USER MOD reduce.3.24.130724 H: found=0, std=0, add=743, rem=0, adj=44 USER MOD reduce.3.24.130724 removed 743 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 69 CYS SG : rot 180:sc= -0.1 USER MOD Set 1.2: A 101 LYS NZ :NH3+ -127:sc= 0.0228 (180deg=0) USER MOD Set 1.3: A 105 CYS SG : rot 77:sc= 0.139 USER MOD Set 2.1: A 103 ASN : amide:sc= 0.563 K(o=0.16,f=-2.2!) USER MOD Set 2.2: A 104 TYR OH : rot -171:sc= -0.399 USER MOD Set 3.1: A 54 LYS NZ :NH3+ -122:sc= -1.06 (180deg=-2.6!) USER MOD Set 3.2: A 85 SER OG : rot -70:sc= 0 USER MOD Set 4.1: A 40 ASN : amide:sc= -0.0865 K(o=-0.087,f=-3.9!) USER MOD Set 4.2: A 84 THR OG1 : rot 180:sc= 0 USER MOD Set 5.1: A 11 LYS NZ :NH3+ -171:sc= 1.14 (180deg=0) USER MOD Set 5.2: A 14 GLN : amide:sc= 1.11 K(o=2.2,f=-9.3!) USER MOD Set 6.1: A 12 CYS SG : rot -50:sc= -1.1 USER MOD Set 6.2: A 50 CYS SG : rot 144:sc= -3.19! USER MOD Single : A 1 ALA N :NH3+ 150:sc= -0.0287 (180deg=-1.2) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 5 GLN : amide:sc= -0.939 K(o=-0.94,f=-2!) USER MOD Single : A 17 LYS NZ :NH3+ 167:sc= -2.31 (180deg=-2.74) USER MOD Single : A 19 SER OG : rot 69:sc= 0.206 USER MOD Single : A 20 CYS SG : rot -81:sc= -1.69 USER MOD Single : A 21 ASN : amide:sc= -0.0766 K(o=-0.077,f=-0.9) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 26 SER OG : rot 165:sc= -1.11 USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 CYS SG : rot 180:sc= 0 USER MOD Single : A 33 TYR OH : rot -158:sc= 0.635 USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ -157:sc= 0.408 (180deg=-0.0133) USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 43 GLN : amide:sc= -0.152 X(o=-0.15,f=-0.33) USER MOD Single : A 44 GLN : amide:sc= -0.531 K(o=-0.53,f=-1.5) USER MOD Single : A 45 THR OG1 : rot 4:sc= 1.16 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 TYR OH : rot -176:sc= -2.97! USER MOD Single : A 59 SER OG : rot 92:sc= 0.742 USER MOD Single : A 60 LYS NZ :NH3+ -179:sc= 1.22 (180deg=1.15) USER MOD Single : A 61 SER OG : rot 180:sc=-0.00392 USER MOD Single : A 65 CYS SG : rot 71:sc= -1.17! USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 72 MET CE :methyl 168:sc= 0 (180deg=-0.159) USER MOD Single : A 73 THR OG1 : rot 139:sc= 0.611 USER MOD Single : A 74 SER OG : rot 45:sc= 0.108 USER MOD Single : A 75 CYS SG : rot 180:sc= -0.0663 USER MOD Single : A 78 SER OG : rot -101:sc= 0.799 USER MOD Single : A 80 SER OG : rot 180:sc= -0.27 USER MOD Single : A 83 SER OG : rot -89:sc= -2.55! USER MOD Single : A 86 HIS : no HE2:sc= -0.307 K(o=-0.31,f=-1.2) USER MOD Single : A 88 THR OG1 : rot 180:sc= 0 USER MOD Single : A 91 SER OG : rot 180:sc= 0.0692 USER MOD Single : A 94 GLN :FLIP amide:sc= -0.762 F(o=-4.6!,f=-0.76) USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -2.239 12.626 -6.096 1.00 0.54 N ATOM 2 CA ALA A 1 -2.900 11.306 -6.211 1.00 0.39 C ATOM 3 C ALA A 1 -4.404 11.477 -6.308 1.00 0.35 C ATOM 4 O ALA A 1 -4.966 12.439 -5.786 1.00 0.37 O ATOM 5 CB ALA A 1 -2.538 10.433 -5.019 1.00 0.28 C ATOM 0 H1 ALA A 1 -1.361 12.528 -5.547 1.00 0.54 H new ATOM 0 H2 ALA A 1 -2.015 12.986 -7.046 1.00 0.54 H new ATOM 0 H3 ALA A 1 -2.876 13.292 -5.614 1.00 0.54 H new ATOM 0 HA ALA A 1 -2.550 10.816 -7.119 1.00 0.39 H new ATOM 0 HB1 ALA A 1 -3.030 9.465 -5.114 1.00 0.28 H new ATOM 0 HB2 ALA A 1 -1.458 10.290 -4.988 1.00 0.28 H new ATOM 0 HB3 ALA A 1 -2.867 10.918 -4.100 1.00 0.28 H new ATOM 13 N PRO A 2 -5.062 10.570 -7.034 1.00 0.34 N ATOM 14 CA PRO A 2 -6.513 10.544 -7.174 1.00 0.34 C ATOM 15 C PRO A 2 -7.190 9.993 -5.945 1.00 0.28 C ATOM 16 O PRO A 2 -8.299 10.399 -5.602 1.00 0.28 O ATOM 17 CB PRO A 2 -6.746 9.592 -8.342 1.00 0.39 C ATOM 18 CG PRO A 2 -5.406 9.407 -8.964 1.00 0.45 C ATOM 19 CD PRO A 2 -4.451 9.509 -7.824 1.00 0.39 C ATOM 0 HA PRO A 2 -6.918 11.545 -7.324 1.00 0.34 H new ATOM 0 HB2 PRO A 2 -7.157 8.642 -8.000 1.00 0.39 H new ATOM 0 HB3 PRO A 2 -7.457 10.009 -9.055 1.00 0.39 H new ATOM 0 HG2 PRO A 2 -5.329 8.440 -9.462 1.00 0.45 H new ATOM 0 HG3 PRO A 2 -5.209 10.170 -9.717 1.00 0.45 H new ATOM 0 HD2 PRO A 2 -4.374 8.575 -7.268 1.00 0.39 H new ATOM 0 HD3 PRO A 2 -3.445 9.769 -8.153 1.00 0.39 H new ATOM 27 N THR A 3 -6.528 9.050 -5.295 1.00 0.27 N ATOM 28 CA THR A 3 -7.084 8.420 -4.125 1.00 0.24 C ATOM 29 C THR A 3 -6.073 8.379 -2.992 1.00 0.19 C ATOM 30 O THR A 3 -4.889 8.652 -3.212 1.00 0.19 O ATOM 31 CB THR A 3 -7.563 6.999 -4.431 1.00 0.31 C ATOM 32 OG1 THR A 3 -6.463 6.210 -4.906 1.00 0.34 O ATOM 33 CG2 THR A 3 -8.667 7.020 -5.477 1.00 0.37 C ATOM 0 H THR A 3 -5.605 8.709 -5.564 1.00 0.27 H new ATOM 0 HA THR A 3 -7.940 9.020 -3.816 1.00 0.24 H new ATOM 0 HB THR A 3 -7.959 6.560 -3.515 1.00 0.31 H new ATOM 0 HG1 THR A 3 -6.772 5.300 -5.099 1.00 0.34 H new ATOM 0 HG21 THR A 3 -8.994 6.001 -5.681 1.00 0.37 H new ATOM 0 HG22 THR A 3 -9.509 7.604 -5.106 1.00 0.37 H new ATOM 0 HG23 THR A 3 -8.290 7.471 -6.395 1.00 0.37 H new ATOM 41 N LEU A 4 -6.520 8.040 -1.795 1.00 0.16 N ATOM 42 CA LEU A 4 -5.662 8.151 -0.629 1.00 0.15 C ATOM 43 C LEU A 4 -4.486 7.184 -0.699 1.00 0.18 C ATOM 44 O LEU A 4 -3.369 7.532 -0.309 1.00 0.24 O ATOM 45 CB LEU A 4 -6.459 7.965 0.666 1.00 0.13 C ATOM 46 CG LEU A 4 -5.632 8.008 1.950 1.00 0.12 C ATOM 47 CD1 LEU A 4 -5.095 9.414 2.166 1.00 0.09 C ATOM 48 CD2 LEU A 4 -6.459 7.558 3.143 1.00 0.15 C ATOM 0 H LEU A 4 -7.459 7.690 -1.606 1.00 0.16 H new ATOM 0 HA LEU A 4 -5.250 9.160 -0.625 1.00 0.15 H new ATOM 0 HB2 LEU A 4 -7.223 8.741 0.718 1.00 0.13 H new ATOM 0 HB3 LEU A 4 -6.979 7.008 0.620 1.00 0.13 H new ATOM 0 HG LEU A 4 -4.793 7.320 1.851 1.00 0.12 H new ATOM 0 HD11 LEU A 4 -4.506 9.442 3.083 1.00 0.09 H new ATOM 0 HD12 LEU A 4 -4.466 9.697 1.322 1.00 0.09 H new ATOM 0 HD13 LEU A 4 -5.927 10.113 2.249 1.00 0.09 H new ATOM 0 HD21 LEU A 4 -5.848 7.597 4.045 1.00 0.15 H new ATOM 0 HD22 LEU A 4 -7.320 8.217 3.259 1.00 0.15 H new ATOM 0 HD23 LEU A 4 -6.803 6.536 2.982 1.00 0.15 H new ATOM 60 N GLN A 5 -4.708 5.990 -1.234 1.00 0.17 N ATOM 61 CA GLN A 5 -3.636 5.017 -1.304 1.00 0.22 C ATOM 62 C GLN A 5 -2.544 5.454 -2.274 1.00 0.22 C ATOM 63 O GLN A 5 -1.373 5.210 -2.021 1.00 0.25 O ATOM 64 CB GLN A 5 -4.127 3.629 -1.689 1.00 0.29 C ATOM 65 CG GLN A 5 -2.981 2.632 -1.669 1.00 0.55 C ATOM 66 CD GLN A 5 -3.244 1.358 -2.436 1.00 0.67 C ATOM 67 OE1 GLN A 5 -4.366 0.856 -2.484 1.00 1.58 O ATOM 68 NE2 GLN A 5 -2.199 0.847 -3.068 1.00 0.73 N ATOM 0 H GLN A 5 -5.601 5.680 -1.617 1.00 0.17 H new ATOM 0 HA GLN A 5 -3.222 4.962 -0.297 1.00 0.22 H new ATOM 0 HB2 GLN A 5 -4.907 3.309 -0.998 1.00 0.29 H new ATOM 0 HB3 GLN A 5 -4.574 3.658 -2.683 1.00 0.29 H new ATOM 0 HG2 GLN A 5 -2.092 3.111 -2.080 1.00 0.55 H new ATOM 0 HG3 GLN A 5 -2.756 2.377 -0.633 1.00 0.55 H new ATOM 0 HE21 GLN A 5 -1.288 1.301 -2.997 1.00 0.73 H new ATOM 0 HE22 GLN A 5 -2.305 -0.000 -3.626 1.00 0.73 H new ATOM 77 N GLU A 6 -2.904 6.116 -3.369 1.00 0.23 N ATOM 78 CA GLU A 6 -1.873 6.550 -4.308 1.00 0.24 C ATOM 79 C GLU A 6 -1.010 7.622 -3.663 1.00 0.23 C ATOM 80 O GLU A 6 0.148 7.791 -4.015 1.00 0.24 O ATOM 81 CB GLU A 6 -2.417 7.059 -5.647 1.00 0.30 C ATOM 82 CG GLU A 6 -1.294 7.318 -6.628 1.00 0.34 C ATOM 83 CD GLU A 6 -1.702 8.011 -7.905 1.00 0.95 C ATOM 84 OE1 GLU A 6 -2.306 7.337 -8.769 1.00 1.11 O ATOM 85 OE2 GLU A 6 -1.449 9.221 -8.048 1.00 1.70 O ATOM 0 H GLU A 6 -3.862 6.357 -3.623 1.00 0.23 H new ATOM 0 HA GLU A 6 -1.283 5.664 -4.540 1.00 0.24 H new ATOM 0 HB2 GLU A 6 -3.107 6.326 -6.065 1.00 0.30 H new ATOM 0 HB3 GLU A 6 -2.984 7.976 -5.488 1.00 0.30 H new ATOM 0 HG2 GLU A 6 -0.533 7.922 -6.133 1.00 0.34 H new ATOM 0 HG3 GLU A 6 -0.829 6.366 -6.883 1.00 0.34 H new ATOM 92 N ALA A 7 -1.576 8.338 -2.700 1.00 0.22 N ATOM 93 CA ALA A 7 -0.808 9.298 -1.922 1.00 0.22 C ATOM 94 C ALA A 7 0.210 8.550 -1.070 1.00 0.19 C ATOM 95 O ALA A 7 1.275 9.070 -0.734 1.00 0.19 O ATOM 96 CB ALA A 7 -1.749 10.146 -1.068 1.00 0.24 C ATOM 0 H ALA A 7 -2.560 8.272 -2.441 1.00 0.22 H new ATOM 0 HA ALA A 7 -0.268 9.974 -2.584 1.00 0.22 H new ATOM 0 HB1 ALA A 7 -1.168 10.863 -0.488 1.00 0.24 H new ATOM 0 HB2 ALA A 7 -2.444 10.681 -1.715 1.00 0.24 H new ATOM 0 HB3 ALA A 7 -2.308 9.500 -0.391 1.00 0.24 H new ATOM 102 N LEU A 8 -0.115 7.306 -0.758 1.00 0.17 N ATOM 103 CA LEU A 8 0.813 6.418 -0.087 1.00 0.15 C ATOM 104 C LEU A 8 1.861 5.930 -1.063 1.00 0.15 C ATOM 105 O LEU A 8 3.053 5.993 -0.780 1.00 0.16 O ATOM 106 CB LEU A 8 0.106 5.213 0.486 1.00 0.15 C ATOM 107 CG LEU A 8 -0.939 5.498 1.536 1.00 0.12 C ATOM 108 CD1 LEU A 8 -1.407 4.194 2.142 1.00 0.15 C ATOM 109 CD2 LEU A 8 -0.377 6.410 2.597 1.00 0.12 C ATOM 0 H LEU A 8 -1.023 6.888 -0.962 1.00 0.17 H new ATOM 0 HA LEU A 8 1.275 6.982 0.723 1.00 0.15 H new ATOM 0 HB2 LEU A 8 -0.368 4.671 -0.332 1.00 0.15 H new ATOM 0 HB3 LEU A 8 0.854 4.548 0.917 1.00 0.15 H new ATOM 0 HG LEU A 8 -1.790 6.000 1.076 1.00 0.12 H new ATOM 0 HD11 LEU A 8 -2.162 4.396 2.901 1.00 0.15 H new ATOM 0 HD12 LEU A 8 -1.835 3.564 1.363 1.00 0.15 H new ATOM 0 HD13 LEU A 8 -0.561 3.681 2.599 1.00 0.15 H new ATOM 0 HD21 LEU A 8 -1.141 6.608 3.349 1.00 0.12 H new ATOM 0 HD22 LEU A 8 0.482 5.933 3.069 1.00 0.12 H new ATOM 0 HD23 LEU A 8 -0.065 7.350 2.141 1.00 0.12 H new ATOM 121 N ASP A 9 1.390 5.445 -2.210 1.00 0.15 N ATOM 122 CA ASP A 9 2.250 4.961 -3.287 1.00 0.15 C ATOM 123 C ASP A 9 3.195 6.072 -3.736 1.00 0.15 C ATOM 124 O ASP A 9 4.303 5.825 -4.210 1.00 0.15 O ATOM 125 CB ASP A 9 1.401 4.497 -4.479 1.00 0.20 C ATOM 126 CG ASP A 9 0.389 3.418 -4.116 1.00 0.97 C ATOM 127 OD1 ASP A 9 0.771 2.418 -3.473 1.00 1.34 O ATOM 128 OD2 ASP A 9 -0.794 3.572 -4.470 1.00 1.61 O ATOM 0 H ASP A 9 0.394 5.376 -2.419 1.00 0.15 H new ATOM 0 HA ASP A 9 2.832 4.118 -2.916 1.00 0.15 H new ATOM 0 HB2 ASP A 9 0.873 5.355 -4.896 1.00 0.20 H new ATOM 0 HB3 ASP A 9 2.060 4.119 -5.260 1.00 0.20 H new ATOM 133 N ARG A 10 2.736 7.303 -3.566 1.00 0.17 N ATOM 134 CA ARG A 10 3.499 8.487 -3.901 1.00 0.20 C ATOM 135 C ARG A 10 4.525 8.792 -2.823 1.00 0.19 C ATOM 136 O ARG A 10 5.631 9.242 -3.117 1.00 0.24 O ATOM 137 CB ARG A 10 2.514 9.633 -4.089 1.00 0.25 C ATOM 138 CG ARG A 10 2.007 9.742 -5.511 1.00 0.67 C ATOM 139 CD ARG A 10 0.829 10.672 -5.575 1.00 0.64 C ATOM 140 NE ARG A 10 0.389 10.936 -6.946 1.00 1.02 N ATOM 141 CZ ARG A 10 0.524 12.109 -7.563 1.00 1.80 C ATOM 142 NH1 ARG A 10 1.154 13.113 -6.968 1.00 2.60 N ATOM 143 NH2 ARG A 10 0.029 12.280 -8.781 1.00 2.10 N ATOM 0 H ARG A 10 1.811 7.506 -3.187 1.00 0.17 H new ATOM 0 HA ARG A 10 4.061 8.334 -4.822 1.00 0.20 H new ATOM 0 HB2 ARG A 10 1.668 9.493 -3.416 1.00 0.25 H new ATOM 0 HB3 ARG A 10 2.995 10.570 -3.807 1.00 0.25 H new ATOM 0 HG2 ARG A 10 2.802 10.107 -6.161 1.00 0.67 H new ATOM 0 HG3 ARG A 10 1.721 8.757 -5.879 1.00 0.67 H new ATOM 0 HD2 ARG A 10 0.002 10.243 -5.009 1.00 0.64 H new ATOM 0 HD3 ARG A 10 1.089 11.615 -5.094 1.00 