 31 -23.064 4.611 -8.009 1.00 40.21 C ATOM 504 CD1 PHE A 31 -23.055 4.286 -9.356 1.00 21.32 C ATOM 505 CD2 PHE A 31 -24.211 4.364 -7.272 1.00 25.44 C ATOM 506 CE1 PHE A 31 -24.166 3.724 -9.955 1.00 74.33 C ATOM 507 CE2 PHE A 31 -25.325 3.801 -7.865 1.00 43.44 C ATOM 508 CZ PHE A 31 -25.303 3.482 -9.209 1.00 51.21 C ATOM 0 H PHE A 31 -20.108 6.105 -5.855 1.00 24.21 H new ATOM 0 HA PHE A 31 -22.209 4.238 -5.484 1.00 24.45 H new ATOM 0 HB2 PHE A 31 -22.087 6.244 -7.065 1.00 52.51 H new ATOM 0 HB3 PHE A 31 -21.049 5.277 -8.093 1.00 52.51 H new ATOM 0 HD1 PHE A 31 -22.169 4.474 -9.945 1.00 21.32 H new ATOM 0 HD2 PHE A 31 -24.235 4.614 -6.222 1.00 25.44 H new ATOM 0 HE1 PHE A 31 -24.145 3.474 -11.006 1.00 74.33 H new ATOM 0 HE2 PHE A 31 -26.212 3.611 -7.279 1.00 43.44 H new ATOM 0 HZ PHE A 31 -26.173 3.044 -9.675 1.00 51.21 H new ATOM 518 N ALA A 32 -19.428 3.114 -6.740 1.00 43.20 N ATOM 519 CA ALA A 32 -18.717 1.911 -7.153 1.00 65.15 C ATOM 520 C ALA A 32 -17.920 1.319 -5.996 1.00 32.33 C ATOM 521 O ALA A 32 -17.104 0.417 -6.188 1.00 42.51 O ATOM 522 CB ALA A 32 -17.797 2.218 -8.326 1.00 73.14 C ATOM 0 H ALA A 32 -18.831 3.928 -6.596 1.00 43.20 H new ATOM 0 HA ALA A 32 -19.455 1.173 -7.467 1.00 65.15 H new ATOM 0 HB1 ALA A 32 -17.272 1.310 -8.624 1.00 73.14 H new ATOM 0 HB2 ALA A 32 -18.387 2.588 -9.164 1.00 73.14 H new ATOM 0 HB3 ALA A 32 -17.072 2.976 -8.031 1.00 73.14 H new ATOM 528 N ASP A 33 -18.162 1.831 -4.794 1.00 52.22 N ATOM 529 CA ASP A 33 -17.467 1.352 -3.605 1.00 14.52 C ATOM 530 C ASP A 33 -17.652 -0.152 -3.436 1.00 75.30 C ATOM 531 O ASP A 33 -16.864 -0.814 -2.761 1.00 63.21 O ATOM 532 CB ASP A 33 -17.976 2.084 -2.362 1.00 14.03 C ATOM 533 CG ASP A 33 -16.887 2.298 -1.329 1.00 72.41 C ATOM 534 OD1 ASP A 33 -15.986 1.439 -1.231 1.00 22.44 O ATOM 535 OD2 ASP A 33 -16.936 3.324 -0.620 1.00 3.20 O ATOM 0 H ASP A 33 -18.834 2.578 -4.617 1.00 52.22 H new ATOM 0 HA ASP A 33 -16.404 1.557 -3.728 1.00 14.52 H new ATOM 0 HB2 ASP A 33 -18.389 3.049 -2.656 1.00 14.03 H new ATOM 0 HB3 ASP A 33 -18.789 1.512 -1.915 1.00 14.03 H new ATOM 540 N LYS A 34 -18.701 -0.687 -4.053 1.00 23.11 N ATOM 541 CA LYS A 34 -18.991 -2.114 -3.972 1.00 42.22 C ATOM 542 C LYS A 34 -17.757 -2.940 -4.319 1.00 62.42 C ATOM 543 O LYS A 34 -16.847 -2.482 -5.011 1.00 53.00 O ATOM 544 CB LYS A 34 -20.141 -2.475 -4.914 1.00 74.43 C ATOM 545 CG LYS A 34 -20.021 -1.845 -6.291 1.00 32.10 C ATOM 546 CD LYS A 34 -20.794 -2.634 -7.335 1.00 14.43 C ATOM 547 CE LYS A 34 -22.293 -2.402 -7.211 1.00 64.01 C ATOM 548 NZ LYS A 34 -23.019 -3.650 -6.847 1.00 64.30 N ATOM 0 H LYS A 34 -19.364 -0.153 -4.615 1.00 23.11 H new ATOM 0 HA LYS A 34 -19.283 -2.343 -2.947 1.00 42.22 H new ATOM 0 HB2 LYS A 34 -20.184 -3.559 -5.022 1.00 74.43 H new ATOM 0 HB3 LYS A 34 -21.082 -2.162 -4.461 1.00 74.43 H new ATOM 0 HG2 LYS A 34 -20.394 -0.821 -6.257 1.00 32.10 H new ATOM 0 HG3 LYS A 34 -18.971 -1.792 -6.578 1.00 32.10 H new ATOM 0 HD2 LYS A 34 -20.461 -2.345 -8.332 1.00 14.43 H new ATOM 0 HD3 LYS A 34 -20.579 -3.697 -7.223 1.00 14.43 H new ATOM 0 HE2 LYS A 34 -22.481 -1.639 -6.456 1.00 64.01 H new ATOM 0 HE3 LYS A 34 -22.680 -2.019 -8.155 1.00 64.01 H new ATOM 0 HZ1 LYS A 34 -24.037 -3.450 -6.772 1.00 64.30 H new ATOM 0 HZ2 LYS A 34 -22.860 -4.370 -7.580 1.00 64.30 H new ATOM 0 HZ3 LYS A 34 -22.667 -4.002 -5.934 1.00 64.30 H new ATOM 562 N PRO A 35 -17.723 -4.189 -3.830 1.00 2.22 N ATOM 563 CA PRO A 35 -16.606 -5.106 -4.077 1.00 74.02 C ATOM 564 C PRO A 35 -16.547 -5.569 -5.529 1.00 52.30 C ATOM 565 O PRO A 35 -17.181 -6.556 -5.902 1.00 51.12 O ATOM 566 CB PRO A 35 -16.906 -6.287 -3.151 1.00 71.53 C ATOM 567 CG PRO A 35 -18.383 -6.253 -2.959 1.00 70.24 C ATOM 568 CD PRO A 35 -18.772 -4.801 -2.998 1.00 30.24 C ATOM 0 HA PRO A 35 -15.641 -4.634 -3.890 1.00 74.02 H new ATOM 0 HB2 PRO A 35 -16.586 -7.230 -3.595 1.00 71.53 H new ATOM 0 HB3 PRO A 35 -16.381 -6.188 -2.201 1.00 71.53 H new ATOM 0 HG2 PRO A 35 -18.891 -6.814 -3.743 1.00 70.24 H new ATOM 0 HG3 PRO A 35 -18.664 -6.707 -2.009 1.00 70.24 H new ATOM 0 HD2 PRO A 35 -19.762 -4.662 -3.433 1.00 30.24 H new ATOM 0 HD3 PRO A 35 -18.798 -4.365 -1.999 1.00 30.24 H new ATOM 576 N ASP A 36 -15.782 -4.850 -6.343 1.00 71.12 N ATOM 577 CA ASP A 36 -15.639 -5.188 -7.755 1.00 21.24 C ATOM 578 C ASP A 36 -14.169 -5.363 -8.125 1.00 75.01 C ATOM 579 O ASP A 36 -13.779 -5.144 -9.271 1.00 43.11 O ATOM 580 CB ASP A 36 -16.272 -4.104 -8.628 1.00 13.24 C ATOM 581 CG ASP A 36 -17.683 -3.759 -8.191 1.00 24.33 C ATOM 582 OD1 ASP A 36 -18.171 -2.672 -8.564 1.00 3.22 O ATOM 583 OD2 ASP A 36 -18.299 -4.577 -7.477 1.00 24.55 O ATOM 0 H ASP A 36 -15.251 -4.030 -6.050 1.00 71.12 H new ATOM 0 HA ASP A 36 -16.155 -6.132 -7.931 1.00 21.24 H new ATOM 0 HB2 ASP A 36 -15.654 -3.207 -8.593 1.00 13.24 H new ATOM 0 HB3 ASP A 36 -16.288 -4.440 -9.665 1.00 13.24 H new ATOM 588 N GLU A 37 -13.361 -5.758 -7.147 1.00 4.12 N ATOM 589 CA GLU A 37 -11.934 -5.960 -7.371 1.00 1.12 C ATOM 590 C GLU A 37 -11.184 -4.631 -7.333 1.00 21.50 C ATOM 591 O GLU A 37 -10.042 -4.564 -6.880 1.00 22.23 O ATOM 592 CB GLU A 37 -11.699 -6.653 -8.715 1.00 11.43 C ATOM 593 CG GLU A 37 -10.549 -7.645 -8.695 1.00 63.02 C ATOM 594 CD GLU A 37 -10.012 -7.943 -10.082 1.00 22.24 C ATOM 595 OE1 GLU A 37 -9.304 -8.961 -10.237 1.00 15.20 O ATOM 596 OE2 GLU A 37 -10.298 -7.160 -11.011 1.00 13.34 O ATOM 0 H GLU A 37 -13.669 -5.944 -6.193 1.00 4.12 H new ATOM 0 HA GLU A 37 -11.553 -6.595 -6.572 1.00 1.12 H new ATOM 0 HB2 GLU A 37 -12.611 -7.172 -9.011 1.00 11.43 H new ATOM 0 HB3 GLU A 37 -11.502 -5.897 -9.475 1.00 11.43 H new ATOM 0 HG2 GLU A 37 -9.744 -7.250 -8.075 1.00 63.02 H new ATOM 0 HG3 GLU A 37 -10.883 -8.573 -8.231 1.00 63.02 H new ATOM 603 N ALA A 38 -11.835 -3.577 -7.813 1.00 71.22 N ATOM 604 CA ALA A 38 -11.231 -2.251 -7.833 1.00 55.43 C ATOM 605 C ALA A 38 -11.249 -1.618 -6.446 1.00 22.43 C ATOM 606 O ALA A 38 -10.747 -0.511 -6.250 1.00 24.14 O ATOM 607 CB ALA A 38 -11.953 -1.357 -8.831 1.00 73.44 C ATOM 0 H ALA A 38 -12.781 -3.616 -8.193 1.00 71.22 H new ATOM 0 HA ALA A 38 -10.191 -2.358 -8.142 1.00 55.43 H new ATOM 0 HB1 ALA A 38 -11.491 -0.370 -8.835 1.00 73.44 H new ATOM 0 HB2 ALA A 38 -11.884 -1.794 -9.827 1.00 73.44 H new ATOM 0 HB3 ALA A 38 -13.001 -1.266 -8.546 1.00 73.44 H new ATOM 613 N THR A 39 -11.831 -2.328 -5.484 1.00 62.41 N ATOM 614 CA THR A 39 -11.915 -1.836 -4.115 1.00 73.00 C ATOM 615 C THR A 39 -10.582 -1.990 -3.392 1.00 50.32 C ATOM 616 O THR A 39 -10.525 -2.510 -2.277 1.00 40.01 O ATOM 617 CB THR A 39 -13.007 -2.576 -3.318 1.00 45.33 C ATOM 618 OG1 THR A 39 -12.986 -3.971 -3.639 1.00 32.11 O ATOM 619 CG2 THR A 39 -14.382 -2.000 -3.622 1.00 23.44 C ATOM 0 H THR A 39 -12.251 -3.246 -5.628 1.00 62.41 H new ATOM 0 HA THR A 39 -12.172 -0.779 -4.175 1.00 73.00 H new ATOM 0 HB THR A 39 -12.803 -2.445 -2.255 1.00 45.33 H new ATOM 0 HG1 THR A 39 -13.566 -4.458 -3.018 1.00 32.11 H new ATOM 0 HG21 THR A 39 -15.137 -2.538 -3.048 1.00 23.44 H new ATOM 0 HG22 THR A 39 -14.403 -0.945 -3.350 1.00 23.44 H new ATOM 0 HG23 THR A 39 -14.593 -2.104 -4.686 1.00 23.44 H new ATOM 627 N LEU A 40 -9.511 -1.534 -4.033 1.00 12.13 N ATOM 628 CA LEU A 40 -8.177 -1.620 -3.450 1.00 23.02 C ATOM 629 C LEU A 40 -8.119 -0.891 -2.111 1.00 71.12 C ATOM 630 O LEU A 40 -9.144 -0.459 -1.584 1.00 20.45 O