USER MOD reduce.3.24.130724 H: found=0, std=0, add=876, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 872 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 79 TYR OH : rot 179:sc= 1.3 USER MOD Set 1.2: A 101 SER OG : rot -140:sc= 0.0346 USER MOD Set 1.3: A 103 LYS NZ :NH3+ -145:sc=-0.00722 (180deg=-1.16) USER MOD Set 2.1: A 93 ASN : amide:sc= -3.46! C(o=-3.4!,f=-3.4!) USER MOD Set 2.2: A 100 ASN : amide:sc= 0.0953 K(o=-3.4,f=-4.3) USER MOD Set 3.1: A 67 LYS NZ :NH3+ 134:sc= 0.938 (180deg=0) USER MOD Set 3.2: A 78 GLN : amide:sc= 0.104 K(o=4,f=-0.58) USER MOD Set 3.3: A 95 SER OG : rot -139:sc= 1.78 USER MOD Set 3.4: A 97 LYS NZ :NH3+ -147:sc= 1.16 (180deg=0) USER MOD Set 4.1: A 69 TYR OH : rot 180:sc= 0.0374 USER MOD Set 4.2: A 75 CYS SG : rot -59:sc= 2.19 USER MOD Set 5.1: A 42 TYR OH : rot 90:sc= 0.725 USER MOD Set 5.2: A 49 ASN : amide:sc= 0.808 X(o=1.5,f=1.3) USER MOD Set 6.1: A 34 ASN : amide:sc= 0.306 X(o=0.31,f=0) USER MOD Set 6.2: A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ 176:sc= 1.37 (180deg=1.22) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 GLN : amide:sc= -0.92 K(o=-0.92,f=-6.9!) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 GLN : amide:sc= 0.795 K(o=0.8,f=-0.016) USER MOD Single : A 29 THR OG1 : rot -65:sc= -0.286 USER MOD Single : A 30 CYS SG : rot 180:sc= -0.0645 USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot 146:sc= 1.14 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 TYR OH : rot 71:sc= 0.114 USER MOD Single : A 43 THR OG1 : rot 180:sc= 0.0015 USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 TYR OH : rot -22:sc= 0.348 USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 HIS : no HD1:sc= -0.496 K(o=-0.5,f=-1.2) USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 HIS : no HD1:sc= -0.273 X(o=-0.27,f=-0.53) USER MOD Single : A 83 LYS NZ :NH3+ -176:sc= 1.25 (180deg=1.2) USER MOD Single : A 85 THR OG1 : rot 180:sc= 0.268 USER MOD Single : A 86 SER OG : rot -31:sc= 0.028 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 MET CE :methyl 164:sc= -0.12 (180deg=-0.553) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 LYS NZ :NH3+ -146:sc= 0.657 (180deg=0.137) USER MOD Single : A 108 TYR OH : rot 180:sc= 0 USER MOD Single : A 109 ASN : amide:sc= -0.183 X(o=-0.18,f=-0.12) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 24.549 -8.526 -5.264 1.00 31.12 N ATOM 2 CA GLY A 1 24.639 -7.083 -5.513 1.00 22.44 C ATOM 3 C GLY A 1 23.584 -6.391 -4.679 1.00 61.34 C ATOM 4 O GLY A 1 23.859 -5.959 -3.560 1.00 32.11 O ATOM 0 H1 GLY A 1 25.221 -9.027 -5.879 1.00 31.12 H new ATOM 0 H2 GLY A 1 24.779 -8.722 -4.269 1.00 31.12 H new ATOM 0 H3 GLY A 1 23.583 -8.854 -5.467 1.00 31.12 H new ATOM 0 HA2 GLY A 1 25.631 -6.714 -5.253 1.00 22.44 H new ATOM 0 HA3 GLY A 1 24.487 -6.870 -6.571 1.00 22.44 H new ATOM 8 N ASP A 2 22.350 -6.329 -5.179 1.00 14.04 N ATOM 9 CA ASP A 2 21.195 -6.413 -4.287 1.00 44.04 C ATOM 10 C ASP A 2 21.190 -7.808 -3.637 1.00 74.11 C ATOM 11 O ASP A 2 21.872 -8.707 -4.124 1.00 13.21 O ATOM 12 CB ASP A 2 19.909 -6.147 -5.080 1.00 61.34 C ATOM 13 CG ASP A 2 19.268 -7.429 -5.608 1.00 51.12 C ATOM 14 OD1 ASP A 2 19.749 -7.963 -6.629 1.00 25.41 O ATOM 15 OD2 ASP A 2 18.291 -7.895 -4.980 1.00 21.41 O ATOM 0 H ASP A 2 22.128 -6.224 -6.169 1.00 14.04 H new ATOM 0 HA ASP A 2 21.252 -5.660 -3.501 1.00 44.04 H new ATOM 0 HB2 ASP A 2 19.195 -5.624 -4.443 1.00 61.34 H new ATOM 0 HB3 ASP A 2 20.133 -5.486 -5.917 1.00 61.34 H new ATOM 20 N GLU A 3 20.414 -8.034 -2.580 1.00 33.41 N ATOM 21 CA GLU A 3 20.253 -9.352 -1.958 1.00 33.35 C ATOM 22 C GLU A 3 18.769 -9.586 -1.631 1.00 72.24 C ATOM 23 O GLU A 3 18.408 -10.376 -0.758 1.00 44.14 O ATOM 24 CB GLU A 3 21.209 -9.543 -0.760 1.00 30.45 C ATOM 25 CG GLU A 3 22.603 -10.066 -1.161 1.00 5.02 C ATOM 26 CD GLU A 3 23.569 -9.021 -1.720 1.00 42.23 C ATOM 27 OE1 GLU A 3 23.635 -7.889 -1.185 1.00 65.23 O ATOM 28 OE2 GLU A 3 24.334 -9.344 -2.656 1.00 61.41 O ATOM 0 H GLU A 3 19.872 -7.301 -2.124 1.00 33.41 H new ATOM 0 HA GLU A 3 20.548 -10.130 -2.662 1.00 33.35 H new ATOM 0 HB2 GLU A 3 21.323 -8.591 -0.241 1.00 30.45 H new ATOM 0 HB3 GLU A 3 20.758 -10.240 -0.053 1.00 30.45 H new ATOM 0 HG2 GLU A 3 23.063 -10.528 -0.287 1.00 5.02 H new ATOM 0 HG3 GLU A 3 22.475 -10.851 -1.906 1.00 5.02 H new ATOM 35 N ASP A 4 17.903 -8.929 -2.402 1.00 63.31 N ATOM 36 CA ASP A 4 16.454 -8.873 -2.272 1.00 45.01 C ATOM 37 C ASP A 4 16.059 -8.171 -0.986 1.00 64.50 C ATOM 38 O ASP A 4 15.180 -8.601 -0.245 1.00 13.31 O ATOM 39 CB ASP A 4 15.771 -10.218 -2.494 1.00 72.31 C ATOM 40 CG ASP A 4 14.376 -10.007 -3.094 1.00 43.03 C ATOM 41 OD1 ASP A 4 13.786 -8.912 -2.938 1.00 24.42 O ATOM 42 OD2 ASP A 4 13.931 -10.928 -3.825 1.00 73.33 O ATOM 0 H ASP A 4 18.227 -8.379 -3.197 1.00 63.31 H new ATOM 0 HA ASP A 4 16.071 -8.262 -3.089 1.00 45.01 H new ATOM 0 HB2 ASP A 4 16.373 -10.835 -3.161 1.00 72.31 H new ATOM 0 HB3 ASP A 4 15.692 -10.755 -1.549 1.00 72.31 H new ATOM 47 N ASP A 5 16.799 -7.107 -0.688 1.00 42.02 N ATOM 48 CA ASP A 5 16.726 -6.393 0.576 1.00 22.53 C ATOM 49 C ASP A 5 17.075 -4.914 0.371 1.00 53.31 C ATOM 50 O ASP A 5 17.863 -4.353 1.138 1.00 52.03 O ATOM 51 CB ASP A 5 17.627 -7.083 1.627 1.00 14.02 C ATOM 52 CG ASP A 5 16.988 -8.305 2.291 1.00 31.41 C ATOM 53 OD1 ASP A 5 15.846 -8.205 2.800 1.00 54.03 O ATOM 54 OD2 ASP A 5 17.701 -9.323 2.478 1.00 41.33 O ATOM 0 H ASP A 5 17.480 -6.711 -1.335 1.00 42.02 H new ATOM 0 HA ASP A 5 15.706 -6.425 0.960 1.00 22.53 H new ATOM 0 HB2 ASP A 5 18.558 -7.388 1.148 1.00 14.02 H new ATOM 0 HB3 ASP A 5 17.888 -6.358 2.398 1.00 14.02 H new ATOM 59 N LYS A 6 16.492 -4.226 -0.620 1.00 54.20 N ATOM 60 CA LYS A 6 16.537 -2.758 -0.671 1.00 11.11 C ATOM 61 C LYS A 6 15.207 -2.175 -1.118 1.00 24.24 C ATOM 62 O LYS A 6 14.563 -2.693 -2.027 1.00 4.33 O ATOM 63 CB LYS A 6 17.658 -2.232 -1.587 1.00 30.21 C ATOM 64 CG LYS A 6 18.971 -2.019 -0.817 1.00 1.15 C ATOM 65 CD LYS A 6 19.819 -0.924 -1.471 1.00 44.11 C ATOM 66 CE LYS A 6 21.109 -0.703 -0.669 1.00 54.32 C ATOM 67 NZ LYS A 6 21.934 0.380 -1.245 1.00 71.54 N ATOM 0 H LYS A 6 15.987 -4.659 -1.393 1.00 54.20 H new ATOM 0 HA LYS A 6 16.749 -2.432 0.347 1.00 11.11 H new ATOM 0 HB2 LYS A 6 17.824 -2.938 -2.401 1.00 30.21 H new ATOM 0 HB3 LYS A 6 17.346 -1.291 -2.040 1.00 30.21 H new ATOM 0 HG2 LYS A 6 18.751 -1.746 0.215 1.00 1.15 H new ATOM 0 HG3 LYS A 6 19.535 -2.951 -0.787 1.00 1.15 H new ATOM 0 HD2 LYS A 6 20.063 -1.206 -2.495 1.00 44.11 H new ATOM 0 HD3 LYS A 6 19.250 0.005 -1.522 1.00 44.11 H new ATOM 0 HE2 LYS A 6 20.858 -0.459 0.363 1.00 54.32 H new ATOM 0 HE3 LYS A 6 21.686 -1.627 -0.647 1.00 54.32 H new ATOM 0 HZ1 LYS A 6 22.796 0.499 -0.676 1.00 71.54 H new ATOM 0 HZ2 LYS A 6 22.195 0.136 -2.222 1.00 71.54 H new ATOM 0 HZ3 LYS A 6 21.392 1.268 -1.243 1.00 71.54 H new ATOM 81 N VAL A 7 14.857 -1.055 -0.488 1.00 14.42 N ATOM 82 CA VAL A 7 13.729 -0.230 -0.867 1.00 3.05 C ATOM 83 C VAL A 7 14.003 0.354 -2.252 1.00 5.01 C ATOM 84 O VAL A 7 15.017 1.029 -2.469 1.00 44.11 O ATOM 85 CB VAL A 7 13.436 0.804 0.241 1.00 12.44 C ATOM 86 CG1 VAL A 7 14.629 1.700 0.603 1.00 65.21 C ATOM 87 CG2 VAL A 7 12.253 1.712 -0.119 1.00 73.50 C ATOM 0 H VAL A 7 15.367 -0.694 0.318 1.00 14.42 H new ATOM 0 HA VAL A 7 12.809 -0.808 -0.954 1.00 3.05 H new ATOM 0 HB VAL A 7 13.199 0.191 1.110 1.00 12.44 H new ATOM 0 HG11 VAL A 7 14.336 2.396 1.389 1.00 65.21 H new ATOM 0 HG12 VAL A 7 15.455 1.082 0.955 1.00 65.21 H new ATOM 0 HG13 VAL A 7 14.945 2.259 -0.278 1.00 65.21 H new ATOM 0 HG21 VAL A 7 12.082 2.424 0.688 1.00 73.50 H new ATOM 0 HG22 VAL A 7 12.476 2.253 -1.039 1.00 73.50 H new ATOM 0 HG23 VAL A 7 11.359 1.105 -0.263 1.00 73.50 H new ATOM 97 N GLU A 8 13.086 0.067 -3.172 1.00 61.40 N ATOM 98 CA GLU A 8 13.097 0.543 -4.551 1.00 31.45 C ATOM 99 C GLU A 8 11.681 0.899 -5.017 1.00 22.34 C ATOM 100 O GLU A 8 10.695 0.636 -4.322 1.00 3.24 O ATOM 101 CB GLU A 8 13.708 -0.532 -5.457 1.00 54.10 C ATOM 102 CG GLU A 8 15.233 -0.458 -5.582 1.00 21.34 C ATOM 103 CD GLU A 8 15.643 -1.001 -6.950 1.00 22.33 C ATOM 104 OE1 GLU A 8 15.503 -0.248 -7.943 1.00 22.33 O ATOM 105 OE2 GLU A 8 16.020 -2.189 -7.041 1.00 25.21 O ATOM 0 H GLU A 8 12.283 -0.528 -2.968 1.00 61.40 H new ATOM 0 HA GLU A 8 13.703 1.447 -4.608 1.00 31.45 H new ATOM 0 HB2 GLU A 8 13.434 -1.514 -5.072 1.00 54.10 H new ATOM 0 HB3 GLU A 8 13.269 -0.446 -6.451 1.00 54.10 H new ATOM 0 HG2 GLU A 8 15.571 0.572 -5.468 1.00 21.34 H new ATOM 0 HG3 GLU A 8 15.705 -1.038 -4.789 1.00 21.34 H new ATOM 112 N ILE A 9 11.590 1.534 -6.188 1.00 44.42 N ATOM 113 CA ILE A 9 10.358 2.004 -6.809 1.00 41.04 C ATOM 114 C ILE A 9 9.595 0.835 -7.470 1.00 74.21 C ATOM 115 O ILE A 9 8.489 0.548 -7.011 1.00 63.13 O ATOM 116 CB ILE A 9 10.671 3.200 -7.747 1.00 21.12 C ATOM 117 CG1 ILE A 9 11.311 4.403 -7.009 1.00 62.30 C ATOM 118 CG2 ILE A 9 9.425 3.661 -8.525 1.00 30.45 C ATOM 119 CD1 ILE A 9 10.454 5.057 -5.915 1.00 3.43 C ATOM 0 H ILE A 9 12.414 1.742 -6.752 1.00 44.42 H new ATOM 0 HA ILE A 9 9.671 2.388 -6.055 1.00 41.04 H new ATOM 0 HB ILE A 9 11.408 2.824 -8.456 1.00 21.12 H new ATOM 0 HG12 ILE A 9 12.247 4.071 -6.559 1.00 62.30 H new ATOM 0 HG13 ILE A 9 11.564 5.164 -7.748 1.00 62.30 H new ATOM 0 HG21 ILE A 9 9.688 4.500 -9.169 1.00 30.45 H new ATOM 0 HG22 ILE A 9 9.052 2.838 -9.135 1.00 30.45 H new ATOM 0 HG23 ILE A 9 8.652 3.972 -7.822 1.00 30.45 H new ATOM 0 HD11 ILE A 9 11.004 5.886 -5.469 1.00 3.43 H new ATOM 0 HD12 ILE A 9 9.528 5.430 -6.352 1.00 3.43 H new ATOM 0 HD13 ILE A 9 10.221 4.320 -5.146 1.00 3.43 H new ATOM 131 N PRO A 10 10.101 0.112 -8.492 1.00 25.12 N ATOM 132 CA PRO A 10 9.293 -0.873 -9.221 1.00 10.03 C ATOM 133 C PRO A 10 8.871 -2.086 -8.370 1.00 62.52 C ATOM 134 O PRO A 10 7.915 -2.795 -8.705 1.00 30.33 O ATOM 135 CB PRO A 10 10.125 -1.272 -10.442 1.00 31.53 C ATOM 136 CG PRO A 10 11.562 -0.976 -10.022 1.00 31.34 C ATOM 137 CD PRO A 10 11.409 0.240 -9.117 1.00 53.20 C ATOM 0 HA PRO A 10 8.339 -0.434 -9.513 1.00 10.03 H new ATOM 0 HB2 PRO A 10 9.990 -2.325 -10.690 1.00 31.53 H new ATOM 0 HB3 PRO A 10 9.841 -0.698 -11.324 1.00 31.53 H new ATOM 0 HG2 PRO A 10 12.010 -1.818 -9.495 1.00 31.34 H new ATOM 0 HG3 PRO A 10 12.198 -0.763 -10.881 1.00 31.34 H new ATOM 0 HD2 PRO A 10 12.199 0.270 -8.367 1.00 53.20 H new ATOM 0 HD3 PRO A 10 11.479 1.164 -9.690 1.00 53.20 H new ATOM 145 N GLN A 11 9.520 -2.311 -7.227 1.00 61.53 N ATOM 146 CA GLN A 11 9.077 -3.292 -6.246 1.00 64.52 C ATOM 147 C GLN A 11 7.696 -2.897 -5.727 1.00 42.32 C ATOM 148 O GLN A 11 6.791 -3.731 -5.705 1.00 12.14 O ATOM 149 CB GLN A 11 10.132 -3.457 -5.137 1.00 74.44 C ATOM 150 CG GLN A 11 11.383 -4.256 -5.554 1.00 43.42 C ATOM 151 CD GLN A 11 11.963 -3.846 -6.905 1.00 44.34 C ATOM 152 OE1 GLN A 11 12.424 -2.724 -7.095 1.00 22.55 O ATOM 153 NE2 GLN A 11 11.868 -4.694 -7.907 1.00 74.24 N ATOM 0 H GLN A 11 10.370 -1.815 -6.958 1.00 61.53 H new ATOM 0 HA GLN A 11 8.975 -4.275 -6.706 1.00 64.52 H new ATOM 0 HB2 GLN A 11 10.444 -2.468 -4.801 1.00 74.44 H new ATOM 0 HB3 GLN A 11 9.669 -3.952 -4.284 1.00 74.44 H new ATOM 0 HG2 GLN A 11 12.150 -4.134 -4.789 1.00 43.42 H new ATOM 0 HG3 GLN A 11 11.130 -5.316 -5.586 1.00 43.42 H new ATOM 0 HE21 GLN A 11 11.485 -5.627 -7.751 1.00 74.24 H new ATOM 0 HE22 GLN A 11 12.177 -4.419 -8.839 1.00 74.24 H new ATOM 162 N LEU A 12 7.483 -1.616 -5.409 1.00 1.41 N ATOM 163 CA LEU A 12 6.172 -1.124 -5.004 1.00 45.45 C ATOM 164 C LEU A 12 5.145 -1.373 -6.105 1.00 30.12 C ATOM 165 O LEU A 12 4.051 -1.816 -5.791 1.00 4.10 O ATOM 166 CB LEU A 12 6.228 0.378 -4.689 1.00 11.41 C ATOM 167 CG LEU A 12 4.885 0.983 -4.233 1.00 54.44 C ATOM 168 CD1 LEU A 12 4.494 0.583 -2.808 1.00 10.11 C ATOM 169 CD2 LEU A 12 4.990 2.498 -4.345 1.00 61.41 C ATOM 0 H LEU A 12 8.210 -0.901 -5.426 1.00 1.41 H new ATOM 0 HA LEU A 12 5.875 -1.664 -4.105 1.00 45.45 H new ATOM 0 HB2 LEU A 12 6.972 0.546 -3.910 1.00 11.41 H new ATOM 0 HB3 LEU A 12 6.570 0.911 -5.576 1.00 11.41 H new ATOM 0 HG LEU A 12 4.099 0.591 -4.878 1.00 54.44 H new ATOM 0 HD11 LEU A 12 3.540 1.042 -2.550 1.00 10.11 H new ATOM 0 HD12 LEU A 12 4.403 -0.501 -2.746 1.00 10.11 H new ATOM 0 HD13 LEU A 12 5.260 0.923 -2.111 1.00 10.11 H new ATOM 0 HD21 LEU A 12 4.051 2.952 -4.028 1.00 61.41 H new ATOM 0 HD22 LEU A 12 5.799 2.855 -3.708 1.00 61.41 H new ATOM 0 HD23 LEU A 12 5.195 2.773 -5.380 1.00 61.41 H new ATOM 181 N VAL A 13 5.492 -1.139 -7.373 1.00 24.13 N ATOM 182 CA VAL A 13 4.629 -1.323 -8.549 1.00 22.44 C ATOM 183 C VAL A 13 4.138 -2.790 -8.701 1.00 12.11 C ATOM 184 O VAL A 13 3.300 -3.121 -9.543 1.00 42.15 O ATOM 185 CB VAL A 13 5.388 -0.759 -9.776 1.00 44.42 C ATOM 186 CG1 VAL A 13 4.601 -0.896 -11.072 1.00 13.14 C ATOM 187 CG2 VAL A 13 5.738 0.732 -9.609 1.00 5.31 C ATOM 