0.64 H new ATOM 0 HE ARG A 10 -0.049 10.173 -7.462 1.00 1.02 H new ATOM 0 HH11 ARG A 10 1.539 12.990 -6.032 1.00 2.60 H new ATOM 0 HH12 ARG A 10 1.253 14.008 -7.447 1.00 2.60 H new ATOM 0 HH21 ARG A 10 -0.456 11.513 -9.247 1.00 2.10 H new ATOM 0 HH22 ARG A 10 0.133 13.179 -9.252 1.00 2.10 H new ATOM 157 N LYS A 11 4.172 8.512 -1.576 1.00 0.18 N ATOM 158 CA LYS A 11 5.126 8.585 -0.491 1.00 0.21 C ATOM 159 C LYS A 11 6.149 7.470 -0.701 1.00 0.18 C ATOM 160 O LYS A 11 7.345 7.627 -0.469 1.00 0.18 O ATOM 161 CB LYS A 11 4.419 8.424 0.847 1.00 0.26 C ATOM 162 CG LYS A 11 5.301 8.762 2.027 1.00 0.42 C ATOM 163 CD LYS A 11 5.997 10.082 1.826 1.00 0.52 C ATOM 164 CE LYS A 11 5.000 11.214 1.757 1.00 0.59 C ATOM 165 NZ LYS A 11 5.644 12.529 1.517 1.00 0.99 N ATOM 0 H LYS A 11 3.232 8.233 -1.296 1.00 0.18 H new ATOM 0 HA LYS A 11 5.623 9.555 -0.482 1.00 0.21 H new ATOM 0 HB2 LYS A 11 3.537 9.064 0.865 1.00 0.26 H new ATOM 0 HB3 LYS A 11 4.069 7.396 0.945 1.00 0.26 H new ATOM 0 HG2 LYS A 11 4.699 8.800 2.935 1.00 0.42 H new ATOM 0 HG3 LYS A 11 6.042 7.975 2.168 1.00 0.42 H new ATOM 0 HD2 LYS A 11 6.696 10.257 2.644 1.00 0.52 H new ATOM 0 HD3 LYS A 11 6.583 10.052 0.907 1.00 0.52 H new ATOM 0 HE2 LYS A 11 4.284 11.014 0.960 1.00 0.59 H new ATOM 0 HE3 LYS A 11 4.437 11.254 2.689 1.00 0.59 H new ATOM 0 HZ1 LYS A 11 4.940 13.286 1.630 1.00 0.99 H new ATOM 0 HZ2 LYS A 11 6.415 12.668 2.201 1.00 0.99 H new ATOM 0 HZ3 LYS A 11 6.029 12.556 0.551 1.00 0.99 H new ATOM 179 N CYS A 12 5.620 6.339 -1.160 1.00 0.16 N ATOM 180 CA CYS A 12 6.395 5.159 -1.518 1.00 0.14 C ATOM 181 C CYS A 12 7.413 5.462 -2.606 1.00 0.14 C ATOM 182 O CYS A 12 8.527 4.944 -2.581 1.00 0.14 O ATOM 183 CB CYS A 12 5.444 4.046 -1.974 1.00 0.13 C ATOM 184 SG CYS A 12 4.476 3.310 -0.639 1.00 0.15 S ATOM 0 H CYS A 12 4.617 6.217 -1.296 1.00 0.16 H new ATOM 0 HA CYS A 12 6.949 4.834 -0.638 1.00 0.14 H new ATOM 0 HB2 CYS A 12 4.762 4.449 -2.723 1.00 0.13 H new ATOM 0 HB3 CYS A 12 6.025 3.263 -2.461 1.00 0.13 H new ATOM 0 HG CYS A 12 5.267 2.977 0.338 1.00 0.15 H new ATOM 190 N ALA A 13 7.033 6.306 -3.549 1.00 0.17 N ATOM 191 CA ALA A 13 7.908 6.667 -4.652 1.00 0.20 C ATOM 192 C ALA A 13 9.035 7.558 -4.158 1.00 0.21 C ATOM 193 O ALA A 13 10.168 7.467 -4.627 1.00 0.28 O ATOM 194 CB ALA A 13 7.105 7.360 -5.738 1.00 0.25 C ATOM 0 H ALA A 13 6.118 6.757 -3.573 1.00 0.17 H new ATOM 0 HA ALA A 13 8.351 5.763 -5.071 1.00 0.20 H new ATOM 0 HB1 ALA A 13 7.765 7.629 -6.563 1.00 0.25 H new ATOM 0 HB2 ALA A 13 6.327 6.688 -6.100 1.00 0.25 H new ATOM 0 HB3 ALA A 13 6.646 8.261 -5.332 1.00 0.25 H new ATOM 200 N GLN A 14 8.719 8.387 -3.173 1.00 0.20 N ATOM 201 CA GLN A 14 9.673 9.331 -2.611 1.00 0.23 C ATOM 202 C GLN A 14 10.773 8.621 -1.838 1.00 0.26 C ATOM 203 O GLN A 14 11.875 9.137 -1.691 1.00 0.43 O ATOM 204 CB GLN A 14 8.952 10.298 -1.696 1.00 0.24 C ATOM 205 CG GLN A 14 8.084 11.280 -2.452 1.00 0.26 C ATOM 206 CD GLN A 14 7.440 12.311 -1.548 1.00 0.32 C ATOM 207 OE1 GLN A 14 6.333 12.118 -1.048 1.00 0.87 O ATOM 208 NE2 GLN A 14 8.138 13.410 -1.322 1.00 1.07 N ATOM 0 H GLN A 14 7.795 8.424 -2.742 1.00 0.20 H new ATOM 0 HA GLN A 14 10.137 9.872 -3.436 1.00 0.23 H new ATOM 0 HB2 GLN A 14 8.333 9.737 -0.996 1.00 0.24 H new ATOM 0 HB3 GLN A 14 9.685 10.847 -1.105 1.00 0.24 H new ATOM 0 HG2 GLN A 14 8.688 11.789 -3.203 1.00 0.26 H new ATOM 0 HG3 GLN A 14 7.306 10.734 -2.985 1.00 0.26 H new ATOM 0 HE21 GLN A 14 9.053 13.531 -1.756 1.00 1.07 H new ATOM 0 HE22 GLN A 14 7.762 14.137 -0.713 1.00 1.07 H new ATOM 217 N PHE A 15 10.445 7.450 -1.329 1.00 0.20 N ATOM 218 CA PHE A 15 11.393 6.632 -0.586 1.00 0.20 C ATOM 219 C PHE A 15 11.984 5.551 -1.477 1.00 0.19 C ATOM 220 O PHE A 15 13.201 5.444 -1.627 1.00 0.24 O ATOM 221 CB PHE A 15 10.707 5.940 0.581 1.00 0.21 C ATOM 222 CG PHE A 15 10.031 6.838 1.566 1.00 0.23 C ATOM 223 CD1 PHE A 15 10.692 7.954 2.012 1.00 0.36 C ATOM 224 CD2 PHE A 15 8.744 6.599 2.022 1.00 0.18 C ATOM 225 CE1 PHE A 15 10.106 8.821 2.893 1.00 0.42 C ATOM 226 CE2 PHE A 15 8.145 7.476 2.911 1.00 0.24 C ATOM 227 CZ PHE A 15 8.722 8.406 3.430 1.00 0.33 C ATOM 0 H PHE A 15 9.517 7.036 -1.417 1.00 0.20 H new ATOM 0 HA PHE A 15 12.178 7.297 -0.225 1.00 0.20 H new ATOM 0 HB2 PHE A 15 9.966 5.247 0.183 1.00 0.21 H new ATOM 0 HB3 PHE A 15 11.449 5.344 1.112 1.00 0.21 H new ATOM 0 HD1 PHE A 15 11.694 8.152 1.661 1.00 0.36 H new ATOM 0 HD2 PHE A 15 8.206 5.726 1.683 1.00 0.18 H new ATOM 0 HE1 PHE A 15 10.584 9.741 3.194 1.00 0.42 H new ATOM 0 HE2 PHE A 15 7.104 7.322 3.155 1.00 0.24 H new ATOM 0 HZ PHE A 15 8.273 8.937 4.257 1.00 0.33 H new ATOM 237 N GLY A 16 11.096 4.741 -2.049 1.00 0.15 N ATOM 238 CA GLY A 16 11.497 3.633 -2.884 1.00 0.15 C ATOM 239 C GLY A 16 12.452 4.063 -3.966 1.00 0.15 C ATOM 240 O GLY A 16 13.579 3.592 -4.041 1.00 0.18 O ATOM 0 H GLY A 16 10.087 4.841 -1.942 1.00 0.15 H new ATOM 0 HA2 GLY A 16 11.967 2.866 -2.269 1.00 0.15 H new ATOM 0 HA3 GLY A 16 10.614 3.182 -3.337 1.00 0.15 H new ATOM 244 N LYS A 17 12.019 4.997 -4.784 1.00 0.18 N ATOM 245 CA LYS A 17 12.795 5.401 -5.928 1.00 0.23 C ATOM 246 C LYS A 17 13.920 6.319 -5.505 1.00 0.28 C ATOM 247 O LYS A 17 14.856 6.543 -6.253 1.00 0.34 O ATOM 248 CB LYS A 17 11.903 6.068 -6.949 1.00 0.28 C ATOM 249 CG LYS A 17 10.590 5.344 -7.130 1.00 0.28 C ATOM 250 CD LYS A 17 10.800 3.878 -7.467 1.00 0.27 C ATOM 251 CE LYS A 17 9.492 3.196 -7.764 1.00 0.90 C ATOM 252 NZ LYS A 17 9.687 1.741 -7.920 1.00 1.24 N ATOM 0 H LYS A 17 11.132 5.489 -4.675 1.00 0.18 H new ATOM 0 HA LYS A 17 13.238 4.517 -6.386 1.00 0.23 H new ATOM 0 HB2 LYS A 17 11.708 7.095 -6.641 1.00 0.28 H new ATOM 0 HB3 LYS A 17 12.423 6.115 -7.906 1.00 0.28 H new ATOM 0 HG2 LYS A 17 10.000 5.427 -6.217 1.00 0.28 H new ATOM 0 HG3 LYS A 17 10.017 5.822 -7.925 1.00 0.28 H new ATOM 0 HD2 LYS A 17 11.462 3.791 -8.328 1.00 0.27 H new ATOM 0 HD3 LYS A 17 11.293 3.377 -6.634 1.00 0.27 H new ATOM 0 HE2 LYS A 17 8.784 3.389 -6.958 1.00 0.90 H new ATOM 0 HE3 LYS A 17 9.059 3.610 -8.675 1.00 0.90 H new ATOM 0 HZ1 LYS A 17 8.763 1.263 -7.904 1.00 1.24 H new ATOM 0 HZ2 LYS A 17 10.160 1.549 -8.826 1.00 1.24 H new ATOM 0 HZ3 LYS A 17 10.275 1.384 -7.140 1.00 1.24 H new ATOM 266 N GLU A 18 13.821 6.848 -4.300 1.00 0.27 N ATOM 267 CA GLU A 18 14.955 7.520 -3.686 1.00 0.34 C ATOM 268 C GLU A 18 16.073 6.509 -3.454 1.00 0.35 C ATOM 269 O GLU A 18 17.243 6.791 -3.703 1.00 0.43 O ATOM 270 CB GLU A 18 14.554 8.188 -2.377 1.00 0.36 C ATOM 271 CG GLU A 18 15.735 8.721 -1.584 1.00 0.53 C ATOM 272 CD GLU A 18 15.321 9.408 -0.304 1.00 1.01 C ATOM 273 OE1 GLU A 18 15.020 10.616 -0.343 1.00 1.47 O ATOM 274 OE2 GLU A 18 15.279 8.740 0.751 1.00 1.55 O ATOM 0 H GLU A 18 12.976 6.827 -3.730 1.00 0.27 H new ATOM 0 HA GLU A 18 15.308 8.302 -4.358 1.00 0.34 H new ATOM 0 HB2 GLU A 18 13.870 9.009 -2.592 1.00 0.36 H new ATOM 0 HB3 GLU A 18 14.009 7.471 -1.764 1.00 0.36 H new ATOM 0 HG2 GLU A 18 16.409 7.897 -1.347 1.00 0.53 H new ATOM 0 HG3 GLU A 18 16.295 9.423 -2.203 1.00 0.53 H new ATOM 281 N SER A 19 15.697 5.320 -2.995 1.00 0.30 N ATOM 282 CA SER A 19 16.634 4.210 -2.894 1.00 0.32 C ATOM 283 C SER A 19 17.166 3.867 -4.277 1.00 0.33 C ATOM 284 O SER A 19 18.360 3.636 -4.460 1.00 0.40 O ATOM 285 CB SER A 19 15.954 2.996 -2.271 1.00 0.29 C ATOM 286 OG SER A 19 15.383 3.315 -1.012 1.00 0.30 O ATOM 0 H SER A 19 14.749 5.101 -2.687 1.00 0.30 H new ATOM 0 HA SER A 19 17.466 4.502 -2.253 1.00 0.32 H new ATOM 0 HB2 SER A 19 15.178 2.627 -2.942 1.00 0.29 H new ATOM 0 HB3 SER A 19 16.680 2.192 -2.150 1.00 0.29 H new ATOM 0 HG SER A 19 14.619 3.915 -1.142 1.00 0.30 H new ATOM 292 N CYS A 20 16.269 3.864 -5.250 1.00 0.30 N ATOM 293 CA CYS A 20 16.631 3.638 -6.640 1.00 0.33 C ATOM 294 C CYS A 20 17.594 4.721 -7.130 1.00 0.39 C ATOM 295 O CYS A 20 18.546 4.441 -7.858 1.00 0.43 O ATOM 296 CB CYS A 20 15.358 3.598 -7.487 1.00 0.32 C ATOM 297 SG CYS A 20 15.458 4.449 -9.081 1.00 1.08 S ATOM 0 H CYS A 20 15.272 4.018 -5.099 1.00 0.30 H new ATOM 0 HA CYS A 20 17.147 2.682 -6.734 1.00 0.33 H new ATOM 0 HB2 CYS A 20 15.094 2.556 -7.667 1.00 0.32 H new ATOM 0 HB3 CYS A 20 14.544 4.038 -6.910 1.00 0.32 H new ATOM 0 HG CYS A 20 15.283 5.725 -8.903 1.00 1.08 H new ATOM 303 N ASN A 21 17.345 5.955 -6.704 1.00 0.44 N ATOM 304 CA ASN A 21 18.207 7.090 -7.024 1.00 0.52 C ATOM 305 C ASN A 21 19.555 6.960 -6.324 1.00 0.58 C ATOM 306 O ASN A 21 20.567 7.478 -6.793 1.00 0.69 O ATOM 307 CB ASN A 21 17.524 8.405 -6.632 1.00 0.55 C ATOM 308 CG ASN A 21 16.485 8.849 -7.649 1.00 0.56 C ATOM 309 OD1 ASN A 21 16.663 8.675 -8.853 1.00 0.83 O ATOM 310 ND2 ASN A 21 15.382 9.407 -7.171 1.00 0.58 N ATOM 0 H ASN A 21 16.540 6.198 -6.127 1.00 0.44 H new ATOM 0 HA ASN A 21 18.382 7.095 -8.100 1.00 0.52 H new ATOM 0 HB2 ASN A 21 17.047 8.287 -5.659 1.00 0.55 H new ATOM 0 HB3 ASN A 21 18.279 9.184 -6.525 1.00 0.55 H new ATOM 0 HD21 ASN A 21 14.645 9.708 -7.809 1.00 0.58 H new ATOM 0 HD22 ASN A 21 15.270 9.535 -6.165 1.00 0.58 H new ATOM 317 N SER A 22 19.558 6.262 -5.196 1.00 0.55 N ATOM 318 CA SER A 22 20.780 6.002 -4.453 1.00 0.63 C ATOM 319 C SER A 22 21.588 4.891 -5.120 1.00 0.63 C ATOM 320 O SER A 22 22.814 4.855 -5.019 1.00 0.76 O ATOM 321 CB SER A 22 20.439 5.631 -3.008 1.00 0.67 C ATOM 322 OG SER A 22 21.604 5.333 -2.258 1.00 1.28 O ATOM 0 H SER A 22 18.719 5.863 -4.774 1.00 0.55 H new ATOM 0 HA SER A 22 21.390 6.905 -4.449 1.00 0.63 H new ATOM 0 HB2 SER A 22 19.903 6.455 -2.537 1.00 0.67 H new ATOM 0 HB3 SER A 22 19.771 4.770 -3.001 1.00 0.67 H new ATOM 0 HG SER A 22 21.352 5.102 -1.340 1.00 1.28 H new ATOM 328 N GLY A 23 20.896 3.992 -5.810 1.00 0.52 N ATOM 329 CA GLY A 23 21.579 2.921 -6.508 1.00 0.57 C ATOM 330 C GLY A 23 20.876 1.588 -6.371 1.00 0.50 C ATOM 331 O GLY A 23 21.386 0.565 -6.827 1.00 0.57 O ATOM 0 H GLY A 23 19.880 3.986 -5.898 1.00 0.52 H new ATOM 0 HA2 GLY A 23 21.661 3.176 -7.565 1.00 0.57 H new ATOM 0 HA3 GLY A 23 22.595 2.832 -6.122 1.00 0.57 H new ATOM 335 N LEU A 24 19.711 1.590 -5.734 1.00 0.41 N ATOM 336 CA LEU A 24 18.926 0.375 -5.589 1.00 0.35 C ATOM 337 C LEU A 24 18.305 -0.012 -6.917 1.00 0.37 C ATOM 338 O LEU A 24 17.423 0.676 -7.435 1.00 0.53 O ATOM 339 CB LEU A 24 17.847 0.550 -4.522 1.00 0.30 C ATOM 340 CG LEU A 24 18.133 -0.134 -3.184 1.00 0.38 C ATOM 341 CD1 LEU A 24 17.703 -1.586 -3.228 1.00 0.44 C ATOM 342 CD2 LEU A 24 19.609 -0.034 -2.848 1.00 0.48 C ATOM 0 H LEU A 24 19.292 2.418 -5.311 1.00 0.41 H new ATOM 0 HA LEU A 24 19.591 -0.427 -5.269 1.00 0.35 H new ATOM 0 HB2 LEU A 24 17.706 1.616 -4.343 1.00 0.30 H new ATOM 0 HB3 LEU A 24 16.906 0.165 -4.914 1.00 0.30 H new ATOM 0 HG LEU A 24 17.561 0.373 -2.407 1.00 0.38 H new ATOM 0 HD11 LEU A 24 17.914 -2.057 -2.268 1.00 0.44 H new ATOM 0 HD12 LEU A 24 16.634 -1.643 -3.433 1.00 0.44 H new ATOM 0 HD13 LEU A 24 18.251 -2.104 -4.015 1.00 