ATOM 631 CB LEU A 40 -7.141 -1.031 -4.409 1.00 63.30 C ATOM 632 CG LEU A 40 -7.518 0.293 -5.074 1.00 2.13 C ATOM 633 CD1 LEU A 40 -7.283 1.455 -4.121 1.00 31.45 C ATOM 634 CD2 LEU A 40 -6.728 0.488 -6.360 1.00 11.22 C ATOM 0 H LEU A 40 -9.541 -1.101 -4.956 1.00 12.13 H new ATOM 0 HA LEU A 40 -7.949 -2.672 -3.280 1.00 23.02 H new ATOM 0 HB2 LEU A 40 -6.209 -0.887 -3.862 1.00 63.30 H new ATOM 0 HB3 LEU A 40 -6.942 -1.764 -5.191 1.00 63.30 H new ATOM 0 HG LEU A 40 -8.579 0.263 -5.323 1.00 2.13 H new ATOM 0 HD11 LEU A 40 -7.557 2.389 -4.612 1.00 31.45 H new ATOM 0 HD12 LEU A 40 -7.893 1.322 -3.228 1.00 31.45 H new ATOM 0 HD13 LEU A 40 -6.230 1.488 -3.840 1.00 31.45 H new ATOM 0 HD21 LEU A 40 -7.009 1.435 -6.820 1.00 11.22 H new ATOM 0 HD22 LEU A 40 -5.662 0.497 -6.134 1.00 11.22 H new ATOM 0 HD23 LEU A 40 -6.946 -0.328 -7.049 1.00 11.22 H new ATOM 646 N SER A 41 -6.913 -0.756 -1.568 1.00 74.01 N ATOM 647 CA SER A 41 -6.722 -0.080 -0.290 1.00 60.41 C ATOM 648 C SER A 41 -6.446 1.406 -0.497 1.00 60.32 C ATOM 649 O SER A 41 -6.150 1.860 -1.603 1.00 14.34 O ATOM 650 CB SER A 41 -5.568 -0.722 0.482 1.00 21.33 C ATOM 651 OG SER A 41 -5.142 -1.921 -0.141 1.00 23.50 O ATOM 0 H SER A 41 -6.054 -1.106 -1.993 1.00 74.01 H new ATOM 0 HA SER A 41 -7.640 -0.184 0.289 1.00 60.41 H new ATOM 0 HB2 SER A 41 -4.733 -0.023 0.542 1.00 21.33 H new ATOM 0 HB3 SER A 41 -5.882 -0.932 1.504 1.00 21.33 H new ATOM 0 HG SER A 41 -4.403 -2.311 0.371 1.00 23.50 H new ATOM 657 N PRO A 42 -6.544 2.182 0.592 1.00 55.30 N ATOM 658 CA PRO A 42 -6.309 3.629 0.557 1.00 70.23 C ATOM 659 C PRO A 42 -4.841 3.972 0.325 1.00 75.33 C ATOM 660 O PRO A 42 -4.446 5.134 0.411 1.00 24.42 O ATOM 661 CB PRO A 42 -6.754 4.094 1.945 1.00 1.44 C ATOM 662 CG PRO A 42 -6.596 2.895 2.815 1.00 14.55 C ATOM 663 CD PRO A 42 -6.893 1.708 1.942 1.00 43.02 C ATOM 0 HA PRO A 42 -6.846 4.110 -0.261 1.00 70.23 H new ATOM 0 HB2 PRO A 42 -6.142 4.924 2.299 1.00 1.44 H new ATOM 0 HB3 PRO A 42 -7.787 4.442 1.934 1.00 1.44 H new ATOM 0 HG2 PRO A 42 -5.586 2.838 3.221 1.00 14.55 H new ATOM 0 HG3 PRO A 42 -7.279 2.936 3.664 1.00 14.55 H new ATOM 0 HD2 PRO A 42 -6.300 0.840 2.229 1.00 43.02 H new ATOM 0 HD3 PRO A 42 -7.941 1.414 2.006 1.00 43.02 H new ATOM 671 N GLU A 43 -4.040 2.953 0.029 1.00 1.24 N ATOM 672 CA GLU A 43 -2.616 3.149 -0.215 1.00 24.34 C ATOM 673 C GLU A 43 -2.385 4.284 -1.208 1.00 4.14 C ATOM 674 O GLU A 43 -1.494 5.113 -1.022 1.00 60.14 O ATOM 675 CB GLU A 43 -1.984 1.859 -0.742 1.00 71.32 C ATOM 676 CG GLU A 43 -1.973 1.762 -2.259 1.00 2.45 C ATOM 677 CD GLU A 43 -1.525 0.401 -2.753 1.00 61.23 C ATOM 678 OE1 GLU A 43 -1.195 -0.458 -1.908 1.00 54.23 O ATOM 679 OE2 GLU A 43 -1.503 0.194 -3.984 1.00 74.15 O ATOM 0 H GLU A 43 -4.353 1.985 -0.047 1.00 1.24 H new ATOM 0 HA GLU A 43 -2.145 3.416 0.731 1.00 24.34 H new ATOM 0 HB2 GLU A 43 -0.960 1.789 -0.374 1.00 71.32 H new ATOM 0 HB3 GLU A 43 -2.527 1.006 -0.336 1.00 71.32 H new ATOM 0 HG2 GLU A 43 -2.972 1.972 -2.640 1.00 2.45 H new ATOM 0 HG3 GLU A 43 -1.311 2.527 -2.663 1.00 2.45 H new ATOM 686 N MET A 44 -3.193 4.314 -2.262 1.00 32.11 N ATOM 687 CA MET A 44 -3.078 5.348 -3.284 1.00 64.52 C ATOM 688 C MET A 44 -4.009 6.517 -2.983 1.00 13.15 C ATOM 689 O MET A 44 -3.825 7.620 -3.497 1.00 44.21 O ATOM 690 CB MET A 44 -3.397 4.768 -4.664 1.00 11.43 C ATOM 691 CG MET A 44 -2.163 4.486 -5.505 1.00 40.41 C ATOM 692 SD MET A 44 -2.448 3.215 -6.752 1.00 1.32 S ATOM 693 CE MET A 44 -0.796 3.016 -7.416 1.00 33.03 C ATOM 0 H MET A 44 -3.935 3.634 -2.431 1.00 32.11 H new ATOM 0 HA MET A 44 -2.052 5.715 -3.280 1.00 64.52 H new ATOM 0 HB2 MET A 44 -3.960 3.843 -4.539 1.00 11.43 H new ATOM 0 HB3 MET A 44 -4.041 5.464 -5.201 1.00 11.43 H new ATOM 0 HG2 MET A 44 -1.844 5.406 -5.996 1.00 40.41 H new ATOM 0 HG3 MET A 44 -1.347 4.173 -4.853 1.00 40.41 H new ATOM 0 HE1 MET A 44 -0.844 2.458 -8.351 1.00 33.03 H new ATOM 0 HE2 MET A 44 -0.358 3.997 -7.601 1.00 33.03 H new ATOM 0 HE3 MET A 44 -0.179 2.472 -6.700 1.00 33.03 H new ATOM 703 N LYS A 45 -5.011 6.269 -2.146 1.00 12.02 N ATOM 704 CA LYS A 45 -5.972 7.301 -1.774 1.00 42.13 C ATOM 705 C LYS A 45 -5.291 8.425 -0.999 1.00 61.34 C ATOM 706 O LYS A 45 -5.811 9.537 -0.916 1.00 60.34 O ATOM 707 CB LYS A 45 -7.100 6.698 -0.934 1.00 3.22 C ATOM 708 CG LYS A 45 -8.119 7.720 -0.462 1.00 13.25 C ATOM 709 CD LYS A 45 -9.538 7.282 -0.782 1.00 72.52 C ATOM 710 CE LYS A 45 -9.976 6.122 0.099 1.00 21.14 C ATOM 711 NZ LYS A 45 -9.921 4.822 -0.626 1.00 14.42 N ATOM 0 H LYS A 45 -5.179 5.361 -1.712 1.00 12.02 H new ATOM 0 HA LYS A 45 -6.392 7.718 -2.689 1.00 42.13 H new ATOM 0 HB2 LYS A 45 -7.609 5.933 -1.520 1.00 3.22 H new ATOM 0 HB3 LYS A 45 -6.669 6.199 -0.066 1.00 3.22 H new ATOM 0 HG2 LYS A 45 -8.017 7.867 0.613 1.00 13.25 H new ATOM 0 HG3 LYS A 45 -7.918 8.681 -0.936 1.00 13.25 H new ATOM 0 HD2 LYS A 45 -10.219 8.122 -0.644 1.00 72.52 H new ATOM 0 HD3 LYS A 45 -9.602 6.989 -1.830 1.00 72.52 H new ATOM 0 HE2 LYS A 45 -9.336 6.074 0.980 1.00 21.14 H new ATOM 0 HE3 LYS A 45 -10.992 6.298 0.452 1.00 21.14 H new ATOM 0 HZ1 LYS A 45 -10.525 4.128 -0.141 1.00 14.42 H new ATOM 0 HZ2 LYS A 45 -10.259 4.953 -1.601 1.00 14.42 H new ATOM 0 HZ3 LYS A 45 -8.941 4.476 -0.644 1.00 14.42 H new ATOM 725 N GLU A 46 -4.125 8.126 -0.435 1.00 44.33 N ATOM 726 CA GLU A 46 -3.373 9.113 0.332 1.00 73.20 C ATOM 727 C GLU A 46 -2.519 9.982 -0.587 1.00 75.52 C ATOM 728 O GLU A 46 -2.340 11.175 -0.342 1.00 20.12 O ATOM 729 CB GLU A 46 -2.485 8.418 1.366 1.00 3.30 C ATOM 730 CG GLU A 46 -2.362 9.182 2.674 1.00 34.52 C ATOM 731 CD GLU A 46 -1.133 8.784 3.469 1.00 53.55 C ATOM 732 OE1 GLU A 46 -0.572 7.704 3.191 1.00 20.21 O ATOM 733 OE2 GLU A 46 -0.733 9.553 4.367 1.00 10.42 O ATOM 0 H GLU A 46 -3.681 7.210 -0.494 1.00 44.33 H new ATOM 0 HA GLU A 46 -4.087 9.755 0.849 1.00 73.20 H new ATOM 0 HB2 GLU A 46 -2.888 7.426 1.571 1.00 3.30 H new ATOM 0 HB3 GLU A 46 -1.491 8.277 0.942 1.00 3.30 H new ATOM 0 HG2 GLU A 46 -2.324 10.251 2.464 1.00 34.52 H new ATOM 0 HG3 GLU A 46 -3.253 9.007 3.278 1.00 34.52 H new ATOM 740 N HIS A 47 -1.994 9.374 -1.647 1.00 35.05 N ATOM 741 CA HIS A 47 -1.159 10.091 -2.603 1.00 51.22 C ATOM 742 C HIS A 47 -2.016 10.802 -3.646 1.00 43.44 C ATOM 743 O HIS A 47 -1.680 11.897 -4.098 1.00 44.24 O ATOM 744 CB HIS A 47 -0.192 9.127 -3.291 1.00 53.24 C ATOM 745 CG HIS A 47 1.136 9.739 -3.613 1.00 43.21 C ATOM 746 ND1 HIS A 47 1.336 11.101 -3.701 1.00 61.32 N ATOM 747 CD2 HIS A 47 2.336 9.167 -3.867 1.00 5.14 C ATOM 748 CE1 HIS A 47 2.601 11.340 -3.997 1.00 24.52 C ATOM 749 NE2 HIS A 47 3.230 10.183 -4.102 1.00 61.22 N ATOM 0 H HIS A 47 -2.132 8.387 -1.865 1.00 35.05 H new ATOM 0 HA HIS A 47 -0.586 10.840 -2.057 1.00 51.22 H new ATOM 0 HB2 HIS A 47 -0.037 8.260 -2.648 1.00 53.24 H new ATOM 0 HB3 HIS A 47 -0.648 8.763 -4.212 1.00 53.24 H new ATOM 0 HD1 HIS A 47 0.619 11.813 -3.560 1.00 61.32 H new ATOM 0 HD2 HIS A 47 2.551 8.109 -3.882 1.00 5.14 H new ATOM 0 HE1 HIS A 47 3.045 12.315 -4.130 1.00 24.52 H new ATOM 757 N TYR A 48 -3.123 10.173 -4.025 1.00 24.14 N ATOM 758 CA TYR A 48 -4.026 10.744 -5.017 1.00 25.12 C ATOM 759 C TYR A 48 -4.460 12.149 -4.613 1.00 51.51 C ATOM 760 O TYR A 48 -4.817 12.967 -5.460 1.00 55.22 O ATOM 761 CB TYR A 48 -5.254 9.849 -5.194 1.00 3.50 C ATOM 762 CG TYR A 48 -5.009 8.656 -6.089 1.00 