0 H VAL A 13 6.422 -0.801 -7.622 1.00 24.13 H new ATOM 0 HA VAL A 13 3.698 -0.767 -8.439 1.00 22.44 H new ATOM 0 HB VAL A 13 6.297 -1.358 -9.833 1.00 44.42 H new ATOM 0 HG11 VAL A 13 5.183 -0.484 -11.896 1.00 13.14 H new ATOM 0 HG12 VAL A 13 4.396 -1.949 -11.264 1.00 13.14 H new ATOM 0 HG13 VAL A 13 3.660 -0.353 -10.985 1.00 13.14 H new ATOM 0 HG21 VAL A 13 6.269 1.082 -10.494 1.00 5.31 H new ATOM 0 HG22 VAL A 13 4.822 1.309 -9.484 1.00 5.31 H new ATOM 0 HG23 VAL A 13 6.371 0.861 -8.731 1.00 5.31 H new ATOM 197 N GLY A 14 4.628 -3.711 -7.878 1.00 32.20 N ATOM 198 CA GLY A 14 4.039 -5.025 -7.656 1.00 33.42 C ATOM 199 C GLY A 14 2.615 -4.988 -7.078 1.00 10.03 C ATOM 200 O GLY A 14 1.982 -3.940 -6.908 1.00 32.23 O ATOM 0 H GLY A 14 5.474 -3.557 -7.329 1.00 32.20 H new ATOM 0 HA2 GLY A 14 4.021 -5.567 -8.601 1.00 33.42 H new ATOM 0 HA3 GLY A 14 4.680 -5.588 -6.978 1.00 33.42 H new ATOM 204 N LYS A 15 2.102 -6.180 -6.778 1.00 5.10 N ATOM 205 CA LYS A 15 0.807 -6.440 -6.154 1.00 21.13 C ATOM 206 C LYS A 15 1.067 -6.792 -4.687 1.00 21.20 C ATOM 207 O LYS A 15 2.084 -7.425 -4.393 1.00 22.54 O ATOM 208 CB LYS A 15 0.174 -7.640 -6.870 1.00 42.32 C ATOM 209 CG LYS A 15 -0.069 -7.479 -8.382 1.00 22.14 C ATOM 210 CD LYS A 15 0.043 -8.843 -9.081 1.00 64.51 C ATOM 211 CE LYS A 15 0.179 -8.708 -10.602 1.00 62.12 C ATOM 212 NZ LYS A 15 0.364 -10.031 -11.235 1.00 63.31 N ATOM 0 H LYS A 15 2.611 -7.042 -6.976 1.00 5.10 H new ATOM 0 HA LYS A 15 0.142 -5.579 -6.220 1.00 21.13 H new ATOM 0 HB2 LYS A 15 0.815 -8.508 -6.717 1.00 42.32 H new ATOM 0 HB3 LYS A 15 -0.780 -7.860 -6.391 1.00 42.32 H new ATOM 0 HG2 LYS A 15 -1.057 -7.052 -8.556 1.00 22.14 H new ATOM 0 HG3 LYS A 15 0.658 -6.784 -8.803 1.00 22.14 H new ATOM 0 HD2 LYS A 15 0.906 -9.381 -8.688 1.00 64.51 H new ATOM 0 HD3 LYS A 15 -0.838 -9.441 -8.849 1.00 64.51 H new ATOM 0 HE2 LYS A 15 -0.710 -8.227 -11.009 1.00 62.12 H new ATOM 0 HE3 LYS A 15 1.027 -8.065 -10.840 1.00 62.12 H new ATOM 0 HZ1 LYS A 15 0.454 -9.914 -12.264 1.00 63.31 H new ATOM 0 HZ2 LYS A 15 1.226 -10.477 -10.861 1.00 63.31 H new ATOM 0 HZ3 LYS A 15 -0.457 -10.634 -11.025 1.00 63.31 H new ATOM 226 N TRP A 16 0.175 -6.410 -3.769 1.00 22.11 N ATOM 227 CA TRP A 16 0.462 -6.424 -2.338 1.00 62.22 C ATOM 228 C TRP A 16 -0.796 -6.689 -1.500 1.00 64.24 C ATOM 229 O TRP A 16 -1.655 -5.815 -1.356 1.00 32.11 O ATOM 230 CB TRP A 16 1.073 -5.066 -1.973 1.00 31.33 C ATOM 231 CG TRP A 16 2.392 -4.760 -2.580 1.00 23.51 C ATOM 232 CD1 TRP A 16 2.620 -4.046 -3.704 1.00 14.02 C ATOM 233 CD2 TRP A 16 3.692 -5.166 -2.082 1.00 41.22 C ATOM 234 NE1 TRP A 16 3.977 -3.968 -3.918 1.00 54.44 N ATOM 235 CE2 TRP A 16 4.687 -4.629 -2.941 1.00 54.44 C ATOM 236 CE3 TRP A 16 4.120 -5.940 -0.985 1.00 74.11 C ATOM 237 CZ2 TRP A 16 6.047 -4.832 -2.700 1.00 63.43 C ATOM 238 CZ3 TRP A 16 5.484 -6.161 -0.735 1.00 71.32 C ATOM 239 CH2 TRP A 16 6.444 -5.592 -1.589 1.00 34.42 C ATOM 0 H TRP A 16 -0.763 -6.084 -3.999 1.00 22.11 H new ATOM 0 HA TRP A 16 1.156 -7.235 -2.118 1.00 62.22 H new ATOM 0 HB2 TRP A 16 0.371 -4.284 -2.265 1.00 31.33 H new ATOM 0 HB3 TRP A 16 1.174 -5.015 -0.889 1.00 31.33 H new ATOM 0 HD1 TRP A 16 1.860 -3.607 -4.333 1.00 14.02 H new ATOM 0 HE1 TRP A 16 4.405 -3.480 -4.705 1.00 54.44 H new ATOM 0 HE3 TRP A 16 3.384 -6.372 -0.323 1.00 74.11 H new ATOM 0 HZ2 TRP A 16 6.787 -4.408 -3.363 1.00 63.43 H new ATOM 0 HZ3 TRP A 16 5.793 -6.763 0.107 1.00 71.32 H new ATOM 0 HH2 TRP A 16 7.495 -5.741 -1.389 1.00 34.42 H new ATOM 250 N ILE A 17 -0.911 -7.871 -0.896 1.00 62.54 N ATOM 251 CA ILE A 17 -2.040 -8.258 -0.067 1.00 41.13 C ATOM 252 C ILE A 17 -1.768 -7.794 1.362 1.00 1.41 C ATOM 253 O ILE A 17 -0.701 -8.051 1.920 1.00 64.24 O ATOM 254 CB ILE A 17 -2.279 -9.782 -0.180 1.00 21.43 C ATOM 255 CG1 ILE A 17 -3.719 -10.163 0.217 1.00 23.24 C ATOM 256 CG2 ILE A 17 -1.333 -10.649 0.649 1.00 25.50 C ATOM 257 CD1 ILE A 17 -4.629 -10.133 -1.000 1.00 34.20 C ATOM 0 H ILE A 17 -0.202 -8.600 -0.975 1.00 62.54 H new ATOM 0 HA ILE A 17 -2.960 -7.781 -0.403 1.00 41.13 H new ATOM 0 HB ILE A 17 -2.086 -9.988 -1.233 1.00 21.43 H new ATOM 0 HG12 ILE A 17 -3.729 -11.158 0.662 1.00 23.24 H new ATOM 0 HG13 ILE A 17 -4.090 -9.471 0.973 1.00 23.24 H new ATOM 0 HG21 ILE A 17 -1.581 -11.700 0.503 1.00 25.50 H new ATOM 0 HG22 ILE A 17 -0.305 -10.471 0.333 1.00 25.50 H new ATOM 0 HG23 ILE A 17 -1.437 -10.395 1.704 1.00 25.50 H new ATOM 0 HD11 ILE A 17 -5.642 -10.404 -0.703 1.00 34.20 H new ATOM 0 HD12 ILE A 17 -4.632 -9.130 -1.427 1.00 34.20 H new ATOM 0 HD13 ILE A 17 -4.266 -10.843 -1.743 1.00 34.20 H new ATOM 269 N VAL A 18 -2.759 -7.170 1.998 1.00 12.31 N ATOM 270 CA VAL A 18 -2.728 -6.726 3.407 1.00 11.34 C ATOM 271 C VAL A 18 -2.729 -7.927 4.374 1.00 44.01 C ATOM 272 O VAL A 18 -2.726 -7.743 5.585 1.00 54.21 O ATOM 273 CB VAL A 18 -3.964 -5.805 3.641 1.00 21.22 C ATOM 274 CG1 VAL A 18 -4.299 -5.403 5.088 1.00 74.55 C ATOM 275 CG2 VAL A 18 -3.793 -4.498 2.869 1.00 23.13 C ATOM 0 H VAL A 18 -3.641 -6.948 1.537 1.00 12.31 H new ATOM 0 HA VAL A 18 -1.809 -6.175 3.606 1.00 11.34 H new ATOM 0 HB VAL A 18 -4.786 -6.434 3.300 1.00 21.22 H new ATOM 0 HG11 VAL A 18 -5.181 -4.763 5.093 1.00 74.55 H new ATOM 0 HG12 VAL A 18 -4.496 -6.298 5.678 1.00 74.55 H new ATOM 0 HG13 VAL A 18 -3.457 -4.862 5.520 1.00 74.55 H new ATOM 0 HG21 VAL A 18 -4.660 -3.860 3.037 1.00 23.13 H new ATOM 0 HG22 VAL A 18 -2.894 -3.987 3.214 1.00 23.13 H new ATOM 0 HG23 VAL A 18 -3.702 -4.713 1.804 1.00 23.13 H new ATOM 285 N LYS A 19 -2.809 -9.160 3.859 1.00 33.14 N ATOM 286 CA LYS A 19 -3.326 -10.321 4.575 1.00 0.03 C ATOM 287 C LYS A 19 -2.250 -10.950 5.470 1.00 71.35 C ATOM 288 O LYS A 19 -1.961 -12.140 5.380 1.00 43.21 O ATOM 289 CB LYS A 19 -3.924 -11.340 3.576 1.00 3.02 C ATOM 290 CG LYS A 19 -4.632 -12.493 4.294 1.00 20.42 C ATOM 291 CD LYS A 19 -6.142 -12.605 3.997 1.00 3.22 C ATOM 292 CE LYS A 19 -6.736 -13.931 4.513 1.00 22.54 C ATOM 293 NZ LYS A 19 -7.101 -14.887 3.443 1.00 73.23 N ATOM 0 H LYS A 19 -2.507 -9.378 2.909 1.00 33.14 H new ATOM 0 HA LYS A 19 -4.128 -9.994 5.238 1.00 0.03 H new ATOM 0 HB2 LYS A 19 -4.630 -10.833 2.919 1.00 3.02 H new ATOM 0 HB3 LYS A 19 -3.130 -11.738 2.944 1.00 3.02 H new ATOM 0 HG2 LYS A 19 -4.150 -13.429 4.013 1.00 20.42 H new ATOM 0 HG3 LYS A 19 -4.494 -12.373 5.369 1.00 20.42 H new ATOM 0 HD2 LYS A 19 -6.666 -11.769 4.460 1.00 3.22 H new ATOM 0 HD3 LYS A 19 -6.307 -12.528 2.922 1.00 3.22 H new ATOM 0 HE2 LYS A 19 -6.015 -14.405 5.178 1.00 22.54 H new ATOM 0 HE3 LYS A 19 -7.623 -13.712 5.108 1.00 22.54 H new ATOM 0 HZ1 LYS A 19 -7.492 -15.752 3.869 1.00 73.23 H new ATOM 0 HZ2 LYS A 19 -7.813 -14.455 2.820 1.00 73.23 H new ATOM 0 HZ3 LYS A 19 -6.255 -15.127 2.888 1.00 73.23 H new ATOM 307 N GLU A 20 -1.619 -10.141 6.297 1.00 62.13 N ATOM 308 CA GLU A 20 -0.326 -10.396 6.897 1.00 32.34 C ATOM 309 C GLU A 20 -0.147 -9.234 7.899 1.00 52.45 C ATOM 310 O GLU A 20 0.274 -8.143 7.499 1.00 24.50 O ATOM 311 CB GLU A 20 0.697 -10.415 5.748 1.00 24.21 C ATOM 312 CG GLU A 20 1.259 -11.773 5.299 1.00 20.33 C ATOM 313 CD GLU A 20 2.268 -12.441 6.232 1.00 1.10 C ATOM 314 OE1 GLU A 20 3.293 -11.861 6.648 1.00 23.40 O ATOM 315 OE2 GLU A 20 2.098 -13.655 6.488 1.00 12.21 O ATOM 0 H GLU A 20 -2.014 -9.245 6.582 1.00 62.13 H new ATOM 0 HA GLU A 20 -0.210 -11.342 7.426 1.00 32.34 H new ATOM 0 HB2 GLU A 20 0.233 -9.944 4.881 1.00 24.21 H new ATOM 0 HB3 GLU A 20 1.538 -9.787 6.041 1.00 24.21 H new ATOM 0 HG2 GLU A 20 0.422 -12.457 5.157 1.00 20.33 H new ATOM 0 HG3 GLU A 20 1.731 -11.641 4.326 1.00 20.33 H new ATOM 322 N PRO A 21 -0.574 -9.385 9.167 1.00 71.15 N ATOM 323 CA PRO A 21 -1.293 -10.547 9.672 1.00 4.02 C ATOM 324 C PRO A 21 -2.739 -10.563 9.166 1.00 4.41 C ATOM 325 O PRO A 21 -3.326 -9.529 8.825 1.00 31.11 O ATOM 326 CB PRO A 21 -1.224 -10.446 11.194 1.00 34.24 C ATOM 327 CG PRO A 21 -1.107 -8.941 11.443 1.00 42.15 C ATOM 328 CD PRO A 21 -0.406 -8.380 10.202 1.00 11.10 C ATOM 0 HA PRO A 21 -0.850 -11.480 9.322 1.00 4.02 H new ATOM 0 HB2 PRO A 21 -2.114 -10.864 11.665 1.00 34.24 H new ATOM 0 HB3 PRO A 21 -0.367 -10.988 11.594 1.00 34.24 H new ATOM 0 HG2 PRO A 21 -2.089 -8.487 11.579 1.00 42.15 H new ATOM 0 HG3 PRO A 21 -0.533 -8.735 12.346 1.00 42.15 H new ATOM 0 HD2 PRO A 21 -0.846 -7.430 9.900 1.00 11.10 H new ATOM 0 HD3 PRO A 21 0.650 -8.194 10.399 1.00 11.10 H new ATOM 336 N VAL A 22 -3.329 -11.751 9.137 1.00 14.33 N ATOM 337 CA VAL A 22 -4.683 -11.975 8.635 1.00 15.40 C ATOM 338 C VAL A 22 -5.696 -11.258 9.525 1.00 54.13 C ATOM 339 O VAL A 22 -5.438 -10.978 10.696 1.00 20.11 O ATOM 340 CB VAL A 22 -4.926 -13.505 8.591 1.00 34.50 C ATOM 341 CG1 VAL A 22 -6.313 -13.868 8.042 1.00 74.41 C ATOM 342 CG2 VAL A 22 -3.893 -14.238 7.717 1.00 41.14 C ATOM 0 H VAL A 22 -2.874 -12.602 9.467 1.00 14.33 H new ATOM 0 HA VAL A 22 -4.802 -11.568 7.631 1.00 15.40 H new ATOM 0 HB VAL A 22 -4.839 -13.823 9.630 1.00 34.50 H new ATOM 0 HG11 VAL A 22 -6.429 -14.952 8.034 1.00 74.41 H new ATOM 0 HG12 VAL A 22 -7.082 -13.426 8.675 1.00 74.41 H new ATOM 0 HG13 VAL A 22 -6.414 -13.484 7.027 1.00 74.41 H new ATOM 0 HG21 VAL A 22 -4.107 -15.307 7.719 1.00 41.14 H new ATOM 0 HG22 VAL A 22 -3.946 -13.860 6.696 1.00 41.14 H new ATOM 0 HG23 VAL A 22 -2.893 -14.068 8.116 1.00 41.14 H new ATOM 352 N LEU A 23 -6.834 -10.900 8.934 1.00 35.54 N ATOM 353 CA LEU A 23 -7.710 -9.915 9.526 1.00 63.24 C ATOM 354 C LEU A 23 -8.746 -10.632 10.359 1.00 12.34 C ATOM 355 O LEU A 23 -8.985 -11.841 10.273 1.00 1.20 O ATOM 356 CB LEU A 23 -8.436 -9.011 8.497 1.00 15.11 C ATOM 357 CG LEU A 23 -7.475 -8.111 7.731 1.00 42.04 C ATOM 358 CD1 LEU A 23 -6.689 -8.951 6.769 1.00 52.22 C ATOM 359 CD2 LEU A 23 -8.184 -6.953 7.021 1.00 23.52 C ATOM 0 H LEU A 23 -7.163 -11.282 8.047 1.00 35.54 H new ATOM 0 HA LEU A 23 -7.081 -9.257 10.125 1.00 63.24 H new ATOM 0 HB2 LEU A 23 -8.984 -9.636 7.792 1.00 15.11 H new ATOM 0 HB3 LEU A 23 -9.171 -8.395 9.015 1.00 15.11 H new ATOM 0 HG LEU A 23 -6.799 -7.642 8.446 1.00 42.04 H new ATOM 0 HD11 LEU A 23 -5.997 -8.318 6.214 1.00 52.22 H new ATOM 0 HD12 LEU A 23 -6.128 -9.706 7.320 1.00 52.22 H new ATOM 0 HD13 LEU A 23 -7.370 -9.441 6.073 1.00 52.22 H new ATOM 0 HD21 LEU A 23 -7.449 -6.346 6.492 1.00 23.52 H new ATOM 0 HD22 LEU A 23 -8.907 -7.351 6.308 1.00 23.52 H new ATOM 0 HD23 LEU A 23 -8.701 -6.337 7.757 1.00 23.52 H new ATOM 371 N GLN A 24 -9.455 -9.775 11.054 1.00 63.24 N ATOM 372 CA GLN A 24 -10.729 -10.054 11.646 1.00 21.10 C ATOM 373 C GLN A 24 -11.837 -9.752 10.647 1.00 74.43 C ATOM 374 O GLN A 24 -11.576 -9.271 9.541 1.00 12.11 O ATOM 375 CB GLN A 24 -10.861 -9.354 12.990 1.00 4.14 C ATOM 376 CG GLN A 24 -11.276 -7.886 12.942 1.00 13.43 C ATOM 377 CD GLN A 24 -11.988 -7.500 14.238 1.00 44.43 C ATOM 378 OE1 GLN A 24 -11.388 -6.927 15.147 1.00 14.34 O ATOM 379 NE2 GLN A 24 -13.258 -7.834 14.391 1.00 11.02 N ATOM 0 H GLN A 24 -9.139 -8.821 11.227 1.00 63.24 H new ATOM 0 HA GLN A 24 -10.822 -11.115 11.877 1.00 21.10 H new ATOM 0 HB2 GLN A 24 -11.590 -9.898 13.590 1.00 4.14 H new ATOM 0 HB3 GLN A 24 -9.905 -9.424 13.509 1.00 4.14 H new ATOM 0 HG2 GLN A 24 -10.398 -7.256 12.799 1.00 13.43 H new ATOM 0 HG3 GLN A 24 -11.935 -7.714 12.091 1.00 13.43 H new ATOM 0 HE21 GLN A 24 -13.755 -8.309 13.637 1.00 11.02 H new ATOM 0 HE22 GLN A 24 -13.741 -7.617 15.263 1.00 11.02 H new ATOM 388 N ASP A 25 -13.085 -10.005 11.053 1.00 35.41 N ATOM 389 CA ASP A 25 -14.319 -9.680 10.316 1.00 63.45 C ATOM 390 C ASP A 25 -14.373 -10.344 8.936 1.00 73.42 C ATOM 391 O ASP A 25 -15.235 -10.023 8.117 1.00 31.51 O ATOM 392 CB ASP A 25 -14.542 -8.157 10.229 1.00 44.43 C ATOM 393 CG ASP A 25 -14.909 -7.473 11.538 1.00 40.22 C ATOM 394 OD1 ASP A 25 -15.254 -8.166 12.512 1.00 35.13 O ATOM 395 OD2 ASP A 25 -14.891 -6.217 11.568 1.00 64.54 O ATOM 0 H ASP A 25 -13.276 -10.463 11.944 1.00 35.41 H new ATOM 0 HA ASP A 25 -15.145 -10.100 10.890 1.00 63.45 H new ATOM 0 HB2 ASP A 25 -13.634 -7.696 9.840 1.00 44.43 H new ATOM 0 HB3 ASP A 25 -15.333 -7.964 9.504 1.00 44.43 H new ATOM 400 N ASP A 26 -13.452 -11.273 8.684 1.00 24.30 N ATOM 401 CA ASP A 26 -13.246 -12.069 7.474 1.00 31.42 C ATOM 402 C ASP A 26 -12.774 -11.257 6.261 1.00 73.14 C ATOM 403 O ASP A 26 -12.516 -11.838 5.201 1.00 35.11 O ATOM 404 CB ASP A 26 -14.450 -13.002 7.220 1.00 12.04 C ATOM 405 CG ASP A 26 -14.471 -14.142 8.240 1.00 13.12 C ATOM 406 OD1 ASP A 26 -13.427 -14.816 8.389 1.00 40.24 O ATOM 407 OD2 ASP A 26 -15.486 -14.328 8.953 1.00 41.05 O ATOM 0 H ASP A 26 -12.761 -11.511 9.395 1.00 24.30 H new ATOM 0 HA ASP A 26 -12.392 -12.723 7.652 1.00 31.42 H new ATOM 0 HB2 ASP A 26 -15.378 -12.433 7.283 1.00 12.04 H new ATOM 0 HB3 ASP A 26 -14.394 -13.410 6.211 1.00 12.04 H new ATOM 412 N PHE A 27 -12.540 -9.949 6.427 1.00 14.20 N ATOM 413 CA