0.44 H new ATOM 0 HD21 LEU A 24 19.799 -0.525 -1.893 1.00 0.48 H new ATOM 0 HD22 LEU A 24 20.194 -0.521 -3.629 1.00 0.48 H new ATOM 0 HD23 LEU A 24 19.896 1.015 -2.780 1.00 0.48 H new ATOM 354 N ALA A 25 18.765 -1.131 -7.446 1.00 0.32 N ATOM 355 CA ALA A 25 18.352 -1.589 -8.765 1.00 0.33 C ATOM 356 C ALA A 25 16.936 -2.145 -8.739 1.00 0.31 C ATOM 357 O ALA A 25 16.329 -2.377 -9.784 1.00 0.41 O ATOM 358 CB ALA A 25 19.323 -2.634 -9.282 1.00 0.37 C ATOM 0 H ALA A 25 19.431 -1.746 -6.979 1.00 0.32 H new ATOM 0 HA ALA A 25 18.360 -0.733 -9.439 1.00 0.33 H new ATOM 0 HB1 ALA A 25 19.005 -2.970 -10.269 1.00 0.37 H new ATOM 0 HB2 ALA A 25 20.321 -2.201 -9.350 1.00 0.37 H new ATOM 0 HB3 ALA A 25 19.342 -3.483 -8.599 1.00 0.37 H new ATOM 364 N SER A 26 16.417 -2.347 -7.540 1.00 0.25 N ATOM 365 CA SER A 26 15.086 -2.887 -7.367 1.00 0.22 C ATOM 366 C SER A 26 14.011 -1.861 -7.720 1.00 0.19 C ATOM 367 O SER A 26 13.193 -2.095 -8.605 1.00 0.22 O ATOM 368 CB SER A 26 14.910 -3.370 -5.940 1.00 0.24 C ATOM 369 OG SER A 26 15.231 -2.349 -5.006 1.00 1.04 O ATOM 0 H SER A 26 16.904 -2.142 -6.668 1.00 0.25 H new ATOM 0 HA SER A 26 14.970 -3.728 -8.050 1.00 0.22 H new ATOM 0 HB2 SER A 26 13.881 -3.694 -5.788 1.00 0.24 H new ATOM 0 HB3 SER A 26 15.546 -4.238 -5.766 1.00 0.24 H new ATOM 0 HG SER A 26 14.886 -2.594 -4.122 1.00 1.04 H new ATOM 375 N TYR A 27 14.010 -0.724 -7.021 1.00 0.16 N ATOM 376 CA TYR A 27 13.022 0.322 -7.263 1.00 0.16 C ATOM 377 C TYR A 27 13.250 0.974 -8.621 1.00 0.21 C ATOM 378 O TYR A 27 12.340 1.596 -9.173 1.00 0.26 O ATOM 379 CB TYR A 27 13.074 1.379 -6.153 1.00 0.15 C ATOM 380 CG TYR A 27 13.191 0.777 -4.774 1.00 0.14 C ATOM 381 CD1 TYR A 27 12.092 0.195 -4.152 1.00 0.14 C ATOM 382 CD2 TYR A 27 14.395 0.810 -4.082 1.00 0.18 C ATOM 383 CE1 TYR A 27 12.198 -0.332 -2.879 1.00 0.17 C ATOM 384 CE2 TYR A 27 14.504 0.289 -2.808 1.00 0.22 C ATOM 385 CZ TYR A 27 13.410 -0.387 -2.260 1.00 0.21 C ATOM 386 OH TYR A 27 13.496 -0.791 -0.941 1.00 0.27 O ATOM 0 H TYR A 27 14.682 -0.507 -6.285 1.00 0.16 H new ATOM 0 HA TYR A 27 12.034 -0.138 -7.261 1.00 0.16 H new ATOM 0 HB2 TYR A 27 13.922 2.041 -6.328 1.00 0.15 H new ATOM 0 HB3 TYR A 27 12.175 1.993 -6.201 1.00 0.15 H new ATOM 0 HD1 TYR A 27 11.145 0.154 -4.670 1.00 0.14 H new ATOM 0 HD2 TYR A 27 15.263 1.252 -4.550 1.00 0.18 H new ATOM 0 HE1 TYR A 27 11.318 -0.701 -2.374 1.00 0.17 H new ATOM 0 HE2 TYR A 27 15.419 0.402 -2.245 1.00 0.22 H new ATOM 0 HH TYR A 27 14.433 -0.774 -0.654 1.00 0.27 H new ATOM 396 N CYS A 28 14.461 0.813 -9.146 1.00 0.25 N ATOM 397 CA CYS A 28 14.838 1.383 -10.433 1.00 0.31 C ATOM 398 C CYS A 28 14.033 0.748 -11.564 1.00 0.41 C ATOM 399 O CYS A 28 14.168 -0.444 -11.839 1.00 0.48 O ATOM 400 CB CYS A 28 16.340 1.189 -10.672 1.00 0.35 C ATOM 401 SG CYS A 28 16.923 1.765 -12.283 1.00 0.81 S ATOM 0 H CYS A 28 15.206 0.285 -8.692 1.00 0.25 H new ATOM 0 HA CYS A 28 14.617 2.450 -10.418 1.00 0.31 H new ATOM 0 HB2 CYS A 28 16.890 1.715 -9.891 1.00 0.35 H new ATOM 0 HB3 CYS A 28 16.577 0.130 -10.571 1.00 0.35 H new ATOM 0 HG CYS A 28 18.202 1.557 -12.381 1.00 0.81 H new ATOM 407 N GLY A 29 13.185 1.546 -12.202 1.00 0.50 N ATOM 408 CA GLY A 29 12.353 1.042 -13.282 1.00 0.65 C ATOM 409 C GLY A 29 11.172 0.246 -12.764 1.00 0.57 C ATOM 410 O GLY A 29 10.427 -0.359 -13.534 1.00 0.74 O ATOM 0 H GLY A 29 13.057 2.536 -11.991 1.00 0.50 H new ATOM 0 HA2 GLY A 29 11.992 1.877 -13.882 1.00 0.65 H new ATOM 0 HA3 GLY A 29 12.954 0.413 -13.939 1.00 0.65 H new ATOM 414 N ALA A 30 11.000 0.259 -11.456 1.00 0.43 N ATOM 415 CA ALA A 30 9.944 -0.495 -10.812 1.00 0.35 C ATOM 416 C ALA A 30 8.778 0.405 -10.436 1.00 0.30 C ATOM 417 O ALA A 30 8.898 1.624 -10.417 1.00 0.41 O ATOM 418 CB ALA A 30 10.484 -1.185 -9.568 1.00 0.33 C ATOM 0 H ALA A 30 11.586 0.791 -10.813 1.00 0.43 H new ATOM 0 HA ALA A 30 9.584 -1.244 -11.517 1.00 0.35 H new ATOM 0 HB1 ALA A 30 9.684 -1.750 -9.089 1.00 0.33 H new ATOM 0 HB2 ALA A 30 11.290 -1.863 -9.849 1.00 0.33 H new ATOM 0 HB3 ALA A 30 10.866 -0.437 -8.873 1.00 0.33 H new ATOM 424 N ALA A 31 7.659 -0.214 -10.136 1.00 0.24 N ATOM 425 CA ALA A 31 6.517 0.452 -9.551 1.00 0.19 C ATOM 426 C ALA A 31 6.551 0.183 -8.064 1.00 0.18 C ATOM 427 O ALA A 31 6.840 -0.928 -7.678 1.00 0.30 O ATOM 428 CB ALA A 31 5.246 -0.097 -10.160 1.00 0.19 C ATOM 0 H ALA A 31 7.514 -1.211 -10.294 1.00 0.24 H new ATOM 0 HA ALA A 31 6.547 1.525 -9.740 1.00 0.19 H new ATOM 0 HB1 ALA A 31 4.385 0.405 -9.719 1.00 0.19 H new ATOM 0 HB2 ALA A 31 5.254 0.075 -11.236 1.00 0.19 H new ATOM 0 HB3 ALA A 31 5.182 -1.167 -9.964 1.00 0.19 H new ATOM 434 N ILE A 32 6.330 1.173 -7.222 1.00 0.14 N ATOM 435 CA ILE A 32 6.306 0.913 -5.795 1.00 0.13 C ATOM 436 C ILE A 32 4.954 1.271 -5.214 1.00 0.13 C ATOM 437 O ILE A 32 4.357 2.283 -5.577 1.00 0.21 O ATOM 438 CB ILE A 32 7.442 1.637 -5.035 1.00 0.13 C ATOM 439 CG1 ILE A 32 7.502 1.149 -3.592 1.00 0.13 C ATOM 440 CG2 ILE A 32 7.244 3.130 -5.077 1.00 0.15 C ATOM 441 CD1 ILE A 32 8.870 1.281 -2.967 1.00 0.15 C ATOM 0 H ILE A 32 6.168 2.143 -7.491 1.00 0.14 H new ATOM 0 HA ILE A 32 6.477 -0.155 -5.664 1.00 0.13 H new ATOM 0 HB ILE A 32 8.388 1.405 -5.524 1.00 0.13 H new ATOM 0 HG12 ILE A 32 6.783 1.712 -2.996 1.00 0.13 H new ATOM 0 HG13 ILE A 32 7.195 0.104 -3.557 1.00 0.13 H new ATOM 0 HG21 ILE A 32 8.054 3.620 -4.537 1.00 0.15 H new ATOM 0 HG22 ILE A 32 7.243 3.468 -6.113 1.00 0.15 H new ATOM 0 HG23 ILE A 32 6.292 3.384 -4.612 1.00 0.15 H new ATOM 0 HD11 ILE A 32 8.838 0.915 -1.941 1.00 0.15 H new ATOM 0 HD12 ILE A 32 9.589 0.695 -3.539 1.00 0.15 H new ATOM 0 HD13 ILE A 32 9.172 2.328 -2.969 1.00 0.15 H new ATOM 453 N TYR A 33 4.466 0.413 -4.341 1.00 0.10 N ATOM 454 CA TYR A 33 3.126 0.548 -3.810 1.00 0.10 C ATOM 455 C TYR A 33 3.122 0.469 -2.299 1.00 0.09 C ATOM 456 O TYR A 33 4.033 -0.093 -1.686 1.00 0.09 O ATOM 457 CB TYR A 33 2.232 -0.545 -4.377 1.00 0.10 C ATOM 458 CG TYR A 33 2.212 -0.580 -5.881 1.00 0.12 C ATOM 459 CD1 TYR A 33 1.440 0.317 -6.598 1.00 0.16 C ATOM 460 CD2 TYR A 33 2.968 -1.511 -6.583 1.00 0.13 C ATOM 461 CE1 TYR A 33 1.422 0.300 -7.973 1.00 0.19 C ATOM 462 CE2 TYR A 33 2.952 -1.538 -7.965 1.00 0.16 C ATOM 463 CZ TYR A 33 2.174 -0.663 -8.655 1.00 0.19 C ATOM 464 OH TYR A 33 2.167 -0.639 -10.031 1.00 0.24 O ATOM 0 H TYR A 33 4.982 -0.390 -3.983 1.00 0.10 H new ATOM 0 HA TYR A 33 2.746 1.527 -4.104 1.00 0.10 H new ATOM 0 HB2 TYR A 33 2.570 -1.511 -4.003 1.00 0.10 H new ATOM 0 HB3 TYR A 33 1.216 -0.399 -4.011 1.00 0.10 H new ATOM 0 HD1 TYR A 33 0.841 1.043 -6.069 1.00 0.16 H new ATOM 0 HD2 TYR A 33 3.575 -2.222 -6.042 1.00 0.13 H new ATOM 0 HE1 TYR A 33 0.834 1.022 -8.520 1.00 0.19 H new ATOM 0 HE2 TYR A 33 3.559 -2.256 -8.497 1.00 0.16 H new ATOM 0 HH TYR A 33 2.419 -1.521 -10.375 1.00 0.24 H new ATOM 474 N ALA A 34 2.092 1.045 -1.712 1.00 0.11 N ATOM 475 CA ALA A 34 1.889 0.988 -0.283 1.00 0.11 C ATOM 476 C ALA A 34 1.056 -0.214 0.068 1.00 0.10 C ATOM 477 O ALA A 34 -0.117 -0.288 -0.294 1.00 0.14 O ATOM 478 CB ALA A 34 1.188 2.231 0.207 1.00 0.12 C ATOM 0 H ALA A 34 1.373 1.565 -2.215 1.00 0.11 H new ATOM 0 HA ALA A 34 2.865 0.917 0.196 1.00 0.11 H new ATOM 0 HB1 ALA A 34 1.045 2.167 1.286 1.00 0.12 H new ATOM 0 HB2 ALA A 34 1.793 3.107 -0.028 1.00 0.12 H new ATOM 0 HB3 ALA A 34 0.218 2.319 -0.283 1.00 0.12 H new ATOM 484 N ARG A 35 1.645 -1.161 0.750 1.00 0.09 N ATOM 485 CA ARG A 35 0.889 -2.302 1.181 1.00 0.09 C ATOM 486 C ARG A 35 1.092 -2.531 2.667 1.00 0.08 C ATOM 487 O ARG A 35 2.213 -2.746 3.126 1.00 0.08 O ATOM 488 CB ARG A 35 1.254 -3.548 0.363 1.00 0.10 C ATOM 489 CG ARG A 35 0.062 -4.448 0.108 1.00 0.12 C ATOM 490 CD ARG A 35 -1.006 -3.717 -0.694 1.00 0.16 C ATOM 491 NE ARG A 35 -0.488 -3.244 -1.985 1.00 0.19 N ATOM 492 CZ ARG A 35 -1.216 -2.608 -2.901 1.00 0.39 C ATOM 493 NH1 ARG A 35 -2.504 -2.384 -2.704 1.00 0.62 N ATOM 494 NH2 ARG A 35 -0.652 -2.202 -4.032 1.00 0.40 N ATOM 0 H ARG A 35 2.630 -1.165 1.015 1.00 0.09 H new ATOM 0 HA ARG A 35 -0.169 -2.104 1.009 1.00 0.09 H new ATOM 0 HB2 ARG A 35 1.682 -3.239 -0.591 1.00 0.10 H new ATOM 0 HB3 ARG A 35 2.024 -4.112 0.890 1.00 0.10 H new ATOM 0 HG2 ARG A 35 0.382 -5.339 -0.432 1.00 0.12 H new ATOM 0 HG3 ARG A 35 -0.356 -4.783 1.057 1.00 0.12 H new ATOM 0 HD2 ARG A 35 -1.853 -4.382 -0.863 1.00 0.16 H new ATOM 0 HD3 ARG A 35 -1.377 -2.869 -0.118 1.00 0.16 H new ATOM 0 HE ARG A 35 0.496 -3.414 -2.194 1.00 0.19 H new ATOM 0 HH11 ARG A 35 -2.951 -2.699 -1.843 1.00 0.62 H new ATOM 0 HH12 ARG A 35 -3.051 -1.896 -3.413 1.00 0.62 H new ATOM 0 HH21 ARG A 35 0.339 -2.377 -4.199 1.00 0.40 H new ATOM 0 HH22 ARG A 35 -1.209 -1.715 -4.734 1.00 0.40 H new ATOM 508 N TYR A 36 0.003 -2.425 3.412 1.00 0.10 N ATOM 509 CA TYR A 36 -0.005 -2.755 4.822 1.00 0.11 C ATOM 510 C TYR A 36 0.035 -4.263 4.933 1.00 0.14 C ATOM 511 O TYR A 36 -0.988 -4.911 5.145 1.00 0.19 O ATOM 512 CB TYR A 36 -1.269 -2.221 5.499 1.00 0.14 C ATOM 513 CG TYR A 36 -1.197 -2.275 6.999 1.00 0.14 C ATOM 514 CD1 TYR A 36 -0.495 -1.329 7.733 1.00 0.13 C ATOM 515 CD2 TYR A 36 -1.854 -3.276 7.680 1.00 0.20 C ATOM 516 CE1 TYR A 36 -0.454 -1.392 9.111 1.00 0.15 C ATOM 517 CE2 TYR A 36 -1.825 -3.350 9.050 1.00 0.21 C ATOM 518 CZ TYR A 36 -1.006 -2.342 9.765 1.00 0.18 C ATOM 519 OH TYR A 36 -1.088 -2.481 11.141 1.00 0.20 O ATOM 0 H TYR A 36 -0.898 -2.108 3.053 1.00 0.10 H new ATOM 0 HA TYR A 36 0.853 -2.301 5.317 1.00 0.11 H new ATOM 0 HB2 TYR A 36 -1.435 -1.190 5.185 1.00 0.14 H new ATOM 0 HB3 TYR A 36 -2.128 -2.800 5.161 1.00 0.14 H new ATOM 0 HD1 TYR A 36 0.025 -0.534 7.220 1.00 0.13 H new ATOM 0 HD2 TYR A 36 -2.405 -4.020 7.123 1.00 0.20 H new ATOM 0 HE1 TYR A 36 0.061 -0.614 9.655 1.00 0.15 H new ATOM 0 HE2 TYR A 36 -2.375 -4.110 9.585 1.00 0.21 H new ATOM 0 HH TYR A 36 -1.569 -3.307 11.358 1.00 0.20 H new ATOM 529 N ASP A 37 1.211 -4.819 4.745 1.00 0.13 N ATOM 530 CA ASP A 37 1.362 -6.256 4.667 1.00 0.17 C ATOM 531 C ASP A 37 2.649 -6.687 5.334 1.00 0.17 C ATOM 532 O ASP A 37 3.371 -5.867 5.906 1.00 0.16 O ATOM 533 CB ASP A 37 1.342 -6.751 3.212 1.00 0.19 C ATOM 534 CG ASP A 37 0.571 -8.051 3.073 1.00 0.47 C ATOM 535 OD1 ASP A 37 1.053 -9.087 3.570 1.00 0.72 O ATOM 536 OD2 ASP A 37 -0.526 -8.037 2.471 1.00 0.63 O ATOM 0 H ASP A 37 2.081 -4.296 4.643 1.00 0.13 H new ATOM 0 HA ASP A 37 0.515 -6.702 5.188 1.00 0.17 H new ATOM 0 HB2 ASP A 37 0.891 -5.990 2.575 1.00 0.19 H new ATOM 0 HB3 ASP A 37 2.364 -6.895 2.862 1.00 0.19 H new ATOM 541 N LYS A 38 2.922 -7.969 5.264 1.00 0.24 N ATOM 542 CA LYS A 38 4.103 -8.536 5.844 1.00 0.27 C ATOM 543 C LYS A 38 5.319 -8.175 5.004 1.00 0.26 C ATOM 544 O LYS A 38 5.196 -7.831 3.838 1.00 0.24 O ATOM 545 CB LYS A 38 3.908 -10.045 5.920 1.00 0.35 C ATOM 546 CG LYS A 38 4.815 -10.728 6.901 1.00 0.73 C ATOM 547 CD LYS A 38 6.105 -11.158 6.244 1.00 1.05 C ATOM 548 CE LYS A 38 5.882 -12.313 5.291 1.00 0.94 C ATOM 549 NZ LYS A 38 7.152 -12.790 4.698 1.00 1.74 N ATOM 0 H LYS A 38 2.321 -8.648 4.797 1.00 0.24 H new ATOM 0 HA LYS A 38 4.272 -8.141 6.846 1.00 0.27 H new ATOM 0 HB2 LYS A 38 2.873 -10.254 6.191 1.00 0.35 H new ATOM 0 HB3 LYS A 38 4.071 -10.473 4.931 1.00 0.35 H new ATOM 0 HG2 LYS A 38 5.033 -10.054 7.729 1.00 0.73 H new ATOM 0 HG3 LYS A 38 4.311 -11.598 7.322 1.00 0.73 H new ATOM 0 HD2 LYS A 38 6.538 -10.316 5.703 1.00 1.05 H new ATOM 0 HD3 LYS A 38 6.825 -11.449 7.009 1.00 1.05 H new ATOM 0 HE2 LYS A 38 5.398 -13.133 5.821 1.00 0.94 H new ATOM 0 HE3 LYS A 38 5.204 -12.003 4.496 1.00 0.94 H new ATOM 0 HZ1 LYS A 38 6.954 -13.280 3.802 1.00 1.74 H new ATOM 0 HZ2 LYS A 38 7.778 -11.979 4.518 1.00 1.74 H new ATOM 0 HZ3 LYS A 38 7.617 -13.447 5.356 1.00 1.74 H new ATOM 563 N GLY A 39 6.484 -8.228 5.614 1.00 0.34 N ATOM 564 CA GLY A 39 7.707 -7.888 4.907 1.00 0.39 C ATOM 565 C GLY A 39 8.572 -9.101 4.618 1.00 0.38 C ATOM 566 O GLY A 39 8.127 -10.064 3.989 1.00 0.40 O ATOM 0 H GLY A 39 6.613 -8.500 6.588 1.00 0.34 H new ATOM 0 HA2 GLY A 39 7.454 -7.395 3.968 1.00 0.39 H new ATOM 0 HA3 GLY A 39 8.278 -7.173 5.499 1.00 0.39 H new ATOM 570 N ASN A 40 9.812 -9.062 5.080 1.00 0.42 N ATOM 571 CA ASN A 40 10.731 -10.176 4.885 1.00 0.46 C ATOM 572 C ASN A 40 10.534 -11.193 6.013 1.00 0.45 C ATOM 573 O ASN A 40 9.594 -11.060 6.798 1.00 0.42 O ATOM 574 CB ASN A 40 12.181 -9.669 4.828 1.00 0.56 C ATOM 575 CG ASN A 40 13.119 -10.655 4.156 1.00 0.82 C ATOM 576 OD1 ASN A 40 13.724 -11.502 4.811 1.00 0.89 O ATOM 577 ND2 ASN A 40 13.237 -10.557 2.842 1.00 1.69 N ATOM 0 H ASN A 40 10.206 -8.273 5.592 1.00 0.42 H new ATOM 0 HA ASN A 40 10.521 -10.667 3.935 1.00 0.46 H new ATOM 0 HB2 ASN A 40 12.210 -8.722 4.290 1.00 0.56 H new ATOM 0 HB3 ASN A 40 12.533 -9.471 5.841 1.00 0.56 H new ATOM 0 HD21 ASN A 40 13.847 -11.198 2.336 1.00 1.69 H new ATOM 0 HD22 ASN A 40 12.718 -9.840 2.335 1.00 1.69 H new ATOM 584 N SER A 41 11.399 -12.196 6.095 1.00 0.57 N ATOM 585 CA SER A 41 11.247 -13.273 7.067 1.00 0.65 C ATOM 586 C SER A 41 11.188 -12.743 8.505 1.00 0.63 C ATOM 587 O SER A 41 10.230 -13.011 9.229 1.00 0.75 O ATOM 588 CB SER A 41 12.397 -14.267 6.909 1.00 0.94 C ATOM 589 OG SER A 41 12.512 -14.683 5.556 1.00 1.58 O ATOM 0 H SER A 41 12.219 -12.287 5.496 1.00 0.57 H new ATOM 0 HA SER A 41 10.299 -13.775 6.873 1.00 0.65 H new ATOM 0 HB2 SER A 41 13.330 -13.808 7.235 1.00 0.94 H new ATOM 0 HB3 SER A 41 12.228 -15.133 7.549 1.00 0.94 H new ATOM 0 HG SER A 41 13.254 -15.318 5.471 1.00 1.58 H new ATOM 595 N SER A 42 12.192 -11.967 8.894 1.00 0.70 N ATOM 596 CA SER A 42 12.271 -11.420 10.247 1.00 0.85 C ATOM 597 C SER A 42 11.375 -10.189 10.388 1.00 0.84 C ATOM 598 O SER A 42 11.196 -9.651 11.478 1.00 1.07 O ATOM 599 CB SER A 42 13.722 -11.052 10.565 1.00 1.03 C ATOM 600 OG SER A 42 14.604 -12.099 10.189 1.00 1.61 O ATOM 0 H SER A 42 12.968 -11.700 8.289 1.00 0.70 H new ATOM 0 HA SER A 42 11.924 -12.176 10.952 1.00 0.85 H new ATOM 0 HB2 SER A 42 13.993 -10.136 10.039 1.00 1.03 H new ATOM 0 HB3 SER A 42 13.825 -10.850 11.631 1.00 1.03 H new ATOM 0 HG SER A 42 15.526 -11.842 10.400 1.00 1.61 H new ATOM 606 N GLN A 43 10.824 -9.755 9.267 1.00 0.71 N ATOM 607 CA GLN A 43 10.029 -8.538 9.203 1.00 0.85 C ATOM 608 C GLN A 43 8.546 -8.855 9.058 1.00 0.89 C ATOM 609 O GLN A 43 7.816 -8.124 8.384 1.00 1.47 O ATOM 610 CB GLN A 43 10.501 -7.649 8.048 1.00 0.90 C ATOM 611 CG GLN A 43 11.904 -7.096 8.241 1.00 1.37 C ATOM 612 CD GLN A 43 12.010 -6.192 9.455 1.00 1.82 C ATOM 613 OE1 GLN A 43 12.292 -6.649 10.560 1.00 2.47 O ATOM 614 NE2 GLN A 43 11.799 -4.900 9.253 1.00 2.27 N ATOM 0 H GLN A 43 10.915 -10.237 8.373 1.00 0.71 H new ATOM 0 HA GLN A 43 10.167 -7.998 10.140 1.00 0.85 H new ATOM 0 HB2 GLN A 43 10.470 -8.223 7.122 1.00 0.90 H new ATOM 0 HB3 GLN A 43 9.805 -6.818 7.932 1.00 0.90 H new ATOM 0 HG2 GLN A 43 12.606 -7.923 8.346 1.00 1.37 H new ATOM 0 HG3 GLN A 43 12.197 -6.540 7.351 1.00 1.37 H new ATOM 0 HE21 GLN A 43 11.567 -4.561 8.319 1.00 2.27 H new ATOM 0 HE22 GLN A 43 11.869 -4.244 10.031 1.00 2.27 H new ATOM 623 N GLN A 44 8.109 -9.983 9.617 1.00 0.61 N ATOM 624 CA GLN A 44 6.716 -10.396 9.484 1.00 0.58 C ATOM 625 C GLN A 44 5.754 -9.397 10.152 1.00 0.65 C ATOM 626 O GLN A 44 6.177 -8.327 10.584 1.00 1.34 O ATOM 627 CB GLN A 44 6.476 -11.809 10.020 1.00 0.63 C ATOM 628 CG GLN A 44 6.629 -11.966 11.519 1.00 1.03 C ATOM 629 CD GLN A 44 8.072 -12.102 11.950 1.00 1.58 C ATOM 630 OE1 GLN A 44 8.733 -11.124 12.287 1.00 2.07 O ATOM 631 NE2 GLN A 44 8.569 -13.322 11.916 1.00 2.18 N ATOM 0 H GLN A 44 8.693 -10.619 10.160 1.00 0.61 H new ATOM 0 HA GLN A 44 6.505 -10.407 8.415 1.00 0.58 H new ATOM 0 HB2 GLN A 44 5.470 -12.121 9.739 1.00 0.63 H new ATOM 0 HB3 GLN A 44 7.170 -12.490 9.527 1.00 0.63 H new ATOM 0 HG2 GLN A 44 6.186 -11.104 12.017 1.00 1.03 H new ATOM 0 HG3 GLN A 44 6.073 -12.844 11.846 1.00 1.03 H new ATOM 0 HE21 GLN A 44 7.981 -14.104 11.629 1.00 2.18 H new ATOM 0 HE22 GLN A 44 9.542 -13.484 12.177 1.00 2.18 H new ATOM 640 N THR A 45 4.464 -9.773 10.223 1.00 0.27 N ATOM 641 CA THR A 45 3.364 -8.911 10.694 1.00 0.30 C ATOM 642 C THR A 45 3.184 -7.690 9.789 1.00 0.25 C ATOM 643 O THR A 45 4.155 -7.105 9.306 1.00 0.35 O ATOM 644 CB THR A 45 3.487 -8.479 12.181 1.00 0.47 C ATOM 645 OG1 THR A 45 4.646 -7.672 12.419 1.00 0.57 O ATOM 646 CG2 THR A 45 3.520 -9.699 13.085 1.00 0.59 C ATOM 0 H THR A 45 4.150 -10.704 9.949 1.00 0.27 H new ATOM 0 HA THR A 45 2.470 -9.532 10.635 1.00 0.30 H new ATOM 0 HB THR A 45 2.609 -7.874 12.410 1.00 0.47 H new ATOM 0 HG1 THR A 45 5.108 -7.505 11.571 1.00 0.57 H new ATOM 0 HG21 THR A 45 3.606 -9.380 14.124 1.00 0.59 H new ATOM 0 HG22 THR A 45 2.602 -10.272 12.957 1.00 0.59 H new ATOM 0 HG23 THR A 45 4.376 -10.322 12.824 1.00 0.59 H new ATOM 654 N LYS A 46 1.933 -7.328 9.531 1.00 0.21 N ATOM 655 CA LYS A 46 1.649 -6.266 8.576 1.00 0.18 C ATOM 656 C LYS A 46 1.845 -4.885 9.178 1.00 0.17 C ATOM 657 O LYS A 46 1.358 -4.588 10.269 1.00 0.21 O ATOM 658 CB LYS A 46 0.229 -6.352 8.026 1.00 0.20 C ATOM 659 CG LYS A 46 -0.126 -7.688 7.408 1.00 0.23 C ATOM 660 CD LYS A 46 -1.294 -7.551 6.445 1.00 0.24 C ATOM 661 CE LYS A 46 -1.986 -8.880 6.224 1.00 0.34 C ATOM 662 NZ LYS A 46 -3.176 -8.750 5.340 1.00 0.55 N ATOM 0 H LYS A 46 1.110 -7.748 9.963 1.00 0.21 H new ATOM 0 HA LYS A 46 2.362 -6.411 7.764 1.00 0.18 H new ATOM 0 HB2 LYS A 46 -0.473 -6.141 8.833 1.00 0.20 H new ATOM 0 HB3 LYS A 46 0.096 -5.572 7.276 1.00 0.20 H new ATOM 0 HG2 LYS A 46 0.739 -8.090 6.881 1.00 0.23 H new ATOM 0 HG3 LYS A 46 -0.380 -8.400 8.193 1.00 0.23 H new ATOM 0 HD2 LYS A 46 -2.009 -6.828 6.838 1.00 0.24 H new ATOM 0 HD3 LYS A 46 -0.938 -7.161 5.491 1.00 0.24 H new ATOM 0 HE2 LYS A 46 -1.282 -9.586 5.783 1.00 0.34 H new ATOM 0 HE3 LYS A 46 -2.292 -9.293 7.185 1.00 0.34 H new ATOM 0 HZ1 LYS A 46 -3.619 -9.682 5.215 1.00 0.55 H new ATOM 0 HZ2 LYS A 46 -3.860 -8.096 5.772 1.00 0.55 H new ATOM 0 HZ3 LYS A 46 -2.882 -8.380 4.414 1.00 0.55 H new ATOM 676 N GLU A 47 2.565 -4.062 8.445 1.00 0.13 N ATOM 677 CA GLU A 47 2.671 -2.635 8.711 1.00 0.14 C ATOM 678 C GLU A 47 2.782 -1.928 7.397 1.00 0.11 C ATOM 679 O GLU A 47 3.150 -2.532 6.388 1.00 0.12 O ATOM 680 CB GLU A 47 3.889 -2.285 9.559 1.00 0.18 C ATOM 681 CG GLU A 47 3.664 -2.388 11.043 1.00 0.32 C ATOM 682 CD GLU A 47 4.967 -2.440 11.817 1.00 0.33 C ATOM 683 OE1 GLU A 47 5.797 -3.327 11.531 1.00 0.47 O ATOM 684 OE2 GLU A 47 5.168 -1.595 12.718 1.00 0.64 O ATOM 0 H GLU A 47 3.103 -4.366 7.634 1.00 0.13 H new ATOM 0 HA GLU A 47 1.787 -2.327 9.269 1.00 0.14 H new ATOM 0 HB2 GLU A 47 4.711 -2.945 9.282 1.00 0.18 H new ATOM 0 HB3 GLU A 47 4.202 -1.268 9.321 1.00 0.18 H new ATOM 0 HG2 GLU A 47 3.077 -1.534 11.380 1.00 0.32 H new ATOM 0 HG3 GLU A 47 3.079 -3.282 11.259 1.00 0.32 H new ATOM 691 N TRP A 48 2.438 -0.666 7.403 1.00 0.11 N ATOM 692 CA TRP A 48 2.553 0.134 6.215 1.00 0.11 C ATOM 693 C TRP A 48 3.993 0.221 5.758 1.00 0.10 C ATOM 694 O TRP A 48 4.835 0.807 6.426 1.00 0.12 O ATOM 695 CB TRP A 48 2.042 1.527 6.454 1.00 0.12 C ATOM 696 CG TRP A 48 0.569 1.663 6.353 1.00 0.12 C ATOM 697 CD1 TRP A 48 -0.263 2.116 7.319 1.00 0.13 C ATOM 698 CD2 TRP A 48 -0.240 1.363 5.213 1.00 0.12 C ATOM 699 NE1 TRP A 48 -1.558 2.127 6.849 1.00 0.13 N ATOM 700 CE2 TRP A 48 -1.567 1.658 5.555 1.00 0.12 C ATOM 701 CE3 TRP A 48 0.037 0.870 3.935 1.00 0.12 C ATOM 702 CZ2 TRP A 48 -2.623 1.481 4.657 1.00 0.13 C ATOM 703 CZ3 TRP A 48 -1.007 0.692 3.049 1.00 0.13 C ATOM 704 CH2 TRP A 48 -2.320 0.996 3.413 1.00 0.14 C ATOM 0 H TRP A 48 2.076 -0.172 8.218 1.00 0.11 H new ATOM 0 HA TRP A 48 1.953 -0.349 5.443 1.00 0.11 H new ATOM 0 HB2 TRP A 48 2.358 1.852 7.445 1.00 0.12 H new ATOM 0 HB3 TRP A 48 2.507 2.200 5.734 1.00 0.12 H new ATOM 0 HD1 TRP A 48 0.042 2.423 8.309 1.00 0.13 H new ATOM 0 HE1 TRP A 48 -2.377 2.433 7.375 1.00 0.13 H new ATOM 0 HE3 TRP A 48 1.050 0.632 3.645 1.00 0.12 H new ATOM 0 HZ2 TRP A 48 -3.640 1.718 4.934 1.00 0.13 H new ATOM 0 HZ3 TRP A 48 -0.805 0.312 2.059 1.00 0.13 H new ATOM 0 HH2 TRP A 48 -3.115 0.845 2.697 1.00 0.14 H new ATOM 715 N ARG A 49 4.276 -0.347 4.620 1.00 0.11 N ATOM 716 CA ARG A 49 5.615 -0.324 4.089 1.00 0.13 C ATOM 717 C ARG A 49 5.552 -0.047 2.601 1.00 0.11 C ATOM 718 O ARG A 49 4.470 -0.059 2.011 1.00 0.13 O ATOM 719 CB ARG A 49 6.300 -1.666 4.380 1.00 0.15 C ATOM 720 CG ARG A 49 6.518 -1.916 5.867 1.00 0.21 C ATOM 721 CD ARG A 49 6.592 -3.397 6.191 1.00 0.31 C ATOM 722 NE ARG A 49 6.404 -3.664 7.620 1.00 0.51 N ATOM 723 CZ ARG A 49 6.391 -4.881 8.155 1.00 0.30 C ATOM 724 NH1 ARG A 49 6.498 -5.942 7.379 1.00 0.82 N ATOM 725 NH2 ARG A 49 6.244 -5.042 9.467 1.00 0.45 N ATOM 0 H ARG A 49 3.595 -0.835 4.037 1.00 0.11 H new ATOM 0 HA ARG A 49 6.200 0.465 4.562 1.00 0.13 H new ATOM 0 HB2 ARG A 49 5.695 -2.473 3.967 1.00 0.15 H new ATOM 0 HB3 ARG A 49 7.262 -1.695 3.868 1.00 0.15 H new ATOM 0 HG2 ARG A 49 7.440 -1.429 6.185 1.00 0.21 H new ATOM 0 HG3 ARG A 49 5.706 -1.461 6.434 1.00 0.21 H new ATOM 0 HD2 ARG A 49 5.831 -3.930 5.621 1.00 0.31 H new ATOM 0 HD3 ARG A 49 7.559 -3.788 5.875 1.00 0.31 H new ATOM 0 HE ARG A 49 6.275 -2.866 8.243 1.00 0.51 H new ATOM 0 HH11 ARG A 49 6.591 -5.828 6.370 1.00 0.82 H new ATOM 0 HH12 ARG A 49 6.488 -6.876 7.788 1.00 0.82 H new ATOM 0 HH21 ARG A 49 6.140 -4.228 10.072 1.00 0.45 H new ATOM 0 HH22 ARG A 49 6.235 -5.980 9.868 1.00 0.45 H new ATOM 739 N CYS A 50 6.693 0.194 1.993 1.00 0.11 N ATOM 740 CA CYS A 50 6.727 0.367 0.562 1.00 0.11 C ATOM 741 C CYS A 50 7.169 -0.935 -0.029 1.00 0.11 C ATOM 742 O CYS A 50 8.233 -1.434 0.300 1.00 0.17 O ATOM 743 CB CYS A 50 7.731 1.436 0.130 1.00 0.19 C ATOM 744 SG CYS A 50 7.566 3.037 0.917 1.00 1.13 S ATOM 0 H CYS A 50 7.596 0.273 2.461 1.00 0.11 H new ATOM 0 HA CYS A 50 5.737 0.677 0.226 1.00 