74.24 C ATOM 763 CD1 TYR A 48 -6.068 7.987 -6.692 1.00 63.02 C ATOM 764 CD2 TYR A 48 -3.721 8.196 -6.332 1.00 1.23 C ATOM 765 CE1 TYR A 48 -5.850 6.895 -7.511 1.00 4.55 C ATOM 766 CE2 TYR A 48 -3.493 7.107 -7.150 1.00 33.43 C ATOM 767 CZ TYR A 48 -4.561 6.459 -7.737 1.00 3.54 C ATOM 768 OH TYR A 48 -4.338 5.373 -8.551 1.00 32.31 O ATOM 0 H TYR A 48 -3.417 9.267 -3.660 1.00 24.14 H new ATOM 0 HA TYR A 48 -3.491 10.807 -5.965 1.00 25.12 H new ATOM 0 HB2 TYR A 48 -5.581 9.497 -4.215 1.00 3.50 H new ATOM 0 HB3 TYR A 48 -6.069 10.442 -5.608 1.00 3.50 H new ATOM 0 HD1 TYR A 48 -7.078 8.326 -6.518 1.00 63.02 H new ATOM 0 HD2 TYR A 48 -2.883 8.699 -5.873 1.00 1.23 H new ATOM 0 HE1 TYR A 48 -6.684 6.386 -7.971 1.00 4.55 H new ATOM 0 HE2 TYR A 48 -2.485 6.764 -7.329 1.00 33.43 H new ATOM 0 HH TYR A 48 -3.804 4.707 -8.069 1.00 32.31 H new ATOM 778 N GLU A 49 -4.425 12.422 -3.312 1.00 75.23 N ATOM 779 CA GLU A 49 -4.816 13.728 -2.795 1.00 42.24 C ATOM 780 C GLU A 49 -3.883 14.819 -3.314 1.00 11.23 C ATOM 781 O GLU A 49 -4.219 16.003 -3.288 1.00 2.54 O ATOM 782 CB GLU A 49 -4.808 13.719 -1.265 1.00 45.34 C ATOM 783 CG GLU A 49 -6.072 13.141 -0.653 1.00 71.32 C ATOM 784 CD GLU A 49 -7.125 14.198 -0.381 1.00 23.53 C ATOM 785 OE1 GLU A 49 -8.324 13.900 -0.561 1.00 32.42 O ATOM 786 OE2 GLU A 49 -6.750 15.322 0.012 1.00 23.22 O ATOM 0 H GLU A 49 -4.130 11.756 -2.598 1.00 75.23 H new ATOM 0 HA GLU A 49 -5.826 13.941 -3.144 1.00 42.24 H new ATOM 0 HB2 GLU A 49 -3.950 13.143 -0.918 1.00 45.34 H new ATOM 0 HB3 GLU A 49 -4.674 14.739 -0.905 1.00 45.34 H new ATOM 0 HG2 GLU A 49 -6.484 12.387 -1.324 1.00 71.32 H new ATOM 0 HG3 GLU A 49 -5.821 12.635 0.279 1.00 71.32 H new ATOM 793 N LYS A 50 -2.709 14.411 -3.784 1.00 52.40 N ATOM 794 CA LYS A 50 -1.727 15.352 -4.309 1.00 65.34 C ATOM 795 C LYS A 50 -2.027 15.697 -5.764 1.00 73.35 C ATOM 796 O LYS A 50 -1.594 16.733 -6.270 1.00 30.54 O ATOM 797 CB LYS A 50 -0.317 14.766 -4.194 1.00 13.22 C ATOM 798 CG LYS A 50 0.621 15.604 -3.343 1.00 24.34 C ATOM 799 CD LYS A 50 2.073 15.389 -3.738 1.00 11.54 C ATOM 800 CE LYS A 50 2.931 16.594 -3.382 1.00 52.11 C ATOM 801 NZ LYS A 50 2.766 16.991 -1.957 1.00 15.55 N ATOM 0 H LYS A 50 -2.415 13.435 -3.812 1.00 52.40 H new ATOM 0 HA LYS A 50 -1.785 16.266 -3.718 1.00 65.34 H new ATOM 0 HB2 LYS A 50 -0.382 13.764 -3.769 1.00 13.22 H new ATOM 0 HB3 LYS A 50 0.107 14.662 -5.193 1.00 13.22 H new ATOM 0 HG2 LYS A 50 0.366 16.658 -3.449 1.00 24.34 H new ATOM 0 HG3 LYS A 50 0.487 15.348 -2.292 1.00 24.34 H new ATOM 0 HD2 LYS A 50 2.461 14.503 -3.235 1.00 11.54 H new ATOM 0 HD3 LYS A 50 2.136 15.200 -4.810 1.00 11.54 H new ATOM 0 HE2 LYS A 50 3.979 16.364 -3.576 1.00 52.11 H new ATOM 0 HE3 LYS A 50 2.665 17.432 -4.026 1.00 52.11 H new ATOM 0 HZ1 LYS A 50 3.516 17.662 -1.695 1.00 15.55 H new ATOM 0 HZ2 LYS A 50 1.838 17.441 -1.827 1.00 15.55 H new ATOM 0 HZ3 LYS A 50 2.829 16.147 -1.352 1.00 15.55 H new ATOM 815 N PHE A 51 -2.773 14.823 -6.433 1.00 41.10 N ATOM 816 CA PHE A 51 -3.132 15.036 -7.830 1.00 71.02 C ATOM 817 C PHE A 51 -4.288 16.025 -7.950 1.00 42.01 C ATOM 818 O PHE A 51 -4.207 17.001 -8.695 1.00 15.22 O ATOM 819 CB PHE A 51 -3.512 13.708 -8.489 1.00 43.32 C ATOM 820 CG PHE A 51 -3.000 13.568 -9.894 1.00 43.43 C ATOM 821 CD1 PHE A 51 -3.792 13.925 -10.973 1.00 73.13 C ATOM 822 CD2 PHE A 51 -1.726 13.080 -10.136 1.00 62.10 C ATOM 823 CE1 PHE A 51 -3.324 13.798 -12.268 1.00 31.24 C ATOM 824 CE2 PHE A 51 -1.252 12.951 -11.428 1.00 10.11 C ATOM 825 CZ PHE A 51 -2.053 13.309 -12.495 1.00 45.21 C ATOM 0 H PHE A 51 -3.140 13.961 -6.030 1.00 41.10 H new ATOM 0 HA PHE A 51 -2.265 15.453 -8.342 1.00 71.02 H new ATOM 0 HB2 PHE A 51 -3.123 12.888 -7.886 1.00 43.32 H new ATOM 0 HB3 PHE A 51 -4.598 13.612 -8.495 1.00 43.32 H new ATOM 0 HD1 PHE A 51 -4.787 14.307 -10.801 1.00 73.13 H new ATOM 0 HD2 PHE A 51 -1.096 12.797 -9.306 1.00 62.10 H new ATOM 0 HE1 PHE A 51 -3.952 14.081 -13.100 1.00 31.24 H new ATOM 0 HE2 PHE A 51 -0.256 12.571 -11.603 1.00 10.11 H new ATOM 0 HZ PHE A 51 -1.685 13.207 -13.505 1.00 45.21 H new ATOM 835 N GLU A 52 -5.362 15.763 -7.212 1.00 2.45 N ATOM 836 CA GLU A 52 -6.535 16.630 -7.236 1.00 65.33 C ATOM 837 C GLU A 52 -6.141 18.085 -7.000 1.00 31.04 C ATOM 838 O GLU A 52 -6.617 18.989 -7.687 1.00 63.33 O ATOM 839 CB GLU A 52 -7.547 16.185 -6.179 1.00 1.14 C ATOM 840 CG GLU A 52 -6.907 15.709 -4.885 1.00 43.14 C ATOM 841 CD GLU A 52 -7.645 16.198 -3.654 1.00 73.45 C ATOM 842 OE1 GLU A 52 -7.099 17.065 -2.941 1.00 53.32 O ATOM 843 OE2 GLU A 52 -8.768 15.713 -3.404 1.00 74.43 O ATOM 0 H GLU A 52 -5.444 14.958 -6.591 1.00 2.45 H new ATOM 0 HA GLU A 52 -6.993 16.552 -8.222 1.00 65.33 H new ATOM 0 HB2 GLU A 52 -8.218 17.015 -5.959 1.00 1.14 H new ATOM 0 HB3 GLU A 52 -8.158 15.381 -6.589 1.00 1.14 H new ATOM 0 HG2 GLU A 52 -6.878 14.619 -4.878 1.00 43.14 H new ATOM 0 HG3 GLU A 52 -5.874 16.055 -4.846 1.00 43.14 H new ATOM 850 N LYS A 53 -5.269 18.304 -6.021 1.00 54.31 N ATOM 851 CA LYS A 53 -4.810 19.648 -5.692 1.00 41.41 C ATOM 852 C LYS A 53 -4.221 20.337 -6.919 1.00 4.43 C ATOM 853 O LYS A 53 -4.192 21.565 -6.998 1.00 45.12 O ATOM 854 CB LYS A 53 -3.766 19.593 -4.574 1.00 52.52 C ATOM 855 CG LYS A 53 -4.340 19.193 -3.226 1.00 4.32 C ATOM 856 CD LYS A 53 -3.243 18.834 -2.238 1.00 4.43 C ATOM 857 CE LYS A 53 -3.819 18.346 -0.918 1.00 33.32 C ATOM 858 NZ LYS A 53 -2.858 18.521 0.206 1.00 14.02 N ATOM 0 H LYS A 53 -4.866 17.567 -5.442 1.00 54.31 H new ATOM 0 HA LYS A 53 -5.669 20.225 -5.350 1.00 41.41 H new ATOM 0 HB2 LYS A 53 -2.985 18.885 -4.852 1.00 52.52 H new ATOM 0 HB3 LYS A 53 -3.292 20.570 -4.482 1.00 52.52 H new ATOM 0 HG2 LYS A 53 -4.937 20.012 -2.826 1.00 4.32 H new ATOM 0 HG3 LYS A 53 -5.010 18.342 -3.352 1.00 4.32 H new ATOM 0 HD2 LYS A 53 -2.605 18.060 -2.666 1.00 4.43 H new ATOM 0 HD3 LYS A 53 -2.612 19.705 -2.061 1.00 4.43 H new ATOM 0 HE2 LYS A 53 -4.737 18.891 -0.699 1.00 33.32 H new ATOM 0 HE3 LYS A 53 -4.087 17.293 -1.006 1.00 33.32 H new ATOM 0 HZ1 LYS A 53 -3.289 18.176 1.088 1.00 14.02 H new ATOM 0 HZ2 LYS A 53 -1.992 17.980 0.009 1.00 14.02 H new ATOM 0 HZ3 LYS A 53 -2.622 19.529 0.307 1.00 14.02 H new ATOM 872 N MET A 54 -3.754 19.539 -7.873 1.00 45.10 N ATOM 873 CA MET A 54 -3.168 20.073 -9.097 1.00 4.41 C ATOM 874 C MET A 54 -4.243 20.326 -10.149 1.00 2.31 C ATOM 875 O MET A 54 -4.118 21.234 -10.972 1.00 23.04 O ATOM 876 CB MET A 54 -2.116 19.109 -9.648 1.00 22.54 C ATOM 877 CG MET A 54 -0.692 19.628 -9.527 1.00 53.13 C ATOM 878 SD MET A 54 0.542 18.337 -9.775 1.00 34.11 S ATOM 879 CE MET A 54 1.355 18.336 -8.179 1.00 64.23 C ATOM 0 H MET A 54 -3.770 18.520 -7.822 1.00 45.10 H new ATOM 0 HA MET A 54 -2.689 21.022 -8.856 1.00 4.41 H new ATOM 0 HB2 MET A 54 -2.194 18.159 -9.119 1.00 22.54 H new ATOM 0 HB3 MET A 54 -2.333 18.909 -10.697 1.00 22.54 H new ATOM 0 HG2 MET A 54 -0.535 20.420 -10.259 1.00 53.13 H new ATOM 0 HG3 MET A 54 -0.554 20.072 -8.541 1.00 53.13 H new ATOM 0 HE1 MET A 54 2.147 17.587 -8.174 1.00 64.23 H new ATOM 0 HE2 MET A 54 1.785 19.319 -7.989 1.00 64.23 H new ATOM 0 HE3 MET A 54 0.629 18.101 -7.401 1.00 64.23 H new ATOM 889 N ILE A 55 -5.297 19.519 -10.117 1.00 35.24 N ATOM 890 CA ILE A 55 -6.394 19.657 -11.067 1.00 61.31 C ATOM 891 C ILE A 55 -6.910 21.091 -11.107 1.00 11.04 C ATOM 892 O ILE A 55 -6.845 