PHE A 27 -12.095 -9.019 5.412 1.00 31.53 C ATOM 414 C PHE A 27 -10.761 -9.416 4.811 1.00 1.30 C ATOM 415 O PHE A 27 -9.909 -10.048 5.438 1.00 64.11 O ATOM 416 CB PHE A 27 -11.951 -7.613 6.008 1.00 51.25 C ATOM 417 CG PHE A 27 -13.230 -6.818 5.996 1.00 54.11 C ATOM 418 CD1 PHE A 27 -14.179 -6.985 7.011 1.00 42.11 C ATOM 419 CD2 PHE A 27 -13.489 -5.925 4.949 1.00 32.32 C ATOM 420 CE1 PHE A 27 -15.363 -6.229 7.016 1.00 0.33 C ATOM 421 CE2 PHE A 27 -14.671 -5.172 4.948 1.00 74.42 C ATOM 422 CZ PHE A 27 -15.612 -5.313 5.982 1.00 44.13 C ATOM 0 H PHE A 27 -12.668 -9.497 7.332 1.00 14.20 H new ATOM 0 HA PHE A 27 -12.850 -9.033 4.626 1.00 31.53 H new ATOM 0 HB2 PHE A 27 -11.596 -7.698 7.035 1.00 51.25 H new ATOM 0 HB3 PHE A 27 -11.189 -7.068 5.451 1.00 51.25 H new ATOM 0 HD1 PHE A 27 -13.999 -7.702 7.798 1.00 42.11 H new ATOM 0 HD2 PHE A 27 -12.778 -5.817 4.143 1.00 32.32 H new ATOM 0 HE1 PHE A 27 -16.080 -6.352 7.814 1.00 0.33 H new ATOM 0 HE2 PHE A 27 -14.861 -4.476 4.144 1.00 74.42 H new ATOM 0 HZ PHE A 27 -16.517 -4.723 5.981 1.00 44.13 H new ATOM 432 N VAL A 28 -10.566 -8.888 3.618 1.00 55.34 N ATOM 433 CA VAL A 28 -9.317 -8.835 2.873 1.00 33.52 C ATOM 434 C VAL A 28 -9.207 -7.458 2.206 1.00 42.01 C ATOM 435 O VAL A 28 -10.214 -6.797 1.929 1.00 51.05 O ATOM 436 CB VAL A 28 -9.276 -10.029 1.885 1.00 32.43 C ATOM 437 CG1 VAL A 28 -10.488 -10.100 0.944 1.00 51.05 C ATOM 438 CG2 VAL A 28 -8.002 -10.136 1.035 1.00 12.20 C ATOM 0 H VAL A 28 -11.331 -8.452 3.104 1.00 55.34 H new ATOM 0 HA VAL A 28 -8.444 -8.940 3.517 1.00 33.52 H new ATOM 0 HB VAL A 28 -9.295 -10.876 2.570 1.00 32.43 H new ATOM 0 HG11 VAL A 28 -10.386 -10.961 0.284 1.00 51.05 H new ATOM 0 HG12 VAL A 28 -11.400 -10.200 1.532 1.00 51.05 H new ATOM 0 HG13 VAL A 28 -10.539 -9.189 0.347 1.00 51.05 H new ATOM 0 HG21 VAL A 28 -8.074 -11.003 0.379 1.00 12.20 H new ATOM 0 HG22 VAL A 28 -7.889 -9.234 0.433 1.00 12.20 H new ATOM 0 HG23 VAL A 28 -7.137 -10.247 1.689 1.00 12.20 H new ATOM 448 N THR A 29 -7.970 -7.065 1.912 1.00 5.03 N ATOM 449 CA THR A 29 -7.594 -5.990 1.008 1.00 44.22 C ATOM 450 C THR A 29 -6.382 -6.419 0.181 1.00 33.51 C ATOM 451 O THR A 29 -5.514 -7.180 0.638 1.00 30.10 O ATOM 452 CB THR A 29 -7.307 -4.699 1.795 1.00 4.41 C ATOM 453 OG1 THR A 29 -8.505 -4.205 2.323 1.00 45.43 O ATOM 454 CG2 THR A 29 -6.681 -3.570 0.960 1.00 2.12 C ATOM 0 H THR A 29 -7.156 -7.519 2.326 1.00 5.03 H new ATOM 0 HA THR A 29 -8.421 -5.782 0.329 1.00 44.22 H new ATOM 0 HB THR A 29 -6.586 -4.981 2.563 1.00 4.41 H new ATOM 0 HG1 THR A 29 -9.101 -3.941 1.591 1.00 45.43 H new ATOM 0 HG21 THR A 29 -6.513 -2.699 1.594 1.00 2.12 H new ATOM 0 HG22 THR A 29 -5.730 -3.907 0.547 1.00 2.12 H new ATOM 0 HG23 THR A 29 -7.355 -3.302 0.147 1.00 2.12 H new ATOM 462 N CYS A 30 -6.322 -5.865 -1.028 1.00 31.34 N ATOM 463 CA CYS A 30 -5.362 -6.120 -2.078 1.00 45.12 C ATOM 464 C CYS A 30 -5.008 -4.741 -2.643 1.00 21.52 C ATOM 465 O CYS A 30 -5.923 -4.038 -3.081 1.00 45.14 O ATOM 466 CB CYS A 30 -6.008 -7.007 -3.163 1.00 3.13 C ATOM 467 SG CYS A 30 -7.393 -8.031 -2.569 1.00 31.50 S ATOM 0 H CYS A 30 -7.008 -5.166 -1.314 1.00 31.34 H new ATOM 0 HA CYS A 30 -4.476 -6.642 -1.718 1.00 45.12 H new ATOM 0 HB2 CYS A 30 -6.364 -6.369 -3.972 1.00 3.13 H new ATOM 0 HB3 CYS A 30 -5.244 -7.660 -3.584 1.00 3.13 H new ATOM 0 HG CYS A 30 -7.866 -8.735 -3.554 1.00 31.50 H new ATOM 473 N TYR A 31 -3.741 -4.329 -2.576 1.00 13.04 N ATOM 474 CA TYR A 31 -3.243 -3.074 -3.134 1.00 43.24 C ATOM 475 C TYR A 31 -2.487 -3.384 -4.429 1.00 25.21 C ATOM 476 O TYR A 31 -1.753 -4.379 -4.499 1.00 54.23 O ATOM 477 CB TYR A 31 -2.306 -2.376 -2.132 1.00 33.52 C ATOM 478 CG TYR A 31 -2.985 -1.587 -1.024 1.00 11.14 C ATOM 479 CD1 TYR A 31 -3.276 -2.229 0.188 1.00 41.01 C ATOM 480 CD2 TYR A 31 -3.278 -0.213 -1.161 1.00 10.44 C ATOM 481 CE1 TYR A 31 -3.887 -1.520 1.234 1.00 54.43 C ATOM 482 CE2 TYR A 31 -3.890 0.503 -0.117 1.00 74.21 C ATOM 483 CZ TYR A 31 -4.220 -0.162 1.080 1.00 32.30 C ATOM 484 OH TYR A 31 -4.758 0.496 2.137 1.00 21.54 O ATOM 0 H TYR A 31 -3.013 -4.877 -2.118 1.00 13.04 H new ATOM 0 HA TYR A 31 -4.080 -2.406 -3.340 1.00 43.24 H new ATOM 0 HB2 TYR A 31 -1.668 -3.132 -1.674 1.00 33.52 H new ATOM 0 HB3 TYR A 31 -1.653 -1.700 -2.685 1.00 33.52 H new ATOM 0 HD1 TYR A 31 -3.029 -3.272 0.317 1.00 41.01 H new ATOM 0 HD2 TYR A 31 -3.029 0.295 -2.081 1.00 10.44 H new ATOM 0 HE1 TYR A 31 -4.103 -2.022 2.166 1.00 54.43 H new ATOM 0 HE2 TYR A 31 -4.105 1.555 -0.232 1.00 74.21 H new ATOM 0 HH TYR A 31 -4.937 1.426 1.887 1.00 21.54 H new ATOM 494 N THR A 32 -2.619 -2.541 -5.447 1.00 54.45 N ATOM 495 CA THR A 32 -1.800 -2.580 -6.660 1.00 3.02 C ATOM 496 C THR A 32 -1.371 -1.151 -6.967 1.00 43.21 C ATOM 497 O THR A 32 -2.174 -0.236 -6.777 1.00 72.35 O ATOM 498 CB THR A 32 -2.592 -3.129 -7.862 1.00 13.20 C ATOM 499 OG1 THR A 32 -3.609 -4.053 -7.520 1.00 72.14 O ATOM 500 CG2 THR A 32 -1.659 -3.812 -8.856 1.00 72.35 C ATOM 0 H THR A 32 -3.313 -1.794 -5.455 1.00 54.45 H new ATOM 0 HA THR A 32 -0.946 -3.236 -6.495 1.00 3.02 H new ATOM 0 HB THR A 32 -3.072 -2.253 -8.298 1.00 13.20 H new ATOM 0 HG1 THR A 32 -4.366 -3.948 -8.133 1.00 72.14 H new ATOM 0 HG21 THR A 32 -2.239 -4.192 -9.697 1.00 72.35 H new ATOM 0 HG22 THR A 32 -0.924 -3.093 -9.218 1.00 72.35 H new ATOM 0 HG23 THR A 32 -1.147 -4.639 -8.365 1.00 72.35 H new ATOM 508 N PHE A 33 -0.153 -0.919 -7.450 1.00 44.02 N ATOM 509 CA PHE A 33 0.295 0.412 -7.855 1.00 1.34 C ATOM 510 C PHE A 33 0.702 0.295 -9.322 1.00 2.04 C ATOM 511 O PHE A 33 1.340 -0.686 -9.707 1.00 71.23 O ATOM 512 CB PHE A 33 1.395 0.941 -6.912 1.00 10.03 C ATOM 513 CG PHE A 33 1.124 0.729 -5.430 1.00 21.32 C ATOM 514 CD1 PHE A 33 1.368 -0.521 -4.825 1.00 24.21 C ATOM 515 CD2 PHE A 33 0.638 1.790 -4.645 1.00 61.42 C ATOM 516 CE1 PHE A 33 1.163 -0.701 -3.446 1.00 73.14 C ATOM 517 CE2 PHE A 33 0.415 1.601 -3.269 1.00 12.21 C ATOM 518 CZ PHE A 33 0.693 0.364 -2.665 1.00 41.22 C ATOM 0 H PHE A 33 0.551 -1.647 -7.572 1.00 44.02 H new ATOM 0 HA PHE A 33 -0.490 1.163 -7.771 1.00 1.34 H new ATOM 0 HB2 PHE A 33 2.337 0.455 -7.167 1.00 10.03 H new ATOM 0 HB3 PHE A 33 1.527 2.008 -7.094 1.00 10.03 H new ATOM 0 HD1 PHE A 33 1.716 -1.348 -5.427 1.00 24.21 H new ATOM 0 HD2 PHE A 33 0.436 2.749 -5.098 1.00 61.42 H new ATOM 0 HE1 PHE A 33 1.367 -1.658 -2.989 1.00 73.14 H new ATOM 0 HE2 PHE A 33 0.027 2.413 -2.672 1.00 12.21 H new ATOM 0 HZ PHE A 33 0.545 0.234 -1.603 1.00 41.22 H new ATOM 528 N ASN A 34 0.228 1.212 -10.169 1.00 74.34 N ATOM 529 CA ASN A 34 0.576 1.247 -11.595 1.00 25.31 C ATOM 530 C ASN A 34 2.014 1.744 -11.736 1.00 1.01 C ATOM 531 O ASN A 34 2.650 2.040 -10.736 1.00 10.21 O ATOM 532 CB ASN A 34 -0.432 2.097 -12.388 1.00 42.14 C ATOM 533 CG ASN A 34 -1.716 1.303 -12.600 1.00 1.20 C ATOM 534 OD1 ASN A 34 -1.923 0.747 -13.675 1.00 10.00 O ATOM 535 ND2 ASN A 34 -2.547 1.155 -11.583 1.00 2.02 N ATOM 0 H ASN A 34 -0.411 1.955 -9.886 1.00 74.34 H new ATOM 0 HA ASN A 34 0.519 0.246 -12.021 1.00 25.31 H new ATOM 0 HB2 ASN A 34 -0.648 3.020 -11.849 1.00 42.14 H new ATOM 0 HB3 ASN A 34 -0.006 2.382 -13.350 1.00 42.14 H new ATOM 0 HD21 ASN A 34 -3.377 0.571 -11.684 1.00 2.02 H new ATOM 0 HD22 ASN A 34 -2.358 1.625 -10.698 1.00 2.02 H new ATOM 542 N ALA A 35 2.551 1.871 -12.954 1.00 45.31 N ATOM 543 CA ALA A 35 3.942 2.315 -13.107 1.00 4.42 C ATOM 544 C ALA A 35 4.198 3.739 -12.579 1.00 70.32 C ATOM 545 O ALA A 35 5.355 4.099 -12.353 1.00 42.03 O ATOM 546 CB ALA A 35 4.368 2.197 -14.567 1.00 10.31 C ATOM 0 H ALA A 35 2.060 1.679 -13.827 1.00 45.31 H new ATOM 0 HA ALA A 35 4.550 1.655 -12.489 1.00 4.42 H new ATOM 0 HB1 ALA A 35 5.401 2.528 -14.672 1.00 10.31 H new ATOM 0 HB2 ALA A 35 4.285 1.158 -14.887 1.00 10.31 H new ATOM 0 HB3 ALA A 35 3.722 2.820 -15.186 1.00 10.31 H new ATOM 552 N ASP A 36 3.134 4.533 -12.412 1.00 63.11 N ATOM 553 CA ASP A 36 3.057 5.697 -11.517 1.00 22.40 C ATOM 554 C ASP A 36 1.618 6.212 -11.396 1.00 72.33 C ATOM 555 O ASP A 36 1.279 6.943 -10.469 1.00 22.14 O ATOM 556 CB ASP A 36 3.951 6.864 -11.976 1.00 61.52 C ATOM 557 CG ASP A 36 4.842 7.371 -10.837 1.00 3.30 C ATOM 558 OD1 ASP A 36 4.366 7.636 -9.713 1.00 25.54 O ATOM 559 OD2 ASP A 36 6.062 7.549 -11.064 1.00 21.22 O ATOM 0 H ASP A 36 2.263 4.376 -12.919 1.00 63.11 H new ATOM 0 HA ASP A 36 3.414 5.344 -10.550 1.00 22.40 H new ATOM 0 HB2 ASP A 36 4.574 6.540 -12.810 1.00 61.52 H new ATOM 0 HB3 ASP A 36 3.327 7.680 -12.342 1.00 61.52 H new ATOM 564 N LYS A 37 0.760 5.883 -12.372 1.00 45.22 N ATOM 565 CA LYS A 37 -0.386 6.706 -12.719 1.00 65.11 C ATOM 566 C LYS A 37 -1.497 6.637 -11.683 1.00 14.41 C ATOM 567 O LYS A 37 -2.120 7.652 -11.379 1.00 65.42 O ATOM 568 CB LYS A 37 -0.857 6.267 -14.120 1.00 13.21 C ATOM 569 CG LYS A 37 -1.868 7.206 -14.792 1.00 65.43 C ATOM 570 CD LYS A 37 -1.394 8.663 -14.777 1.00 22.30 C ATOM 571 CE LYS A 37 -1.845 9.502 -15.977 1.00 14.13 C ATOM 572 NZ LYS A 37 -3.270 9.871 -15.936 1.00 41.41 N ATOM 0 H LYS A 37 0.849 5.038 -12.937 1.00 45.22 H new ATOM 0 HA LYS A 37 -0.096 7.757 -12.732 1.00 65.11 H new ATOM 0 HB2 LYS A 37 0.015 6.175 -14.767 1.00 13.21 H new ATOM 0 HB3 LYS A 37 -1.302 5.275 -14.042 1.00 13.21 H new ATOM 0 HG2 LYS A 37 -2.030 6.888 -15.822 1.00 65.43 H new ATOM 0 HG3 LYS A 37 -2.828 7.131 -14.281 1.00 65.43 H new ATOM 0 HD2 LYS A 37 -1.755 9.138 -13.865 1.00 22.30 H new ATOM 0 HD3 LYS A 37 -0.305 8.675 -14.733 1.00 22.30 H new ATOM 0 HE2 LYS A 37 -1.244 10.410 -16.021 1.00 14.13 H new ATOM 0 HE3 LYS A 37 -1.649 8.945 -16.893 1.00 14.13 H new ATOM 0 HZ1 LYS A 37 -3.506 10.437 -16.776 1.00 41.41 H new ATOM 0 HZ2 LYS A 37 -3.852 9.009 -15.924 1.00 41.41 H new ATOM 0 HZ3 LYS A 37 -3.460 10.429 -15.079 1.00 41.41 H new ATOM 586 N THR A 38 -1.783 5.448 -11.176 1.00 61.14 N ATOM 587 CA THR A 38 -2.967 5.164 -10.386 1.00 25.42 C ATOM 588 C THR A 38 -2.646 4.009 -9.440 1.00 51.24 C ATOM 589 O THR A 38 -1.657 3.291 -9.636 1.00 3.10 O ATOM 590 CB THR A 38 -4.145 4.819 -11.328 1.00 5.14 C ATOM 591 OG1 THR A 38 -3.698 3.991 -12.391 1.00 62.34 O ATOM 592 CG2 THR A 38 -4.784 6.073 -11.936 1.00 22.32 C ATOM 0 H THR A 38 -1.182 4.634 -11.307 1.00 61.14 H new ATOM 0 HA THR A 38 -3.260 6.032 -9.795 1.00 25.42 H new ATOM 0 HB THR A 38 -4.889 4.302 -10.722 1.00 5.14 H new ATOM 0 HG1 THR A 38 -4.452 3.778 -12.979 1.00 62.34 H new ATOM 0 HG21 THR A 38 -5.606 5.782 -12.590 1.00 22.32 H new ATOM 0 HG22 THR A 38 -5.164 6.711 -11.138 1.00 22.32 H new ATOM 0 HG23 THR A 38 -4.037 6.619 -12.513 1.00 22.32 H new ATOM 600 N TYR A 39 -3.485 3.785 -8.432 1.00 5.14 N ATOM 601 CA TYR A 39 -3.394 2.613 -7.572 1.00 34.30 C ATOM 602 C TYR A 39 -4.732 1.876 -7.572 1.00 70.51 C ATOM 603 O TYR A 39 -5.651 2.248 -8.303 1.00 51.32 O ATOM 604 CB TYR A 39 -2.826 2.987 -6.187 1.00 74.31 C ATOM 605 CG TYR A 39 -3.776 3.583 -5.167 1.00 71.42 C ATOM 606 CD1 TYR A 39 -4.178 4.922 -5.286 1.00 54.41 C ATOM 607 CD2 TYR A 39 -4.213 2.825 -4.062 1.00 65.33 C ATOM 608 CE1 TYR A 39 -5.035 5.501 -4.331 1.00 21.13 C ATOM 609 CE2 TYR A 39 -5.045 3.406 -3.090 1.00 52.25 C ATOM 610 CZ TYR A 39 -5.482 4.742 -3.229 1.00 23.53 C ATOM 611 OH TYR A 39 -6.324 5.275 -2.303 1.00 52.31 O ATOM 0 H TYR A 39 -4.250 4.415 -8.189 1.00 5.14 H new ATOM 0 HA TYR A 39 -2.671 1.897 -7.962 1.00 34.30 H new ATOM 0 HB2 TYR A 39 -2.389 2.089 -5.751 1.00 74.31 H new ATOM 0 HB3 TYR A 39 -2.012 3.696 -6.340 1.00 74.31 H new ATOM 0 HD1 TYR A 39 -3.827 5.514 -6.118 1.00 54.41 H new ATOM 0 HD2 TYR A 39 -3.907 1.794 -3.962 1.00 65.33 H new ATOM 0 HE1 TYR A 39 -5.351 6.528 -4.442 1.00 21.13 H new ATOM 0 HE2 TYR A 39 -5.352 2.827 -2.231 1.00 52.25 H new ATOM 0 HH TYR A 39 -7.212 5.397 -2.700 1.00 52.31 H new ATOM 621 N GLU A 40 -4.822 0.799 -6.799 1.00 70.32 N ATOM 622 CA GLU A 40 -6.028 0.041 -6.533 1.00 34.14 C ATOM 623 C GLU A 40 -6.037 -0.256 -5.037 1.00 23.33 C ATOM 624 O GLU A 40 -4.987 -0.584 -4.489 1.00 22.24 O ATOM 625 CB GLU A 40 -6.038 -1.278 -7.312 1.00 2.34 C ATOM 626 CG GLU A 40 -6.140 -1.093 -8.833 1.00 62.55 C ATOM 627 CD GLU A 40 -6.203 -2.422 -9.590 1.00 14.32 C ATOM 628 OE1 GLU A 40 -5.203 -3.177 -9.536 1.00 23.42 O ATOM 629 OE2 GLU A 40 -7.204 -2.689 -10.299 1.00 62.41 O ATOM 0 H GLU A 40 -4.009 0.415 -6.318 1.00 70.32 H new ATOM 0 HA GLU A 40 -6.905 0.611 -6.842 1.00 34.14 H new ATOM 0 HB2 GLU A 40 -5.128 -1.833 -7.082 1.00 2.34 H new ATOM 0 HB3 GLU A 40 -6.877 -1.885 -6.971 1.00 2.34 H new ATOM 0 HG2 GLU A 40 -7.029 -0.506 -9.064 1.00 62.55 H new ATOM 0 HG3 GLU A 40 -5.281 -0.521 -9.183 1.00 62.55 H new ATOM 636 N VAL A 41 -7.202 -0.192 -4.399 1.00 2.40 N ATOM 637 CA VAL A 41 -7.446 -0.673 -3.038 1.00 31.11 C ATOM 638 C VAL A 41 -8.931 -1.000 -2.909 1.00 3.23 C ATOM 639 O VAL A 41 -9.751 -0.286 -3.475 1.00 64.25 O ATOM 640 CB VAL A 41 -7.022 0.394 -2.000 1.00 