0.11 H new ATOM 0 HB2 CYS A 50 8.736 1.061 0.323 1.00 0.19 H new ATOM 0 HB3 CYS A 50 7.644 1.573 -0.948 1.00 0.19 H new ATOM 0 HG CYS A 50 8.745 3.551 1.106 1.00 1.13 H new ATOM 750 N TYR A 51 6.353 -1.478 -0.885 1.00 0.10 N ATOM 751 CA TYR A 51 6.695 -2.679 -1.589 1.00 0.11 C ATOM 752 C TYR A 51 6.618 -2.384 -3.062 1.00 0.10 C ATOM 753 O TYR A 51 5.563 -1.994 -3.563 1.00 0.11 O ATOM 754 CB TYR A 51 5.735 -3.808 -1.240 1.00 0.11 C ATOM 755 CG TYR A 51 5.706 -4.177 0.212 1.00 0.12 C ATOM 756 CD1 TYR A 51 6.870 -4.458 0.905 1.00 0.14 C ATOM 757 CD2 TYR A 51 4.504 -4.256 0.882 1.00 0.14 C ATOM 758 CE1 TYR A 51 6.836 -4.805 2.238 1.00 0.16 C ATOM 759 CE2 TYR A 51 4.456 -4.600 2.218 1.00 0.16 C ATOM 760 CZ TYR A 51 5.627 -4.873 2.889 1.00 0.16 C ATOM 761 OH TYR A 51 5.591 -5.217 4.216 1.00 0.20 O ATOM 0 H TYR A 51 5.433 -1.101 -1.114 1.00 0.10 H new ATOM 0 HA TYR A 51 7.698 -2.998 -1.307 1.00 0.11 H new ATOM 0 HB2 TYR A 51 4.730 -3.521 -1.548 1.00 0.11 H new ATOM 0 HB3 TYR A 51 6.006 -4.690 -1.820 1.00 0.11 H new ATOM 0 HD1 TYR A 51 7.820 -4.405 0.393 1.00 0.14 H new ATOM 0 HD2 TYR A 51 3.586 -4.046 0.354 1.00 0.14 H new ATOM 0 HE1 TYR A 51 7.752 -5.022 2.767 1.00 0.16 H new ATOM 0 HE2 TYR A 51 3.508 -4.655 2.733 1.00 0.16 H new ATOM 0 HH TYR A 51 4.659 -5.282 4.512 1.00 0.20 H new ATOM 771 N ILE A 52 7.725 -2.504 -3.758 1.00 0.11 N ATOM 772 CA ILE A 52 7.674 -2.343 -5.186 1.00 0.12 C ATOM 773 C ILE A 52 6.899 -3.489 -5.795 1.00 0.15 C ATOM 774 O ILE A 52 6.855 -4.558 -5.203 1.00 0.17 O ATOM 775 CB ILE A 52 9.053 -2.225 -5.846 1.00 0.15 C ATOM 776 CG1 ILE A 52 10.097 -2.981 -5.087 1.00 0.23 C ATOM 777 CG2 ILE A 52 9.470 -0.776 -5.954 1.00 0.12 C ATOM 778 CD1 ILE A 52 11.429 -2.896 -5.778 1.00 0.24 C ATOM 0 H ILE A 52 8.646 -2.707 -3.369 1.00 0.11 H new ATOM 0 HA ILE A 52 7.170 -1.396 -5.377 1.00 0.12 H new ATOM 0 HB ILE A 52 8.967 -2.658 -6.843 1.00 0.15 H new ATOM 0 HG12 ILE A 52 10.180 -2.579 -4.077 1.00 0.23 H new ATOM 0 HG13 ILE A 52 9.798 -4.025 -4.991 1.00 0.23 H new ATOM 0 HG21 ILE A 52 10.451 -0.714 -6.425 1.00 0.12 H new ATOM 0 HG22 ILE A 52 8.743 -0.232 -6.557 1.00 0.12 H new ATOM 0 HG23 ILE A 52 9.517 -0.336 -4.958 1.00 0.12 H new ATOM 0 HD11 ILE A 52 12.171 -3.453 -5.207 1.00 0.24 H new ATOM 0 HD12 ILE A 52 11.347 -3.320 -6.779 1.00 0.24 H new ATOM 0 HD13 ILE A 52 11.735 -1.852 -5.850 1.00 0.24 H new ATOM 790 N GLU A 53 6.279 -3.267 -6.941 1.00 0.16 N ATOM 791 CA GLU A 53 5.450 -4.275 -7.587 1.00 0.18 C ATOM 792 C GLU A 53 6.170 -5.626 -7.629 1.00 0.20 C ATOM 793 O GLU A 53 5.545 -6.684 -7.525 1.00 0.24 O ATOM 794 CB GLU A 53 5.068 -3.801 -8.986 1.00 0.19 C ATOM 795 CG GLU A 53 4.225 -4.800 -9.743 1.00 0.22 C ATOM 796 CD GLU A 53 3.699 -4.234 -11.046 1.00 0.27 C ATOM 797 OE1 GLU A 53 2.874 -3.297 -11.005 1.00 0.34 O ATOM 798 OE2 GLU A 53 4.106 -4.730 -12.120 1.00 0.39 O ATOM 0 H GLU A 53 6.335 -2.385 -7.451 1.00 0.16 H new ATOM 0 HA GLU A 53 4.537 -4.415 -7.008 1.00 0.18 H new ATOM 0 HB2 GLU A 53 4.523 -2.860 -8.908 1.00 0.19 H new ATOM 0 HB3 GLU A 53 5.976 -3.597 -9.554 1.00 0.19 H new ATOM 0 HG2 GLU A 53 4.818 -5.691 -9.949 1.00 0.22 H new ATOM 0 HG3 GLU A 53 3.387 -5.112 -9.120 1.00 0.22 H new ATOM 805 N LYS A 54 7.494 -5.552 -7.731 1.00 0.20 N ATOM 806 CA LYS A 54 8.376 -6.709 -7.625 1.00 0.24 C ATOM 807 C LYS A 54 8.011 -7.608 -6.444 1.00 0.25 C ATOM 808 O LYS A 54 7.906 -8.829 -6.567 1.00 0.30 O ATOM 809 CB LYS A 54 9.819 -6.220 -7.418 1.00 0.26 C ATOM 810 CG LYS A 54 10.481 -5.694 -8.679 1.00 0.79 C ATOM 811 CD LYS A 54 11.971 -5.428 -8.478 1.00 1.67 C ATOM 812 CE LYS A 54 12.767 -6.713 -8.266 1.00 2.57 C ATOM 813 NZ LYS A 54 12.786 -7.153 -6.843 1.00 3.37 N ATOM 0 H LYS A 54 7.990 -4.675 -7.892 1.00 0.20 H new ATOM 0 HA LYS A 54 8.271 -7.285 -8.544 1.00 0.24 H new ATOM 0 HB2 LYS A 54 9.820 -5.433 -6.664 1.00 0.26 H new ATOM 0 HB3 LYS A 54 10.416 -7.041 -7.022 1.00 0.26 H new ATOM 0 HG2 LYS A 54 10.348 -6.415 -9.486 1.00 0.79 H new ATOM 0 HG3 LYS A 54 9.988 -4.773 -8.990 1.00 0.79 H new ATOM 0 HD2 LYS A 54 12.364 -4.900 -9.347 1.00 1.67 H new ATOM 0 HD3 LYS A 54 12.108 -4.773 -7.618 1.00 1.67 H new ATOM 0 HE2 LYS A 54 12.340 -7.505 -8.881 1.00 2.57 H new ATOM 0 HE3 LYS A 54 13.791 -6.561 -8.608 1.00 2.57 H new ATOM 0 HZ1 LYS A 54 13.770 -7.218 -6.513 1.00 3.37 H new ATOM 0 HZ2 LYS A 54 12.270 -6.464 -6.260 1.00 3.37 H new ATOM 0 HZ3 LYS A 54 12.332 -8.085 -6.762 1.00 3.37 H new ATOM 827 N GLU A 55 7.796 -6.972 -5.310 1.00 0.22 N ATOM 828 CA GLU A 55 7.763 -7.643 -4.024 1.00 0.26 C ATOM 829 C GLU A 55 6.355 -8.066 -3.624 1.00 0.24 C ATOM 830 O GLU A 55 6.176 -8.834 -2.678 1.00 0.38 O ATOM 831 CB GLU A 55 8.352 -6.690 -2.992 1.00 0.28 C ATOM 832 CG GLU A 55 9.747 -6.217 -3.377 1.00 0.27 C ATOM 833 CD GLU A 55 10.741 -7.346 -3.559 1.00 0.32 C ATOM 834 OE1 GLU A 55 11.328 -7.796 -2.556 1.00 0.71 O ATOM 835 OE2 GLU A 55 10.963 -7.759 -4.717 1.00 0.70 O ATOM 0 H GLU A 55 7.638 -5.966 -5.254 1.00 0.22 H new ATOM 0 HA GLU A 55 8.346 -8.562 -4.085 1.00 0.26 H new ATOM 0 HB2 GLU A 55 7.695 -5.827 -2.880 1.00 0.28 H new ATOM 0 HB3 GLU A 55 8.393 -7.187 -2.023 1.00 0.28 H new ATOM 0 HG2 GLU A 55 9.685 -5.646 -4.303 1.00 0.27 H new ATOM 0 HG3 GLU A 55 10.117 -5.539 -2.608 1.00 0.27 H new ATOM 842 N LEU A 56 5.358 -7.552 -4.327 1.00 0.15 N ATOM 843 CA LEU A 56 3.985 -7.923 -4.066 1.00 0.14 C ATOM 844 C LEU A 56 3.614 -9.168 -4.838 1.00 0.16 C ATOM 845 O LEU A 56 4.373 -9.664 -5.672 1.00 0.22 O ATOM 846 CB LEU A 56 3.023 -6.811 -4.473 1.00 0.14 C ATOM 847 CG LEU A 56 2.996 -5.578 -3.579 1.00 0.13 C ATOM 848 CD1 LEU A 56 4.293 -4.832 -3.706 1.00 0.12 C ATOM 849 CD2 LEU A 56 1.861 -4.671 -3.994 1.00 0.15 C ATOM 0 H LEU A 56 5.479 -6.877 -5.082 1.00 0.15 H new ATOM 0 HA LEU A 56 3.903 -8.104 -2.994 1.00 0.14 H new ATOM 0 HB2 LEU A 56 3.276 -6.494 -5.485 1.00 0.14 H new ATOM 0 HB3 LEU A 56 2.016 -7.227 -4.512 1.00 0.14 H new ATOM 0 HG LEU A 56 2.854 -5.892 -2.545 1.00 0.13 H new ATOM 0 HD11 LEU A 56 4.270 -3.951 -3.065 1.00 0.12 H new ATOM 0 HD12 LEU A 56 5.116 -5.479 -3.403 1.00 0.12 H new ATOM 0 HD13 LEU A 56 4.436 -4.524 -4.742 1.00 0.12 H new ATOM 0 HD21 LEU A 56 1.846 -3.790 -3.352 1.00 0.15 H new ATOM 0 HD22 LEU A 56 2.002 -4.362 -5.030 1.00 0.15 H new ATOM 0 HD23 LEU A 56 0.915 -5.205 -3.900 1.00 0.15 H new ATOM 861 N ASP A 57 2.432 -9.652 -4.556 1.00 0.16 N ATOM 862 CA ASP A 57 1.852 -10.747 -5.303 1.00 0.19 C ATOM 863 C ASP A 57 0.418 -10.400 -5.642 1.00 0.21 C ATOM 864 O ASP A 57 -0.401 -10.191 -4.749 1.00 0.24 O ATOM 865 CB ASP A 57 1.902 -12.049 -4.506 1.00 0.22 C ATOM 866 CG ASP A 57 1.568 -13.244 -5.363 1.00 0.28 C ATOM 867 OD1 ASP A 57 2.393 -13.611 -6.222 1.00 0.98 O ATOM 868 OD2 ASP A 57 0.479 -13.820 -5.192 1.00 0.80 O ATOM 0 H ASP A 57 1.841 -9.301 -3.802 1.00 0.16 H new ATOM 0 HA ASP A 57 2.428 -10.897 -6.216 1.00 0.19 H new ATOM 0 HB2 ASP A 57 2.897 -12.175 -4.078 1.00 0.22 H new ATOM 0 HB3 ASP A 57 1.202 -11.992 -3.673 1.00 0.22 H new ATOM 873 N PHE A 58 0.117 -10.317 -6.922 1.00 0.21 N ATOM 874 CA PHE A 58 -1.217 -9.935 -7.358 1.00 0.23 C ATOM 875 C PHE A 58 -2.132 -11.143 -7.451 1.00 0.28 C ATOM 876 O PHE A 58 -3.283 -11.031 -7.869 1.00 0.35 O ATOM 877 CB PHE A 58 -1.151 -9.204 -8.690 1.00 0.27 C ATOM 878 CG PHE A 58 -0.825 -7.748 -8.542 1.00 0.26 C ATOM 879 CD1 PHE A 58 0.477 -7.322 -8.335 1.00 0.25 C ATOM 880 CD2 PHE A 58 -1.831 -6.802 -8.624 1.00 0.30 C ATOM 881 CE1 PHE A 58 0.771 -5.977 -8.213 1.00 0.27 C ATOM 882 CE2 PHE A 58 -1.544 -5.457 -8.500 1.00 0.33 C ATOM 883 CZ PHE A 58 -0.242 -5.043 -8.299 1.00 0.31 C ATOM 0 H PHE A 58 0.774 -10.508 -7.679 1.00 0.21 H new ATOM 0 HA PHE A 58 -1.636 -9.259 -6.612 1.00 0.23 H new ATOM 0 HB2 PHE A 58 -0.399 -9.677 -9.321 1.00 0.27 H new ATOM 0 HB3 PHE A 58 -2.107 -9.307 -9.203 1.00 0.27 H new ATOM 0 HD1 PHE A 58 1.272 -8.050 -8.268 1.00 0.25 H new ATOM 0 HD2 PHE A 58 -2.851 -7.118 -8.787 1.00 0.30 H new ATOM 0 HE1 PHE A 58 1.790 -5.658 -8.051 1.00 0.27 H new ATOM 0 HE2 PHE A 58 -2.339 -4.728 -8.560 1.00 0.33 H new ATOM 0 HZ PHE A 58 -0.017 -3.991 -8.209 1.00 0.31 H new ATOM 893 N SER A 59 -1.619 -12.295 -7.049 1.00 0.27 N ATOM 894 CA SER A 59 -2.452 -13.475 -6.906 1.00 0.33 C ATOM 895 C SER A 59 -2.929 -13.534 -5.464 1.00 0.33 C ATOM 896 O SER A 59 -3.706 -14.403 -5.071 1.00 0.38 O ATOM 897 CB SER A 59 -1.693 -14.745 -7.299 1.00 0.38 C ATOM 898 OG SER A 59 -0.319 -14.473 -7.537 1.00 1.29 O ATOM 0 H SER A 59 -0.636 -12.436 -6.818 1.00 0.27 H new ATOM 0 HA SER A 59 -3.308 -13.412 -7.578 1.00 0.33 H new ATOM 0 HB2 SER A 59 -1.787 -15.487 -6.506 1.00 0.38 H new ATOM 0 HB3 SER A 59 -2.141 -15.176 -8.194 1.00 0.38 H new ATOM 0 HG SER A 59 0.187 -14.596 -6.707 1.00 1.29 H new ATOM 904 N LYS A 60 -2.433 -12.575 -4.687 1.00 0.29 N ATOM 905 CA LYS A 60 -2.914 -12.327 -3.348 1.00 0.29 C ATOM 906 C LYS A 60 -3.772 -11.081 -3.374 1.00 0.29 C ATOM 907 O LYS A 60 -3.341 -10.032 -3.862 1.00 0.30 O ATOM 908 CB LYS A 60 -1.760 -12.082 -2.368 1.00 0.31 C ATOM 909 CG LYS A 60 -1.385 -13.259 -1.472 1.00 0.46 C ATOM 910 CD LYS A 60 -0.523 -14.290 -2.183 1.00 0.97 C ATOM 911 CE LYS A 60 -1.340 -15.228 -3.051 1.00 1.43 C ATOM 912 NZ LYS A 60 -0.478 -16.013 -3.967 1.00 2.40 N ATOM 0 H LYS A 60 -1.682 -11.949 -4.978 1.00 0.29 H new ATOM 0 HA LYS A 60 -3.473 -13.203 -3.019 1.00 0.29 H new ATOM 0 HB2 LYS A 60 -0.879 -11.791 -2.940 1.00 0.31 H new ATOM 0 HB3 LYS A 60 -2.022 -11.236 -1.733 1.00 0.31 H new ATOM 0 HG2 LYS A 60 -0.852 -12.888 -0.597 1.00 0.46 H new ATOM 0 HG3 LYS A 60 -2.295 -13.739 -1.111 1.00 0.46 H new ATOM 0 HD2 LYS A 60 0.215 -13.778 -2.801 1.00 0.97 H new ATOM 0 HD3 LYS A 60 0.028 -14.871 -1.443 1.00 0.97 H new ATOM 0 HE2 LYS A 60 -1.911 -15.906 -2.417 1.00 1.43 H new ATOM 0 HE3 LYS A 60 -2.060 -14.652 -3.632 1.00 1.43 H new ATOM 0 HZ1 LYS A 60 -1.071 -16.631 -4.557 1.00 2.40 H new ATOM 0 HZ2 LYS A 60 0.061 -15.365 -4.577 1.00 2.40 H new ATOM 0 HZ3 LYS A 60 0.181 -16.594 -3.411 1.00 2.40 H new ATOM 926 N SER A 61 -4.979 -11.177 -2.867 1.00 0.33 N ATOM 927 CA SER A 61 -5.790 -9.999 -2.716 1.00 0.36 C ATOM 928 C SER A 61 -5.465 -9.373 -1.372 1.00 0.40 C ATOM 929 O SER A 61 -5.507 -10.037 -0.333 1.00 0.49 O ATOM 930 CB SER A 61 -7.270 -10.321 -2.836 1.00 0.45 C ATOM 931 OG SER A 61 -7.518 -11.168 -3.950 1.00 1.19 O ATOM 0 H SER A 61 -5.413 -12.046 -2.557 1.00 0.33 H new ATOM 0 HA SER A 61 -5.566 -9.293 -3.516 1.00 0.36 H new ATOM 0 HB2 SER A 61 -7.616 -10.805 -1.923 1.00 0.45 H new ATOM 0 HB3 SER A 61 -7.839 -9.398 -2.943 1.00 0.45 H new ATOM 0 HG SER A 61 -8.477 -11.363 -4.006 1.00 1.19 H new ATOM 937 N GLY A 62 -5.114 -8.111 -1.405 1.00 0.42 N ATOM 938 CA GLY A 62 -4.583 -7.460 -0.234 1.00 0.53 C ATOM 939 C GLY A 62 -5.610 -6.659 0.518 1.00 0.36 C ATOM 940 O GLY A 62 -6.070 -5.622 0.044 1.00 0.28 O ATOM 0 H GLY A 62 -5.186 -7.515 -2.230 1.00 0.42 H new