21.756 -12.140 1.00 64.32 O ATOM 893 CB ILE A 55 -7.561 18.712 -10.722 1.00 4.54 C ATOM 894 CG1 ILE A 55 -7.097 17.255 -10.770 1.00 54.02 C ATOM 895 CG2 ILE A 55 -8.724 18.936 -11.676 1.00 42.43 C ATOM 896 CD1 ILE A 55 -8.199 16.261 -10.478 1.00 73.33 C ATOM 0 H ILE A 55 -5.415 18.762 -9.443 1.00 35.24 H new ATOM 0 HA ILE A 55 -5.998 19.389 -12.046 1.00 61.31 H new ATOM 0 HB ILE A 55 -7.900 18.932 -9.710 1.00 4.54 H new ATOM 0 HG12 ILE A 55 -6.682 17.046 -11.756 1.00 54.02 H new ATOM 0 HG13 ILE A 55 -6.291 17.115 -10.049 1.00 54.02 H new ATOM 0 HG21 ILE A 55 -9.540 18.261 -11.419 1.00 42.43 H new ATOM 0 HG22 ILE A 55 -9.067 19.967 -11.596 1.00 42.43 H new ATOM 0 HG23 ILE A 55 -8.399 18.740 -12.698 1.00 42.43 H new ATOM 0 HD11 ILE A 55 -7.799 15.248 -10.529 1.00 73.33 H new ATOM 0 HD12 ILE A 55 -8.598 16.443 -9.480 1.00 73.33 H new ATOM 0 HD13 ILE A 55 -8.995 16.374 -11.214 1.00 73.33 H new ATOM 908 N GLN A 56 -7.421 21.562 -9.974 1.00 34.54 N ATOM 909 CA GLN A 56 -7.948 22.918 -9.879 1.00 3.01 C ATOM 910 C GLN A 56 -6.826 23.946 -9.984 1.00 61.24 C ATOM 911 O GLN A 56 -7.076 25.131 -10.203 1.00 71.52 O ATOM 912 CB GLN A 56 -8.703 23.104 -8.562 1.00 33.31 C ATOM 913 CG GLN A 56 -10.211 23.192 -8.733 1.00 33.11 C ATOM 914 CD GLN A 56 -10.940 22.022 -8.101 1.00 64.01 C ATOM 915 OE1 GLN A 56 -11.702 21.319 -8.765 1.00 14.22 O ATOM 916 NE2 GLN A 56 -10.708 21.807 -6.812 1.00 23.55 N ATOM 0 H GLN A 56 -7.481 21.025 -9.109 1.00 34.54 H new ATOM 0 HA GLN A 56 -8.637 23.072 -10.709 1.00 3.01 H new ATOM 0 HB2 GLN A 56 -8.469 22.272 -7.898 1.00 33.31 H new ATOM 0 HB3 GLN A 56 -8.347 24.011 -8.074 1.00 33.31 H new ATOM 0 HG2 GLN A 56 -10.569 24.121 -8.289 1.00 33.11 H new ATOM 0 HG3 GLN A 56 -10.450 23.233 -9.796 1.00 33.11 H new ATOM 0 HE21 GLN A 56 -10.068 22.415 -6.301 1.00 23.55 H new ATOM 0 HE22 GLN A 56 -11.169 21.034 -6.333 1.00 23.55 H new ATOM 925 N GLU A 57 -5.589 23.483 -9.827 1.00 55.30 N ATOM 926 CA GLU A 57 -4.430 24.364 -9.904 1.00 22.04 C ATOM 927 C GLU A 57 -4.118 24.728 -11.352 1.00 52.53 C ATOM 928 O GLU A 57 -3.743 25.863 -11.652 1.00 72.51 O ATOM 929 CB GLU A 57 -3.212 23.697 -9.261 1.00 2.12 C ATOM 930 CG GLU A 57 -2.512 24.570 -8.232 1.00 74.31 C ATOM 931 CD GLU A 57 -1.036 24.751 -8.528 1.00 32.01 C ATOM 932 OE1 GLU A 57 -0.413 23.797 -9.039 1.00 23.02 O ATOM 933 OE2 GLU A 57 -0.505 25.846 -8.249 1.00 24.35 O ATOM 0 H GLU A 57 -5.365 22.505 -9.646 1.00 55.30 H new ATOM 0 HA GLU A 57 -4.665 25.279 -9.360 1.00 22.04 H new ATOM 0 HB2 GLU A 57 -3.526 22.769 -8.784 1.00 2.12 H new ATOM 0 HB3 GLU A 57 -2.500 23.429 -10.042 1.00 2.12 H new ATOM 0 HG2 GLU A 57 -2.995 25.547 -8.201 1.00 74.31 H new ATOM 0 HG3 GLU A 57 -2.629 24.125 -7.244 1.00 74.31 H new ATOM 940 N HIS A 58 -4.276 23.758 -12.247 1.00 44.55 N ATOM 941 CA HIS A 58 -4.011 23.976 -13.665 1.00 53.33 C ATOM 942 C HIS A 58 -4.169 22.679 -14.453 1.00 13.20 C ATOM 943 O HIS A 58 -4.550 22.693 -15.624 1.00 51.41 O ATOM 944 CB HIS A 58 -2.603 24.538 -13.863 1.00 11.22 C ATOM 945 CG HIS A 58 -2.586 25.963 -14.325 1.00 70.32 C ATOM 946 ND1 HIS A 58 -1.739 26.915 -13.799 1.00 20.24 N ATOM 947 CD2 HIS A 58 -3.318 26.595 -15.272 1.00 63.24 C ATOM 948 CE1 HIS A 58 -1.952 28.071 -14.401 1.00 4.34 C ATOM 949 NE2 HIS A 58 -2.905 27.904 -15.300 1.00 4.13 N ATOM 0 H HIS A 58 -4.586 22.814 -12.016 1.00 44.55 H new ATOM 0 HA HIS A 58 -4.738 24.698 -14.038 1.00 53.33 H new ATOM 0 HB2 HIS A 58 -2.055 24.463 -12.924 1.00 11.22 H new ATOM 0 HB3 HIS A 58 -2.074 23.922 -14.591 1.00 11.22 H new ATOM 0 HD2 HIS A 58 -4.084 26.152 -15.891 1.00 63.24 H new ATOM 0 HE1 HIS A 58 -1.435 28.996 -14.193 1.00 4.34 H new ATOM 0 HE2 HIS A 58 -3.274 28.629 -15.915 1.00 4.13 H new ATOM 957 N THR A 59 -3.873 21.558 -13.803 1.00 35.21 N ATOM 958 CA THR A 59 -3.981 20.253 -14.443 1.00 23.35 C ATOM 959 C THR A 59 -5.311 20.105 -15.171 1.00 53.25 C ATOM 960 O THR A 59 -5.390 19.457 -16.215 1.00 44.34 O ATOM 961 CB THR A 59 -3.841 19.112 -13.417 1.00 64.54 C ATOM 962 OG1 THR A 59 -2.483 18.660 -13.370 1.00 23.41 O ATOM 963 CG2 THR A 59 -4.755 17.949 -13.773 1.00 50.14 C ATOM 0 H THR A 59 -3.557 21.528 -12.834 1.00 35.21 H new ATOM 0 HA THR A 59 -3.167 20.187 -15.164 1.00 23.35 H new ATOM 0 HB THR A 59 -4.131 19.495 -12.439 1.00 64.54 H new ATOM 0 HG1 THR A 59 -2.402 17.936 -12.715 1.00 23.41 H new ATOM 0 HG21 THR A 59 -4.639 17.156 -13.035 1.00 50.14 H new ATOM 0 HG22 THR A 59 -5.791 18.289 -13.780 1.00 50.14 H new ATOM 0 HG23 THR A 59 -4.491 17.568 -14.760 1.00 50.14 H new ATOM 971 N ASP A 60 -6.355 20.710 -14.616 1.00 11.43 N ATOM 972 CA ASP A 60 -7.683 20.648 -15.214 1.00 73.25 C ATOM 973 C ASP A 60 -7.660 21.178 -16.645 1.00 12.24 C ATOM 974 O ASP A 60 -8.360 20.667 -17.519 1.00 42.14 O ATOM 975 CB ASP A 60 -8.682 21.448 -14.377 1.00 30.23 C ATOM 976 CG ASP A 60 -10.087 21.393 -14.943 1.00 13.21 C ATOM 977 OD1 ASP A 60 -10.680 22.470 -15.166 1.00 64.04 O ATOM 978 OD2 ASP A 60 -10.595 20.274 -15.163 1.00 64.22 O ATOM 0 H ASP A 60 -6.307 21.250 -13.752 1.00 11.43 H new ATOM 0 HA ASP A 60 -7.995 19.604 -15.237 1.00 73.25 H new ATOM 0 HB2 ASP A 60 -8.689 21.062 -13.358 1.00 30.23 H new ATOM 0 HB3 ASP A 60 -8.356 22.487 -14.322 1.00 30.23 H new ATOM 983 N LYS A 61 -6.852 22.207 -16.876 1.00 10.25 N ATOM 984 CA LYS A 61 -6.737 22.808 -18.199 1.00 45.10 C ATOM 985 C LYS A 61 -5.756 22.026 -19.068 1.00 12.53 C ATOM 986 O LYS A 61 -5.878 22.004 -20.293 1.00 34.34 O ATOM 987 CB LYS A 61 -6.282 24.265 -18.083 1.00 21.35 C ATOM 988 CG LYS A 61 -6.078 24.947 -19.424 1.00 3.31 C ATOM 989 CD LYS A 61 -6.049 26.460 -19.281 1.00 62.23 C ATOM 990 CE LYS A 61 -7.453 27.039 -19.196 1.00 62.55 C ATOM 991 NZ LYS A 61 -7.434 28.503 -18.930 1.00 3.44 N ATOM 0 H LYS A 61 -6.267 22.642 -16.163 1.00 10.25 H new ATOM 0 HA LYS A 61 -7.719 22.777 -18.671 1.00 45.10 H new ATOM 0 HB2 LYS A 61 -7.022 24.823 -17.510 1.00 21.35 H new ATOM 0 HB3 LYS A 61 -5.349 24.302 -17.521 1.00 21.35 H new ATOM 0 HG2 LYS A 61 -5.144 24.605 -19.869 1.00 3.31 H new ATOM 0 HG3 LYS A 61 -6.879 24.660 -20.105 1.00 3.31 H new ATOM 0 HD2 LYS A 61 -5.488 26.731 -18.387 1.00 62.23 H new ATOM 0 HD3 LYS A 61 -5.525 26.897 -20.131 1.00 62.23 H new ATOM 0 HE2 LYS A 61 -7.982 26.846 -20.129 1.00 62.55 H new ATOM 0 HE3 LYS A 61 -8.007 26.533 -18.405 1.00 62.55 H new ATOM 0 HZ1 LYS A 61 -8.410 28.859 -18.879 1.00 3.44 H new ATOM 0 HZ2 LYS A 61 -6.951 28.686 -18.027 1.00 3.44 H new ATOM 0 HZ3 LYS A 61 -6.928 28.989 -19.698 1.00 3.44 H new ATOM 1005 N PHE A 62 -4.785 21.386 -18.426 1.00 63.20 N ATOM 1006 CA PHE A 62 -3.784 20.602 -19.141 1.00 4.45 C ATOM 1007 C PHE A 62 -4.374 19.285 -19.633 1.00 73.52 C ATOM 1008 O PHE A 62 -4.011 18.790 -20.699 1.00 73.34 O ATOM 1009 CB PHE A 62 -2.580 20.328 -18.237 1.00 45.40 C ATOM 1010 CG PHE A 62 -1.267 20.339 -18.967 1.00 52.35 C ATOM 1011 CD1 PHE A 62 -0.824 21.486 -19.607 1.00 14.15 C ATOM 1012 CD2 PHE A 62 -0.477 19.202 -19.015 1.00 44.45 C ATOM 1013 CE1 PHE A 62 0.383 21.500 -20.279 1.00 70.33 C ATOM 1014 CE2 PHE A 62 0.732 19.210 -19.686 1.00 52.13 C ATOM 1015 CZ PHE A 62 1.162 20.360 -20.320 1.00 75.30 C ATOM 0 H PHE A 62 -4.670 21.394 -17.413 1.00 63.20 H new ATOM 0 HA PHE A 62 -3.457 21.179 -20.006 1.00 4.45 H new ATOM 0 HB2 PHE A 62 -2.553 21.077 -17.445 1.00 45.40 H new ATOM 0 HB3 PHE A 62 -2.711 19.359 -17.755 1.00 45.40 H new ATOM 0 HD1 PHE A 62 -1.430 22.380 -19.580 1.00 14.15 H new ATOM 0 HD2 PHE A 62 -0.809 18.300 -18.523 1.00 44.45 H new ATOM 0 HE1 PHE A 62 0.717 22.401 -20.772 1.00 70.33 H new ATOM 0 HE2 PHE A 62 1.340 18.318 -19.715 1.00 52.13 H new ATOM 0 HZ PHE A 62 2.105 20.368 -20.846 1.00 75.30 H new ATOM 1025 N ASN A 63 -5.287 18.722 -18.848 1.00 22.43 N ATOM 1026 CA ASN A 63 -5.928 17.461 -19.203 1.00 23.43 C ATOM 1027 C ASN A 63 -6.567 17.546 -20.585 1.00 75.31 C ATOM 1028 O ASN A 63 -6.795 16.528 -21.240 1.00 41.42 O ATOM 1029 CB ASN A 63 -6.985 17.091 -18.161 1.00 14.03 C ATOM 1030 CG ASN A 63 -8.225 16.481 -18.786 1.00 41.24 C ATOM 1031 OD1 ASN A 63 -9.276 17.119 -18.858 1.00 5.01 O ATOM 1032 ND2 ASN A 63 -8.107 15.240 -19.243 1.00 34.21 N ATOM 0 H ASN A 63 -5.600 19.119 -17.962 1.00 22.43 H new ATOM 0 HA ASN A 63 -5.162 16.686 -19.224 1.00 23.43 H new ATOM 0 HB2 ASN A 63 -6.557 16.387 -17.448 1.00 14.03 H new ATOM 0 HB3 ASN A 63 -7.265 17.982 -17.600 1.00 14.03 H new ATOM 0 HD21 ASN A 63 -8.907 14.777 -19.675 1.00 34.21 H new ATOM 0 HD22 ASN A 63 -7.216 14.749 -19.162 1.00 34.21 H new ATOM 1039 N LYS A 64 -6.855 18.767 -21.024 1.00 33.54 N ATOM 1040 CA LYS A 64 -7.467 18.987 -22.329 1.00 31.14 C ATOM 1041 C LYS A 64 -6.404 19.090 -23.417 1.00 41.44 C ATOM 1042 O LYS A 64 -6.654 18.760 -24.577 1.00 44.40 O ATOM 1043 CB LYS A 64 -8.317 20.259 -22.308 1.00 42.51 C ATOM 1044 CG LYS A 64 -9.491 20.191 -21.347 1.00 53.24 C ATOM 1045 CD LYS A 64 -9.794 21.550 -20.739 1.00 50.42 C ATOM 1046 CE LYS A 64 -10.958 21.477 -19.763 1.00 53.42 C ATOM 1047 NZ LYS A 64 -11.325 22.821 -19.236 1.00 21.02 N ATOM 0 H LYS A 64 -6.674 19.620 -20.494 1.00 33.54 H new ATOM 0 HA LYS A 64 -8.108 18.134 -22.552 1.00 31.14 H new ATOM 0 HB2 LYS A 64 -7.684 21.104 -22.036 1.00 42.51 H new ATOM 0 HB3 LYS A 64 -8.692 20.452 -23.313 1.00 42.51 H new ATOM 0 HG2 LYS A 64 -10.372 19.822 -21.873 1.00 53.24 H new ATOM 0 HG3 LYS A 64 -9.272 19.477 -20.553 1.00 53.24 H new ATOM 0 HD2 LYS A 64 -8.909 21.925 -20.224 1.00 50.42 H new ATOM 0 HD3 LYS A 64 -10.027 22.261 -21.532 1.00 50.42 H new ATOM 0 HE2 LYS A 64 -11.821 21.034 -20.260 1.00 53.42 H new ATOM 0 HE3 LYS A 64 -10.696 20.821 -18.933 1.00 53.42 H new ATOM 0 HZ1 LYS A 64 -12.122 22.729 -18.574 1.00 21.02 H new ATOM 0 HZ2 LYS A 64 -10.509 23.234 -18.740 1.00 21.02 H new ATOM 0 HZ3 LYS A 64 -11.600 23.440 -20.025 1.00 21.02 H new ATOM 1061 N LYS A 65 -5.216 19.549 -23.037 1.00 15.32 N ATOM 1062 CA LYS A 65 -4.113 19.694 -23.979 1.00 75.24 C ATOM 1063 C LYS A 65 -3.363 18.376 -24.145 1.00 11.21 C ATOM 1064 O LYS A 65 -3.165 17.900 -25.262 1.00 50.44 O ATOM 1065 CB LYS A 65 -3.151 20.785 -23.506 1.00 42.31 C ATOM 1066 CG LYS A 65 -3.824 21.882 -22.699 1.00 22.43 C ATOM 1067 CD LYS A 65 -4.938 22.551 -23.487 1.00 25.24 C ATOM 1068 CE LYS A 65 -4.720 24.052 -23.593 1.00 15.40 C ATOM 1069 NZ LYS A 65 -5.977 24.771 -23.942 1.00 51.13 N ATOM 0 H LYS A 65 -4.993 19.827 -22.081 1.00 15.32 H new ATOM 0 HA LYS A 65 -4.528 19.980 -24.945 1.00 75.24 H new ATOM 0 HB2 LYS A 65 -2.367 20.329 -22.901 1.00 42.31 H new ATOM 0 HB3 LYS A 65 -2.665 21.230 -24.374 1.00 42.31 H new ATOM 0 HG2 LYS A 65 -4.230 21.461 -21.779 1.00 22.43 H new ATOM 0 HG3 LYS A 65 -3.084 22.628 -22.409 1.00 22.43 H new ATOM 0 HD2 LYS A 65 -4.989 22.118 -24.486 1.00 25.24 H new ATOM 0 HD3 LYS A 65 -5.895 22.354 -23.005 1.00 25.24 H new ATOM 0 HE2 LYS A 65 -4.336 24.431 -22.646 1.00 15.40 H new ATOM 0 HE3 LYS A 65 -3.962 24.257 -24.349 1.00 15.40 H new ATOM 0 HZ1 LYS A 65 -5.787 25.792 -24.005 1.00 51.13 H new ATOM 0 HZ2 LYS A 65 -6.331 24.427 -24.858 1.00 51.13 H new ATOM 0 HZ3 LYS A 65 -6.692 24.597 -23.207 1.00 51.13 H new ATOM 1083 N MET A 66 -2.949 17.791 -23.026 1.00 14.45 N ATOM 1084 CA MET A 66 -2.223 16.527 -23.048 1.00 32.13 C ATOM 1085 C MET A 66 -3.133 15.385 -23.489 1.00 52.00 C ATOM 1086 O MET A 66 -2.674 14.265 -23.716 1.00 52.50 O ATOM 1087 CB MET A 66 -1.640 16.225 -21.666 1.00 20.10 C ATOM 1088 CG MET A 66 -0.579 15.137 -21.679 1.00 21.51 C ATOM 1089 SD MET A 66 0.986 15.684 -20.970 1.00 21.20 S ATOM 1090 CE MET A 66 1.873 16.176 -22.446 1.00 60.54 C ATOM 0 H MET A 66 -3.104 18.172 -22.093 1.00 14.45 H new ATOM 0 HA MET A 66 -1.408 16.617 -23.766 1.00 32.13 H new ATOM 0 HB2 MET A 66 -1.208 17.138 -21.256 1.00 20.10 H new ATOM 0 HB3 MET A 66 -2.447 15.926 -20.997 1.00 20.10 H new ATOM 0 HG2 MET A 66 -0.943 14.273 -21.123 1.00 21.51 H new ATOM 0 HG3 MET A 66 -0.413 14.809 -22.705 1.00 21.51 H new ATOM 0 HE1 MET A 66 2.863 16.539 -22.171 1.00 60.54 H new ATOM 0 HE2 MET A 66 1.973 15.320 -23.113 1.00 60.54 H new ATOM 0 HE3 MET A 66 1.324 16.969 -22.953 1.00 60.54 H new ATOM 1100 N ARG A 67 -4.425 15.676 -23.608 1.00 64.32 N ATOM 1101 CA ARG A 67 -5.399 14.672 -24.021 1.00 4.42 C ATOM 1102 C ARG A 67 -4.961 13.989 -25.313 1.00 20.11 C ATOM 1103 O ARG A 67 -5.405 12.884 -25.622 1.00 72.05 O ATOM 1104 CB ARG A 67 -6.774 15.314 -24.211 1.00 51.34 C ATOM 1105 CG ARG A 67 -6.940 16.012 -25.551 1.00 73.15 C ATOM 1106 CD ARG A 67 -8.311 16.658 -25.677 1.00 73.52 C ATOM 1107 NE ARG A 67 -8.317 17.746 -26.651 1.00 63.33 N ATOM 1108 CZ ARG A 67 -9.346 18.567 -26.830 1.00 65.44 C ATOM 1109 NH1 ARG A 67 -10.446 18.424 -26.105 1.00 20.22 N ATOM 1110 NH2 ARG A 67 -9.275 19.533 -27.737 1.00 4.34 N ATOM 0 H ARG A 67 -4.821 16.598 -23.424 1.00 64.32 H new ATOM 0 HA ARG A 67 -5.463 13.918 -23.236 1.00 4.42 H new ATOM 0 HB2 ARG A 67 -7.541 14.546 -24.114 1.00 51.34 H new ATOM 0 HB3 ARG A 67 -6.942 16.036 -23.412 1.00 51.34 H new ATOM 0 HG2 ARG A 67 -6.167 16.772 -25.665 1.00 73.15 H new ATOM 0 HG3 ARG A 67 -6.800 15.292 -26.357 1.00 73.15 H new ATOM 0 HD2 ARG A 67 -9.041 15.904 -25.972 1.00 73.52 H new ATOM 0 HD3 ARG A 67 -8.622 17.040 -24.705 1.00 73.52 H new ATOM 0 HE ARG A 67 -7.485 17.883 -27.225 1.00 63.33 H new ATOM 0 HH11 ARG A 67 -10.504 17.682 -25.407 1.00 20.22 H new ATOM 0 HH12 ARG A 67 -11.235 19.056 -26.245 1.00 20.22 H new ATOM 0 HH21 ARG A 67 -8.430 19.645 -28.297 1.00 4.34 H new ATOM 0 HH22 ARG A 67 -10.065 20.163 -27.874 1.00 4.34 H new ATOM 1124 N GLU A 68 -4.088 14.655 -26.062 1.00 70.15 N ATOM 1125 CA GLU A 68 -3.592 14.111 -27.321 1.00 51.54 C ATOM 1126 C GLU A 68 -2.698 12.899 -27.076 1.00 51.42 C ATOM 1127 O GLU A 68 -2.695 11.948 -27.858 1.00 30.21 O ATOM 1128 CB GLU A 68 -2.819 15.181 -28.095 1.00 4.41 C ATOM 1129 CG GLU A 68 -3.451 15.545 -29.428 1.00 2.43 C ATOM 1130 CD GLU A 68 -2.475 16.220 -30.372 1.00 4.45 C ATOM 1131 OE1 GLU A 68 -2.910 17.098 -31.146 1.00 60.03 O ATOM 1132 OE2 GLU A 68 -1.276 15.871 -30.336 1.00 13.53 O ATOM 0 H GLU A 68 -3.710 15.571 -25.819 1.00 70.15 H new ATOM 0 HA GLU A 68 -4.450 13.793 -27.913 1.00 51.54 H new ATOM 0 HB2 GLU A 68 -2.744 16.078 -27.481 1.00 4.41 H new ATOM 0 HB3 GLU A 68 -1.802 14.828 -28.269 1.00 4.41 H new ATOM 0 HG2 GLU A 68 -3.841 14.643 -29.899 1.00 2.43 H new ATOM 0 HG3 GLU A 68 -4.300 16.207 -29.255 1.00 2.43 H new ATOM 1139 N HIS A 69 -1.940 12.942 -25.985 1.00 63.23 N ATOM 1140 CA HIS A 69 -1.041 11.847 -25.636 1.00 42.51 C ATOM 1141 C HIS A 69 -1.630 10.998 -24.514 1.00 64.41 C ATOM 1142 O HIS A 69 -0.968 10.104 -23.987 1.00 21.41 O ATOM 1143 CB HIS A 69 0.323 12.395 -25.215 1.00 64.30 C ATOM 1144 CG HIS A 69 1.062 13.079 -26.323 1.00 42.34 C ATOM 