30.53 C ATOM 641 CG1 VAL A 41 -7.809 1.712 -2.038 1.00 34.34 C ATOM 642 CG2 VAL A 41 -7.095 -0.167 -0.574 1.00 31.44 C ATOM 0 H VAL A 41 -8.034 0.211 -4.829 1.00 2.40 H new ATOM 0 HA VAL A 41 -6.854 -1.567 -2.844 1.00 31.11 H new ATOM 0 HB VAL A 41 -5.999 0.635 -2.287 1.00 30.53 H new ATOM 0 HG11 VAL A 41 -7.429 2.385 -1.270 1.00 34.34 H new ATOM 0 HG12 VAL A 41 -7.693 2.177 -3.017 1.00 34.34 H new ATOM 0 HG13 VAL A 41 -8.864 1.511 -1.854 1.00 34.34 H new ATOM 0 HG21 VAL A 41 -6.792 0.603 0.136 1.00 31.44 H new ATOM 0 HG22 VAL A 41 -8.117 -0.478 -0.357 1.00 31.44 H new ATOM 0 HG23 VAL A 41 -6.428 -1.025 -0.486 1.00 31.44 H new ATOM 652 N TYR A 42 -9.326 -2.021 -2.151 1.00 11.44 N ATOM 653 CA TYR A 42 -10.631 -2.052 -1.535 1.00 62.44 C ATOM 654 C TYR A 42 -10.578 -2.918 -0.283 1.00 54.01 C ATOM 655 O TYR A 42 -9.697 -3.768 -0.146 1.00 65.25 O ATOM 656 CB TYR A 42 -11.693 -2.552 -2.517 1.00 44.35 C ATOM 657 CG TYR A 42 -11.792 -4.043 -2.806 1.00 31.43 C ATOM 658 CD1 TYR A 42 -10.664 -4.818 -3.148 1.00 51.45 C ATOM 659 CD2 TYR A 42 -13.060 -4.653 -2.769 1.00 62.51 C ATOM 660 CE1 TYR A 42 -10.796 -6.204 -3.371 1.00 72.42 C ATOM 661 CE2 TYR A 42 -13.212 -6.021 -3.055 1.00 45.41 C ATOM 662 CZ TYR A 42 -12.073 -6.814 -3.312 1.00 24.20 C ATOM 663 OH TYR A 42 -12.237 -8.150 -3.515 1.00 12.14 O ATOM 0 H TYR A 42 -8.749 -2.839 -1.954 1.00 11.44 H new ATOM 0 HA TYR A 42 -10.915 -1.039 -1.249 1.00 62.44 H new ATOM 0 HB2 TYR A 42 -12.664 -2.224 -2.145 1.00 44.35 H new ATOM 0 HB3 TYR A 42 -11.527 -2.044 -3.467 1.00 44.35 H new ATOM 0 HD1 TYR A 42 -9.696 -4.348 -3.239 1.00 51.45 H new ATOM 0 HD2 TYR A 42 -13.928 -4.062 -2.517 1.00 62.51 H new ATOM 0 HE1 TYR A 42 -9.922 -6.801 -3.587 1.00 72.42 H new ATOM 0 HE2 TYR A 42 -14.197 -6.464 -3.078 1.00 45.41 H new ATOM 0 HH TYR A 42 -12.161 -8.623 -2.660 1.00 12.14 H new ATOM 673 N THR A 43 -11.547 -2.743 0.605 1.00 51.45 N ATOM 674 CA THR A 43 -11.948 -3.760 1.564 1.00 11.14 C ATOM 675 C THR A 43 -13.285 -4.324 1.088 1.00 30.33 C ATOM 676 O THR A 43 -14.094 -3.579 0.527 1.00 42.02 O ATOM 677 CB THR A 43 -12.110 -3.181 2.992 1.00 2.40 C ATOM 678 OG1 THR A 43 -12.140 -1.765 3.049 1.00 12.31 O ATOM 679 CG2 THR A 43 -11.049 -3.668 3.970 1.00 60.54 C ATOM 0 H THR A 43 -12.083 -1.878 0.680 1.00 51.45 H new ATOM 0 HA THR A 43 -11.178 -4.529 1.618 1.00 11.14 H new ATOM 0 HB THR A 43 -13.086 -3.563 3.291 1.00 2.40 H new ATOM 0 HG1 THR A 43 -12.246 -1.477 3.980 1.00 12.31 H new ATOM 0 HG21 THR A 43 -11.225 -3.222 4.949 1.00 60.54 H new ATOM 0 HG22 THR A 43 -11.100 -4.754 4.051 1.00 60.54 H new ATOM 0 HG23 THR A 43 -10.062 -3.377 3.611 1.00 60.54 H new ATOM 687 N GLY A 44 -13.580 -5.575 1.433 1.00 1.14 N ATOM 688 CA GLY A 44 -14.958 -6.014 1.552 1.00 10.23 C ATOM 689 C GLY A 44 -15.651 -6.198 0.205 1.00 33.44 C ATOM 690 O GLY A 44 -15.250 -7.071 -0.566 1.00 63.33 O ATOM 0 H GLY A 44 -12.885 -6.294 1.633 1.00 1.14 H new ATOM 0 HA2 GLY A 44 -14.986 -6.956 2.099 1.00 10.23 H new ATOM 0 HA3 GLY A 44 -15.514 -5.286 2.143 1.00 10.23 H new ATOM 694 N SER A 45 -16.689 -5.406 -0.069 1.00 73.35 N ATOM 695 CA SER A 45 -17.570 -5.514 -1.235 1.00 62.12 C ATOM 696 C SER A 45 -18.015 -6.956 -1.534 1.00 54.31 C ATOM 697 O SER A 45 -17.595 -7.520 -2.540 1.00 30.21 O ATOM 698 CB SER A 45 -16.922 -4.846 -2.452 1.00 31.34 C ATOM 699 OG SER A 45 -16.909 -3.446 -2.287 1.00 23.10 O ATOM 0 H SER A 45 -16.951 -4.635 0.545 1.00 73.35 H new ATOM 0 HA SER A 45 -18.489 -4.979 -0.994 1.00 62.12 H new ATOM 0 HB2 SER A 45 -15.904 -5.214 -2.580 1.00 31.34 H new ATOM 0 HB3 SER A 45 -17.472 -5.108 -3.356 1.00 31.34 H new ATOM 0 HG SER A 45 -16.491 -3.028 -3.069 1.00 23.10 H new ATOM 705 N PRO A 46 -18.938 -7.531 -0.739 1.00 22.12 N ATOM 706 CA PRO A 46 -19.495 -8.848 -1.033 1.00 13.33 C ATOM 707 C PRO A 46 -20.322 -8.884 -2.323 1.00 30.11 C ATOM 708 O PRO A 46 -20.629 -9.968 -2.819 1.00 43.34 O ATOM 709 CB PRO A 46 -20.375 -9.192 0.166 1.00 30.30 C ATOM 710 CG PRO A 46 -20.715 -7.845 0.796 1.00 62.24 C ATOM 711 CD PRO A 46 -19.489 -6.992 0.497 1.00 50.03 C ATOM 0 HA PRO A 46 -18.689 -9.565 -1.192 1.00 13.33 H new ATOM 0 HB2 PRO A 46 -21.275 -9.723 -0.143 1.00 30.30 H new ATOM 0 HB3 PRO A 46 -19.850 -9.837 0.870 1.00 30.30 H new ATOM 0 HG2 PRO A 46 -21.618 -7.416 0.362 1.00 62.24 H new ATOM 0 HG3 PRO A 46 -20.889 -7.936 1.868 1.00 62.24 H new ATOM 0 HD2 PRO A 46 -19.759 -5.942 0.382 1.00 50.03 H new ATOM 0 HD3 PRO A 46 -18.763 -7.048 1.308 1.00 50.03 H new ATOM 719 N LEU A 47 -20.744 -7.732 -2.845 1.00 50.34 N ATOM 720 CA LEU A 47 -21.516 -7.639 -4.073 1.00 41.21 C ATOM 721 C LEU A 47 -20.646 -8.034 -5.257 1.00 25.31 C ATOM 722 O LEU A 47 -20.992 -8.973 -5.977 1.00 31.10 O ATOM 723 CB LEU A 47 -22.055 -6.209 -4.236 1.00 4.31 C ATOM 724 CG LEU A 47 -23.387 -5.925 -3.523 1.00 54.44 C ATOM 725 CD1 LEU A 47 -24.553 -6.719 -4.120 1.00 64.53 C ATOM 726 CD2 LEU A 47 -23.306 -6.153 -2.010 1.00 43.31 C ATOM 0 H LEU A 47 -20.553 -6.826 -2.416 1.00 50.34 H new ATOM 0 HA LEU A 47 -22.364 -8.323 -4.029 1.00 41.21 H new ATOM 0 HB2 LEU A 47 -21.306 -5.511 -3.863 1.00 4.31 H new ATOM 0 HB3 LEU A 47 -22.180 -6.004 -5.299 1.00 4.31 H new ATOM 0 HG LEU A 47 -23.584 -4.866 -3.689 1.00 54.44 H new ATOM 0 HD11 LEU A 47 -25.469 -6.481 -3.580 1.00 64.53 H new ATOM 0 HD12 LEU A 47 -24.672 -6.455 -5.171 1.00 64.53 H new ATOM 0 HD13 LEU A 47 -24.348 -7.786 -4.035 1.00 64.53 H new ATOM 0 HD21 LEU A 47 -24.274 -5.938 -1.557 1.00 43.31 H new ATOM 0 HD22 LEU A 47 -23.036 -7.190 -1.812 1.00 43.31 H new ATOM 0 HD23 LEU A 47 -22.551 -5.493 -1.583 1.00 43.31 H new ATOM 738 N SER A 48 -19.539 -7.325 -5.465 1.00 25.14 N ATOM 739 CA SER A 48 -18.652 -7.558 -6.579 1.00 24.12 C ATOM 740 C SER A 48 -17.221 -7.279 -6.161 1.00 25.14 C ATOM 741 O SER A 48 -16.940 -6.359 -5.388 1.00 11.31 O ATOM 742 CB SER A 48 -19.004 -6.624 -7.726 1.00 41.04 C ATOM 743 OG SER A 48 -20.374 -6.644 -8.074 1.00 5.02 O ATOM 0 H SER A 48 -19.238 -6.567 -4.853 1.00 25.14 H new ATOM 0 HA SER A 48 -18.757 -8.596 -6.896 1.00 24.12 H new ATOM 0 HB2 SER A 48 -18.722 -5.607 -7.454 1.00 41.04 H new ATOM 0 HB3 SER A 48 -18.412 -6.896 -8.600 1.00 41.04 H new ATOM 0 HG SER A 48 -20.532 -6.022 -8.815 1.00 5.02 H new ATOM 749 N ASN A 49 -16.294 -8.008 -6.761 1.00 30.21 N ATOM 750 CA ASN A 49 -14.904 -8.088 -6.370 1.00 23.32 C ATOM 751 C ASN A 49 -14.138 -8.041 -7.681 1.00 54.12 C ATOM 752 O ASN A 49 -14.254 -8.965 -8.486 1.00 13.34 O ATOM 753 CB ASN A 49 -14.682 -9.419 -5.652 1.00 32.44 C ATOM 754 CG ASN A 49 -15.513 -9.529 -4.382 1.00 51.21 C ATOM 755 OD1 ASN A 49 -16.650 -9.986 -4.425 1.00 62.55 O ATOM 756 ND2 ASN A 49 -14.972 -9.118 -3.253 1.00 53.32 N ATOM 0 H ASN A 49 -16.506 -8.587 -7.574 1.00 30.21 H new ATOM 0 HA ASN A 49 -14.588 -7.292 -5.696 1.00 23.32 H new ATOM 0 HB2 ASN A 49 -14.936 -10.239 -6.323 1.00 32.44 H new ATOM 0 HB3 ASN A 49 -13.626 -9.525 -5.404 1.00 32.44 H new ATOM 0 HD21 ASN A 49 -15.502 -9.175 -2.383 1.00 53.32 H new ATOM 0 HD22 ASN A 49 -14.024 -8.742 -3.249 1.00 53.32 H new ATOM 763 N GLY A 50 -13.448 -6.937 -7.956 1.00 64.51 N ATOM 764 CA GLY A 50 -12.833 -6.719 -9.256 1.00 70.15 C ATOM 765 C GLY A 50 -12.713 -5.258 -9.653 1.00 73.14 C ATOM 766 O GLY A 50 -11.924 -4.949 -10.548 1.00 44.04 O ATOM 0 H GLY A 50 -13.302 -6.178 -7.290 1.00 64.51 H new ATOM 0 HA2 GLY A 50 -11.839 -7.166 -9.254 1.00 70.15 H new ATOM 0 HA3 GLY A 50 -13.416 -7.243 -10.013 1.00 70.15 H new ATOM 770 N VAL A 51 -13.462 -4.362 -9.012 1.00 2.44 N ATOM 771 CA VAL A 51 -13.464 -2.929 -9.311 1.00 72.11 C ATOM 772 C VAL A 51 -13.069 -2.162 -8.043 1.00 43.42 C ATOM 773 O VAL A 51 -13.920 -1.559 -7.384 1.00 24.40 O ATOM 774 CB VAL A 51 -14.824 -2.481 -9.887 1.00 2.03 C ATOM 775 CG1 VAL A 51 -14.669 -1.115 -10.570 1.00 73.14 C ATOM 776 CG2 VAL A 51 -15.401 -3.480 -10.894 1.00 65.12 C ATOM 0 H VAL A 51 -14.097 -4.616 -8.255 1.00 2.44 H new ATOM 0 HA VAL A 51 -12.731 -2.707 -10.086 1.00 72.11 H new ATOM 0 HB VAL A 51 -15.519 -2.420 -9.050 1.00 2.03 H new ATOM 0 HG11 VAL A 51 -15.630 -0.800 -10.976 1.00 73.14 H new ATOM 0 HG12 VAL A 51 -14.325 -0.381 -9.841 1.00 73.14 H new ATOM 0 HG13 VAL A 51 -13.942 -1.193 -11.378 1.00 73.14 H new ATOM 0 HG21 VAL A 51 -16.357 -3.112 -11.265 1.00 65.12 H new ATOM 0 HG22 VAL A 51 -14.709 -3.597 -11.728 1.00 65.12 H new ATOM 0 HG23 VAL A 51 -15.548 -4.444 -10.407 1.00 65.12 H new ATOM 786 N PRO A 52 -11.795 -2.204 -7.639 1.00 11.24 N ATOM 787 CA PRO A 52 -11.352 -1.546 -6.420 1.00 34.44 C ATOM 788 C PRO A 52 -11.404 -0.016 -6.604 1.00 43.04 C ATOM 789 O PRO A 52 -11.621 0.474 -7.715 1.00 65.24 O ATOM 790 CB PRO A 52 -9.960 -2.142 -6.179 1.00 14.43 C ATOM 791 CG PRO A 52 -9.438 -2.396 -7.591 1.00 31.54 C ATOM 792 CD PRO A 52 -10.687 -2.810 -8.352 1.00 53.02 C ATOM 0 HA PRO A 52 -11.977 -1.712 -5.542 1.00 34.44 H new ATOM 0 HB2 PRO A 52 -9.317 -1.454 -5.630 1.00 14.43 H new ATOM 0 HB3 PRO A 52 -10.012 -3.062 -5.597 1.00 14.43 H new ATOM 0 HG2 PRO A 52 -8.983 -1.503 -8.019 1.00 31.54 H new ATOM 0 HG3 PRO A 52 -8.679 -3.179 -7.605 1.00 31.54 H new ATOM 0 HD2 PRO A 52 -10.649 -2.465 -9.385 1.00 53.02 H new ATOM 0 HD3 PRO A 52 -10.786 -3.895 -8.382 1.00 53.02 H new ATOM 800 N PHE A 53 -11.219 0.751 -5.528 1.00 14.03 N ATOM 801 CA PHE A 53 -10.996 2.191 -5.588 1.00 1.04 C ATOM 802 C PHE A 53 -9.784 2.417 -6.474 1.00 64.12 C ATOM 803 O PHE A 53 -8.757 1.776 -6.234 1.00 61.42 O ATOM 804 CB PHE A 53 -10.700 2.757 -4.185 1.00 44.12 C ATOM 805 CG PHE A 53 -10.568 4.274 -4.143 1.00 25.13 C ATOM 806 CD1 PHE A 53 -11.726 5.062 -4.072 1.00 61.53 C ATOM 807 CD2 PHE A 53 -9.311 4.915 -4.165 1.00 12.12 C ATOM 808 CE1 PHE A 53 -11.634 6.461 -4.070 1.00 74.43 C ATOM 809 CE2 PHE A 53 -9.218 6.320 -4.147 1.00 45.25 C ATOM 810 CZ PHE A 53 -10.385 7.101 -4.104 1.00 13.21 C ATOM 0 H PHE A 53 -11.220 0.381 -4.578 1.00 14.03 H new ATOM 0 HA PHE A 53 -11.883 2.690 -5.978 1.00 1.04 H new ATOM 0 HB2 PHE A 53 -11.497 2.453 -3.507 1.00 44.12 H new ATOM 0 HB3 PHE A 53 -9.777 2.312 -3.812 1.00 44.12 H new ATOM 0 HD1 PHE A 53 -12.695 4.588 -4.019 1.00 61.53 H new ATOM 0 HD2 PHE A 53 -8.410 4.321 -4.196 1.00 12.12 H new ATOM 0 HE1 PHE A 53 -12.536 7.054 -4.042 1.00 74.43 H new ATOM 0 HE2 PHE A 53 -8.249 6.797 -4.166 1.00 45.25 H new ATOM 0 HZ PHE A 53 -10.322 8.179 -4.097 1.00 13.21 H new ATOM 820 N ARG A 54 -9.872 3.317 -7.458 1.00 32.54 N ATOM 821 CA ARG A 54 -8.743 3.729 -8.280 1.00 5.31 C ATOM 822 C ARG A 54 -8.566 5.232 -8.176 1.00 22.44 C ATOM 823 O ARG A 54 -9.343 5.991 -8.762 1.00 41.35 O ATOM 824 CB ARG A 54 -8.895 3.233 -9.714 1.00 70.42 C ATOM 825 CG ARG A 54 -8.931 1.703 -9.722 1.00 22.13 C ATOM 826 CD ARG A 54 -8.704 1.180 -11.128 1.00 51.12 C ATOM 827 NE ARG A 54 -8.756 -0.291 -11.166 1.00 10.02 N ATOM 828 CZ ARG A 54 -9.721 -1.034 -11.708 1.00 52.42 C ATOM 829 NH1 ARG A 54 -10.868 -0.490 -12.101 1.00 10.04 N ATOM 830 NH2 ARG A 54 -9.505 -2.335 -11.842 1.00 11.23 N ATOM 0 H ARG A 54 -10.745 3.783 -7.705 1.00 32.54 H new ATOM 0 HA ARG A 54 -7.828 3.267 -7.909 1.00 5.31 H new ATOM 0 HB2 ARG A 54 -9.810 3.631 -10.153 1.00 70.42 H new ATOM 0 HB3 ARG A 54 -8.066 3.591 -10.324 1.00 70.42 H new ATOM 0 HG2 ARG A 54 -8.166 1.311 -9.052 1.00 22.13 H new ATOM 0 HG3 ARG A 54 -9.893 1.353 -9.347 1.00 22.13 H new ATOM 0 HD2 ARG A 54 -9.460 1.590 -11.797 1.00 51.12 H new ATOM 0 HD3 ARG A 54 -7.736 1.521 -11.493 1.00 51.12 H new ATOM 0 HE ARG A 54 -7.978 -0.790 -10.736 1.00 10.02 H new ATOM 0 HH11 ARG A 54 -11.022 0.512 -11.990 1.00 10.04 H new ATOM 0 HH12 ARG A 54 -11.595 -1.075 -12.514 1.00 10.04 H new ATOM 0 HH21 ARG A 54 -8.621 -2.740 -11.534 1.00 11.23 H new ATOM 0 HH22 ARG A 54 -10.223 -2.932 -12.253 1.00 11.23 H new ATOM 844 N GLY A 55 -7.566 5.644 -7.409 1.00 53.01 N ATOM 845 CA GLY A 55 -7.092 7.004 -7.241 1.00 61.15 C ATOM 846 C GLY A 55 -5.618 7.048 -7.624 1.00 42.15 C ATOM 847 O GLY A 55 -5.159 6.254 -8.447 1.00 65.13 O ATOM 0 H GLY A 55 -7.027 4.984 -6.848 1.00 53.01 H new ATOM 0 HA2 GLY A 55 -7.667 7.687 -7.867 1.00 61.15 H new ATOM 0 HA3 GLY A 55 -7.226 7.328 -6.209 1.00 61.15 H new ATOM 851 N THR A 56 -4.881 7.970 -7.024 1.00 10.42 N ATOM 852 CA THR A 56 -3.494 8.325 -7.315 1.00 31.54 C ATOM 853 C THR A 56 -2.627 7.989 -6.088 1.00 31.40 C ATOM 854 O THR A 56 -3.158 7.819 -4.995 1.00 22.22 O ATOM 855 CB THR A 56 -3.455 9.823 -7.719 1.00 42.24 C ATOM 856 OG1 THR A 56 -4.608 10.559 -7.313 1.00 25.24 O ATOM 857 CG2 THR A 56 -3.427 9.965 -9.239 1.00 10.32 C ATOM 0 H THR A 56 -5.262 8.533 -6.264 1.00 10.42 H new ATOM 0 HA THR A 56 -3.085 7.754 -8.149 1.00 31.54 H new ATOM 0 HB THR A 56 -2.564 10.213 -7.226 1.00 42.24 H new ATOM 0 HG1 THR A 56 -4.517 11.492 -7.597 1.00 25.24 H new ATOM 0 HG21 THR A 56 -3.400 11.022 -9.505 1.00 10.32 H new ATOM 0 HG22 THR A 56 -2.541 9.468 -9.635 1.00 10.32 H new