ATOM 0 HA2 GLY A 62 -4.161 -8.213 0.432 1.00 0.53 H new ATOM 0 HA3 GLY A 62 -3.766 -6.803 -0.531 1.00 0.53 H new ATOM 944 N ASP A 63 -5.953 -7.128 1.706 1.00 0.39 N ATOM 945 CA ASP A 63 -6.789 -6.363 2.620 1.00 0.35 C ATOM 946 C ASP A 63 -5.890 -5.406 3.391 1.00 0.28 C ATOM 947 O ASP A 63 -6.183 -5.007 4.513 1.00 0.36 O ATOM 948 CB ASP A 63 -7.530 -7.286 3.597 1.00 0.53 C ATOM 949 CG ASP A 63 -8.288 -8.400 2.900 1.00 1.59 C ATOM 950 OD1 ASP A 63 -9.379 -8.125 2.355 1.00 2.41 O ATOM 951 OD2 ASP A 63 -7.800 -9.548 2.888 1.00 2.10 O ATOM 0 H ASP A 63 -5.665 -8.039 2.063 1.00 0.39 H new ATOM 0 HA ASP A 63 -7.540 -5.814 2.052 1.00 0.35 H new ATOM 0 HB2 ASP A 63 -6.812 -7.722 4.292 1.00 0.53 H new ATOM 0 HB3 ASP A 63 -8.228 -6.694 4.189 1.00 0.53 H new ATOM 956 N GLY A 64 -4.781 -5.054 2.756 1.00 0.19 N ATOM 957 CA GLY A 64 -3.762 -4.244 3.393 1.00 0.17 C ATOM 958 C GLY A 64 -3.549 -2.934 2.662 1.00 0.14 C ATOM 959 O GLY A 64 -2.516 -2.294 2.787 1.00 0.20 O ATOM 0 H GLY A 64 -4.567 -5.320 1.795 1.00 0.19 H new ATOM 0 HA2 GLY A 64 -4.050 -4.042 4.425 1.00 0.17 H new ATOM 0 HA3 GLY A 64 -2.824 -4.799 3.426 1.00 0.17 H new ATOM 963 N CYS A 65 -4.523 -2.552 1.870 1.00 0.16 N ATOM 964 CA CYS A 65 -4.508 -1.259 1.209 1.00 0.19 C ATOM 965 C CYS A 65 -5.319 -0.303 2.056 1.00 0.20 C ATOM 966 O CYS A 65 -5.733 -0.654 3.150 1.00 0.28 O ATOM 967 CB CYS A 65 -5.131 -1.394 -0.181 1.00 0.20 C ATOM 968 SG CYS A 65 -4.767 -2.974 -0.983 1.00 0.30 S ATOM 0 H CYS A 65 -5.344 -3.120 1.664 1.00 0.16 H new ATOM 0 HA CYS A 65 -3.489 -0.889 1.096 1.00 0.19 H new ATOM 0 HB2 CYS A 65 -6.212 -1.277 -0.099 1.00 0.20 H new ATOM 0 HB3 CYS A 65 -4.770 -0.583 -0.813 1.00 0.20 H new ATOM 0 HG CYS A 65 -5.419 -3.926 -0.383 1.00 0.30 H new ATOM 974 N VAL A 66 -5.539 0.893 1.574 1.00 0.23 N ATOM 975 CA VAL A 66 -6.443 1.801 2.242 1.00 0.20 C ATOM 976 C VAL A 66 -7.366 2.423 1.222 1.00 0.20 C ATOM 977 O VAL A 66 -6.987 2.655 0.074 1.00 0.25 O ATOM 978 CB VAL A 66 -5.712 2.887 3.064 1.00 0.20 C ATOM 979 CG1 VAL A 66 -4.465 3.343 2.346 1.00 0.20 C ATOM 980 CG2 VAL A 66 -6.622 4.072 3.344 1.00 0.20 C ATOM 0 H VAL A 66 -5.109 1.262 0.726 1.00 0.23 H new ATOM 0 HA VAL A 66 -7.022 1.223 2.962 1.00 0.20 H new ATOM 0 HB VAL A 66 -5.427 2.447 4.020 1.00 0.20 H new ATOM 0 HG11 VAL A 66 -3.963 4.108 2.939 1.00 0.20 H new ATOM 0 HG12 VAL A 66 -3.795 2.495 2.206 1.00 0.20 H new ATOM 0 HG13 VAL A 66 -4.735 3.757 1.374 1.00 0.20 H new ATOM 0 HG21 VAL A 66 -6.079 4.819 3.924 1.00 0.20 H new ATOM 0 HG22 VAL A 66 -6.948 4.511 2.401 1.00 0.20 H new ATOM 0 HG23 VAL A 66 -7.492 3.737 3.908 1.00 0.20 H new ATOM 990 N ASP A 67 -8.576 2.656 1.663 1.00 0.18 N ATOM 991 CA ASP A 67 -9.636 3.161 0.820 1.00 0.23 C ATOM 992 C ASP A 67 -9.481 4.676 0.697 1.00 0.24 C ATOM 993 O ASP A 67 -8.366 5.189 0.794 1.00 0.26 O ATOM 994 CB ASP A 67 -10.963 2.771 1.461 1.00 0.29 C ATOM 995 CG ASP A 67 -12.099 2.615 0.467 1.00 0.85 C ATOM 996 OD1 ASP A 67 -12.659 3.654 0.043 1.00 1.04 O ATOM 997 OD2 ASP A 67 -12.417 1.475 0.083 1.00 1.49 O ATOM 0 H ASP A 67 -8.859 2.499 2.630 1.00 0.18 H new ATOM 0 HA ASP A 67 -9.597 2.740 -0.185 1.00 0.23 H new ATOM 0 HB2 ASP A 67 -10.834 1.833 2.001 1.00 0.29 H new ATOM 0 HB3 ASP A 67 -11.237 3.527 2.197 1.00 0.29 H new ATOM 1002 N ASP A 68 -10.563 5.398 0.471 1.00 0.28 N ATOM 1003 CA ASP A 68 -10.484 6.857 0.480 1.00 0.32 C ATOM 1004 C ASP A 68 -10.162 7.353 1.884 1.00 0.33 C ATOM 1005 O ASP A 68 -9.299 8.195 2.061 1.00 0.73 O ATOM 1006 CB ASP A 68 -11.758 7.537 -0.068 1.00 0.45 C ATOM 1007 CG ASP A 68 -13.069 7.073 0.560 1.00 1.28 C ATOM 1008 OD1 ASP A 68 -13.008 6.291 1.542 1.00 2.10 O ATOM 1009 OD2 ASP A 68 -14.154 7.470 0.094 1.00 1.41 O ATOM 0 H ASP A 68 -11.489 5.015 0.282 1.00 0.28 H new ATOM 0 HA ASP A 68 -9.678 7.138 -0.197 1.00 0.32 H new ATOM 0 HB2 ASP A 68 -11.666 8.613 0.077 1.00 0.45 H new ATOM 0 HB3 ASP A 68 -11.808 7.364 -1.143 1.00 0.45 H new ATOM 1014 N CYS A 69 -10.838 6.809 2.876 1.00 0.32 N ATOM 1015 CA CYS A 69 -10.525 7.103 4.264 1.00 0.28 C ATOM 1016 C CYS A 69 -9.533 6.064 4.758 1.00 0.24 C ATOM 1017 O CYS A 69 -9.385 5.015 4.133 1.00 0.23 O ATOM 1018 CB CYS A 69 -11.792 7.061 5.115 1.00 0.40 C ATOM 1019 SG CYS A 69 -11.576 7.655 6.809 1.00 1.49 S ATOM 0 H CYS A 69 -11.612 6.157 2.748 1.00 0.32 H new ATOM 0 HA CYS A 69 -10.096 8.102 4.344 1.00 0.28 H new ATOM 0 HB2 CYS A 69 -12.562 7.660 4.628 1.00 0.40 H new ATOM 0 HB3 CYS A 69 -12.159 6.035 5.147 1.00 0.40 H new ATOM 0 HG CYS A 69 -12.708 7.580 7.443 1.00 1.49 H new ATOM 1025 N GLY A 70 -8.873 6.332 5.881 1.00 0.25 N ATOM 1026 CA GLY A 70 -7.863 5.417 6.367 1.00 0.25 C ATOM 1027 C GLY A 70 -8.473 4.188 6.994 1.00 0.28 C ATOM 1028 O GLY A 70 -8.458 4.012 8.213 1.00 0.36 O ATOM 0 H GLY A 70 -9.020 7.161 6.457 1.00 0.25 H new ATOM 0 HA2 GLY A 70 -7.215 5.120 5.542 1.00 0.25 H new ATOM 0 HA3 GLY A 70 -7.235 5.925 7.099 1.00 0.25 H new ATOM 1032 N SER A 71 -8.995 3.346 6.133 1.00 0.25 N ATOM 1033 CA SER A 71 -9.516 2.053 6.494 1.00 0.28 C ATOM 1034 C SER A 71 -9.019 1.061 5.462 1.00 0.25 C ATOM 1035 O SER A 71 -9.173 1.291 4.258 1.00 0.24 O ATOM 1036 CB SER A 71 -11.046 2.095 6.528 1.00 0.34 C ATOM 1037 OG SER A 71 -11.598 0.833 6.866 1.00 1.10 O ATOM 0 H SER A 71 -9.070 3.549 5.136 1.00 0.25 H new ATOM 0 HA SER A 71 -9.178 1.757 7.487 1.00 0.28 H new ATOM 0 HB2 SER A 71 -11.374 2.841 7.252 1.00 0.34 H new ATOM 0 HB3 SER A 71 -11.423 2.408 5.555 1.00 0.34 H new ATOM 0 HG SER A 71 -12.576 0.897 6.880 1.00 1.10 H new ATOM 1043 N MET A 72 -8.372 0.001 5.918 1.00 0.32 N ATOM 1044 CA MET A 72 -7.778 -0.958 5.008 1.00 0.30 C ATOM 1045 C MET A 72 -8.806 -1.588 4.075 1.00 0.30 C ATOM 1046 O MET A 72 -9.767 -2.226 4.513 1.00 0.46 O ATOM 1047 CB MET A 72 -6.992 -2.013 5.760 1.00 0.36 C ATOM 1048 CG MET A 72 -7.707 -2.486 6.984 1.00 0.85 C ATOM 1049 SD MET A 72 -7.239 -4.147 7.502 1.00 1.03 S ATOM 1050 CE MET A 72 -5.463 -3.971 7.642 1.00 1.68 C ATOM 0 H MET A 72 -8.246 -0.214 6.907 1.00 0.32 H new ATOM 0 HA MET A 72 -7.081 -0.406 4.377 1.00 0.30 H new ATOM 0 HB2 MET A 72 -6.803 -2.861 5.101 1.00 0.36 H new ATOM 0 HB3 MET A 72 -6.021 -1.607 6.043 1.00 0.36 H new ATOM 0 HG2 MET A 72 -7.509 -1.791 7.800 1.00 0.85 H new ATOM 0 HG3 MET A 72 -8.781 -2.462 6.798 1.00 0.85 H new ATOM 0 HE1 MET A 72 -5.050 -4.840 8.154 1.00 1.68 H new ATOM 0 HE2 MET A 72 -5.025 -3.895 6.647 1.00 1.68 H new ATOM 0 HE3 MET A 72 -5.230 -3.071 8.211 1.00 1.68 H new ATOM 1060 N THR A 73 -8.588 -1.383 2.783 1.00 0.21 N ATOM 1061 CA THR A 73 -9.484 -1.871 1.750 1.00 0.19 C ATOM 1062 C THR A 73 -8.810 -3.012 0.986 1.00 0.18 C ATOM 1063 O THR A 73 -7.580 -3.113 0.968 1.00 0.19 O ATOM 1064 CB THR A 73 -9.886 -0.726 0.789 1.00 0.21 C ATOM 1065 OG1 THR A 73 -11.027 -1.094 0.001 1.00 0.26 O ATOM 1066 CG2 THR A 73 -8.733 -0.342 -0.129 1.00 0.22 C ATOM 0 H THR A 73 -7.782 -0.872 2.424 1.00 0.21 H new ATOM 0 HA THR A 73 -10.394 -2.247 2.216 1.00 0.19 H new ATOM 0 HB THR A 73 -10.143 0.136 1.405 1.00 0.21 H new ATOM 0 HG1 THR A 73 -11.637 -0.330 -0.067 1.00 0.26 H new ATOM 0 HG21 THR A 73 -9.048 0.464 -0.791 1.00 0.22 H new ATOM 0 HG22 THR A 73 -7.886 -0.009 0.471 1.00 0.22 H new ATOM 0 HG23 THR A 73 -8.439 -1.206 -0.724 1.00 0.22 H new ATOM 1074 N SER A 74 -9.607 -3.878 0.380 1.00 0.27 N ATOM 1075 CA SER A 74 -9.091 -5.057 -0.277 1.00 0.30 C ATOM 1076 C SER A 74 -8.820 -4.816 -1.766 1.00 0.35 C ATOM 1077 O SER A 74 -9.733 -4.542 -2.547 1.00 0.47 O ATOM 1078 CB SER A 74 -10.089 -6.193 -0.086 1.00 0.37 C ATOM 1079 OG SER A 74 -11.408 -5.763 -0.379 1.00 1.25 O ATOM 0 H SER A 74 -10.621 -3.780 0.333 1.00 0.27 H new ATOM 0 HA SER A 74 -8.133 -5.318 0.172 1.00 0.30 H new ATOM 0 HB2 SER A 74 -9.823 -7.029 -0.733 1.00 0.37 H new ATOM 0 HB3 SER A 74 -10.040 -6.556 0.941 1.00 0.37 H new ATOM 0 HG SER A 74 -11.406 -5.243 -1.210 1.00 1.25 H new ATOM 1085 N CYS A 75 -7.557 -4.928 -2.140 1.00 0.30 N ATOM 1086 CA CYS A 75 -7.128 -4.783 -3.525 1.00 0.35 C ATOM 1087 C CYS A 75 -5.904 -5.652 -3.764 1.00 0.33 C ATOM 1088 O CYS A 75 -5.096 -5.850 -2.862 1.00 0.43 O ATOM 1089 CB CYS A 75 -6.824 -3.320 -3.836 1.00 0.39 C ATOM 1090 SG CYS A 75 -6.269 -3.013 -5.528 1.00 1.40 S ATOM 0 H CYS A 75 -6.795 -5.123 -1.490 1.00 0.30 H new ATOM 0 HA CYS A 75 -7.929 -5.107 -4.190 1.00 0.35 H new ATOM 0 HB2 CYS A 75 -7.720 -2.728 -3.648 1.00 0.39 H new ATOM 0 HB3 CYS A 75 -6.058 -2.967 -3.146 1.00 0.39 H new ATOM 0 HG CYS A 75 -6.041 -1.743 -5.686 1.00 1.40 H new ATOM 1096 N ARG A 76 -5.777 -6.174 -4.973 1.00 0.27 N ATOM 1097 CA ARG A 76 -4.765 -7.181 -5.262 1.00 0.26 C ATOM 1098 C ARG A 76 -3.372 -6.585 -5.321 1.00 0.22 C ATOM 1099 O ARG A 76 -3.127 -5.618 -6.034 1.00 0.25 O ATOM 1100 CB ARG A 76 -5.081 -7.921 -6.552 1.00 0.33 C ATOM 1101 CG ARG A 76 -6.106 -9.004 -6.349 1.00 0.39 C ATOM 1102 CD ARG A 76 -7.438 -8.413 -6.007 1.00 0.79 C ATOM 1103 NE ARG A 76 -8.218 -8.063 -7.189 1.00 1.01 N ATOM 1104 CZ ARG A 76 -9.170 -7.134 -7.199 1.00 1.61 C ATOM 1105 NH1 ARG A 76 -9.465 -6.468 -6.088 1.00 2.21 N ATOM 1106 NH2 ARG A 76 -9.827 -6.867 -8.315 1.00 1.87 N ATOM 0 H ARG A 76 -6.360 -5.919 -5.770 1.00 0.27 H new ATOM 0 HA ARG A 76 -4.784 -7.895 -4.439 1.00 0.26 H new ATOM 0 HB2 ARG A 76 -5.446 -7.212 -7.295 1.00 0.33 H new ATOM 0 HB3 ARG A 76 -4.166 -8.359 -6.951 1.00 0.33 H new ATOM 0 HG2 ARG A 76 -6.191 -9.606 -7.254 1.00 0.39 H new ATOM 0 HG3 ARG A 76 -5.783 -9.672 -5.551 1.00 0.39 H new ATOM 0 HD2 ARG A 76 -8.002 -9.123 -5.402 1.00 0.79 H new ATOM 0 HD3 ARG A 76 -7.290 -7.522 -5.397 1.00 0.79 H new ATOM 0 HE ARG A 76 -8.022 -8.559 -8.058 1.00 1.01 H new ATOM 0 HH11 ARG A 76 -8.961 -6.668 -5.224 1.00 2.21 H new ATOM 0 HH12 ARG A 76 -10.195 -5.756 -6.099 1.00 2.21 H new ATOM 0 HH21 ARG A 76 -9.604 -7.374 -9.172 1.00 1.87 H new ATOM 0 HH22 ARG A 76 -10.556 -6.154 -8.319 1.00 1.87 H new ATOM 1120 N GLY A 77 -2.481 -7.141 -4.518 1.00 0.19 N ATOM 1121 CA GLY A 77 -1.104 -6.706 -4.511 1.00 0.19 C ATOM 1122 C GLY A 77 -0.494 -6.883 -3.152 1.00 0.24 C ATOM 1123 O GLY A 77 -0.319 -5.925 -2.432 1.00 0.59 O ATOM 0 H GLY A 77 -2.691 -7.895 -3.864 1.00 0.19 H new ATOM 0 HA2 GLY A 77 -0.535 -7.275 -5.246 1.00 0.19 H new ATOM 0 HA3 GLY A 77 -1.048 -5.658 -4.806 1.00 0.19 H new ATOM 1127 N SER A 78 -0.161 -8.090 -2.792 1.00 0.20 N ATOM 1128 CA SER A 78 0.265 -8.338 -1.428 1.00 0.17 C ATOM 1129 C SER A 78 1.419 -9.297 -1.318 1.00 0.20 C ATOM 1130 O SER A 78 1.577 -10.218 -2.107 1.00 0.26 O ATOM 1131 CB SER A 78 -0.913 -8.844 -0.609 1.00 0.20 C ATOM 1132 OG SER A 78 -1.625 -7.771 -0.021 1.00 0.73 O ATOM 0 H SER A 78 -0.172 -8.907 -3.402 1.00 0.20 H new ATOM 0 HA SER A 78 0.624 -7.386 -1.036 1.00 0.17 H new ATOM 0 HB2 SER A 78 -1.582 -9.422 -1.247 1.00 0.20 H new ATOM 0 HB3 SER A 78 -0.555 -9.517 0.170 1.00 0.20 H new ATOM 0 HG SER A 78 -1.370 -7.687 0.921 1.00 0.73 H new ATOM 1138 N