1145 ND1 HIS A 69 1.427 12.442 -27.491 1.00 1.33 N ATOM 1146 CD2 HIS A 69 1.503 14.354 -26.439 1.00 20.14 C ATOM 1147 CE1 HIS A 69 2.062 13.295 -28.275 1.00 70.10 C ATOM 1148 NE2 HIS A 69 2.121 14.462 -27.660 1.00 50.31 N ATOM 0 H HIS A 69 -1.930 13.722 -25.328 1.00 63.23 H new ATOM 0 HA HIS A 69 -0.915 11.217 -26.517 1.00 42.51 H new ATOM 0 HB2 HIS A 69 0.185 13.098 -24.393 1.00 64.30 H new ATOM 0 HB3 HIS A 69 0.933 11.576 -24.834 1.00 64.30 H new ATOM 0 HD2 HIS A 69 1.390 15.140 -25.707 1.00 20.14 H new ATOM 0 HE1 HIS A 69 2.464 13.075 -29.253 1.00 70.10 H new ATOM 0 HE2 HIS A 69 2.555 15.307 -28.032 1.00 50.31 H new ATOM 1156 N SER A 70 -2.877 11.284 -24.154 1.00 24.42 N ATOM 1157 CA SER A 70 -3.553 10.549 -23.091 1.00 61.32 C ATOM 1158 C SER A 70 -3.854 9.118 -23.527 1.00 54.01 C ATOM 1159 O SER A 70 -4.242 8.279 -22.714 1.00 43.43 O ATOM 1160 CB SER A 70 -4.850 11.258 -22.697 1.00 61.13 C ATOM 1161 OG SER A 70 -5.814 11.170 -23.732 1.00 43.34 O ATOM 0 H SER A 70 -3.440 12.019 -24.582 1.00 24.42 H new ATOM 0 HA SER A 70 -2.889 10.515 -22.227 1.00 61.32 H new ATOM 0 HB2 SER A 70 -5.249 10.813 -21.785 1.00 61.13 H new ATOM 0 HB3 SER A 70 -4.643 12.305 -22.476 1.00 61.13 H new ATOM 0 HG SER A 70 -5.626 11.849 -24.413 1.00 43.34 H new ATOM 1167 N GLU A 71 -3.673 8.848 -24.816 1.00 54.22 N ATOM 1168 CA GLU A 71 -3.927 7.519 -25.361 1.00 1.52 C ATOM 1169 C GLU A 71 -2.804 6.556 -24.989 1.00 65.22 C ATOM 1170 O GLU A 71 -3.045 5.381 -24.709 1.00 52.22 O ATOM 1171 CB GLU A 71 -4.073 7.587 -26.882 1.00 53.04 C ATOM 1172 CG GLU A 71 -5.506 7.787 -27.348 1.00 1.23 C ATOM 1173 CD GLU A 71 -5.686 9.062 -28.149 1.00 14.14 C ATOM 1174 OE1 GLU A 71 -6.575 9.865 -27.793 1.00 23.33 O ATOM 1175 OE2 GLU A 71 -4.940 9.257 -29.131 1.00 13.34 O ATOM 0 H GLU A 71 -3.352 9.531 -25.502 1.00 54.22 H new ATOM 0 HA GLU A 71 -4.857 7.149 -24.931 1.00 1.52 H new ATOM 0 HB2 GLU A 71 -3.459 8.404 -27.261 1.00 53.04 H new ATOM 0 HB3 GLU A 71 -3.683 6.667 -27.317 1.00 53.04 H new ATOM 0 HG2 GLU A 71 -5.809 6.935 -27.956 1.00 1.23 H new ATOM 0 HG3 GLU A 71 -6.166 7.811 -26.481 1.00 1.23 H new ATOM 1182 N HIS A 72 -1.574 7.061 -24.990 1.00 10.14 N ATOM 1183 CA HIS A 72 -0.412 6.246 -24.653 1.00 34.13 C ATOM 1184 C HIS A 72 -0.186 6.220 -23.144 1.00 43.31 C ATOM 1185 O HIS A 72 0.464 5.316 -22.619 1.00 30.10 O ATOM 1186 CB HIS A 72 0.834 6.780 -25.358 1.00 42.55 C ATOM 1187 CG HIS A 72 0.931 6.370 -26.796 1.00 1.24 C ATOM 1188 ND1 HIS A 72 2.129 6.095 -27.421 1.00 1.14 N ATOM 1189 CD2 HIS A 72 -0.030 6.187 -27.731 1.00 31.12 C ATOM 1190 CE1 HIS A 72 1.901 5.762 -28.678 1.00 53.25 C ATOM 1191 NE2 HIS A 72 0.598 5.810 -28.892 1.00 61.31 N ATOM 0 H HIS A 72 -1.356 8.031 -25.220 1.00 10.14 H new ATOM 0 HA HIS A 72 -0.603 5.228 -24.992 1.00 34.13 H new ATOM 0 HB2 HIS A 72 0.837 7.868 -25.298 1.00 42.55 H new ATOM 0 HB3 HIS A 72 1.720 6.429 -24.828 1.00 42.55 H new ATOM 0 HD2 HIS A 72 -1.093 6.314 -27.590 1.00 31.12 H new ATOM 0 HE1 HIS A 72 2.652 5.496 -29.407 1.00 53.25 H new ATOM 0 HE2 HIS A 72 0.134 5.601 -29.776 1.00 61.31 H new ATOM 1199 N PHE A 73 -0.725 7.219 -22.453 1.00 22.14 N ATOM 1200 CA PHE A 73 -0.580 7.312 -21.005 1.00 22.24 C ATOM 1201 C PHE A 73 -1.485 6.305 -20.302 1.00 33.34 C ATOM 1202 O PHE A 73 -1.031 5.517 -19.471 1.00 50.24 O ATOM 1203 CB PHE A 73 -0.907 8.728 -20.528 1.00 0.42 C ATOM 1204 CG PHE A 73 0.177 9.726 -20.824 1.00 34.45 C ATOM 1205 CD1 PHE A 73 1.504 9.422 -20.568 1.00 1.20 C ATOM 1206 CD2 PHE A 73 -0.133 10.967 -21.357 1.00 25.34 C ATOM 1207 CE1 PHE A 73 2.504 10.337 -20.839 1.00 52.53 C ATOM 1208 CE2 PHE A 73 0.863 11.886 -21.630 1.00 72.43 C ATOM 1209 CZ PHE A 73 2.182 11.571 -21.370 1.00 44.22 C ATOM 0 H PHE A 73 -1.266 7.975 -22.872 1.00 22.14 H new ATOM 0 HA PHE A 73 0.455 7.081 -20.753 1.00 22.24 H new ATOM 0 HB2 PHE A 73 -1.832 9.057 -21.001 1.00 0.42 H new ATOM 0 HB3 PHE A 73 -1.088 8.708 -19.453 1.00 0.42 H new ATOM 0 HD1 PHE A 73 1.760 8.459 -20.152 1.00 1.20 H new ATOM 0 HD2 PHE A 73 -1.163 11.219 -21.561 1.00 25.34 H new ATOM 0 HE1 PHE A 73 3.535 10.088 -20.636 1.00 52.53 H new ATOM 0 HE2 PHE A 73 0.610 12.850 -22.046 1.00 72.43 H new ATOM 0 HZ PHE A 73 2.961 12.288 -21.582 1.00 44.22 H new ATOM 1219 N LYS A 74 -2.770 6.336 -20.640 1.00 1.32 N ATOM 1220 CA LYS A 74 -3.741 5.427 -20.043 1.00 53.23 C ATOM 1221 C LYS A 74 -3.261 3.982 -20.133 1.00 40.34 C ATOM 1222 O LYS A 74 -3.620 3.146 -19.305 1.00 12.20 O ATOM 1223 CB LYS A 74 -5.097 5.569 -20.738 1.00 53.42 C ATOM 1224 CG LYS A 74 -6.117 4.532 -20.301 1.00 24.41 C ATOM 1225 CD LYS A 74 -6.217 3.392 -21.301 1.00 50.44 C ATOM 1226 CE LYS A 74 -7.328 3.634 -22.311 1.00 53.15 C ATOM 1227 NZ LYS A 74 -8.196 2.436 -22.478 1.00 74.43 N ATOM 0 H LYS A 74 -3.163 6.982 -21.325 1.00 1.32 H new ATOM 0 HA LYS A 74 -3.849 5.691 -18.991 1.00 53.23 H new ATOM 0 HB2 LYS A 74 -5.495 6.564 -20.539 1.00 53.42 H new ATOM 0 HB3 LYS A 74 -4.953 5.493 -21.816 1.00 53.42 H new ATOM 0 HG2 LYS A 74 -5.840 4.137 -19.324 1.00 24.41 H new ATOM 0 HG3 LYS A 74 -7.093 5.005 -20.188 1.00 24.41 H new ATOM 0 HD2 LYS A 74 -5.267 3.280 -21.823 1.00 50.44 H new ATOM 0 HD3 LYS A 74 -6.402 2.457 -20.772 1.00 50.44 H new ATOM 0 HE2 LYS A 74 -7.935 4.480 -21.988 1.00 53.15 H new ATOM 0 HE3 LYS A 74 -6.892 3.904 -23.273 1.00 53.15 H new ATOM 0 HZ1 LYS A 74 -8.941 2.641 -23.174 1.00 74.43 H new ATOM 0 HZ2 LYS A 74 -7.622 1.635 -22.811 1.00 74.43 H new ATOM 0 HZ3 LYS A 74 -8.632 2.194 -21.566 1.00 74.43 H new ATOM 1241 N ALA A 75 -2.446 3.696 -21.144 1.00 12.24 N ATOM 1242 CA ALA A 75 -1.914 2.353 -21.339 1.00 51.42 C ATOM 1243 C ALA A 75 -0.659 2.133 -20.501 1.00 73.43 C ATOM 1244 O ALA A 75 -0.484 1.077 -19.893 1.00 61.51 O ATOM 1245 CB ALA A 75 -1.617 2.113 -22.812 1.00 22.21 C ATOM 0 H ALA A 75 -2.140 4.376 -21.840 1.00 12.24 H new ATOM 0 HA ALA A 75 -2.668 1.638 -21.010 1.00 51.42 H new ATOM 0 HB1 ALA A 75 -1.220 1.106 -22.944 1.00 22.21 H new ATOM 0 HB2 ALA A 75 -2.535 2.220 -23.390 1.00 22.21 H new ATOM 0 HB3 ALA A 75 -0.883 2.841 -23.158 1.00 22.21 H new ATOM 1251 N LYS A 76 0.212 3.135 -20.474 1.00 1.21 N ATOM 1252 CA LYS A 76 1.451 3.052 -19.710 1.00 64.22 C ATOM 1253 C LYS A 76 1.167 2.741 -18.244 1.00 42.21 C ATOM 1254 O LYS A 76 1.941 2.046 -17.585 1.00 73.13 O ATOM 1255 CB LYS A 76 2.233 4.363 -19.823 1.00 21.34 C ATOM 1256 CG LYS A 76 3.720 4.209 -19.556 1.00 64.32 C ATOM 1257 CD LYS A 76 4.495 3.967 -20.841 1.00 30.21 C ATOM 1258 CE LYS A 76 5.996 3.968 -20.595 1.00 60.33 C ATOM 1259 NZ LYS A 76 6.560 5.346 -20.614 1.00 63.32 N ATOM 0 H LYS A 76 0.083 4.015 -20.973 1.00 1.21 H new ATOM 0 HA LYS A 76 2.051 2.242 -20.125 1.00 64.22 H new ATOM 0 HB2 LYS A 76 2.093 4.775 -20.822 1.00 21.34 H new ATOM 0 HB3 LYS A 76 1.819 5.085 -19.119 1.00 21.34 H new ATOM 0 HG2 LYS A 76 4.097 5.106 -19.066 1.00 64.32 H new ATOM 0 HG3 LYS A 76 3.883 3.378 -18.870 1.00 64.32 H new ATOM 0 HD2 LYS A 76 4.197 3.012 -21.273 1.00 30.21 H new ATOM 0 HD3 LYS A 76 4.244 4.738 -21.569 1.00 30.21 H new ATOM 0 HE2 LYS A 76 6.207 3.503 -19.632 1.00 60.33 H new ATOM 0 HE3 LYS A 76 6.489 3.363 -21.356 1.00 60.33 H new ATOM 0 HZ1 LYS A 76 7.585 5.304 -20.443 1.00 63.32 H new ATOM 0 HZ2 LYS A 76 6.382 5.781 -21.541 1.00 63.32 H new ATOM 0 HZ3 LYS A 76 6.108 5.916 -19.871 1.00 63.32 H new ATOM 1273 N PHE A 77 0.053 