ATOM 0 HG23 THR A 56 -4.320 9.507 -9.664 1.00 10.32 H new ATOM 865 N TYR A 57 -1.307 7.882 -6.218 1.00 70.51 N ATOM 866 CA TYR A 57 -0.389 7.691 -5.093 1.00 54.23 C ATOM 867 C TYR A 57 0.892 8.467 -5.391 1.00 61.11 C ATOM 868 O TYR A 57 1.227 8.673 -6.563 1.00 43.41 O ATOM 869 CB TYR A 57 -0.103 6.196 -4.876 1.00 42.35 C ATOM 870 CG TYR A 57 0.779 5.574 -5.935 1.00 44.13 C ATOM 871 CD1 TYR A 57 0.264 5.114 -7.162 1.00 4.20 C ATOM 872 CD2 TYR A 57 2.160 5.509 -5.686 1.00 31.50 C ATOM 873 CE1 TYR A 57 1.131 4.543 -8.112 1.00 33.42 C ATOM 874 CE2 TYR A 57 3.023 4.938 -6.623 1.00 4.12 C ATOM 875 CZ TYR A 57 2.513 4.447 -7.834 1.00 51.34 C ATOM 876 OH TYR A 57 3.365 3.880 -8.716 1.00 23.30 O ATOM 0 H TYR A 57 -0.836 7.926 -7.121 1.00 70.51 H new ATOM 0 HA TYR A 57 -0.835 8.065 -4.172 1.00 54.23 H new ATOM 0 HB2 TYR A 57 0.370 6.066 -3.903 1.00 42.35 H new ATOM 0 HB3 TYR A 57 -1.050 5.657 -4.845 1.00 42.35 H new ATOM 0 HD1 TYR A 57 -0.792 5.199 -7.373 1.00 4.20 H new ATOM 0 HD2 TYR A 57 2.557 5.904 -4.763 1.00 31.50 H new ATOM 0 HE1 TYR A 57 0.741 4.179 -9.051 1.00 33.42 H new ATOM 0 HE2 TYR A 57 4.081 4.874 -6.416 1.00 4.12 H new ATOM 0 HH TYR A 57 2.869 3.279 -9.310 1.00 23.30 H new ATOM 886 N ILE A 58 1.598 8.910 -4.351 1.00 43.31 N ATOM 887 CA ILE A 58 2.757 9.789 -4.496 1.00 24.21 C ATOM 888 C ILE A 58 3.851 9.345 -3.526 1.00 22.24 C ATOM 889 O ILE A 58 3.590 9.195 -2.328 1.00 61.53 O ATOM 890 CB ILE A 58 2.379 11.281 -4.331 1.00 52.41 C ATOM 891 CG1 ILE A 58 1.091 11.660 -5.105 1.00 22.54 C ATOM 892 CG2 ILE A 58 3.550 12.126 -4.855 1.00 24.40 C ATOM 893 CD1 ILE A 58 0.836 13.164 -5.223 1.00 53.41 C ATOM 0 H ILE A 58 1.382 8.669 -3.384 1.00 43.31 H new ATOM 0 HA ILE A 58 3.145 9.702 -5.511 1.00 24.21 H new ATOM 0 HB ILE A 58 2.184 11.470 -3.275 1.00 52.41 H new ATOM 0 HG12 ILE A 58 1.147 11.235 -6.107 1.00 22.54 H new ATOM 0 HG13 ILE A 58 0.237 11.198 -4.610 1.00 22.54 H new ATOM 0 HG21 ILE A 58 3.310 13.184 -4.751 1.00 24.40 H new ATOM 0 HG22 ILE A 58 4.448 11.899 -4.281 1.00 24.40 H new ATOM 0 HG23 ILE A 58 3.724 11.895 -5.906 1.00 24.40 H new ATOM 0 HD11 ILE A 58 -0.086 13.334 -5.779 1.00 53.41 H new ATOM 0 HD12 ILE A 58 0.744 13.597 -4.227 1.00 53.41 H new ATOM 0 HD13 ILE A 58 1.668 13.634 -5.747 1.00 53.41 H new ATOM 905 N ILE A 59 5.079 9.169 -4.030 1.00 74.24 N ATOM 906 CA ILE A 59 6.258 8.702 -3.279 1.00 51.01 C ATOM 907 C ILE A 59 7.058 9.861 -2.660 1.00 31.42 C ATOM 908 O ILE A 59 8.198 9.712 -2.212 1.00 41.30 O ATOM 909 CB ILE A 59 7.089 7.704 -4.143 1.00 12.32 C ATOM 910 CG1 ILE A 59 6.197 6.630 -4.811 1.00 50.12 C ATOM 911 CG2 ILE A 59 8.189 6.964 -3.351 1.00 22.54 C ATOM 912 CD1 ILE A 59 5.334 5.850 -3.813 1.00 3.00 C ATOM 0 H ILE A 59 5.290 9.355 -5.011 1.00 74.24 H new ATOM 0 HA ILE A 59 5.925 8.136 -2.409 1.00 51.01 H new ATOM 0 HB ILE A 59 7.559 8.336 -4.896 1.00 12.32 H new ATOM 0 HG12 ILE A 59 5.548 7.111 -5.543 1.00 50.12 H new ATOM 0 HG13 ILE A 59 6.830 5.931 -5.357 1.00 50.12 H new ATOM 0 HG21 ILE A 59 8.725 6.288 -4.017 1.00 22.54 H new ATOM 0 HG22 ILE A 59 8.887 7.689 -2.933 1.00 22.54 H new ATOM 0 HG23 ILE A 59 7.733 6.392 -2.543 1.00 22.54 H new ATOM 0 HD11 ILE A 59 4.734 5.114 -4.348 1.00 3.00 H new ATOM 0 HD12 ILE A 59 5.978 5.341 -3.096 1.00 3.00 H new ATOM 0 HD13 ILE A 59 4.676 6.540 -3.284 1.00 3.00 H new ATOM 924 N SER A 60 6.425 11.023 -2.551 1.00 13.30 N ATOM 925 CA SER A 60 6.866 12.095 -1.692 1.00 23.52 C ATOM 926 C SER A 60 5.768 13.131 -1.494 1.00 34.33 C ATOM 927 O SER A 60 5.039 13.456 -2.432 1.00 1.32 O ATOM 928 CB SER A 60 8.113 12.746 -2.290 1.00 71.50 C ATOM 929 OG SER A 60 8.147 12.729 -3.713 1.00 32.32 O ATOM 0 H SER A 60 5.575 11.242 -3.071 1.00 13.30 H new ATOM 0 HA SER A 60 7.107 11.680 -0.713 1.00 23.52 H new ATOM 0 HB2 SER A 60 8.171 13.779 -1.947 1.00 71.50 H new ATOM 0 HB3 SER A 60 8.996 12.234 -1.909 1.00 71.50 H new ATOM 0 HG SER A 60 8.969 13.162 -4.026 1.00 32.32 H new ATOM 935 N LEU A 61 5.713 13.676 -0.280 1.00 75.22 N ATOM 936 CA LEU A 61 5.080 14.938 0.059 1.00 73.42 C ATOM 937 C LEU A 61 6.197 15.906 0.394 1.00 61.25 C ATOM 938 O LEU A 61 6.362 16.911 -0.287 1.00 55.13 O ATOM 939 CB LEU A 61 4.157 14.754 1.273 1.00 35.12 C ATOM 940 CG LEU A 61 2.674 14.671 0.921 1.00 32.20 C ATOM 941 CD1 LEU A 61 2.099 16.043 0.562 1.00 63.32 C ATOM 942 CD2 LEU A 61 2.383 13.653 -0.182 1.00 41.34 C ATOM 0 H LEU A 61 6.132 13.222 0.531 1.00 75.22 H new ATOM 0 HA LEU A 61 4.473 15.310 -0.766 1.00 73.42 H new ATOM 0 HB2 LEU A 61 4.446 13.845 1.801 1.00 35.12 H new ATOM 0 HB3 LEU A 61 4.310 15.585 1.962 1.00 35.12 H new ATOM 0 HG LEU A 61 2.171 14.317 1.821 1.00 32.20 H new ATOM 0 HD11 LEU A 61 1.042 15.942 0.318 1.00 63.32 H new ATOM 0 HD12 LEU A 61 2.212 16.718 1.410 1.00 63.32 H new ATOM 0 HD13 LEU A 61 2.633 16.448 -0.298 1.00 63.32 H new ATOM 0 HD21 LEU A 61 1.313 13.638 -0.390 1.00 41.34 H new ATOM 0 HD22 LEU A 61 2.924 13.931 -1.086 1.00 41.34 H new ATOM 0 HD23 LEU A 61 2.704 12.663 0.143 1.00 41.34 H new ATOM 954 N ASP A 62 6.969 15.560 1.427 1.00 72.52 N ATOM 955 CA ASP A 62 8.050 16.363 1.974 1.00 74.44 C ATOM 956 C ASP A 62 9.309 15.511 1.910 1.00 43.10 C ATOM 957 O ASP A 62 10.160 15.775 1.063 1.00 54.40 O ATOM 958 CB ASP A 62 7.709 16.836 3.399 1.00 61.55 C ATOM 959 CG ASP A 62 7.294 18.299 3.452 1.00 64.42 C ATOM 960 OD1 ASP A 62 8.145 19.184 3.200 1.00 35.35 O ATOM 961 OD2 ASP A 62 6.129 18.594 3.782 1.00 51.25 O ATOM 0 H ASP A 62 6.848 14.676 1.921 1.00 72.52 H new ATOM 0 HA ASP A 62 8.206 17.276 1.399 1.00 74.44 H new ATOM 0 HB2 ASP A 62 6.903 16.220 3.798 1.00 61.55 H new ATOM 0 HB3 ASP A 62 8.575 16.685 4.044 1.00 61.55 H new ATOM 966 N GLU A 63 9.426 14.452 2.723 1.00 42.42 N ATOM 967 CA GLU A 63 10.687 13.730 2.918 1.00 62.13 C ATOM 968 C GLU A 63 10.467 12.218 2.825 1.00 44.33 C ATOM 969 O GLU A 63 10.050 11.600 3.804 1.00 33.44 O ATOM 970 CB GLU A 63 11.337 14.126 4.263 1.00 41.03 C ATOM 971 CG GLU A 63 11.569 15.642 4.313 1.00 74.54 C ATOM 972 CD GLU A 63 12.286 16.188 5.544 1.00 15.25 C ATOM 973 OE1 GLU A 63 13.106 15.478 6.172 1.00 41.42 O ATOM 974 OE2 GLU A 63 12.043 17.375 5.874 1.00 32.41 O ATOM 0 H GLU A 63 8.648 14.073 3.263 1.00 42.42 H new ATOM 0 HA GLU A 63 11.375 14.012 2.120 1.00 62.13 H new ATOM 0 HB2 GLU A 63 10.695 13.822 5.089 1.00 41.03 H new ATOM 0 HB3 GLU A 63 12.285 13.601 4.386 1.00 41.03 H new ATOM 0 HG2 GLU A 63 12.143 15.927 3.431 1.00 74.54 H new ATOM 0 HG3 GLU A 63 10.601 16.137 4.237 1.00 74.54 H new ATOM 981 N LYS A 64 10.782 11.618 1.667 1.00 41.30 N ATOM 982 CA LYS A 64 10.928 10.170 1.426 1.00 44.40 C ATOM 983 C LYS A 64 9.795 9.360 2.065 1.00 72.33 C ATOM 984 O LYS A 64 10.018 8.518 2.937 1.00 75.31 O ATOM 985 CB LYS A 64 12.346 9.680 1.782 1.00 35.24 C ATOM 986 CG LYS A 64 12.833 10.110 3.179 1.00 54.03 C ATOM 987 CD LYS A 64 14.168 9.476 3.557 1.00 4.03 C ATOM 988 CE LYS A 64 13.980 8.072 4.150 1.00 32.31 C ATOM 989 NZ LYS A 64 15.192 7.619 4.863 1.00 44.22 N ATOM 0 H LYS A 64 10.952 12.162 0.821 1.00 41.30 H new ATOM 0 HA LYS A 64 10.821 9.992 0.356 1.00 44.40 H new ATOM 0 HB2 LYS A 64 12.368 8.592 1.721 1.00 35.24 H new ATOM 0 HB3 LYS A 64 13.046 10.055 1.035 1.00 35.24 H new ATOM 0 HG2 LYS A 64 12.930 11.195 3.208 1.00 54.03 H new ATOM 0 HG3 LYS A 64 12.083 9.837 3.921 1.00 54.03 H new ATOM 0 HD2 LYS A 64 14.806 9.417 2.675 1.00 4.03 H new ATOM 0 HD3 LYS A 64 14.681 10.111 4.279 1.00 4.03 H new ATOM 0 HE2 LYS A 64 13.133 8.076 4.836 1.00 32.31 H new ATOM 0 HE3 LYS A 64 13.741 7.368 3.353 1.00 32.31 H new ATOM 0 HZ1 LYS A 64 15.031 6.668 5.251 1.00 44.22 H new ATOM 0 HZ2 LYS A 64 15.994 7.592 4.202 1.00 44.22 H new ATOM 0 HZ3 LYS A 64 15.405 8.278 5.639 1.00 44.22 H new ATOM 1003 N LEU A 65 8.562 9.635 1.642 1.00 31.45 N ATOM 1004 CA LEU A 65 7.332 9.230 2.321 1.00 71.24 C ATOM 1005 C LEU A 65 6.331 8.782 1.265 1.00 63.23 C ATOM 1006 O LEU A 65 6.460 9.212 0.121 1.00 21.30 O ATOM 1007 CB LEU A 65 6.847 10.461 3.104 1.00 63.45 C ATOM 1008 CG LEU A 65 5.729 10.160 4.112 1.00 22.11 C ATOM 1009 CD1 LEU A 65 5.978 10.950 5.398 1.00 55.41 C ATOM 1010 CD2 LEU A 65 4.353 10.546 3.576 1.00 40.03 C ATOM 0 H LEU A 65 8.386 10.164 0.788 1.00 31.45 H new ATOM 0 HA LEU A 65 7.472 8.397 3.010 1.00 71.24 H new ATOM 0 HB2 LEU A 65 7.693 10.897 3.635 1.00 63.45 H new ATOM 0 HB3 LEU A 65 6.493 11.212 2.398 1.00 63.45 H new ATOM 0 HG LEU A 65 5.741 9.086 4.298 1.00 22.11 H new ATOM 0 HD11 LEU A 65 5.185 10.737 6.115 1.00 55.41 H new ATOM 0 HD12 LEU A 65 6.939 10.660 5.823 1.00 55.41 H new ATOM 0 HD13 LEU A 65 5.988 12.017 5.174 1.00 55.41 H new ATOM 0 HD21 LEU A 65 3.594 10.315 4.323 1.00 40.03 H new ATOM 0 HD22 LEU A 65 4.334 11.614 3.357 1.00 40.03 H new ATOM 0 HD23 LEU A 65 4.147 9.985 2.664 1.00 40.03 H new ATOM 1022 N ILE A 66 5.308 7.994 1.602 1.00 41.35 N ATOM 1023 CA ILE A 66 4.279 7.579 0.644 1.00 75.44 C ATOM 1024 C ILE A 66 2.894 7.963 1.162 1.00 64.24 C ATOM 1025 O ILE A 66 2.580 7.743 2.335 1.00 40.02 O ATOM 1026 CB ILE A 66 4.440 6.088 0.289 1.00 33.44 C ATOM 1027 CG1 ILE A 66 3.445 5.638 -0.802 1.00 53.12 C ATOM 1028 CG2 ILE A 66 4.453 5.181 1.528 1.00 15.11 C ATOM 1029 CD1 ILE A 66 2.196 4.875 -0.346 1.00 72.53 C ATOM 0 H ILE A 66 5.169 7.626 2.543 1.00 41.35 H new ATOM 0 HA ILE A 66 4.403 8.114 -0.298 1.00 75.44 H new ATOM 0 HB ILE A 66 5.430 5.974 -0.153 1.00 33.44 H new ATOM 0 HG12 ILE A 66 3.118 6.524 -1.346 1.00 53.12 H new ATOM 0 HG13 ILE A 66 3.984 5.009 -1.511 1.00 53.12 H new ATOM 0 HG21 ILE A 66 4.569 4.143 1.218 1.00 15.11 H new ATOM 0 HG22 ILE A 66 5.284 5.461 2.175 1.00 15.11 H new ATOM 0 HG23 ILE A 66 3.515 5.295 2.072 1.00 15.11 H new ATOM 0 HD11 ILE A 66 1.587 4.622 -1.214 1.00 72.53 H new ATOM 0 HD12 ILE A 66 2.495 3.961 0.167 1.00 72.53 H new ATOM 0 HD13 ILE A 66 1.616 5.499 0.334 1.00 72.53 H new ATOM 1041 N LYS A 67 2.066 8.530 0.279 1.00 23.22 N ATOM 1042 CA LYS A 67 0.676 8.871 0.542 1.00 55.44 C ATOM 1043 C LYS A 67 -0.174 8.390 -0.628 1.00 3.02 C ATOM 1044 O LYS A 67 0.269 8.434 -1.779 1.00 51.24 O ATOM 1045 CB LYS A 67 0.499 10.387 0.779 1.00 12.11 C ATOM 1046 CG LYS A 67 1.235 10.888 2.035 1.00 73.15 C ATOM 1047 CD LYS A 67 0.580 12.084 2.743 1.00 20.12 C ATOM 1048 CE LYS A 67 1.453 12.466 3.953 1.00 61.54 C ATOM 1049 NZ LYS A 67 0.778 13.351 4.923 1.00 74.54 N ATOM 0 H LYS A 67 2.360 8.770 -0.668 1.00 23.22 H new ATOM 0 HA LYS A 67 0.351 8.375 1.456 1.00 55.44 H new ATOM 0 HB2 LYS A 67 0.866 10.931 -0.092 1.00 12.11 H new ATOM 0 HB3 LYS A 67 -0.563 10.613 0.872 1.00 12.11 H new ATOM 0 HG2 LYS A 67 1.312 10.064 2.744 1.00 73.15 H new ATOM 0 HG3 LYS A 67 2.252 11.164 1.755 1.00 73.15 H new ATOM 0 HD2 LYS A 67 0.489 12.927 2.059 1.00 20.12 H new ATOM 0 HD3 LYS A 67 -0.428 11.827 3.068 1.00 20.12 H new ATOM 0 HE2 LYS A 67 1.767 11.556 4.464 1.00 61.54 H new ATOM 0 HE3 LYS A 67 2.357 12.958 3.595 1.00 61.54 H new ATOM 0 HZ1 LYS A 67 0.942 12.998 5.887 1.00 74.54 H new ATOM 0 HZ2 LYS A 67 1.159 14.315 4.837 1.00 74.54 H new ATOM 0 HZ3 LYS A 67 -0.244 13.364 4.728 1.00 74.54 H new ATOM 1063 N LEU A 68 -1.387 7.935 -0.334 1.00 73.11 N ATOM 1064 CA LEU A 68 -2.411 7.617 -1.325 1.00 74.15 C ATOM 1065 C LEU A 68 -3.279 8.859 -1.489 1.00 11.42 C ATOM 1066 O LEU A 68 -3.450 9.604 -0.524 1.00 33.53 O ATOM 1067 CB LEU A 68 -3.308 6.468 -0.829 1.00 51.01 C ATOM 1068 CG LEU A 68 -2.728 5.042 -0.771 1.00 41.34 C ATOM 1069 CD1 LEU A 68 -1.955 4.665 -2.039 1.00 3.42 C ATOM 1070 CD2 LEU A 68 -1.830 4.794 0.448 1.00 11.04 C ATOM 0 H LEU A 68 -1.694 7.773 0.625 1.00 73.11 H new ATOM 0 HA LEU A 68 -1.939 7.317 -2.261 1.00 74.15 H new ATOM 0 HB2 LEU A 68 -3.649 6.726 0.174 1.00 51.01 H new ATOM 0 HB3 LEU A 68 -4.190 6.439 -1.469 1.00 51.01 H new ATOM 0 HG LEU A 68 -3.607 4.404 -0.684 1.00 41.34 H new ATOM 0 HD11 LEU A 68 -1.569 3.650 -1.942 1.00 3.42 H new ATOM 0 HD12 LEU A 68 -2.621 4.719 -2.901 1.00 3.42 H new ATOM 0 HD13 LEU A 68 -1.124 5.357 -2.178 1.00 3.42 H new ATOM 0 HD21 LEU A 68 -1.457 3.770 0.423 1.00 11.04 H new ATOM 0 HD22 LEU A 68 -0.989 5.487 0.427 1.00 11.04 H new ATOM 0 HD23 LEU A 68 -2.405 4.949 1.361 1.00 11.04 H new ATOM 1082 N TYR A 69 -3.854 9.073 -2.670 1.00 54.11 N ATOM 1083 CA TYR A 69 -4.615 10.256 -3.055 1.00 53.44 C ATOM 1084 C TYR A 69 -5.943 9.833 -3.701 1.00 50.23 C ATOM 1085 O TYR A 69 -5.972 8.912 -4.522 1.00 42.31 O ATOM 1086 CB TYR A 69 -3.810 11.104 -4.060 1.00 10.10 C ATOM 1087 CG TYR A 69 -2.816 12.117 -3.517 1.00 12.01 C ATOM 1088 CD1 TYR A 69 -1.824 11.760 -2.586 1.00 30.51 C ATOM 1089 CD2 TYR A 69 -2.834 13.431 -4.021 1.00 32.33 C ATOM 1090 CE1 TYR A 69 -0.912 12.716 -2.114 1.00 54.13 C ATOM 1091 CE2 TYR A 69 -1.920 14.390 -3.560 1.00 71.55 C ATOM 1092 CZ TYR A 69 -0.964 14.045 -2.587 1.00 50.25 C ATOM 1093 OH TYR A 69 -0.071 14.980 -2.159 1.00 32.50 O ATOM 0 