VAL A 79 2.205 -9.043 -0.294 1.00 0.18 N ATOM 1139 CA VAL A 79 3.408 -9.782 -0.005 1.00 0.20 C ATOM 1140 C VAL A 79 3.113 -11.256 0.286 1.00 0.27 C ATOM 1141 O VAL A 79 2.605 -11.605 1.356 1.00 0.33 O ATOM 1142 CB VAL A 79 4.119 -9.122 1.186 1.00 0.23 C ATOM 1143 CG1 VAL A 79 5.321 -9.930 1.651 1.00 0.31 C ATOM 1144 CG2 VAL A 79 4.531 -7.702 0.812 1.00 0.25 C ATOM 0 H VAL A 79 2.017 -8.297 0.376 1.00 0.18 H new ATOM 0 HA VAL A 79 4.055 -9.759 -0.882 1.00 0.20 H new ATOM 0 HB VAL A 79 3.420 -9.087 2.022 1.00 0.23 H new ATOM 0 HG11 VAL A 79 5.793 -9.427 2.495 1.00 0.31 H new ATOM 0 HG12 VAL A 79 4.995 -10.924 1.958 1.00 0.31 H new ATOM 0 HG13 VAL A 79 6.037 -10.019 0.834 1.00 0.31 H new ATOM 0 HG21 VAL A 79 5.035 -7.235 1.658 1.00 0.25 H new ATOM 0 HG22 VAL A 79 5.207 -7.732 -0.042 1.00 0.25 H new ATOM 0 HG23 VAL A 79 3.645 -7.122 0.553 1.00 0.25 H new ATOM 1154 N SER A 80 3.414 -12.111 -0.685 1.00 0.33 N ATOM 1155 CA SER A 80 3.201 -13.543 -0.544 1.00 0.41 C ATOM 1156 C SER A 80 4.337 -14.182 0.250 1.00 0.43 C ATOM 1157 O SER A 80 4.119 -14.745 1.328 1.00 0.97 O ATOM 1158 CB SER A 80 3.083 -14.188 -1.921 1.00 0.48 C ATOM 1159 OG SER A 80 4.124 -13.750 -2.781 1.00 0.96 O ATOM 0 H SER A 80 3.809 -11.833 -1.583 1.00 0.33 H new ATOM 0 HA SER A 80 2.273 -13.706 0.003 1.00 0.41 H new ATOM 0 HB2 SER A 80 3.121 -15.273 -1.822 1.00 0.48 H new ATOM 0 HB3 SER A 80 2.116 -13.941 -2.360 1.00 0.48 H new ATOM 0 HG SER A 80 4.027 -14.179 -3.657 1.00 0.96 H new ATOM 1165 N GLY A 81 5.543 -14.095 -0.288 1.00 0.56 N ATOM 1166 CA GLY A 81 6.711 -14.568 0.423 1.00 0.58 C ATOM 1167 C GLY A 81 7.384 -13.447 1.159 1.00 0.56 C ATOM 1168 O GLY A 81 6.752 -12.454 1.493 1.00 0.86 O ATOM 0 H GLY A 81 5.734 -13.703 -1.210 1.00 0.56 H new ATOM 0 HA2 GLY A 81 6.421 -15.348 1.127 1.00 0.58 H new ATOM 0 HA3 GLY A 81 7.412 -15.018 -0.280 1.00 0.58 H new ATOM 1172 N PRO A 82 8.659 -13.594 1.466 1.00 0.46 N ATOM 1173 CA PRO A 82 9.464 -12.505 2.006 1.00 0.41 C ATOM 1174 C PRO A 82 9.764 -11.421 0.968 1.00 0.41 C ATOM 1175 O PRO A 82 10.393 -11.686 -0.057 1.00 0.57 O ATOM 1176 CB PRO A 82 10.744 -13.205 2.419 1.00 0.48 C ATOM 1177 CG PRO A 82 10.819 -14.382 1.515 1.00 0.61 C ATOM 1178 CD PRO A 82 9.414 -14.848 1.362 1.00 0.70 C ATOM 0 HA PRO A 82 8.955 -11.983 2.816 1.00 0.41 H new ATOM 0 HB2 PRO A 82 11.611 -12.555 2.300 1.00 0.48 H new ATOM 0 HB3 PRO A 82 10.714 -13.507 3.466 1.00 0.48 H new ATOM 0 HG2 PRO A 82 11.251 -14.111 0.552 1.00 0.61 H new ATOM 0 HG3 PRO A 82 11.449 -15.164 1.939 1.00 0.61 H new ATOM 0 HD2 PRO A 82 9.251 -15.343 0.405 1.00 0.70 H new ATOM 0 HD3 PRO A 82 9.133 -15.558 2.140 1.00 0.70 H new ATOM 1186 N SER A 83 9.320 -10.205 1.238 1.00 0.36 N ATOM 1187 CA SER A 83 9.651 -9.071 0.393 1.00 0.37 C ATOM 1188 C SER A 83 10.938 -8.426 0.886 1.00 0.35 C ATOM 1189 O SER A 83 11.097 -8.182 2.084 1.00 0.45 O ATOM 1190 CB SER A 83 8.510 -8.058 0.397 1.00 0.44 C ATOM 1191 OG SER A 83 7.310 -8.673 -0.009 1.00 1.45 O ATOM 0 H SER A 83 8.728 -9.978 2.037 1.00 0.36 H new ATOM 0 HA SER A 83 9.797 -9.417 -0.630 1.00 0.37 H new ATOM 0 HB2 SER A 83 8.391 -7.637 1.396 1.00 0.44 H new ATOM 0 HB3 SER A 83 8.747 -7.230 -0.272 1.00 0.44 H new ATOM 0 HG SER A 83 7.226 -8.615 -0.984 1.00 1.45 H new ATOM 1197 N THR A 84 11.855 -8.161 -0.022 1.00 0.33 N ATOM 1198 CA THR A 84 13.138 -7.588 0.341 1.00 0.34 C ATOM 1199 C THR A 84 13.196 -6.129 -0.076 1.00 0.23 C ATOM 1200 O THR A 84 13.605 -5.266 0.699 1.00 0.21 O ATOM 1201 CB THR A 84 14.298 -8.334 -0.329 1.00 0.46 C ATOM 1202 OG1 THR A 84 14.029 -9.744 -0.345 1.00 0.91 O ATOM 1203 CG2 THR A 84 15.594 -8.078 0.425 1.00 0.67 C ATOM 0 H THR A 84 11.736 -8.333 -1.020 1.00 0.33 H new ATOM 0 HA THR A 84 13.238 -7.677 1.423 1.00 0.34 H new ATOM 0 HB THR A 84 14.400 -7.971 -1.352 1.00 0.46 H new ATOM 0 HG1 THR A 84 14.773 -10.214 -0.776 1.00 0.91 H new ATOM 0 HG21 THR A 84 16.410 -8.613 -0.061 1.00 0.67 H new ATOM 0 HG22 THR A 84 15.810 -7.010 0.425 1.00 0.67 H new ATOM 0 HG23 THR A 84 15.492 -8.427 1.453 1.00 0.67 H new ATOM 1211 N SER A 85 12.757 -5.864 -1.296 1.00 0.21 N ATOM 1212 CA SER A 85 12.777 -4.517 -1.833 1.00 0.25 C ATOM 1213 C SER A 85 11.633 -3.714 -1.226 1.00 0.29 C ATOM 1214 O SER A 85 10.556 -3.605 -1.814 1.00 0.61 O ATOM 1215 CB SER A 85 12.652 -4.566 -3.359 1.00 0.50 C ATOM 1216 OG SER A 85 13.576 -5.489 -3.918 1.00 1.76 O ATOM 0 H SER A 85 12.382 -6.567 -1.933 1.00 0.21 H new ATOM 0 HA SER A 85 13.720 -4.033 -1.579 1.00 0.25 H new ATOM 0 HB2 SER A 85 11.637 -4.851 -3.635 1.00 0.50 H new ATOM 0 HB3 SER A 85 12.829 -3.574 -3.774 1.00 0.50 H new ATOM 0 HG SER A 85 14.486 -5.136 -3.828 1.00 1.76 H new ATOM 1222 N HIS A 86 11.863 -3.161 -0.043 1.00 0.19 N ATOM 1223 CA HIS A 86 10.798 -2.504 0.685 1.00 0.20 C ATOM 1224 C HIS A 86 11.324 -1.436 1.639 1.00 0.20 C ATOM 1225 O HIS A 86 12.513 -1.383 1.945 1.00 0.25 O ATOM 1226 CB HIS A 86 9.973 -3.538 1.463 1.00 0.26 C ATOM 1227 CG HIS A 86 10.666 -4.128 2.664 1.00 0.27 C ATOM 1228 ND1 HIS A 86 11.222 -5.387 2.676 1.00 0.29 N ATOM 1229 CD2 HIS A 86 10.894 -3.612 3.898 1.00 0.50 C ATOM 1230 CE1 HIS A 86 11.754 -5.619 3.861 1.00 0.30 C ATOM 1231 NE2 HIS A 86 11.576 -4.558 4.622 1.00 0.44 N ATOM 0 H HIS A 86 12.769 -3.156 0.425 1.00 0.19 H new ATOM 0 HA HIS A 86 10.165 -2.005 -0.049 1.00 0.20 H new ATOM 0 HB2 HIS A 86 9.045 -3.069 1.791 1.00 0.26 H new ATOM 0 HB3 HIS A 86 9.699 -4.347 0.786 1.00 0.26 H new ATOM 0 HD1 HIS A 86 11.223 -6.039 1.891 1.00 0.29 H new ATOM 0 HD2 HIS A 86 10.594 -2.635 4.247 1.00 0.50 H new ATOM 0 HE1 HIS A 86 12.253 -6.529 4.158 1.00 0.30 H new ATOM 1240 N LEU A 87 10.401 -0.617 2.127 1.00 0.19 N ATOM 1241 CA LEU A 87 10.704 0.420 3.104 1.00 0.19 C ATOM 1242 C LEU A 87 9.663 0.420 4.210 1.00 0.18 C ATOM 1243 O LEU A 87 8.498 0.726 3.961 1.00 0.18 O ATOM 1244 CB LEU A 87 10.720 1.794 2.437 1.00 0.21 C ATOM 1245 CG LEU A 87 11.959 2.077 1.577 1.00 0.23 C ATOM 1246 CD1 LEU A 87 11.627 1.987 0.096 1.00 0.38 C ATOM 1247 CD2 LEU A 87 12.558 3.432 1.915 1.00 0.58 C ATOM 0 H LEU A 87 9.419 -0.654 1.855 1.00 0.19 H new ATOM 0 HA LEU A 87 11.687 0.211 3.526 1.00 0.19 H new ATOM 0 HB2 LEU A 87 9.832 1.890 1.812 1.00 0.21 H new ATOM 0 HB3 LEU A 87 10.649 2.559 3.210 1.00 0.21 H new ATOM 0 HG LEU A 87 12.703 1.313 1.802 1.00 0.23 H new ATOM 0 HD11 LEU A 87 12.522 2.192 -0.491 1.00 0.38 H new ATOM 0 HD12 LEU A 87 11.263 0.986 -0.135 1.00 0.38 H new ATOM 0 HD13 LEU A 87 10.857 2.719 -0.149 1.00 0.38 H new ATOM 0 HD21 LEU A 87 13.435 3.608 1.292 1.00 0.58 H new ATOM 0 HD22 LEU A 87 11.819 4.212 1.731 1.00 0.58 H new ATOM 0 HD23 LEU A 87 12.850 3.449 2.965 1.00 0.58 H new ATOM 1259 N THR A 88 10.066 0.089 5.424 1.00 0.17 N ATOM 1260 CA THR A 88 9.135 0.107 6.532 1.00 0.15 C ATOM 1261 C THR A 88 9.095 1.484 7.155 1.00 0.18 C ATOM 1262 O THR A 88 9.869 1.800 8.057 1.00 0.22 O ATOM 1263 CB THR A 88 9.479 -0.917 7.627 1.00 0.17 C ATOM 1264 OG1 THR A 88 9.823 -2.178 7.036 1.00 0.21 O ATOM 1265 CG2 THR A 88 8.305 -1.096 8.580 1.00 0.18 C ATOM 0 H THR A 88 11.017 -0.191 5.663 1.00 0.17 H new ATOM 0 HA THR A 88 8.163 -0.162 6.118 1.00 0.15 H new ATOM 0 HB THR A 88 10.333 -0.542 8.191 1.00 0.17 H new ATOM 0 HG1 THR A 88 10.042 -2.821 7.742 1.00 0.21 H new ATOM 0 HG21 THR A 88 8.567 -1.824 9.348 1.00 0.18 H new ATOM 0 HG22 THR A 88 8.070 -0.141 9.051 1.00 0.18 H new ATOM 0 HG23 THR A 88 7.437 -1.451 8.025 1.00 0.18 H new ATOM 1273 N ARG A 89 8.204 2.309 6.648 1.00 0.19 N ATOM 1274 CA ARG A 89 7.876 3.556 7.312 1.00 0.25 C ATOM 1275 C ARG A 89 6.352 3.639 7.498 1.00 0.20 C ATOM 1276 O ARG A 89 5.674 4.501 6.934 1.00 0.24 O ATOM 1277 CB ARG A 89 8.444 4.737 6.516 1.00 0.38 C ATOM 1278 CG ARG A 89 8.499 4.454 5.060 1.00 0.33 C ATOM 1279 CD ARG A 89 7.090 4.330 4.568 1.00 1.12 C ATOM 1280 NE ARG A 89 6.875 4.522 3.161 1.00 1.99 N ATOM 1281 CZ ARG A 89 5.902 5.297 2.699 1.00 2.70 C ATOM 1282 NH1 ARG A 89 5.275 6.127 3.527 1.00 2.77 N ATOM 1283 NH2 ARG A 89 5.576 5.265 1.425 1.00 3.65 N ATOM 0 H ARG A 89 7.694 2.141 5.781 1.00 0.19 H new ATOM 0 HA ARG A 89 8.332 3.597 8.301 1.00 0.25 H new ATOM 0 HB2 ARG A 89 7.829 5.620 6.690 1.00 0.38 H new ATOM 0 HB3 ARG A 89 9.446 4.969 6.878 1.00 0.38 H new ATOM 0 HG2 ARG A 89 9.019 5.255 4.534 1.00 0.33 H new ATOM 0 HG3 ARG A 89 9.053 3.535 4.869 1.00 0.33 H new ATOM 0 HD2 ARG A 89 6.723 3.339 4.835 1.00 1.12 H new ATOM 0 HD3 ARG A 89 6.477 5.053 5.107 1.00 1.12 H new ATOM 0 HE ARG A 89 7.488 4.049 2.497 1.00 1.99 H new ATOM 0 HH11 ARG A 89 5.543 6.165 4.510 1.00 2.77 H new ATOM 0 HH12 ARG A 89 4.526 6.726 3.179 1.00 2.77 H new ATOM 0 HH21 ARG A 89 6.072 4.642 0.787 1.00 3.65 H new ATOM 0 HH22 ARG A 89 4.827 5.863 1.075 1.00 3.65 H new ATOM 1297 N PRO A 90 5.807 2.760 8.354 1.00 0.15 N ATOM 1298 CA PRO A 90 4.360 2.646 8.576 1.00 0.14 C ATOM 1299 C PRO A 90 3.805 3.894 9.229 1.00 0.16 C ATOM 1300 O PRO A 90 2.623 4.216 9.093 1.00 0.25 O ATOM 1301 CB PRO A 90 4.215 1.405 9.468 1.00 0.13 C ATOM 1302 CG PRO A 90 5.548 0.724 9.439 1.00 0.14 C ATOM 1303 CD PRO A 90 6.561 1.774 9.128 1.00 0.15 C ATOM 0 HA PRO A 90 3.796 2.545 7.649 1.00 0.14 H new ATOM 0 HB2 PRO A 90 3.941 1.684 10.485 1.00 0.13 H new ATOM 0 HB3 PRO A 90 3.431 0.746 9.096 1.00 0.13 H new ATOM 0 HG2 PRO A 90 5.762 0.252 10.398 1.00 0.14 H new ATOM 0 HG3 PRO A 90 5.564 -0.064 8.686 1.00 0.14 H new ATOM 0 HD2 PRO A 90 6.978 2.210 10.036 1.00 0.15 H new ATOM 0 HD3 PRO A 90 7.396 1.369 8.556 1.00 0.15 H new ATOM 1311 N SER A 91 4.695 4.611 9.892 1.00 0.16 N ATOM 1312 CA SER A 91 4.398 5.918 10.433 1.00 0.18 C ATOM 1313 C SER A 91 4.033 6.890 9.318 1.00 0.21 C ATOM 1314 O SER A 91 3.128 7.711 9.460 1.00 0.33 O ATOM 1315 CB SER A 91 5.633 6.437 11.164 1.00 0.27 C ATOM 1316 OG SER A 91 6.819 6.060 10.476 1.00 1.21 O ATOM 0 H SER A 91 5.649 4.297 10.069 1.00 0.16 H new ATOM 0 HA SER A 91 3.553 5.838 11.117 1.00 0.18 H new ATOM 0 HB2 SER A 91 5.584 7.523 11.246 1.00 0.27 H new ATOM 0 HB3 SER A 91 5.654 6.041 12.179 1.00 0.27 H new ATOM 0 HG SER A 91 7.600 6.403 10.958 1.00 1.21 H new ATOM 1322 N GLU A 92 4.740 6.769 8.204 1.00 0.17 N ATOM 1323 CA GLU A 92 4.683 7.762 7.153 1.00 0.20 C ATOM 1324 C GLU A 92 3.612 7.438 6.103 1.00 0.21 C ATOM 1325 O GLU A 92 3.197 8.317 5.357 1.00 0.33 O ATOM 1326 CB GLU A 92 6.067 7.899 6.524 1.00 0.30 C ATOM 1327 CG GLU A 92 6.316 9.257 5.898 1.00 0.99 C ATOM 1328 CD GLU A 92 6.313 10.366 6.922 1.00 1.98 C ATOM 1329 OE1 GLU A 92 7.296 10.487 7.675 1.00 2.78 O ATOM 1330 OE2 GLU A 92 5.320 11.125 6.973 1.00 2.37 O ATOM 0 H GLU A 92 5.363 5.985 8.008 1.00 0.17 H new ATOM 0 HA GLU A 92 4.390 8.716 7.590 1.00 0.20 H new ATOM 0 HB2 GLU A 92 6.824 7.715 7.287 1.00 0.30 H new ATOM 0 HB3 GLU A 92 6.189 7.129 5.762 1.00 0.30 H new ATOM 0 HG2 GLU A 92 7.275 9.246 5.380 1.00 0.99 H new ATOM 0 HG3 GLU A 92 5.550 9.455 5.148 1.00 0.99 H new