3.260 -17.739 1.00 75.35 N ATOM 1274 CA PHE A 77 -0.334 3.037 -16.351 1.00 41.01 C ATOM 1275 C PHE A 77 -0.208 1.562 -15.981 1.00 62.03 C ATOM 1276 O PHE A 77 0.243 1.222 -14.888 1.00 64.42 O ATOM 1277 CB PHE A 77 -1.769 3.512 -16.117 1.00 13.35 C ATOM 1278 CG PHE A 77 -1.971 4.973 -16.403 1.00 34.14 C ATOM 1279 CD1 PHE A 77 -3.247 5.507 -16.479 1.00 14.54 C ATOM 1280 CD2 PHE A 77 -0.885 5.811 -16.596 1.00 52.22 C ATOM 1281 CE1 PHE A 77 -3.437 6.851 -16.741 1.00 41.23 C ATOM 1282 CE2 PHE A 77 -1.069 7.156 -16.859 1.00 24.42 C ATOM 1283 CZ PHE A 77 -2.346 7.676 -16.933 1.00 1.13 C ATOM 0 H PHE A 77 -0.598 3.838 -18.270 1.00 75.35 H new ATOM 0 HA PHE A 77 0.340 3.612 -15.716 1.00 41.01 H new ATOM 0 HB2 PHE A 77 -2.443 2.930 -16.746 1.00 13.35 H new ATOM 0 HB3 PHE A 77 -2.046 3.311 -15.082 1.00 13.35 H new ATOM 0 HD1 PHE A 77 -4.103 4.866 -16.332 1.00 14.54 H new ATOM 0 HD2 PHE A 77 0.116 5.410 -16.540 1.00 52.22 H new ATOM 0 HE1 PHE A 77 -4.437 7.255 -16.795 1.00 41.23 H new ATOM 0 HE2 PHE A 77 -0.214 7.799 -17.006 1.00 24.42 H new ATOM 0 HZ PHE A 77 -2.491 8.726 -17.141 1.00 1.13 H new ATOM 1293 N ALA A 78 -0.611 0.691 -16.901 1.00 3.12 N ATOM 1294 CA ALA A 78 -0.542 -0.747 -16.673 1.00 41.11 C ATOM 1295 C ALA A 78 0.891 -1.192 -16.403 1.00 64.01 C ATOM 1296 O ALA A 78 1.134 -2.059 -15.564 1.00 14.31 O ATOM 1297 CB ALA A 78 -1.114 -1.498 -17.866 1.00 60.21 C ATOM 0 H ALA A 78 -0.988 0.956 -17.811 1.00 3.12 H new ATOM 0 HA ALA A 78 -1.139 -0.979 -15.791 1.00 41.11 H new ATOM 0 HB1 ALA A 78 -1.056 -2.571 -17.682 1.00 60.21 H new ATOM 0 HB2 ALA A 78 -2.155 -1.210 -18.012 1.00 60.21 H new ATOM 0 HB3 ALA A 78 -0.541 -1.252 -18.760 1.00 60.21 H new ATOM 1303 N GLU A 79 1.837 -0.594 -17.120 1.00 42.54 N ATOM 1304 CA GLU A 79 3.247 -0.931 -16.958 1.00 14.20 C ATOM 1305 C GLU A 79 3.877 -0.110 -15.837 1.00 12.52 C ATOM 1306 O GLU A 79 4.892 -0.501 -15.260 1.00 21.40 O ATOM 1307 CB GLU A 79 4.004 -0.695 -18.266 1.00 44.51 C ATOM 1308 CG GLU A 79 5.504 -0.537 -18.081 1.00 23.13 C ATOM 1309 CD GLU A 79 6.268 -0.643 -19.386 1.00 71.44 C ATOM 1310 OE1 GLU A 79 5.625 -0.586 -20.455 1.00 74.24 O ATOM 1311 OE2 GLU A 79 7.508 -0.784 -19.340 1.00 13.14 O ATOM 0 H GLU A 79 1.653 0.126 -17.819 1.00 42.54 H new ATOM 0 HA GLU A 79 3.314 -1.986 -16.694 1.00 14.20 H new ATOM 0 HB2 GLU A 79 3.816 -1.530 -18.941 1.00 44.51 H new ATOM 0 HB3 GLU A 79 3.610 0.200 -18.748 1.00 44.51 H new ATOM 0 HG2 GLU A 79 5.710 0.430 -17.622 1.00 23.13 H new ATOM 0 HG3 GLU A 79 5.863 -1.300 -17.391 1.00 23.13 H new ATOM 1318 N LEU A 80 3.268 1.032 -15.534 1.00 23.32 N ATOM 1319 CA LEU A 80 3.769 1.910 -14.482 1.00 70.00 C ATOM 1320 C LEU A 80 3.811 1.184 -13.141 1.00 3.40 C ATOM 1321 O LEU A 80 4.832 1.192 -12.451 1.00 35.12 O ATOM 1322 CB LEU A 80 2.892 3.158 -14.372 1.00 14.20 C ATOM 1323 CG LEU A 80 3.482 4.446 -14.947 1.00 53.30 C ATOM 1324 CD1 LEU A 80 4.602 4.963 -14.058 1.00 41.42 C ATOM 1325 CD2 LEU A 80 3.986 4.216 -16.364 1.00 60.32 C ATOM 0 H LEU A 80 2.427 1.371 -16.002 1.00 23.32 H new ATOM 0 HA LEU A 80 4.784 2.209 -14.744 1.00 70.00 H new ATOM 0 HB2 LEU A 80 1.946 2.959 -14.876 1.00 14.20 H new ATOM 0 HB3 LEU A 80 2.663 3.325 -13.319 1.00 14.20 H new ATOM 0 HG LEU A 80 2.695 5.200 -14.981 1.00 53.30 H new ATOM 0 HD11 LEU A 80 5.010 5.880 -14.483 1.00 41.42 H new ATOM 0 HD12 LEU A 80 4.211 5.168 -13.061 1.00 41.42 H new ATOM 0 HD13 LEU A 80 5.390 4.212 -13.991 1.00 41.42 H new ATOM 0 HD21 LEU A 80 4.402 5.143 -16.757 1.00 60.32 H new ATOM 0 HD22 LEU A 80 4.758 3.447 -16.355 1.00 60.32 H new ATOM 0 HD23 LEU A 80 3.159 3.893 -16.996 1.00 60.32 H new ATOM 1337 N LEU A 81 2.698 0.557 -12.779 1.00 21.34 N ATOM 1338 CA LEU A 81 2.608 -0.177 -11.521 1.00 1.54 C ATOM 1339 C LEU A 81 3.600 -1.335 -11.493 1.00 42.33 C ATOM 1340 O LEU A 81 4.098 -1.712 -10.433 1.00 61.53 O ATOM 1341 CB LEU A 81 1.187 -0.703 -11.315 1.00 14.21 C ATOM 1342 CG LEU A 81 0.805 -1.061 -9.878 1.00 53.51 C ATOM 1343 CD1 LEU A 81 -0.637 -0.668 -9.596 1.00 32.14 C ATOM 1344 CD2 LEU A 81 1.014 -2.546 -9.625 1.00 25.32 C ATOM 0 H LEU A 81 1.845 0.542 -13.338 1.00 21.34 H new ATOM 0 HA LEU A 81 2.856 0.509 -10.711 1.00 1.54 H new ATOM 0 HB2 LEU A 81 0.487 0.049 -11.679 1.00 14.21 H new ATOM 0 HB3 LEU A 81 1.055 -1.589 -11.936 1.00 14.21 H new ATOM 0 HG LEU A 81 1.451 -0.503 -9.200 1.00 53.51 H new ATOM 0 HD11 LEU A 81 -0.891 -0.930 -8.569 1.00 32.14 H new ATOM 0 HD12 LEU A 81 -0.755 0.406 -9.736 1.00 32.14 H new ATOM 0 HD13 LEU A 81 -1.299 -1.198 -10.280 1.00 32.14 H new ATOM 0 HD21 LEU A 81 0.737 -2.783 -8.598 1.00 25.32 H new ATOM 0 HD22 LEU A 81 0.393 -3.123 -10.310 1.00 25.32 H new ATOM 0 HD23 LEU A 81 2.062 -2.798 -9.786 1.00 25.32 H new ATOM 1356 N GLU A 82 3.884 -1.892 -12.666 1.00 72.24 N ATOM 1357 CA GLU A 82 4.818 -3.006 -12.776 1.00 20.51 C ATOM 1358 C GLU A 82 6.261 -2.511 -12.750 1.00 61.14 C ATOM 1359 O GLU A 82 7.173 -3.247 -12.375 1.00 44.20 O ATOM 1360 CB GLU A 82 4.560 -3.793 -14.063 1.00 11.21 C ATOM 1361 CG GLU A 82 3.163 -4.385 -14.145 1.00 11.15 C ATOM 1362 CD GLU A 82 2.826 -5.252 -12.947 1.00 13.42 C ATOM 1363 OE1 GLU A 82 3.167 -6.453 -12.970 1.00 10.12 O ATOM 1364 OE2 GLU A 82 2.221 -4.730 -11.987 1.00 51.54 O ATOM 0 H GLU A 82 3.481 -1.590 -13.553 1.00 72.24 H new ATOM 0 HA GLU A 82 4.662 -3.663 -11.920 1.00 20.51 H new ATOM 0 HB2 GLU A 82 4.718 -3.136 -14.918 1.00 11.21 H new ATOM 0 HB3 GLU A 82 5.291 -4.597 -14.140 1.00 11.21 H new ATOM 0 HG2 GLU A 82 2.434 -3.578 -14.221 1.00 11.15 H new ATOM 0 HG3 GLU A 82 3.077 -4.979 -15.055 1.00 11.15 H new ATOM 1371 N GLN A 83 6.458 -1.260 -13.153 1.00 2.11 N ATOM 1372 CA GLN A 83 7.790 -0.667 -13.177 1.00 40.44 C ATOM 1373 C GLN A 83 8.502 -0.871 -11.844 1.00 54.01 C ATOM 1374 O GLN A 83 9.610 -1.403 -11.798 1.00 4.15 O ATOM 1375 CB GLN A 83 7.700 0.826 -13.498 1.00 4.44 C ATOM 1376 CG GLN A 83 9.052 1.522 -13.540 1.00 34.32 C ATOM 1377 CD GLN A 83 9.577 1.861 -12.159 1.00 31.32 C ATOM 1378 OE1 GLN A 83 8.744 2.506 -11.350 1.00 33.12 O flip ATOM 1379 NE2 GLN A 83 10.719 1.546 -11.822 1.00 44.24 N flip ATOM 0 H GLN A 83 5.713 -0.638 -13.467 1.00 2.11 H new ATOM 0 HA GLN A 83 8.368 -1.165 -13.955 1.00 40.44 H new ATOM 0 HB2 GLN A 83 7.205 0.953 -14.461 1.00 4.44 H new ATOM 0 HB3 GLN A 83 7.073 1.313 -12.751 1.00 4.44 H new ATOM 0 HG2 GLN A 83 9.771 0.881 -14.050 1.00 34.32 H new ATOM 0 HG3 GLN A 83 8.967 2.437 -14.127 1.00 34.32 H new ATOM 0 HE21 GLN A 83 11.325 1.051 -12.476 1.00 44.24 H new ATOM 0 HE22 GLN A 83 11.058 1.780 -10.889 1.00 44.24 H new ATOM 1388 N GLN A 84 7.856 -0.445 -10.763 1.00 45.51 N ATOM 1389 CA GLN A 84 8.429 -0.580 -9.429 1.00 62.21 C ATOM 1390 C GLN A 84 8.182 -1.978 -8.870 1.00 40.51 C ATOM 1391 O GLN A 84 9.095 -2.622 -8.354 1.00 63.22 O ATOM 1392 CB GLN A 84 7.838 0.470 -8.488 1.00 13.51 C ATOM 1393 CG GLN A 84 8.873 1.425 -7.914 1.00 74.12 C ATOM 1394 CD GLN A 84 9.884 0.725 -7.028 1.00 13.24 C ATOM 1395 OE1 GLN A 84 9.393 -0.032 -6.053 1.00 33.22 O flip ATOM 1396 NE2 GLN A 84 11.093 0.864 -7.216 1.00 63.34 N flip ATOM 0 H GLN A 84 6.937 -0.004 -10.785 1.00 45.51 H new ATOM 0 HA GLN A 84 9.505 -0.424 -9.506 1.00 62.21 H new ATOM 0 HB2 GLN A 84 7.084 1.045 -9.026 1.00 13.51 H new ATOM 0 HB3 GLN A 84 7.328 -0.035 -7.668 1.00 13.51 H new ATOM 0 HG2 GLN A 84 9.395 1.923 -8.731 1.00 74.12 H new