H TYR A 69 -3.798 8.388 -3.424 1.00 54.11 H new ATOM 0 HA TYR A 69 -4.813 10.849 -2.162 1.00 53.44 H new ATOM 0 HB2 TYR A 69 -3.265 10.420 -4.710 1.00 10.10 H new ATOM 0 HB3 TYR A 69 -4.522 11.641 -4.687 1.00 10.10 H new ATOM 0 HD1 TYR A 69 -1.764 10.742 -2.232 1.00 30.51 H new ATOM 0 HD2 TYR A 69 -3.560 13.704 -4.772 1.00 32.33 H new ATOM 0 HE1 TYR A 69 -0.167 12.434 -1.385 1.00 54.13 H new ATOM 0 HE2 TYR A 69 -1.950 15.396 -3.953 1.00 71.55 H new ATOM 0 HH TYR A 69 -0.261 15.837 -2.594 1.00 32.50 H new ATOM 1103 N ASP A 70 -7.037 10.526 -3.388 1.00 1.22 N ATOM 1104 CA ASP A 70 -8.352 10.244 -3.982 1.00 14.22 C ATOM 1105 C ASP A 70 -8.480 10.870 -5.378 1.00 4.40 C ATOM 1106 O ASP A 70 -7.550 11.503 -5.878 1.00 24.32 O ATOM 1107 CB ASP A 70 -9.505 10.750 -3.088 1.00 41.13 C ATOM 1108 CG ASP A 70 -9.937 9.823 -1.962 1.00 13.20 C ATOM 1109 OD1 ASP A 70 -9.269 8.800 -1.736 1.00 25.54 O ATOM 1110 OD2 ASP A 70 -11.048 10.051 -1.430 1.00 31.33 O ATOM 0 H ASP A 70 -7.042 11.296 -2.719 1.00 1.22 H new ATOM 0 HA ASP A 70 -8.427 9.160 -4.068 1.00 14.22 H new ATOM 0 HB2 ASP A 70 -9.207 11.704 -2.652 1.00 41.13 H new ATOM 0 HB3 ASP A 70 -10.370 10.946 -3.722 1.00 41.13 H new ATOM 1115 N LYS A 71 -9.667 10.733 -5.990 1.00 23.22 N ATOM 1116 CA LYS A 71 -10.057 11.419 -7.234 1.00 25.24 C ATOM 1117 C LYS A 71 -9.899 12.936 -7.108 1.00 73.52 C ATOM 1118 O LYS A 71 -9.551 13.602 -8.078 1.00 23.50 O ATOM 1119 CB LYS A 71 -11.521 11.153 -7.661 1.00 45.45 C ATOM 1120 CG LYS A 71 -12.205 9.832 -7.275 1.00 5.42 C ATOM 1121 CD LYS A 71 -12.886 9.894 -5.899 1.00 2.13 C ATOM 1122 CE LYS A 71 -13.794 8.685 -5.651 1.00 5.33 C ATOM 1123 NZ LYS A 71 -15.183 8.868 -6.112 1.00 50.01 N ATOM 0 H LYS A 71 -10.401 10.127 -5.625 1.00 23.22 H new ATOM 0 HA LYS A 71 -9.387 11.009 -7.989 1.00 25.24 H new ATOM 0 HB2 LYS A 71 -12.129 11.963 -7.258 1.00 45.45 H new ATOM 0 HB3 LYS A 71 -11.562 11.234 -8.747 1.00 45.45 H new ATOM 0 HG2 LYS A 71 -12.947 9.578 -8.032 1.00 5.42 H new ATOM 0 HG3 LYS A 71 -11.465 9.032 -7.273 1.00 5.42 H new ATOM 0 HD2 LYS A 71 -12.125 9.941 -5.120 1.00 2.13 H new ATOM 0 HD3 LYS A 71 -13.474 10.809 -5.827 1.00 2.13 H new ATOM 0 HE2 LYS A 71 -13.368 7.816 -6.152 1.00 5.33 H new ATOM 0 HE3 LYS A 71 -13.803 8.464 -4.584 1.00 5.33 H new ATOM 0 HZ1 LYS A 71 -15.732 8.009 -5.909 1.00 50.01 H new ATOM 0 HZ2 LYS A 71 -15.610 9.677 -5.616 1.00 50.01 H new ATOM 0 HZ3 LYS A 71 -15.188 9.048 -7.136 1.00 50.01 H new ATOM 1137 N GLU A 72 -10.184 13.472 -5.919 1.00 70.52 N ATOM 1138 CA GLU A 72 -10.042 14.885 -5.576 1.00 53.15 C ATOM 1139 C GLU A 72 -8.565 15.309 -5.485 1.00 71.41 C ATOM 1140 O GLU A 72 -8.287 16.466 -5.172 1.00 50.41 O ATOM 1141 CB GLU A 72 -10.739 15.124 -4.227 1.00 73.34 C ATOM 1142 CG GLU A 72 -12.243 15.394 -4.314 1.00 2.20 C ATOM 1143 CD GLU A 72 -12.751 15.855 -2.945 1.00 12.03 C ATOM 1144 OE1 GLU A 72 -12.687 15.067 -1.976 1.00 62.12 O ATOM 1145 OE2 GLU A 72 -13.143 17.036 -2.791 1.00 1.32 O ATOM 0 H GLU A 72 -10.533 12.911 -5.141 1.00 70.52 H new ATOM 0 HA GLU A 72 -10.500 15.485 -6.362 1.00 53.15 H new ATOM 0 HB2 GLU A 72 -10.578 14.252 -3.593 1.00 73.34 H new ATOM 0 HB3 GLU A 72 -10.261 15.970 -3.733 1.00 73.34 H new ATOM 0 HG2 GLU A 72 -12.445 16.157 -5.066 1.00 2.20 H new ATOM 0 HG3 GLU A 72 -12.769 14.492 -4.626 1.00 2.20 H new ATOM 1152 N GLU A 73 -7.628 14.383 -5.716 1.00 4.10 N ATOM 1153 CA GLU A 73 -6.185 14.535 -5.608 1.00 42.05 C ATOM 1154 C GLU A 73 -5.727 15.224 -4.313 1.00 72.43 C ATOM 1155 O GLU A 73 -4.779 16.012 -4.308 1.00 24.32 O ATOM 1156 CB GLU A 73 -5.538 15.012 -6.920 1.00 30.42 C ATOM 1157 CG GLU A 73 -6.054 16.324 -7.513 1.00 72.35 C ATOM 1158 CD GLU A 73 -5.321 16.690 -8.813 1.00 13.33 C ATOM 1159 OE1 GLU A 73 -4.069 16.811 -8.788 1.00 21.34 O ATOM 1160 OE2 GLU A 73 -5.963 16.853 -9.873 1.00 64.55 O ATOM 0 H GLU A 73 -7.885 13.439 -6.005 1.00 4.10 H new ATOM 0 HA GLU A 73 -5.768 13.536 -5.479 1.00 42.05 H new ATOM 0 HB2 GLU A 73 -4.466 15.115 -6.751 1.00 30.42 H new ATOM 0 HB3 GLU A 73 -5.669 14.229 -7.666 1.00 30.42 H new ATOM 0 HG2 GLU A 73 -7.123 16.238 -7.710 1.00 72.35 H new ATOM 0 HG3 GLU A 73 -5.927 17.126 -6.786 1.00 72.35 H new ATOM 1167 N HIS A 74 -6.353 14.867 -3.188 1.00 53.44 N ATOM 1168 CA HIS A 74 -5.832 15.108 -1.848 1.00 71.22 C ATOM 1169 C HIS A 74 -5.284 13.799 -1.281 1.00 33.33 C ATOM 1170 O HIS A 74 -5.848 12.744 -1.573 1.00 63.52 O ATOM 1171 CB HIS A 74 -6.945 15.656 -0.941 1.00 21.31 C ATOM 1172 CG HIS A 74 -8.096 14.704 -0.674 1.00 43.35 C ATOM 1173 ND1 HIS A 74 -9.330 14.742 -1.277 1.00 50.35 N ATOM 1174 CD2 HIS A 74 -8.106 13.641 0.192 1.00 33.41 C ATOM 1175 CE1 HIS A 74 -10.050 13.707 -0.809 1.00 21.33 C ATOM 1176 NE2 HIS A 74 -9.354 13.023 0.111 1.00 62.55 N ATOM 0 H HIS A 74 -7.256 14.392 -3.188 1.00 53.44 H new ATOM 0 HA HIS A 74 -5.031 15.845 -1.895 1.00 71.22 H new ATOM 0 HB2 HIS A 74 -6.504 15.942 0.014 1.00 21.31 H new ATOM 0 HB3 HIS A 74 -7.344 16.564 -1.393 1.00 21.31 H new ATOM 0 HD2 HIS A 74 -7.288 13.335 0.828 1.00 33.41 H new ATOM 0 HE1 HIS A 74 -11.051 13.460 -1.130 1.00 21.33 H new ATOM 0 HE2 HIS A 74 -9.673 12.214 0.644 1.00 62.55 H new ATOM 1184 N CYS A 75 -4.259 13.858 -0.423 1.00 72.35 N ATOM 1185 CA CYS A 75 -3.784 12.741 0.370 1.00 34.20 C ATOM 1186 C CYS A 75 -4.916 12.175 1.246 1.00 22.32 C ATOM 1187 O CYS A 75 -5.323 12.845 2.200 1.00 12.20 O ATOM 1188 CB CYS A 75 -2.623 13.183 1.281 1.00 13.40 C ATOM 1189 SG CYS A 75 -1.525 14.471 0.629 1.00 64.42 S ATOM 0 H CYS A 75 -3.728 14.714 -0.264 1.00 72.35 H new ATOM 0 HA CYS A 75 -3.438 11.969 -0.317 1.00 34.20 H new ATOM 0 HB2 CYS A 75 -3.044 13.538 2.222 1.00 13.40 H new ATOM 0 HB3 CYS A 75 -2.019 12.306 1.513 1.00 13.40 H new ATOM 0 HG CYS A 75 -0.989 14.062 -0.483 1.00 64.42 H new ATOM 1195 N THR A 76 -5.412 10.971 0.973 1.00 71.21 N ATOM 1196 CA THR A 76 -6.376 10.262 1.815 1.00 21.13 C ATOM 1197 C THR A 76 -5.653 9.481 2.926 1.00 13.30 C ATOM 1198 O THR A 76 -6.149 9.458 4.051 1.00 31.33 O ATOM 1199 CB THR A 76 -7.313 9.381 0.954 1.00 51.42 C ATOM 1200 OG1 THR A 76 -8.090 8.508 1.747 1.00 51.12 O ATOM 1201 CG2 THR A 76 -6.554 8.537 -0.072 1.00 65.55 C ATOM 0 H THR A 76 -5.149 10.447 0.139 1.00 71.21 H new ATOM 0 HA THR A 76 -7.017 10.987 2.317 1.00 21.13 H new ATOM 0 HB THR A 76 -7.959 10.085 0.430 1.00 51.42 H new ATOM 0 HG1 THR A 76 -8.670 7.969 1.169 1.00 51.12 H new ATOM 0 HG21 THR A 76 -7.262 7.940 -0.647 1.00 65.55 H new ATOM 0 HG22 THR A 76 -6.002 9.193 -0.745 1.00 65.55 H new ATOM 0 HG23 THR A 76 -5.857 7.877 0.444 1.00 65.55 H new ATOM 1209 N GLU A 77 -4.469 8.907 2.674 1.00 3.23 N ATOM 1210 CA GLU A 77 -3.703 8.156 3.671 1.00 24.33 C ATOM 1211 C GLU A 77 -2.208 8.403 3.500 1.00 40.43 C ATOM 1212 O GLU A 77 -1.777 8.911 2.462 1.00 21.30 O ATOM 1213 CB GLU A 77 -3.991 6.646 3.583 1.00 74.14 C ATOM 1214 CG GLU A 77 -5.269 6.246 4.327 1.00 14.22 C ATOM 1215 CD GLU A 77 -5.183 4.823 4.861 1.00 2.10 C ATOM 1216 OE1 GLU A 77 -4.919 3.874 4.083 1.00 2.33 O ATOM 1217 OE2 GLU A 77 -5.352 4.677 6.091 1.00 34.52 O ATOM 0 H GLU A 77 -4.014 8.953 1.762 1.00 3.23 H new ATOM 0 HA GLU A 77 -4.015 8.510 4.654 1.00 24.33 H new ATOM 0 HB2 GLU A 77 -4.079 6.357 2.536 1.00 74.14 H new ATOM 0 HB3 GLU A 77 -3.147 6.094 3.996 1.00 74.14 H new ATOM 0 HG2 GLU A 77 -5.441 6.936 5.153 1.00 14.22 H new ATOM 0 HG3 GLU A 77 -6.124 6.333 3.656 1.00 14.22 H new ATOM 1224 N GLN A 78 -1.418 8.013 4.503 1.00 64.12 N ATOM 1225 CA GLN A 78 0.034 8.094 4.540 1.00 40.12 C ATOM 1226 C GLN A 78 0.575 6.881 5.284 1.00 62.15 C ATOM 1227 O GLN A 78 -0.104 6.361 6.166 1.00 11.41 O ATOM 1228 CB GLN A 78 0.448 9.406 5.212 1.00 61.44 C ATOM 1229 CG GLN A 78 0.141 9.524 6.704 1.00 22.10 C ATOM 1230 CD GLN A 78 0.182 10.990 7.111 1.00 2.31 C ATOM 1231 OE1 GLN A 78 1.223 11.643 7.085 1.00 22.11 O ATOM 1232 NE2 GLN A 78 -0.962 11.576 7.390 1.00 0.33 N ATOM 0 H GLN A 78 -1.802 7.610 5.358 1.00 64.12 H new ATOM 0 HA GLN A 78 0.450 8.089 3.532 1.00 40.12 H new ATOM 0 HB2 GLN A 78 1.520 9.540 5.071 1.00 61.44 H new ATOM 0 HB3 GLN A 78 -0.047 10.228 4.694 1.00 61.44 H new ATOM 0 HG2 GLN A 78 -0.841 9.102 6.920 1.00 22.10 H new ATOM 0 HG3 GLN A 78 0.867 8.953 7.283 1.00 22.10 H new ATOM 0 HE21 GLN A 78 -1.823 11.030 7.410 1.00 0.33 H new ATOM 0 HE22 GLN A 78 -0.988 12.577 7.586 1.00 0.33 H new ATOM 1241 N TYR A 79 1.790 6.445 4.946 1.00 72.34 N ATOM 1242 CA TYR A 79 2.488 5.388 5.663 1.00 3.03 C ATOM 1243 C TYR A 79 3.986 5.702 5.642 1.00 13.12 C ATOM 1244 O TYR A 79 4.488 6.222 4.642 1.00 35.12 O ATOM 1245 CB TYR A 79 2.196 4.044 4.988 1.00 21.40 C ATOM 1246 CG TYR A 79 0.744 3.599 5.028 1.00 61.13 C ATOM 1247 CD1 TYR A 79 0.292 2.828 6.113 1.00 73.34 C ATOM 1248 CD2 TYR A 79 -0.147 3.937 3.985 1.00 12.24 C ATOM 1249 CE1 TYR A 79 -1.035 2.375 6.143 1.00 20.33 C ATOM 1250 CE2 TYR A 79 -1.495 3.533 4.045 1.00 55.14 C ATOM 1251 CZ TYR A 79 -1.941 2.755 5.135 1.00 71.31 C ATOM 1252 OH TYR A 79 -3.219 2.296 5.210 1.00 75.25 O ATOM 0 H TYR A 79 2.318 6.822 4.159 1.00 72.34 H new ATOM 0 HA TYR A 79 2.151 5.329 6.698 1.00 3.03 H new ATOM 0 HB2 TYR A 79 2.512 4.103 3.947 1.00 21.40 H new ATOM 0 HB3 TYR A 79 2.807 3.277 5.464 1.00 21.40 H new ATOM 0 HD1 TYR A 79 0.965 2.585 6.922 1.00 73.34 H new ATOM 0 HD2 TYR A 79 0.207 4.507 3.139 1.00 12.24 H new ATOM 0 HE1 TYR A 79 -1.364 1.730 6.945 1.00 20.33 H new ATOM 0 HE2 TYR A 79 -2.183 3.817 3.262 1.00 55.14 H new ATOM 0 HH TYR A 79 -3.739 2.651 4.459 1.00 75.25 H new ATOM 1262 N HIS A 80 4.724 5.419 6.717 1.00 52.12 N ATOM 1263 CA HIS A 80 6.180 5.594 6.746 1.00 55.25 C ATOM 1264 C HIS A 80 6.820 4.346 6.137 1.00 74.22 C ATOM 1265 O HIS A 80 6.376 3.226 6.419 1.00 24.53 O ATOM 1266 CB HIS A 80 6.710 5.820 8.175 1.00 11.44 C ATOM 1267 CG HIS A 80 7.240 7.214 8.419 1.00 24.54 C ATOM 1268 ND1 HIS A 80 7.910 7.999 7.506 1.00 61.54 N ATOM 1269 CD2 HIS A 80 7.216 7.894 9.607 1.00 14.34 C ATOM 1270 CE1 HIS A 80 8.270 9.132 8.122 1.00 52.24 C ATOM 1271 NE2 HIS A 80 7.870 9.119 9.405 1.00 54.44 N ATOM 0 H HIS A 80 4.333 5.063 7.589 1.00 52.12 H new ATOM 0 HA HIS A 80 6.439 6.483 6.172 1.00 55.25 H new ATOM 0 HB2 HIS A 80 5.909 5.617 8.885 1.00 11.44 H new ATOM 0 HB3 HIS A 80 7.503 5.100 8.376 1.00 11.44 H new ATOM 0 HD2 HIS A 80 6.774 7.550 10.531 1.00 14.34 H new ATOM 0 HE1 HIS A 80 8.807 9.943 7.653 1.00 52.24 H new ATOM 0 HE2 HIS A 80 8.014 9.855 10.096 1.00 54.44 H new ATOM 1279 N ILE A 81 7.805 4.514 5.251 1.00 33.53 N ATOM 1280 CA ILE A 81 8.453 3.407 4.552 1.00 42.03 C ATOM 1281 C ILE A 81 9.624 2.962 5.421 1.00 11.23 C ATOM 1282 O ILE A 81 10.709 3.558 5.359 1.00 20.42 O ATOM 1283 CB ILE A 81 8.921 3.805 3.128 1.00 31.31 C ATOM 1284 CG1 ILE A 81 7.795 4.419 2.273 1.00 53.41 C ATOM 1285 CG2 ILE A 81 9.512 2.569 2.421 1.00 73.52 C ATOM 1286 CD1 ILE A 81 8.283 4.948 0.916 1.00 1.31 C ATOM 0 H ILE A 81 8.176 5.430 4.998 1.00 33.53 H new ATOM 0 HA ILE A 81 7.746 2.591 4.405 1.00 42.03 H new ATOM 0 HB ILE A 81 9.681 4.578 3.239 1.00 31.31 H new ATOM 0 HG12 ILE A 81 7.024 3.667 2.106 1.00 53.41 H new ATOM 0 HG13 ILE A 81 7.331 5.234 2.827 1.00 53.41 H new ATOM 0 HG21 ILE A 81 9.842 2.846 1.420 1.00 73.52 H new ATOM 0 HG22 ILE A 81 10.361 2.194 2.992 1.00 73.52 H new ATOM 0 HG23 ILE A 81 8.751 1.792 2.350 1.00 73.52 H new ATOM 0 HD11 ILE A 81 7.441 5.367 0.365 1.00 1.31 H new ATOM 0 HD12 ILE A 81 9.033 5.722 1.076 1.00 1.31 H new ATOM 0 HD13 ILE A 81 8.721 4.131 0.343 1.00 1.31 H new ATOM 1298 N LEU A 82 9.424 1.923 6.231 1.00 54.12 N ATOM 1299 CA LEU A 82 10.507 1.324 7.005 1.00 41.30 C ATOM 1300 C LEU A 82 11.427 0.560 6.067 1.00 20.54 C ATOM 1301 O LEU A 82 12.610 0.889 5.948 1.00 61.42 O ATOM 1302 CB LEU A 82 9.957 0.403 8.104 1.00 41.14 C ATOM 1303 CG LEU A 82 9.113 1.143 9.153 1.00 53.42 C ATOM 1304 CD1 LEU A 82 8.593 0.124 10.170 1.00 51.24 C ATOM 1305 CD2 LEU A 82 9.939 2.222 9.862 1.00 31.24 C ATOM 0 H LEU A 82 8.517 1.478 6.368 1.00 54.12 H new ATOM 0 HA LEU A 82 11.072 2.115 7.498 1.00 41.30 H new ATOM 0 HB2 LEU A 82 9.350 -0.377 7.644 1.00 41.14 H new ATOM 0 HB3 LEU A 82 10.790 -0.093 8.602 1.00 41.14 H new ATOM 0 HG LEU A 82 8.278 1.638 8.657 1.00 53.42 H new ATOM 0 HD11 LEU A 82 7.991 0.635 10.922 1.00 51.24 H new ATOM 0 HD12 LEU A 82 7.981 -0.620 9.660 1.00 51.24 H new ATOM 0 HD13 LEU A 82 9.436 -0.370 10.654 1.00 51.24 H new ATOM 0 HD21 LEU A 82 9.317 2.730 10.599 1.00 31.24 H new ATOM 0 HD22 LEU A 82 10.790 1.759 10.362 1.00 31.24 H new ATOM 0 HD23 LEU A 82 10.298 2.945 9.130 1.00 31.24 H new ATOM 1317 N LYS A 83 10.882 -0.421 5.349 1.00 22.52 N ATOM 1318 CA LYS A 83 11.603 -1.235 4.382 1.00 21.11 C ATOM 1319 C LYS A 83 10.603 -1.656 3.310 1.00 40.41 C ATOM 1320 O LYS A 83 9.397 -1.732 3.571 1.00 11.44 O ATOM 1321 CB LYS A 83 12.220 -2.439 5.123 1.00 63.20 C ATOM 1322 CG LYS