ATOM 1337 N LEU A 93 3.168 6.184 6.027 1.00 0.17 N ATOM 1338 CA LEU A 93 1.999 5.866 5.200 1.00 0.18 C ATOM 1339 C LEU A 93 0.751 6.365 5.899 1.00 0.17 C ATOM 1340 O LEU A 93 -0.025 7.143 5.353 1.00 0.19 O ATOM 1341 CB LEU A 93 1.822 4.364 4.956 1.00 0.19 C ATOM 1342 CG LEU A 93 2.664 3.707 3.857 1.00 0.21 C ATOM 1343 CD1 LEU A 93 2.703 4.563 2.601 1.00 0.15 C ATOM 1344 CD2 LEU A 93 4.062 3.392 4.343 1.00 0.33 C ATOM 0 H LEU A 93 3.585 5.389 6.512 1.00 0.17 H new ATOM 0 HA LEU A 93 2.157 6.349 4.236 1.00 0.18 H new ATOM 0 HB2 LEU A 93 2.033 3.847 5.892 1.00 0.19 H new ATOM 0 HB3 LEU A 93 0.772 4.185 4.723 1.00 0.19 H new ATOM 0 HG LEU A 93 2.182 2.763 3.601 1.00 0.21 H new ATOM 0 HD11 LEU A 93 3.308 4.068 1.842 1.00 0.15 H new ATOM 0 HD12 LEU A 93 1.690 4.702 2.224 1.00 0.15 H new ATOM 0 HD13 LEU A 93 3.139 5.534 2.836 1.00 0.15 H new ATOM 0 HD21 LEU A 93 4.631 2.927 3.538 1.00 0.33 H new ATOM 0 HD22 LEU A 93 4.556 4.313 4.651 1.00 0.33 H new ATOM 0 HD23 LEU A 93 4.007 2.708 5.190 1.00 0.33 H new ATOM 1356 N GLN A 94 0.600 5.944 7.145 1.00 0.16 N ATOM 1357 CA GLN A 94 -0.579 6.270 7.939 1.00 0.18 C ATOM 1358 C GLN A 94 -0.659 7.782 8.111 1.00 0.18 C ATOM 1359 O GLN A 94 -1.721 8.343 8.365 1.00 0.20 O ATOM 1360 CB GLN A 94 -0.490 5.566 9.298 1.00 0.17 C ATOM 1361 CG GLN A 94 -1.580 4.531 9.558 1.00 0.36 C ATOM 1362 CD GLN A 94 -2.977 5.112 9.575 1.00 0.67 C ATOM 1363 OE1 GLN A 94 -3.647 5.062 8.439 1.00 1.81 O flip ATOM 1364 NE2 GLN A 94 -3.461 5.573 10.608 1.00 0.34 N flip ATOM 0 H GLN A 94 1.286 5.369 7.634 1.00 0.16 H new ATOM 0 HA GLN A 94 -1.482 5.927 7.434 1.00 0.18 H new ATOM 0 HB2 GLN A 94 0.481 5.077 9.374 1.00 0.17 H new ATOM 0 HB3 GLN A 94 -0.530 6.320 10.084 1.00 0.17 H new ATOM 0 HG2 GLN A 94 -1.526 3.759 8.791 1.00 0.36 H new ATOM 0 HG3 GLN A 94 -1.386 4.044 10.514 1.00 0.36 H new ATOM 0 HE21 GLN A 94 -2.909 5.593 11.465 1.00 0.34 H new ATOM 0 HE22 GLN A 94 -4.415 5.935 10.607 1.00 0.34 H new ATOM 1373 N ALA A 95 0.488 8.417 7.927 1.00 0.18 N ATOM 1374 CA ALA A 95 0.612 9.860 7.971 1.00 0.19 C ATOM 1375 C ALA A 95 -0.118 10.536 6.826 1.00 0.15 C ATOM 1376 O ALA A 95 -0.923 11.422 7.058 1.00 0.18 O ATOM 1377 CB ALA A 95 2.064 10.244 7.923 1.00 0.21 C ATOM 0 H ALA A 95 1.368 7.936 7.741 1.00 0.18 H new ATOM 0 HA ALA A 95 0.157 10.196 8.903 1.00 0.19 H new ATOM 0 HB1 ALA A 95 2.155 11.330 7.956 1.00 0.21 H new ATOM 0 HB2 ALA A 95 2.583 9.810 8.777 1.00 0.21 H new ATOM 0 HB3 ALA A 95 2.509 9.871 7.000 1.00 0.21 H new ATOM 1383 N VAL A 96 0.166 10.136 5.586 1.00 0.11 N ATOM 1384 CA VAL A 96 -0.493 10.755 4.453 1.00 0.12 C ATOM 1385 C VAL A 96 -1.918 10.264 4.391 1.00 0.11 C ATOM 1386 O VAL A 96 -2.774 10.917 3.839 1.00 0.11 O ATOM 1387 CB VAL A 96 0.213 10.526 3.085 1.00 0.14 C ATOM 1388 CG1 VAL A 96 1.514 9.770 3.241 1.00 0.19 C ATOM 1389 CG2 VAL A 96 -0.701 9.815 2.098 1.00 0.16 C ATOM 0 H VAL A 96 0.834 9.402 5.351 1.00 0.11 H new ATOM 0 HA VAL A 96 -0.449 11.831 4.619 1.00 0.12 H new ATOM 0 HB VAL A 96 0.447 11.512 2.684 1.00 0.14 H new ATOM 0 HG11 VAL A 96 1.974 9.632 2.263 1.00 0.19 H new ATOM 0 HG12 VAL A 96 2.189 10.336 3.883 1.00 0.19 H new ATOM 0 HG13 VAL A 96 1.318 8.797 3.690 1.00 0.19 H new ATOM 0 HG21 VAL A 96 -0.176 9.672 1.154 1.00 0.16 H new ATOM 0 HG22 VAL A 96 -0.990 8.845 2.503 1.00 0.16 H new ATOM 0 HG23 VAL A 96 -1.593 10.418 1.929 1.00 0.16 H new ATOM 1399 N ILE A 97 -2.179 9.113 4.971 1.00 0.11 N ATOM 1400 CA ILE A 97 -3.537 8.686 5.135 1.00 0.11 C ATOM 1401 C ILE A 97 -4.243 9.713 5.993 1.00 0.12 C ATOM 1402 O ILE A 97 -5.195 10.344 5.557 1.00 0.13 O ATOM 1403 CB ILE A 97 -3.605 7.294 5.764 1.00 0.11 C ATOM 1404 CG1 ILE A 97 -3.317 6.241 4.698 1.00 0.12 C ATOM 1405 CG2 ILE A 97 -4.949 7.062 6.412 1.00 0.12 C ATOM 1406 CD1 ILE A 97 -2.745 4.963 5.255 1.00 0.16 C ATOM 0 H ILE A 97 -1.474 8.469 5.330 1.00 0.11 H new ATOM 0 HA ILE A 97 -4.027 8.611 4.164 1.00 0.11 H new ATOM 0 HB ILE A 97 -2.850 7.217 6.547 1.00 0.11 H new ATOM 0 HG12 ILE A 97 -4.240 6.014 4.164 1.00 0.12 H new ATOM 0 HG13 ILE A 97 -2.620 6.654 3.969 1.00 0.12 H new ATOM 0 HG21 ILE A 97 -4.973 6.065 6.852 1.00 0.12 H new ATOM 0 HG22 ILE A 97 -5.111 7.807 7.191 1.00 0.12 H new ATOM 0 HG23 ILE A 97 -5.734 7.146 5.661 1.00 0.12 H new ATOM 0 HD11 ILE A 97 -2.565 4.260 4.442 1.00 0.16 H new ATOM 0 HD12 ILE A 97 -1.805 5.177 5.765 1.00 0.16 H new ATOM 0 HD13 ILE A 97 -3.450 4.527 5.962 1.00 0.16 H new ATOM 1418 N ASP A 98 -3.701 9.929 7.180 1.00 0.14 N ATOM 1419 CA ASP A 98 -4.207 10.946 8.092 1.00 0.17 C ATOM 1420 C ASP A 98 -4.239 12.321 7.419 1.00 0.17 C ATOM 1421 O ASP A 98 -5.218 13.058 7.531 1.00 0.20 O ATOM 1422 CB ASP A 98 -3.324 10.991 9.346 1.00 0.21 C ATOM 1423 CG ASP A 98 -3.593 12.198 10.225 1.00 0.67 C ATOM 1424 OD1 ASP A 98 -4.588 12.184 10.984 1.00 1.03 O ATOM 1425 OD2 ASP A 98 -2.806 13.166 10.171 1.00 0.98 O ATOM 0 H ASP A 98 -2.901 9.408 7.539 1.00 0.14 H new ATOM 0 HA ASP A 98 -5.228 10.687 8.373 1.00 0.17 H new ATOM 0 HB2 ASP A 98 -3.484 10.083 9.928 1.00 0.21 H new ATOM 0 HB3 ASP A 98 -2.277 10.996 9.045 1.00 0.21 H new ATOM 1430 N SER A 99 -3.174 12.635 6.692 1.00 0.15 N ATOM 1431 CA SER A 99 -3.009 13.943 6.070 1.00 0.16 C ATOM 1432 C SER A 99 -3.888 14.100 4.824 1.00 0.16 C ATOM 1433 O SER A 99 -4.744 14.987 4.760 1.00 0.20 O ATOM 1434 CB SER A 99 -1.534 14.160 5.728 1.00 0.18 C ATOM 1435 OG SER A 99 -1.325 15.386 5.045 1.00 0.70 O ATOM 0 H SER A 99 -2.402 11.992 6.517 1.00 0.15 H new ATOM 0 HA SER A 99 -3.333 14.704 6.780 1.00 0.16 H new ATOM 0 HB2 SER A 99 -0.943 14.149 6.644 1.00 0.18 H new ATOM 0 HB3 SER A 99 -1.179 13.335 5.110 1.00 0.18 H new ATOM 0 HG SER A 99 -0.371 15.491 4.845 1.00 0.70 H new ATOM 1441 N ASP A 100 -3.684 13.231 3.841 1.00 0.14 N ATOM 1442 CA ASP A 100 -4.388 13.304 2.571 1.00 0.16 C ATOM 1443 C ASP A 100 -5.854 12.914 2.688 1.00 0.16 C ATOM 1444 O ASP A 100 -6.595 13.046 1.734 1.00 0.18 O ATOM 1445 CB ASP A 100 -3.693 12.448 1.537 1.00 0.17 C ATOM 1446 CG ASP A 100 -2.906 13.267 0.533 1.00 0.41 C ATOM 1447 OD1 ASP A 100 -3.514 13.816 -0.410 1.00 0.72 O ATOM 1448 OD2 ASP A 100 -1.671 13.371 0.687 1.00 0.57 O ATOM 0 H ASP A 100 -3.024 12.456 3.904 1.00 0.14 H new ATOM 0 HA ASP A 100 -4.365 14.346 2.253 1.00 0.16 H new ATOM 0 HB2 ASP A 100 -3.021 11.753 2.039 1.00 0.17 H new ATOM 0 HB3 ASP A 100 -4.435 11.849 1.009 1.00 0.17 H new ATOM 1453 N LYS A 101 -6.276 12.401 3.838 1.00 0.15 N ATOM 1454 CA LYS A 101 -7.696 12.135 4.075 1.00 0.16 C ATOM 1455 C LYS A 101 -8.541 13.388 3.834 1.00 0.20 C ATOM 1456 O LYS A 101 -9.732 13.306 3.538 1.00 0.22 O ATOM 1457 CB LYS A 101 -7.916 11.677 5.504 1.00 0.16 C ATOM 1458 CG LYS A 101 -8.351 10.233 5.660 1.00 0.17 C ATOM 1459 CD LYS A 101 -7.639 9.582 6.826 1.00 0.17 C ATOM 1460 CE LYS A 101 -7.949 10.292 8.127 1.00 0.26 C ATOM 1461 NZ LYS A 101 -9.247 9.868 8.711 1.00 1.26 N ATOM 0 H LYS A 101 -5.663 12.161 4.617 1.00 0.15 H new ATOM 0 HA LYS A 101 -8.001 11.354 3.379 1.00 0.16 H new ATOM 0 HB2 LYS A 101 -6.991 11.823 6.062 1.00 0.16 H new ATOM 0 HB3 LYS A 101 -8.669 12.318 5.962 1.00 0.16 H new ATOM 0 HG2 LYS A 101 -9.429 10.188 5.815 1.00 0.17 H new ATOM 0 HG3 LYS A 101 -8.137 9.683 4.744 1.00 0.17 H new ATOM 0 HD2 LYS A 101 -7.938 8.537 6.900 1.00 0.17 H new ATOM 0 HD3 LYS A 101 -6.563 9.594 6.650 1.00 0.17 H new ATOM 0 HE2 LYS A 101 -7.151 10.096 8.843 1.00 0.26 H new ATOM 0 HE3 LYS A 101 -7.966 11.368 7.955 1.00 0.26 H new ATOM 0 HZ1 LYS A 101 -9.832 10.706 8.903 1.00 1.26 H new ATOM 0 HZ2 LYS A 101 -9.743 9.246 8.041 1.00 1.26 H new ATOM 0 HZ3 LYS A 101 -9.077 9.354 9.599 1.00 1.26 H new ATOM 1475 N SER A 102 -7.925 14.550 3.988 1.00 0.23 N ATOM 1476 CA SER A 102 -8.602 15.805 3.703 1.00 0.28 C ATOM 1477 C SER A 102 -8.814 15.937 2.191 1.00 0.30 C ATOM 1478 O SER A 102 -9.658 16.702 1.725 1.00 0.38 O ATOM 1479 CB SER A 102 -7.784 16.982 4.242 1.00 0.36 C ATOM 1480 OG SER A 102 -8.629 18.050 4.646 1.00 1.23 O ATOM 0 H SER A 102 -6.961 14.650 4.307 1.00 0.23 H new ATOM 0 HA SER A 102 -9.573 15.814 4.198 1.00 0.28 H new ATOM 0 HB2 SER A 102 -7.180 16.652 5.087 1.00 0.36 H new ATOM 0 HB3 SER A 102 -7.094 17.331 3.474 1.00 0.36 H new ATOM 0 HG SER A 102 -8.082 18.788 4.988 1.00 1.23 H new ATOM 1486 N ASN A 103 -8.038 15.166 1.444 1.00 0.27 N ATOM 1487 CA ASN A 103 -8.145 15.100 -0.004 1.00 0.29 C ATOM 1488 C ASN A 103 -9.063 13.944 -0.391 1.00 0.28 C ATOM 1489 O ASN A 103 -9.840 14.036 -1.346 1.00 0.37 O ATOM 1490 CB ASN A 103 -6.752 14.901 -0.620 1.00 0.33 C ATOM 1491 CG ASN A 103 -6.646 15.465 -2.029 1.00 0.37 C ATOM 1492 OD1 ASN A 103 -7.364 16.397 -2.395 1.00 0.87 O ATOM 1493 ND2 ASN A 103 -5.736 14.920 -2.823 1.00 0.93 N ATOM 0 H ASN A 103 -7.311 14.564 1.830 1.00 0.27 H new ATOM 0 HA ASN A 103 -8.565 16.032 -0.382 1.00 0.29 H new ATOM 0 HB2 ASN A 103 -6.007 15.380 0.015 1.00 0.33 H new ATOM 0 HB3 ASN A 103 -6.517 13.837 -0.641 1.00 0.33 H new ATOM 0 HD21 ASN A 103 -5.612 15.271 -3.773 1.00 0.93 H new ATOM 0 HD22 ASN A 103 -5.160 14.149 -2.485 1.00 0.93 H new ATOM 1500 N TYR A 104 -8.970 12.859 0.371 1.00 0.21 N ATOM 1501 CA TYR A 104 -9.795 11.679 0.158 1.00 0.22 C ATOM 1502 C TYR A 104 -10.165 11.067 1.491 1.00 0.21 C ATOM 1503 O TYR A 104 -9.298 10.761 2.294 1.00 0.20 O ATOM 1504 CB TYR A 104 -9.069 10.608 -0.664 1.00 0.23 C ATOM 1505 CG TYR A 104 -7.765 11.046 -1.274 1.00 0.21 C ATOM 1506 CD1 TYR A 104 -6.655 11.250 -0.478 1.00 0.18 C ATOM 1507 CD2 TYR A 104 -7.649 11.278 -2.639 1.00 0.25 C ATOM 1508 CE1 TYR A 104 -5.461 11.668 -1.014 1.00 0.21 C ATOM 1509 CE2 TYR A 104 -6.456 11.697 -3.189 1.00 0.27 C ATOM 1510 CZ TYR A 104 -5.360 11.814 -2.423 1.00 0.22 C ATOM 1511 OH TYR A 104 -4.173 12.305 -2.926 1.00 0.30 O ATOM 0 H TYR A 104 -8.320 12.775 1.153 1.00 0.21 H new ATOM 0 HA TYR A 104 -10.680 12.004 -0.388 1.00 0.22 H new ATOM 0 HB2 TYR A 104 -8.881 9.746 -0.024 1.00 0.23 H new ATOM 0 HB3 TYR A 104 -9.732 10.274 -1.462 1.00 0.23 H new ATOM 0 HD1 TYR A 104 -6.727 11.078 0.586 1.00 0.18 H new ATOM 0 HD2 TYR A 104 -8.506 11.128 -3.279 1.00 0.25 H new ATOM 0 HE1 TYR A 104 -4.616 11.881 -0.376 1.00 0.21 H new ATOM 0 HE2 TYR A 104 -6.403 11.932 -4.242 1.00 0.27 H new ATOM 0 HH TYR A 104 -4.276 12.493 -3.882 1.00 0.30 H new ATOM 1521 N CYS A 105 -11.446 10.923 1.729 1.00 0.28 N ATOM 1522 CA CYS A 105 -11.948 10.235 2.890 1.00 0.31 C ATOM 1523 C CYS A 105 -13.393 9.840 2.617 1.00 0.45 C ATOM 1524 O CYS A 105 -14.023 10.409 1.723 1.00 0.63 O ATOM 1525 CB CYS A 105 -11.783 11.119 4.129 1.00 0.27 C ATOM 1526 SG CYS A 105 -13.053 10.912 5.400 1.00 0.38 S ATOM 0 H CYS A 105 -12.176 11.285 1.115 1.00 0.28 H new ATOM 0 HA CYS A 105 -11.384 9.324 3.092 1.00 0.31 H new ATOM 0 HB2 CYS A 105 -10.810 10.914 4.574 1.00 0.27 H new ATOM 0 HB3 CYS A 105 -11.775 12.162 3.813 1.00 0.27 H new ATOM 0 HG CYS A 105 -12.825 9.820 6.067 1.00 0.38 H new