ATOM 0 HG3 GLN A 84 8.367 2.201 -7.339 1.00 74.12 H new ATOM 0 HE21 GLN A 84 11.426 1.455 -7.977 1.00 63.34 H new ATOM 0 HE22 GLN A 84 11.761 0.388 -6.610 1.00 63.34 H new ATOM 1405 N LYS A 85 6.941 -2.440 -8.976 1.00 20.55 N ATOM 1406 CA LYS A 85 6.572 -3.762 -8.482 1.00 3.13 C ATOM 1407 C LYS A 85 7.551 -4.821 -8.978 1.00 45.02 C ATOM 1408 O LYS A 85 7.815 -5.806 -8.291 1.00 23.43 O ATOM 1409 CB LYS A 85 5.152 -4.117 -8.926 1.00 73.14 C ATOM 1410 CG LYS A 85 4.645 -5.429 -8.353 1.00 11.13 C ATOM 1411 CD LYS A 85 3.355 -5.235 -7.573 1.00 60.22 C ATOM 1412 CE LYS A 85 2.885 -6.536 -6.940 1.00 65.24 C ATOM 1413 NZ LYS A 85 1.477 -6.853 -7.304 1.00 74.12 N ATOM 0 H LYS A 85 6.173 -1.919 -9.400 1.00 20.55 H new ATOM 0 HA LYS A 85 6.610 -3.739 -7.393 1.00 3.13 H new ATOM 0 HB2 LYS A 85 4.476 -3.315 -8.628 1.00 73.14 H new ATOM 0 HB3 LYS A 85 5.123 -4.170 -10.014 1.00 73.14 H new ATOM 0 HG2 LYS A 85 4.479 -6.140 -9.162 1.00 11.13 H new ATOM 0 HG3 LYS A 85 5.404 -5.860 -7.701 1.00 11.13 H new ATOM 0 HD2 LYS A 85 3.507 -4.486 -6.796 1.00 60.22 H new ATOM 0 HD3 LYS A 85 2.581 -4.852 -8.238 1.00 60.22 H new ATOM 0 HE2 LYS A 85 3.535 -7.351 -7.259 1.00 65.24 H new ATOM 0 HE3 LYS A 85 2.973 -6.465 -5.856 1.00 65.24 H new ATOM 0 HZ1 LYS A 85 1.195 -7.747 -6.853 1.00 74.12 H new ATOM 0 HZ2 LYS A 85 0.853 -6.088 -6.977 1.00 74.12 H new ATOM 0 HZ3 LYS A 85 1.398 -6.946 -8.337 1.00 74.12 H new ATOM 1427 N ASN A 86 8.088 -4.609 -10.176 1.00 31.53 N ATOM 1428 CA ASN A 86 9.039 -5.546 -10.763 1.00 70.03 C ATOM 1429 C ASN A 86 10.346 -5.560 -9.976 1.00 33.31 C ATOM 1430 O ASN A 86 10.899 -6.622 -9.691 1.00 41.13 O ATOM 1431 CB ASN A 86 9.314 -5.178 -12.223 1.00 11.33 C ATOM 1432 CG ASN A 86 10.311 -6.114 -12.877 1.00 72.35 C ATOM 1433 OD1 ASN A 86 11.470 -5.757 -13.087 1.00 22.14 O ATOM 1434 ND2 ASN A 86 9.862 -7.321 -13.205 1.00 2.42 N ATOM 0 H ASN A 86 7.881 -3.798 -10.758 1.00 31.53 H new ATOM 0 HA ASN A 86 8.601 -6.543 -10.722 1.00 70.03 H new ATOM 0 HB2 ASN A 86 8.379 -5.199 -12.783 1.00 11.33 H new ATOM 0 HB3 ASN A 86 9.692 -4.157 -12.272 1.00 11.33 H new ATOM 0 HD21 ASN A 86 10.486 -7.994 -13.650 1.00 2.42 H new ATOM 0 HD22 ASN A 86 8.893 -7.574 -13.012 1.00 2.42 H new ATOM 1441 N ALA A 87 10.833 -4.374 -9.627 1.00 35.04 N ATOM 1442 CA ALA A 87 12.072 -4.250 -8.870 1.00 2.21 C ATOM 1443 C ALA A 87 11.916 -4.817 -7.463 1.00 14.51 C ATOM 1444 O ALA A 87 12.637 -5.733 -7.070 1.00 74.21 O ATOM 1445 CB ALA A 87 12.510 -2.794 -8.809 1.00 14.21 C ATOM 0 H ALA A 87 10.388 -3.485 -9.857 1.00 35.04 H new ATOM 0 HA ALA A 87 12.841 -4.828 -9.383 1.00 2.21 H new ATOM 0 HB1 ALA A 87 13.437 -2.716 -8.241 1.00 14.21 H new ATOM 0 HB2 ALA A 87 12.672 -2.420 -9.820 1.00 14.21 H new ATOM 0 HB3 ALA A 87 11.735 -2.201 -8.323 1.00 14.21 H new ATOM 1451 N GLN A 88 10.970 -4.264 -6.709 1.00 62.44 N ATOM 1452 CA GLN A 88 10.721 -4.715 -5.345 1.00 41.02 C ATOM 1453 C GLN A 88 11.982 -4.598 -4.495 1.00 33.33 C ATOM 1454 O GLN A 88 12.130 -5.291 -3.487 1.00 54.44 O ATOM 1455 CB GLN A 88 10.224 -6.162 -5.346 1.00 44.32 C ATOM 1456 CG GLN A 88 9.123 -6.427 -4.333 1.00 75.31 C ATOM 1457 CD GLN A 88 8.645 -7.866 -4.354 1.00 51.10 C ATOM 1458 OE1 GLN A 88 8.803 -8.570 -5.352 1.00 35.11 O ATOM 1459 NE2 GLN A 88 8.057 -8.311 -3.250 1.00 1.04 N ATOM 0 H GLN A 88 10.365 -3.504 -7.020 1.00 62.44 H new ATOM 0 HA GLN A 88 9.952 -4.075 -4.912 1.00 41.02 H new ATOM 0 HB2 GLN A 88 9.858 -6.411 -6.342 1.00 44.32 H new ATOM 0 HB3 GLN A 88 11.063 -6.826 -5.140 1.00 44.32 H new ATOM 0 HG2 GLN A 88 9.487 -6.183 -3.335 1.00 75.31 H new ATOM 0 HG3 GLN A 88 8.281 -5.765 -4.536 1.00 75.31 H new ATOM 0 HE21 GLN A 88 7.947 -7.693 -2.446 1.00 1.04 H new ATOM 0 HE22 GLN A 88 7.715 -9.271 -3.206 1.00 1.04 H new ATOM 1468 N PHE A 89 12.888 -3.718 -4.907 1.00 22.42 N ATOM 1469 CA PHE A 89 14.137 -3.512 -4.183 1.00 44.13 C ATOM 1470 C PHE A 89 13.869 -3.172 -2.720 1.00 72.41 C ATOM 1471 O PHE A 89 12.773 -2.755 -2.344 1.00 61.34 O ATOM 1472 CB PHE A 89 14.951 -2.393 -4.837 1.00 61.11 C ATOM 1473 CG PHE A 89 16.053 -2.894 -5.727 1.00 33.34 C ATOM 1474 CD1 PHE A 89 17.327 -2.357 -5.644 1.00 10.44 C ATOM 1475 CD2 PHE A 89 15.814 -3.903 -6.646 1.00 52.22 C ATOM 1476 CE1 PHE A 89 18.343 -2.816 -6.460 1.00 41.25 C ATOM 1477 CE2 PHE A 89 16.826 -4.366 -7.465 1.00 71.33 C ATOM 1478 CZ PHE A 89 18.092 -3.821 -7.373 1.00 72.32 C ATOM 0 H PHE A 89 12.781 -3.136 -5.738 1.00 22.42 H new ATOM 0 HA PHE A 89 14.708 -4.440 -4.223 1.00 44.13 H new ATOM 0 HB2 PHE A 89 14.282 -1.762 -5.421 1.00 61.11 H new ATOM 0 HB3 PHE A 89 15.382 -1.765 -4.057 1.00 61.11 H new ATOM 0 HD1 PHE A 89 17.529 -1.570 -4.933 1.00 10.44 H new ATOM 0 HD2 PHE A 89 14.826 -4.332 -6.723 1.00 52.22 H new ATOM 0 HE1 PHE A 89 19.332 -2.389 -6.384 1.00 41.25 H new ATOM 0 HE2 PHE A 89 16.627 -5.154 -8.177 1.00 71.33 H new ATOM 0 HZ PHE A 89 18.884 -4.180 -8.014 1.00 72.32 H new ATOM 1488 N PRO A 90 14.893 -3.356 -1.873 1.00 54.42 N ATOM 1489 CA PRO A 90 14.792 -3.075 -0.438 1.00 25.32 C ATOM 1490 C PRO A 90 14.689 -1.582 -0.145 1.00 22.54 C ATOM 1491 O PRO A 90 15.403 -0.773 -0.735 1.00 23.12 O ATOM 1492 CB PRO A 90 16.098 -3.642 0.126 1.00 12.01 C ATOM 1493 CG PRO A 90 17.051 -3.607 -1.018 1.00 24.11 C ATOM 1494 CD PRO A 90 16.227 -3.850 -2.252 1.00 20.13 C ATOM 0 HA PRO A 90 13.896 -3.513 0.001 1.00 25.32 H new ATOM 0 HB2 PRO A 90 16.461 -3.044 0.962 1.00 12.01 H new ATOM 0 HB3 PRO A 90 15.961 -4.658 0.496 1.00 12.01 H new ATOM 0 HG2 PRO A 90 17.560 -2.645 -1.072 1.00 24.11 H new ATOM 0 HG3 PRO A 90 17.822 -4.370 -0.907 1.00 24.11 H new ATOM 0 HD2 PRO A 90 16.625 -3.313 -3.113 1.00 20.13 H new ATOM 0 HD3 PRO A 90 16.204 -4.907 -2.518 1.00 20.13 H new ATOM 1502 N GLY A 91 13.795 -1.224 0.772 1.00 30.41 N ATOM 1503 CA GLY A 91 13.615 0.171 1.128 1.00 43.03 C ATOM 1504 C GLY A 91 13.459 0.373 2.622 1.00 42.11 C ATOM 1505 O GLY A 91 14.346 0.918 3.279 1.00 44.44 O ATOM 0 H GLY A 91 13.192 -1.876 1.275 1.00 30.41 H new ATOM 0 HA2 GLY A 91 14.471 0.746 0.774 1.00 43.03 H new ATOM 0 HA3 GLY A 91 12.735 0.562 0.618 1.00 43.03 H new ATOM 1509 N LYS A 92 12.327 -0.066 3.162 1.00 40.45 N ATOM 1510 CA LYS A 92 12.056 0.070 4.588 1.00 71.32 C ATOM 1511 C LYS A 92 12.944 -0.867 5.402 1.00 54.54 C ATOM 1512 O LYS A 92 12.669 -1.138 6.571 1.00 51.23 O ATOM 1513 CB LYS A 92 10.583 -0.226 4.878 1.00 32.52 C ATOM 1514 CG LYS A 92 10.192 -1.673 4.628 1.00 43.22 C ATOM 1515 CD LYS A 92 8.763 -1.948 5.065 1.00 63.24 C ATOM 1516 CE LYS A 92 7.940 -2.544 3.933 1.00 14.02 C ATOM 1517 NZ LYS A 92 6.479 -2.351 4.150 1.00 71.44 N ATOM 0 H LYS A 92 11.582 -0.519 2.633 1.00 40.45 H new ATOM 0 HA LYS A 92 12.278 1.097 4.879 1.00 71.32 H new ATOM 0 HB2 LYS A 92 10.368 0.025 5.917 1.00 32.52 H new ATOM 0 HB3 LYS A 92 9.962 0.421 4.259 1.00 32.52 H new ATOM 0 HG2 LYS A 92 10.300 -1.902 3.568 1.00 43.22 H new ATOM 0 HG3 LYS A 92 10.872 -2.333 5.167 1.00 43.22 H new ATOM 0 HD2 LYS A 92 8.766 -2.632 5.914 1.00 63.24 H new ATOM 0 HD3 LYS A 92 8.300 -1.021 5.404 1.00 63.24 H new ATOM 0 HE2 LYS A 92 8.231 -2.082 2.990 1.00 14.02 H new ATOM 0 HE3 LYS A 92 8.157 -3.609 3.847 1.00 14.02 H new ATOM 0 HZ1 LYS A 92 5.952 -2.771 3.358 1.00 71.44 H new ATOM 0 HZ2 LYS A 92 6.196 -2.813 5.038 1.00 71.44 H new ATOM 0 HZ3 LYS A 92 6.268 -1.334 4.206 1.00 71.44 H new TER 1531 LYS A 92