A 83 13.211 -3.288 4.307 1.00 15.22 C ATOM 1323 CD LYS A 83 14.602 -2.645 4.237 1.00 52.03 C ATOM 1324 CE LYS A 83 15.482 -3.407 3.243 1.00 0.43 C ATOM 1325 NZ LYS A 83 16.911 -3.055 3.378 1.00 42.23 N ATOM 0 H LYS A 83 9.898 -0.676 5.429 1.00 22.52 H new ATOM 0 HA LYS A 83 12.419 -0.695 3.902 1.00 21.11 H new ATOM 0 HB2 LYS A 83 12.731 -2.071 6.013 1.00 63.20 H new ATOM 0 HB3 LYS A 83 11.411 -3.085 5.464 1.00 63.20 H new ATOM 0 HG2 LYS A 83 13.292 -4.279 4.754 1.00 15.22 H new ATOM 0 HG3 LYS A 83 12.824 -3.425 3.297 1.00 15.22 H new ATOM 0 HD2 LYS A 83 14.515 -1.602 3.933 1.00 52.03 H new ATOM 0 HD3 LYS A 83 15.065 -2.651 5.224 1.00 52.03 H new ATOM 0 HE2 LYS A 83 15.357 -4.479 3.398 1.00 0.43 H new ATOM 0 HE3 LYS A 83 15.151 -3.191 2.227 1.00 0.43 H new ATOM 0 HZ1 LYS A 83 17.460 -3.543 2.642 1.00 42.23 H new ATOM 0 HZ2 LYS A 83 17.027 -2.027 3.272 1.00 42.23 H new ATOM 0 HZ3 LYS A 83 17.253 -3.347 4.316 1.00 42.23 H new ATOM 1339 N LEU A 84 11.104 -1.904 2.105 1.00 71.12 N ATOM 1340 CA LEU A 84 10.392 -2.478 0.979 1.00 61.54 C ATOM 1341 C LEU A 84 11.412 -3.391 0.295 1.00 5.31 C ATOM 1342 O LEU A 84 12.590 -3.027 0.291 1.00 11.35 O ATOM 1343 CB LEU A 84 9.952 -1.346 0.034 1.00 1.43 C ATOM 1344 CG LEU A 84 8.581 -1.568 -0.602 1.00 41.20 C ATOM 1345 CD1 LEU A 84 8.295 -0.493 -1.645 1.00 34.35 C ATOM 1346 CD2 LEU A 84 8.419 -2.913 -1.289 1.00 10.03 C ATOM 0 H LEU A 84 12.077 -1.696 1.879 1.00 71.12 H new ATOM 0 HA LEU A 84 9.497 -3.027 1.272 1.00 61.54 H new ATOM 0 HB2 LEU A 84 9.936 -0.408 0.589 1.00 1.43 H new ATOM 0 HB3 LEU A 84 10.695 -1.236 -0.756 1.00 1.43 H new ATOM 0 HG LEU A 84 7.881 -1.527 0.233 1.00 41.20 H new ATOM 0 HD11 LEU A 84 7.314 -0.667 -2.088 1.00 34.35 H new ATOM 0 HD12 LEU A 84 8.310 0.488 -1.170 1.00 34.35 H new ATOM 0 HD13 LEU A 84 9.056 -0.530 -2.424 1.00 34.35 H new ATOM 0 HD21 LEU A 84 7.417 -2.987 -1.713 1.00 10.03 H new ATOM 0 HD22 LEU A 84 9.158 -3.006 -2.085 1.00 10.03 H new ATOM 0 HD23 LEU A 84 8.566 -3.713 -0.563 1.00 10.03 H new ATOM 1358 N THR A 85 10.991 -4.529 -0.250 1.00 34.35 N ATOM 1359 CA THR A 85 11.792 -5.466 -1.033 1.00 62.40 C ATOM 1360 C THR A 85 10.895 -6.054 -2.141 1.00 11.14 C ATOM 1361 O THR A 85 9.726 -5.672 -2.253 1.00 2.31 O ATOM 1362 CB THR A 85 12.448 -6.538 -0.126 1.00 22.55 C ATOM 1363 OG1 THR A 85 11.554 -7.570 0.244 1.00 63.51 O ATOM 1364 CG2 THR A 85 13.023 -5.962 1.178 1.00 45.23 C ATOM 0 H THR A 85 10.025 -4.840 -0.151 1.00 34.35 H new ATOM 0 HA THR A 85 12.629 -4.955 -1.510 1.00 62.40 H new ATOM 0 HB THR A 85 13.252 -6.936 -0.745 1.00 22.55 H new ATOM 0 HG1 THR A 85 12.020 -8.218 0.813 1.00 63.51 H new ATOM 0 HG21 THR A 85 13.467 -6.765 1.766 1.00 45.23 H new ATOM 0 HG22 THR A 85 13.786 -5.220 0.943 1.00 45.23 H new ATOM 0 HG23 THR A 85 12.224 -5.492 1.751 1.00 45.23 H new ATOM 1372 N SER A 86 11.367 -7.007 -2.948 1.00 61.40 N ATOM 1373 CA SER A 86 10.562 -7.689 -3.964 1.00 64.20 C ATOM 1374 C SER A 86 9.443 -8.546 -3.380 1.00 3.32 C ATOM 1375 O SER A 86 8.553 -8.935 -4.144 1.00 65.42 O ATOM 1376 CB SER A 86 11.512 -8.541 -4.807 1.00 30.41 C ATOM 1377 OG SER A 86 10.977 -9.035 -6.021 1.00 30.12 O ATOM 0 H SER A 86 12.333 -7.331 -2.913 1.00 61.40 H new ATOM 0 HA SER A 86 10.058 -6.936 -4.570 1.00 64.20 H new ATOM 0 HB2 SER A 86 12.397 -7.948 -5.036 1.00 30.41 H new ATOM 0 HB3 SER A 86 11.843 -9.388 -4.205 1.00 30.41 H new ATOM 0 HG SER A 86 10.014 -9.183 -5.918 1.00 30.12 H new ATOM 1383 N LYS A 87 9.425 -8.791 -2.063 1.00 10.41 N ATOM 1384 CA LYS A 87 8.312 -9.472 -1.410 1.00 54.34 C ATOM 1385 C LYS A 87 7.890 -8.876 -0.074 1.00 4.01 C ATOM 1386 O LYS A 87 6.799 -9.206 0.376 1.00 63.34 O ATOM 1387 CB LYS A 87 8.581 -10.975 -1.283 1.00 10.33 C ATOM 1388 CG LYS A 87 9.879 -11.335 -0.538 1.00 13.41 C ATOM 1389 CD LYS A 87 9.772 -12.705 0.140 1.00 50.03 C ATOM 1390 CE LYS A 87 9.292 -13.803 -0.810 1.00 12.45 C ATOM 1391 NZ LYS A 87 10.316 -14.250 -1.779 1.00 73.44 N ATOM 0 H LYS A 87 10.178 -8.523 -1.429 1.00 10.41 H new ATOM 0 HA LYS A 87 7.460 -9.314 -2.071 1.00 54.34 H new ATOM 0 HB2 LYS A 87 7.741 -11.438 -0.766 1.00 10.33 H new ATOM 0 HB3 LYS A 87 8.619 -11.409 -2.282 1.00 10.33 H new ATOM 0 HG2 LYS A 87 10.714 -11.338 -1.239 1.00 13.41 H new ATOM 0 HG3 LYS A 87 10.094 -10.573 0.211 1.00 13.41 H new ATOM 0 HD2 LYS A 87 10.746 -12.982 0.545 1.00 50.03 H new ATOM 0 HD3 LYS A 87 9.085 -12.635 0.983 1.00 50.03 H new ATOM 0 HE2 LYS A 87 8.964 -14.660 -0.222 1.00 12.45 H new ATOM 0 HE3 LYS A 87 8.422 -13.441 -1.358 1.00 12.45 H new ATOM 0 HZ1 LYS A 87 9.917 -14.994 -2.387 1.00 73.44 H new ATOM 0 HZ2 LYS A 87 10.613 -13.445 -2.366 1.00 73.44 H new ATOM 0 HZ3 LYS A 87 11.139 -14.627 -1.266 1.00 73.44 H new ATOM 1405 N GLU A 88 8.680 -8.022 0.573 1.00 10.33 N ATOM 1406 CA GLU A 88 8.518 -7.724 1.992 1.00 71.54 C ATOM 1407 C GLU A 88 8.342 -6.216 2.170 1.00 62.21 C ATOM 1408 O GLU A 88 9.223 -5.460 1.759 1.00 4.21 O ATOM 1409 CB GLU A 88 9.761 -8.266 2.730 1.00 11.41 C ATOM 1410 CG GLU A 88 9.417 -8.905 4.075 1.00 60.14 C ATOM 1411 CD GLU A 88 10.477 -8.611 5.144 1.00 44.33 C ATOM 1412 OE1 GLU A 88 10.557 -7.436 5.578 1.00 15.44 O ATOM 1413 OE2 GLU A 88 11.179 -9.522 5.631 1.00 43.13 O ATOM 0 H GLU A 88 9.448 -7.519 0.129 1.00 10.33 H new ATOM 0 HA GLU A 88 7.632 -8.201 2.410 1.00 71.54 H new ATOM 0 HB2 GLU A 88 10.260 -9.002 2.100 1.00 11.41 H new ATOM 0 HB3 GLU A 88 10.468 -7.451 2.890 1.00 11.41 H new ATOM 0 HG2 GLU A 88 8.449 -8.535 4.414 1.00 60.14 H new ATOM 0 HG3 GLU A 88 9.320 -9.983 3.949 1.00 60.14 H new ATOM 1420 N MET A 89 7.236 -5.746 2.756 1.00 22.20 N ATOM 1421 CA MET A 89 6.916 -4.317 2.828 1.00 32.42 C ATOM 1422 C MET A 89 6.311 -3.918 4.177 1.00 1.32 C ATOM 1423 O MET A 89 5.204 -4.326 4.533 1.00 51.23 O ATOM 1424 CB MET A 89 5.986 -3.979 1.663 1.00 23.14 C ATOM 1425 CG MET A 89 5.589 -2.512 1.631 1.00 21.24 C ATOM 1426 SD MET A 89 4.911 -1.979 0.030 1.00 25.31 S ATOM 1427 CE MET A 89 3.132 -2.193 0.279 1.00 64.14 C ATOM 0 H MET A 89 6.537 -6.346 3.194 1.00 22.20 H new ATOM 0 HA MET A 89 7.837 -3.739 2.746 1.00 32.42 H new ATOM 0 HB2 MET A 89 6.477 -4.238 0.725 1.00 23.14 H new ATOM 0 HB3 MET A 89 5.087 -4.592 1.732 1.00 23.14 H new ATOM 0 HG2 MET A 89 4.849 -2.327 2.410 1.00 21.24 H new ATOM 0 HG3 MET A 89 6.461 -1.903 1.868 1.00 21.24 H new ATOM 0 HE1 MET A 89 2.588 -1.649 -0.493 1.00 64.14 H new ATOM 0 HE2 MET A 89 2.881 -3.252 0.221 1.00 64.14 H new ATOM 0 HE3 MET A 89 2.853 -1.807 1.259 1.00 64.14 H new ATOM 1437 N LYS A 90 7.015 -3.052 4.911 1.00 64.22 N ATOM 1438 CA LYS A 90 6.588 -2.537 6.213 1.00 21.12 C ATOM 1439 C LYS A 90 6.133 -1.100 6.074 1.00 51.45 C ATOM 1440 O LYS A 90 6.949 -0.170 6.060 1.00 60.54 O ATOM 1441 CB LYS A 90 7.703 -2.616 7.256 1.00 75.31 C ATOM 1442 CG LYS A 90 7.831 -3.991 7.921 1.00 20.34 C ATOM 1443 CD LYS A 90 7.987 -3.859 9.443 1.00 64.14 C ATOM 1444 CE LYS A 90 8.071 -5.234 10.105 1.00 4.22 C ATOM 1445 NZ LYS A 90 9.430 -5.795 10.033 1.00 34.43 N ATOM 0 H LYS A 90 7.917 -2.682 4.610 1.00 64.22 H new ATOM 0 HA LYS A 90 5.763 -3.162 6.555 1.00 21.12 H new ATOM 0 HB2 LYS A 90 8.651 -2.363 6.781 1.00 75.31 H new ATOM 0 HB3 LYS A 90 7.522 -1.866 8.026 1.00 75.31 H new ATOM 0 HG2 LYS A 90 6.950 -4.591 7.694 1.00 20.34 H new ATOM 0 HG3 LYS A 90 8.691 -4.519 7.509 1.00 20.34 H new ATOM 0 HD2 LYS A 90 8.885 -3.285 9.672 1.00 64.14 H new ATOM 0 HD3 LYS A 90 7.142 -3.305 9.852 1.00 64.14 H new ATOM 0 HE2 LYS A 90 7.766 -5.154 11.148 1.00 4.22 H new ATOM 0 HE3 LYS A 90 7.371 -5.914 9.620 1.00 4.22 H new ATOM 0 HZ1 LYS A 90 9.445 -6.728 10.493 1.00 34.43 H new ATOM 0 HZ2 LYS A 90 9.712 -5.895 9.037 1.00 34.43 H new ATOM 0 HZ3 LYS A 90 10.094 -5.159 10.518 1.00 34.43 H new ATOM 1459 N TRP A 91 4.824 -0.937 5.930 1.00 22.20 N ATOM 1460 CA TRP A 91 4.153 0.343 6.000 1.00 33.40 C ATOM 1461 C TRP A 91 3.856 0.598 7.475 1.00 24.44 C ATOM 1462 O TRP A 91 2.914 0.010 8.006 1.00 61.41 O ATOM 1463 CB TRP A 91 2.876 0.281 5.147 1.00 55.04 C ATOM 1464 CG TRP A 91 3.002 0.728 3.713 1.00 63.32 C ATOM 1465 CD1 TRP A 91 1.983 1.268 3.005 1.00 54.22 C ATOM 1466 CD2 TRP A 91 4.170 0.782 2.816 1.00 72.43 C ATOM 1467 NE1 TRP A 91 2.437 1.694 1.780 1.00 44.22 N ATOM 1468 CE2 TRP A 91 3.766 1.409 1.599 1.00 64.15 C ATOM 1469 CE3 TRP A 91 5.534 0.407 2.887 1.00 40.12 C ATOM 1470 CZ2 TRP A 91 4.642 1.650 0.532 1.00 65.22 C ATOM 1471 CZ3 TRP A 91 6.417 0.624 1.814 1.00 60.41 C ATOM 1472 CH2 TRP A 91 5.983 1.261 0.642 1.00 32.50 C ATOM 0 H TRP A 91 4.188 -1.716 5.757 1.00 22.20 H new ATOM 0 HA TRP A 91 4.759 1.160 5.608 1.00 33.40 H new ATOM 0 HB2 TRP A 91 2.511 -0.746 5.153 1.00 55.04 H new ATOM 0 HB3 TRP A 91 2.114 0.893 5.629 1.00 55.04 H new ATOM 0 HD1 TRP A 91 0.964 1.352 3.352 1.00 54.22 H new ATOM 0 HE1 TRP A 91 1.855 2.166 1.088 1.00 44.22 H new ATOM 0 HE3 TRP A 91 5.906 -0.058 3.788 1.00 40.12 H new ATOM 0 HZ2 TRP A 91 4.286 2.131 -0.367 1.00 65.22 H new ATOM 0 HZ3 TRP A 91 7.443 0.296 1.893 1.00 60.41 H new ATOM 0 HH2 TRP A 91 6.675 1.449 -0.166 1.00 32.50 H new ATOM 1483 N GLU A 92 4.658 1.423 8.153 1.00 51.04 N ATOM 1484 CA GLU A 92 4.287 1.947 9.468 1.00 33.22 C ATOM 1485 C GLU A 92 3.153 2.959 9.267 1.00 13.13 C ATOM 1486 O GLU A 92 3.134 3.659 8.254 1.00 32.13 O ATOM 1487 CB GLU A 92 5.513 2.604 10.131 1.00 34.23 C ATOM 1488 CG GLU A 92 5.217 3.165 11.537 1.00 53.12 C ATOM 1489 CD GLU A 92 6.395 3.906 12.184 1.00 33.14 C ATOM 1490 OE1 GLU A 92 7.568 3.533 11.985 1.00 41.05 O ATOM 1491 OE2 GLU A 92 6.136 4.886 12.920 1.00 33.44 O ATOM 0 H GLU A 92 5.566 1.741 7.814 1.00 51.04 H new ATOM 0 HA GLU A 92 3.947 1.147 10.126 1.00 33.22 H new ATOM 0 HB2 GLU A 92 6.316 1.871 10.201 1.00 34.23 H new ATOM 0 HB3 GLU A 92 5.873 3.411 9.493 1.00 34.23 H new ATOM 0 HG2 GLU A 92 4.367 3.845 11.472 1.00 53.12 H new ATOM 0 HG3 GLU A 92 4.919 2.343 12.188 1.00 53.12 H new ATOM 1498 N ASN A 93 2.256 3.084 10.250 1.00 62.15 N ATOM 1499 CA ASN A 93 1.162 4.048 10.263 1.00 3.34 C ATOM 1500 C ASN A 93 1.672 5.469 10.052 1.00 11.44 C ATOM 1501 O ASN A 93 1.118 6.181 9.221 1.00 54.14 O ATOM 1502 CB ASN A 93 0.402 3.917 11.596 1.00 62.45 C ATOM 1503 CG ASN A 93 -0.623 5.004 11.926 1.00 12.13 C ATOM 1504 OD1 ASN A 93 -1.098 5.043 13.050 1.00 64.23 O ATOM 1505 ND2 ASN A 93 -1.022 5.893 11.035 1.00 21.10 N ATOM 0 H ASN A 93 2.276 2.496 11.083 1.00 62.15 H new ATOM 0 HA ASN A 93 0.483 3.834 9.438 1.00 3.34 H new ATOM 0 HB2 ASN A 93 -0.112 2.956 11.599 1.00 62.45 H new ATOM 0 HB3 ASN A 93 1.136 3.888 12.402 1.00 62.45 H new ATOM 0 HD21 ASN A 93 -1.715 6.596 11.291 1.00 21.10 H new ATOM 0 HD22 ASN A 93 -0.637 5.877 10.091 1.00 21.10 H new ATOM 1512 N ALA A 94 2.683 5.889 10.817 1.00 23.41 N ATOM 1513 CA ALA A 94 3.217 7.247 10.888 1.00 60.44 C ATOM 1514 C ALA A 94 2.239 8.245 11.525 1.00 71.43 C ATOM 1515 O ALA A 94 2.633 8.914 12.474 1.00 72.31 O ATOM 1516 CB ALA A 94 3.702 7.717 9.513 1.00 12.24 C ATOM 0 H ALA A 94 3.178 5.250 11.439 1.00 23.41 H new ATOM 0 HA ALA A 94 4.078 7.213 11.555 1.00 60.44 H new ATOM 0 HB1 ALA A 94 4.095 8.731 9.593 1.00 12.24 H new ATOM 0 HB2 ALA A 94 4.487 7.050 9.157 1.00 12.24 H new ATOM 0 HB3 ALA A 94 2.869 7.705 8.810 1.00 12.24 H new ATOM 1522 N SER A 95 0.984 8.326 11.066 1.00 14.20 N ATOM 1523 CA SER A 95 -0.002 9.308 11.508 1.00 51.04 C ATOM 1524 C SER A 95 -1.122 8.649 12.335 1.00 23.20 C ATOM 1525 O SER A 95 -2.212 8.385 11.825 1.00 31.11 O ATOM 1526 CB SER A 95 -0.503 10.045 10.257 1.00 11.02 C ATOM 1527 OG SER A 95 -1.117 11.283 10.555 1.00 11.43 O ATOM 0 H SER A 95 0.620 7.690 10.356 1.00 14.20 H new ATOM 0 HA SER A 95 0.441 10.035 12.188 1.00 51.04 H new ATOM 0 HB2 SER A 95 0.336 10.215 9.582 1.00 11.02 H new ATOM 0 HB3 SER A 95 -1.215 9.410 9.729 1.00 11.02 H new ATOM 0 HG SER A 95 -1.916 11.394 9.999 1.00 11.43 H new ATOM 1533 N PRO A 96 -0.911 8.365 13.630 1.00 54.32 N ATOM 1534 CA PRO A 96 -1.927 7.762 14.488 1.00 21.32 C ATOM 1535 C PRO A 96 -3.083 8.720 14.787 1.00 74.41 C ATOM 1536 O PRO A 96 -4.142 8.287 15.243 1.00 44.24 O ATOM 1537 CB PRO A 96 -1.175 7.319 15.743 1.00 13.11 C ATOM 1538 CG PRO A 96 0.019 8.259 15.821 1.00 53.34 C ATOM 1539 CD PRO A 96 0.326 8.553 14.355 1.00 71.53 C ATOM 0 HA PRO A 96 -2.415 6.916 14.004 1.00 21.32 H new ATOM 0 HB2 PRO A 96 -1.802 7.399 16.631 1.00 13.11 H new ATOM 0 HB3 PRO A 96 -0.858 6.279 15.670 1.00 13.11 H new ATOM 0 HG2 PRO A 96 -0.219 9.168 16.373 1.00 53.34 H new ATOM 0 HG3 PRO A 96 0.866 7.793 16.325 1.00 53.34 H new ATOM 0 HD2 PRO A 96 0.696 9.571 14.233 1.00 71.53 H new ATOM 0 HD3 PRO A 96 1.101 7.885 13.980 1.00 71.53 H new ATOM 1547 N LYS A 97 -2.919 10.014 14.501 1.00 21.50 N ATOM 1548 CA LYS A 97 -4.003 10.990 14.449 1.00 24.32 C ATOM 1549 C LYS A 97 -5.021 10.628 13.370 1.00 53.45 C ATOM 1550 O LYS A 97 -6.225 10.702 13.607 1.00 62.14 O ATOM 1551 CB LYS A 97 -3.391 12.383 14.242 1.00 60.53 C ATOM 1552 CG LYS A 97 -2.840 12.665 12.842 1.00 52.14 C ATOM 1553 CD LYS A 97 -2.018 13.956 12.736 1.00 21.23 C ATOM 1554 CE LYS A 97 -0.564 13.799 13.188 1.00 54.24 C ATOM 1555 NZ LYS A 97 0.267 13.114 12.178 1.00 2.44 N ATOM 0 H LYS A 97 -2.006 10.419 14.295 1.00 21.50 H new ATOM 0 HA LYS A 97 -4.556 10.988 15.388 1.00 24.32 H new ATOM 0 HB2 LYS A 97 -4.150 13.131 14.471 1.00 60.53 H new ATOM 0 HB3 LYS A 97 -2.585 12.516 14.963 1.00 60.53 H new ATOM 0 HG2 LYS A 97 -2.217 11.825 12.533 1.00 52.14 H new ATOM 0 HG3 LYS A 97 -3.673 12.719 12.141 1.00 52.14 H new ATOM 0 HD2 LYS A 97 -2.032 14.302 11.702 1.00 21.23 H new ATOM 0 HD3 LYS A 97 -2.495 14.730 13.338 1.00 21.23 H new ATOM 0 HE2 LYS A 97 -0.142 14.783 13.395 1.00 54.24 H new ATOM 0 HE3 LYS A 97 -0.535 13.236 14.121 1.00 54.24 H new ATOM 0 HZ1 LYS A 97 0.997 12.547 12.655 1.00 2.44 H new ATOM 0 HZ2 LYS A 97 -0.332 12.491 11.600 1.00 2.44 H new ATOM 0 HZ3 LYS A 97 0.723 13.821 11.566 1.00 2.44 H new ATOM 1569 N ASP A 98 -4.539 10.235 12.191 1.00 21.42 N ATOM 1570 CA ASP A 98 -5.366 9.870 11.048 1.00 0.12 C ATOM 1571 C ASP A 98 -5.893 8.454 11.223 1.00 75.32 C ATOM 1572 O ASP A 98 -7.022 8.161 10.833 1.00 13.40 O ATOM 1573 CB ASP A 98 -4.550 9.951 9.760 1.00 61.42 C ATOM 1574 CG ASP A 98 -4.477 11.366 9.199 1.00 52.33 C ATOM 1575 OD1 ASP A 98 -5.517 11.880 8.721 1.00 13.14 O ATOM 1576 OD2 ASP A 98 -3.381 11.979 9.226 1.00 34.22 O ATOM 0 H ASP A 98 -3.539 10.161 12.003 1.00 21.42 H new ATOM 0 HA ASP A 98 -6.203 10.565 10.986 1.00 0.12 H new ATOM 0 HB2 ASP A 98 -3.540 9.588 9.951 1.00 61.42 H new ATOM 0 HB3 ASP A 98 -4.991 9.291 9.013 1.00 61.42 H new ATOM 1581 N GLY A 99 -5.078 7.587 11.824 1.00 35.51 N ATOM 1582 CA GLY A 99 -5.358 6.167 11.927 1.00 75.15 C ATOM 1583 C GLY A 99 -5.142 5.522 10.564 1.00 61.22 C ATOM 1584 O GLY A 99 -6.097 5.277 9.822 1.00 51.12 O ATOM 0 H GLY A 99 -4.196 7.861 12.256 1.00 35.51 H new ATOM 0 HA2 GLY A 99 -4.706 5.707 12.669 1.00 75.15 H new ATOM 0 HA3 GLY A 99 -6.383 6.008 12.261 1.00 75.15 H new ATOM 1588 N ASN A 100 -3.878 5.284 10.213 1.00 71.54 N ATOM 1589 CA ASN A 100 -3.482 4.426 9.098 1.00 23.44 C ATOM 1590 C ASN A 100 -3.025 3.104 9.733 1.00 0.01 C ATOM 1591 O ASN A 100 -2.680 3.080 10.919 1.00 53.35 O ATOM 1592 CB ASN A 100 -2.380 5.055 8.228 1.00 43.03 C ATOM 1593 CG ASN A 100 -2.619 6.534 7.981 1.00 42.22 C ATOM 1594 OD1 ASN A 100 -1.947 7.381 8.558 1.00 62.21 O ATOM 1595 ND2 ASN A 100 -3.627 6.869 7.194 1.00 55.24 N ATOM 0 H ASN A 100 -3.084 5.692 10.707 1.00 71.54 H new ATOM 0 HA ASN A 100 -4.316 4.274 8.413 1.00 23.44 H new ATOM 0 HB2 ASN A 100 -1.414 4.921 8.715 1.00 43.03 H new ATOM 0 HB3 ASN A 100 -2.331 4.532 7.273 1.00 43.03 H new ATOM 0 HD21 ASN A 100 -3.861 7.852 7.056 1.00 55.24 H new ATOM 0 HD22 ASN A 100 -4.171 6.144 6.725 1.00 55.24 H new ATOM 1602 N SER A 101 -2.989 1.998 8.996 1.00 21.12 N ATOM 1603 CA SER A 101 -2.555 0.709 9.543 1.00 22.31 C ATOM 1604 C SER A 101 -1.027 0.654 9.731 1.00 1.32 C ATOM 1605 O SER A 101 -0.309 1.447 9.123 1.00 64.45 O ATOM 1606 CB SER A 101 -2.969 -0.401 8.579 1.00 33.54 C ATOM 1607 OG SER A 101 -4.070 -0.071 7.747 1.00 61.45 O ATOM 0 H SER A 101 -3.256 1.965 8.012 1.00 21.12 H new ATOM 0 HA SER A 101 -3.025 0.580 10.518 1.00 22.31 H new ATOM 0 HB2 SER A 101 -2.117 -0.656 7.949 1.00 33.54 H new ATOM 0 HB3 SER A 101 -3.218 -1.292 9.155 1.00 33.54 H new ATOM 0 HG SER A 101 -4.659 -0.850 7.659 1.00 61.45 H new ATOM 1613 N ASP A 102 -0.498 -0.351 10.437 1.00 61.31 N ATOM 1614 CA ASP A 102 0.938 -0.553 10.663 1.00 23.54 C ATOM 1615 C ASP A 102 1.363 -2.021 10.434 1.00 24.20 C ATOM 1616 O ASP A 102 2.186 -2.567 11.172 1.00 34.11 O ATOM 1617 CB ASP A 102 1.338 -0.006 12.048 1.00 74.43 C ATOM 1618 CG ASP A 102 1.033 -0.936 13.230 1.00 54.45 C ATOM 1619 OD1 ASP A 102 -0.094 -1.484 13.315 1.00 62.55 O ATOM 1620 OD2 ASP A 102 1.909 -1.118 14.099 1.00 24.31 O ATOM 0 H ASP A 102 -1.073 -1.067 10.880 1.00 61.31 H new ATOM 0 HA ASP A 102 1.492 0.018 9.919 1.00 23.54 H new ATOM 0 HB2 ASP A 102 2.407 0.209 12.041 1.00 74.43 H new ATOM 0 HB3 ASP A 102 0.824 0.941 12.209 1.00 74.43 H new ATOM 1625 N LYS A 103 0.806 -2.694 9.417 1.00 3.13 N ATOM 1626 CA LYS A 103 1.019 -4.138 9.186 1.00 22.12 C ATOM 1627 C LYS A 103 2.229 -4.396 8.279 1.00 71.15 C ATOM 1628 O LYS A 103 3.046 -3.491 8.068 1.00 35.11 O ATOM 1629 CB LYS A 103 -0.262 -4.832 8.680 1.00 33.14 C ATOM 1630 CG LYS A 103 -0.651 -4.467 7.242 1.00 55.41 C ATOM 1631 CD LYS A 103 -1.715 -3.361 7.226 1.00 73.43 C ATOM 1632 CE LYS A 103 -1.798 -2.683 5.854 1.00 4.03 C ATOM 1633 NZ LYS A 103 -3.018 -1.860 5.693 1.00 14.02 N ATOM 0 H LYS A 103 0.194 -2.256 8.729 1.00 3.13 H new ATOM 0 HA LYS A 103 1.254 -4.591 10.149 1.00 22.12 H new ATOM 0 HB2 LYS A 103 -0.126 -5.912 8.744 1.00 33.14 H new ATOM 0 HB3 LYS A 103 -1.087 -4.574 9.344 1.00 33.14 H new ATOM 0 HG2 LYS A 103 0.232 -4.136 6.695 1.00 55.41 H new ATOM 0 HG3 LYS A 103 -1.031 -5.350 6.729 1.00 55.41 H new ATOM 0 HD2 LYS A 103 -2.686 -3.785 7.483 1.00 73.43 H new ATOM 0 HD3 LYS A 103 -1.480 -2.617 7.987 1.00 73.43 H new ATOM 0 HE2 LYS A 103 -0.919 -2.054 5.711 1.00 4.03 H new ATOM 0 HE3 LYS A 103 -1.774 -3.445 5.075 1.00 4.03 H new ATOM 0 HZ1 LYS A 103 -3.347 -1.916 4.708 1.00 14.02 H new ATOM 0 HZ2 LYS A 103 -3.762 -2.214 6.327 1.00 14.02 H new ATOM 0 HZ3 LYS A 103 -2.803 -0.871 5.930 1.00 14.02 H new ATOM 1647 N ARG A 104 2.371 -5.616 7.743 1.00 23.12 N ATOM 1648 CA ARG A 104 3.492 -5.993 6.893 1.00 21.44 C ATOM 1649 C ARG A 104 2.980 -6.657 5.623 1.00 61.51 C ATOM 1650 O ARG A 104 2.734 -7.851 5.587 1.00 64.32 O ATOM 1651 CB ARG A 104 4.462 -6.861 7.720 1.00 53.43 C ATOM 1652 CG ARG A 104 5.555 -7.585 6.912 1.00 15.00 C ATOM 1653 CD ARG A 104 5.372 -9.114 6.932 1.00 53.44 C ATOM 1654 NE ARG A 104 6.026 -9.728 8.103 1.00 43.31 N ATOM 1655 CZ ARG A 104 6.433 -11.003 8.163 1.00 33.30 C ATOM 1656 NH1 ARG A 104 5.983 -11.903 7.296 1.00 22.22 N ATOM 1657 NH2 ARG A 104 7.288 -11.381 9.100 1.00 41.31 N ATOM 0 H ARG A 104 1.701 -6.371 7.893 1.00 23.12 H new ATOM 0 HA ARG A 104 4.054 -5.121 6.557 1.00 21.44 H new ATOM 0 HB2 ARG A 104 4.944 -6.228 8.465 1.00 53.43 H new ATOM 0 HB3 ARG A 104 3.882 -7.607 8.263 1.00 53.43 H new ATOM 0 HG2 ARG A 104 5.537 -7.232 5.881 1.00 15.00 H new ATOM 0 HG3 ARG A 104 6.534 -7.332 7.319 1.00 15.00 H new ATOM 0 HD2 ARG A 104 4.309 -9.353 6.943 1.00 53.44 H new ATOM 0 HD3 ARG A 104 5.786 -9.542 6.019 1.00 53.44 H new ATOM 0 HE ARG A 104 6.179 -9.142 8.923 1.00 43.31 H new ATOM 0 HH11 ARG A 104 5.319 -11.627 6.573 1.00 22.22 H new ATOM 0 HH12 ARG A 104 6.302 -12.870 7.353 1.00 22.22 H new ATOM 0 HH21 ARG A 104 7.637 -10.702 9.776 1.00 41.31 H new ATOM 0 HH22 ARG A 104 7.598 -12.352 9.146 1.00 41.31 H new ATOM 1671 N LEU A 105 2.816 -5.876 4.562 1.00 73.24 N ATOM 1672 CA LEU A 105 2.370 -6.348 3.257 1.00 22.53 C ATOM 1673 C LEU A 105 3.423 -7.347 2.761 1.00 32.51 C ATOM 1674 O LEU A 105 4.621 -7.053 2.792 1.00 44.15 O ATOM 1675 CB LEU A 105 2.248 -5.153 2.286 1.00 51.45 C ATOM 1676 CG LEU A 105 1.029 -4.229 2.462 1.00 65.42 C ATOM 1677 CD1 LEU A 105 -0.230 -4.891 1.985 1.00 4.43 C ATOM 1678 CD2 LEU A 105 0.955 -3.608 3.849 1.00 40.01 C ATOM 0 H LEU A 105 2.994 -4.872 4.586 1.00 73.24 H new ATOM 0 HA LEU A 105 1.392 -6.826 3.318 1.00 22.53 H new ATOM 0 HB2 LEU A 105 3.149 -4.547 2.381 1.00 51.45 H new ATOM 0 HB3 LEU A 105 2.232 -5.544 1.269 1.00 51.45 H new ATOM 0 HG LEU A 105 1.160 -3.366 1.809 1.00 65.42 H new ATOM 0 HD11 LEU A 105 -1.072 -4.213 2.123 1.00 4.43 H new ATOM 0 HD12 LEU A 105 -0.133 -5.139 0.928 1.00 4.43 H new ATOM 0 HD13 LEU A 105 -0.401 -5.803 2.557 1.00 4.43 H new ATOM 0 HD21 LEU A 105 0.076 -2.967 3.914 1.00 40.01 H new ATOM 0 HD22 LEU A 105 0.885 -4.397 4.598 1.00 40.01 H new ATOM 0 HD23 LEU A 105 1.851 -3.014 4.030 1.00 40.01 H new ATOM 1690 N GLU A 106 3.005 -8.505 2.248 1.00 31.34 N ATOM 1691 CA GLU A 106 3.925 -9.542 1.775 1.00 30.12 C ATOM 1692 C GLU A 106 3.472 -9.986 0.387 1.00 2.04 C ATOM 1693 O GLU A 106 3.022 -11.119 0.174 1.00 62.21 O ATOM 1694 CB GLU A 106 4.009 -10.722 2.745 1.00 33.14 C ATOM 1695 CG GLU A 106 5.182 -11.681 2.460 1.00 32.50 C ATOM 1696 CD GLU A 106 4.945 -13.075 3.070 1.00 62.41 C ATOM 1697 OE1 GLU A 106 3.870 -13.677 2.832 1.00 34.10 O ATOM 1698 OE2 GLU A 106 5.826 -13.585 3.799 1.00 13.21 O ATOM 0 H GLU A 106 2.020 -8.751 2.148 1.00 31.34 H new ATOM 0 HA GLU A 106 4.933 -9.131 1.720 1.00 30.12 H new ATOM 0 HB2 GLU A 106 4.104 -10.339 3.761 1.00 33.14 H new ATOM 0 HB3 GLU A 106 3.075 -11.283 2.702 1.00 33.14 H new ATOM 0 HG2 GLU A 106 5.321 -11.775 1.383 1.00 32.50 H new ATOM 0 HG3 GLU A 106 6.102 -11.259 2.864 1.00 32.50 H new ATOM 1705 N LYS A 107 3.593 -9.060 -0.562 1.00 33.32 N ATOM 1706 CA LYS A 107 3.307 -9.283 -1.971 1.00 62.15 C ATOM 1707 C LYS A 107 1.922 -9.873 -2.202 1.00 45.04 C ATOM 1708 O LYS A 107 1.066 -9.746 -1.334 1.00 45.23 O ATOM 1709 CB LYS A 107 4.482 -10.086 -2.562 1.00 31.41 C ATOM 1710 CG LYS A 107 5.021 -9.471 -3.867 1.00 21.52 C ATOM 1711 CD LYS A 107 5.567 -8.036 -3.760 1.00 30.50 C ATOM 1712 CE LYS A 107 5.549 -7.287 -5.088 1.00 33.54 C ATOM 1713 NZ LYS A 107 6.564 -7.798 -6.039 1.00 51.21 N ATOM 0 H LYS A 107 3.902 -8.108 -0.363 1.00 33.32 H new ATOM 0 HA LYS A 107 3.245 -8.339 -2.513 1.00 62.15 H new ATOM 0 HB2 LYS A 107 5.287 -10.138 -1.829 1.00 31.41 H new ATOM 0 HB3 LYS A 107 4.159 -11.109 -2.753 1.00 31.41 H new ATOM 0 HG2 LYS A 107 5.815 -10.113 -4.248 1.00 21.52 H new ATOM 0 HG3 LYS A 107 4.221 -9.480 -4.607 1.00 21.52 H new ATOM 0 HD2 LYS A 107 4.976 -7.483 -3.030 1.00 30.50 H new ATOM 0 HD3 LYS A 107 6.589 -8.070 -3.383 1.00 30.50 H new ATOM 0 HE2 LYS A 107 4.559 -7.372 -5.537 1.00 33.54 H new ATOM 0 HE3 LYS A 107 5.726 -6.227 -4.907 1.00 33.54 H new ATOM 0 HZ1 LYS A 107 6.927 -7.012 -6.615 1.00 51.21 H new ATOM 0 HZ2 LYS A 107 7.348 -8.231 -5.510 1.00 51.21 H new ATOM 0 HZ3 LYS A 107 6.130 -8.511 -6.660 1.00 51.21 H new ATOM 1727 N TYR A 108 1.628 -10.394 -3.386 1.00 1.13 N ATOM 1728 CA TYR A 108 0.342 -11.012 -3.681 1.00 43.14 C ATOM 1729 C TYR A 108 0.561 -12.463 -4.069 1.00 13.43 C ATOM 1730 O TYR A 108 0.808 -12.739 -5.243 1.00 72.11 O ATOM 1731 CB TYR A 108 -0.378 -10.237 -4.782 1.00 11.33 C ATOM 1732 CG TYR A 108 -1.704 -10.848 -5.179 1.00 52.24 C ATOM 1733 CD1 TYR A 108 -2.781 -10.794 -4.281 1.00 22.33 C ATOM 1734 CD2 TYR A 108 -1.858 -11.493 -6.422 1.00 62.35 C ATOM 1735 CE1 TYR A 108 -4.017 -11.361 -4.624 1.00 31.33 C ATOM 1736 CE2 TYR A 108 -3.087 -12.082 -6.768 1.00 33.52 C ATOM 1737 CZ TYR A 108 -4.173 -12.012 -5.866 1.00 34.21 C ATOM 1738 OH TYR A 108 -5.367 -12.595 -6.163 1.00 61.31 O ATOM 0 H TYR A 108 2.278 -10.400 -4.172 1.00 1.13 H new ATOM 0 HA TYR A 108 -0.293 -10.984 -2.796 1.00 43.14 H new ATOM 0 HB2 TYR A 108 -0.544 -9.213 -4.446 1.00 11.33 H new ATOM 0 HB3 TYR A 108 0.266 -10.184 -5.660 1.00 11.33 H new ATOM 0 HD1 TYR A 108 -2.658 -10.314 -3.322 1.00 22.33 H new ATOM 0 HD2 TYR A 108 -1.028 -11.535 -7.112 1.00 62.35 H new ATOM 0 HE1 TYR A 108 -4.849 -11.299 -3.938 1.00 31.33 H new ATOM 0 HE2 TYR A 108 -3.200 -12.585 -7.717 1.00 33.52 H new ATOM 0 HH TYR A 108 -5.320 -13.002 -7.053 1.00 61.31 H new ATOM 1748 N ASN A 109 0.489 -13.368 -3.087 1.00 45.32 N ATOM 1749 CA ASN A 109 0.502 -14.824 -3.264 1.00 42.22 C ATOM 1750 C ASN A 109 1.574 -15.230 -4.280 1.00 33.10 C ATOM 1751 O ASN A 109 1.265 -15.780 -5.338 1.00 72.22 O ATOM 1752 CB ASN A 109 -0.915 -15.338 -3.573 1.00 64.44 C ATOM 1753 CG ASN A 109 -0.999 -16.853 -3.773 1.00 33.12 C ATOM 1754 OD1 ASN A 109 -1.616 -17.314 -4.734 1.00 71.42 O ATOM 1755 ND2 ASN A 109 -0.424 -17.654 -2.890 1.00 53.05 N ATOM 0 H ASN A 109 0.417 -13.095 -2.107 1.00 45.32 H new ATOM 0 HA ASN A 109 0.789 -15.316 -2.335 1.00 42.22 H new ATOM 0 HB2 ASN A 109 -1.580 -15.052 -2.758 1.00 64.44 H new ATOM 0 HB3 ASN A 109 -1.282 -14.842 -4.472 1.00 64.44 H new ATOM 0 HD21 ASN A 109 -0.489 -18.666 -3.001 1.00 53.05 H new ATOM 0 HD22 ASN A 109 0.084 -17.259 -2.098 1.00 53.05 H new ATOM 1762 N ASP A 110 2.818 -14.874 -3.956 1.00 32.54 N ATOM 1763 CA ASP A 110 4.054 -14.983 -4.721 1.00 64.52 C ATOM 1764 C ASP A 110 3.980 -14.368 -6.113 1.00 32.43 C ATOM 1765 O ASP A 110 4.367 -13.192 -6.256 1.00 70.54 O ATOM 1766 CB ASP A 110 4.546 -16.424 -4.679 1.00 62.44 C ATOM 1767 CG ASP A 110 6.005 -16.506 -5.104 1.00 5.04 C ATOM 1768 OD1 ASP A 110 6.858 -16.343 -4.203 1.00 3.21 O ATOM 1769 OD2 ASP A 110 6.297 -16.700 -6.308 1.00 2.13 O ATOM 0 H ASP A 110 3.000 -14.454 -3.045 1.00 32.54 H new ATOM 0 HA ASP A 110 4.813 -14.364 -4.243 1.00 64.52 H new ATOM 0 HB2 ASP A 110 4.433 -16.823 -3.671 1.00 62.44 H new ATOM 0 HB3 ASP A 110 3.935 -17.042 -5.337 1.00 62.44 H new TER 1774 ASP A 110