USER MOD reduce.3.24.130724 H: found=0, std=0, add=876, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 877 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 94 ASN : amide:sc= -2.39! C(o=-2.4!,f=-3.6!) USER MOD Set 1.2: A 107 GLN : amide:sc= -0.0467 K(o=-2.4,f=-5.9!) USER MOD Set 2.1: A 45 MET CE :methyl -123:sc= -0.89 (180deg=-3.38!) USER MOD Set 2.2: A 90 TYR OH : rot 111:sc= -1.2 USER MOD Set 3.1: A 9 GLN : amide:sc= 0.9 K(o=1.8,f=-1) USER MOD Set 3.2: A 22 THR OG1 : rot 174:sc= 0.404 USER MOD Set 3.3: A 63 LYS NZ :NH3+ -115:sc= 0.52 (180deg=0) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ 158:sc= 0.637 (180deg=0.308) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 THR OG1 : rot 100:sc= 0.0786 USER MOD Single : A 15 ASN : amide:sc= -0.0408 X(o=-0.041,f=-0.041) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 TYR OH : rot 180:sc= -0.0958 USER MOD Single : A 23 TYR OH : rot 90:sc= -0.204 USER MOD Single : A 24 GLN : amide:sc= -0.131 X(o=-0.13,f=-0.29) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ -109:sc= 0.699 (180deg=0) USER MOD Single : A 36 LYS NZ :NH3+ -175:sc=-0.00632 (180deg=-0.0595) USER MOD Single : A 38 LYS NZ :NH3+ 175:sc= 0.673 (180deg=0.654) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 ASN : amide:sc= -0.269 K(o=-0.27,f=-4.2!) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0753) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 64 HIS : no HE2:sc= -0.219 K(o=-0.22,f=-1.8) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 LYS NZ :NH3+ 139:sc= 0.816 (180deg=0.0103) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 LYS NZ :NH3+ 146:sc= 0.55 (180deg=0.0646) USER MOD Single : A 82 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 83 LYS NZ :NH3+ 142:sc= -0.252 (180deg=-1.85!) USER MOD Single : A 91 ASN : amide:sc= 0.525 K(o=0.53,f=-5!) USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 96 THR OG1 : rot 180:sc= 0 USER MOD Single : A 101 THR OG1 : rot 170:sc= -0.381 USER MOD Single : A 103 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 38 N LYS A 4 15.443 -5.293 1.035 1.00 63.21 N ATOM 39 CA LYS A 4 14.997 -5.560 2.402 1.00 43.55 C ATOM 40 C LYS A 4 13.794 -6.504 2.401 1.00 41.14 C ATOM 41 O LYS A 4 13.041 -6.579 1.412 1.00 45.51 O ATOM 42 CB LYS A 4 14.590 -4.228 3.083 1.00 5.22 C ATOM 43 CG LYS A 4 15.640 -3.100 2.988 1.00 25.54 C ATOM 44 CD LYS A 4 15.119 -1.780 3.600 1.00 31.35 C ATOM 45 CE LYS A 4 16.062 -0.596 3.351 1.00 62.21 C ATOM 46 NZ LYS A 4 17.412 -0.804 3.936 1.00 71.51 N ATOM 0 HA LYS A 4 15.816 -6.027 2.948 1.00 43.55 H new ATOM 0 HB2 LYS A 4 13.660 -3.877 2.635 1.00 5.22 H new ATOM 0 HB3 LYS A 4 14.383 -4.424 4.135 1.00 5.22 H new ATOM 0 HG2 LYS A 4 16.550 -3.406 3.504 1.00 25.54 H new ATOM 0 HG3 LYS A 4 15.905 -2.937 1.943 1.00 25.54 H new ATOM 0 HD2 LYS A 4 14.139 -1.552 3.181 1.00 31.35 H new ATOM 0 HD3 LYS A 4 14.984 -1.911 4.674 1.00 31.35 H new ATOM 0 HE2 LYS A 4 16.157 -0.432 2.278 1.00 62.21 H new ATOM 0 HE3 LYS A 4 15.623 0.308 3.774 1.00 62.21 H new ATOM 0 HZ1 LYS A 4 18.008 0.025 3.738 1.00 71.51 H new ATOM 0 HZ2 LYS A 4 17.329 -0.933 4.965 1.00 71.51 H new ATOM 0 HZ3 LYS A 4 17.846 -1.650 3.515 1.00 71.51 H new ATOM 60 N LYS A 5 13.626 -7.217 3.513 1.00 3.03 N ATOM 61 CA LYS A 5 12.364 -7.846 3.867 1.00 35.33 C ATOM 62 C LYS A 5 11.504 -6.725 4.473 1.00 15.41 C ATOM 63 O LYS A 5 11.750 -6.284 5.597 1.00 64.20 O ATOM 64 CB LYS A 5 12.609 -9.037 4.850 1.00 23.45 C ATOM 65 CG LYS A 5 11.353 -9.895 5.243 1.00 65.21 C ATOM 66 CD LYS A 5 10.476 -9.276 6.375 1.00 34.23 C ATOM 67 CE LYS A 5 11.294 -9.017 7.656 1.00 4.54 C ATOM 68 NZ LYS A 5 10.529 -8.286 8.685 1.00 23.21 N ATOM 0 H LYS A 5 14.368 -7.373 4.195 1.00 3.03 H new ATOM 0 HA LYS A 5 11.853 -8.286 3.011 1.00 35.33 H new ATOM 0 HB2 LYS A 5 13.349 -9.701 4.403 1.00 23.45 H new ATOM 0 HB3 LYS A 5 13.049 -8.639 5.764 1.00 23.45 H new ATOM 0 HG2 LYS A 5 10.734 -10.037 4.357 1.00 65.21 H new ATOM 0 HG3 LYS A 5 11.688 -10.883 5.559 1.00 65.21 H new ATOM 0 HD2 LYS A 5 10.040 -8.340 6.026 1.00 34.23 H new ATOM 0 HD3 LYS A 5 9.648 -9.948 6.602 1.00 34.23 H new ATOM 0 HE2 LYS A 5 11.629 -9.970 8.067 1.00 4.54 H new ATOM 0 HE3 LYS A 5 12.188 -8.448 7.402 1.00 4.54 H new ATOM 0 HZ1 LYS A 5 10.953 -8.457 9.619 1.00 23.21 H new ATOM 0 HZ2 LYS A 5 10.551 -7.268 8.476 1.00 23.21 H new ATOM 0 HZ3 LYS A 5 9.543 -8.618 8.686 1.00 23.21 H new ATOM 82 N VAL A 6 10.559 -6.224 3.672 1.00 12.12 N ATOM 83 CA VAL A 6 9.627 -5.150 4.056 1.00 53.04 C ATOM 84 C VAL A 6 8.270 -5.779 4.378 1.00 41.22 C ATOM 85 O VAL A 6 7.783 -6.629 3.627 1.00 42.31 O ATOM 86 CB VAL A 6 9.474 -4.060 2.909 1.00 32.14 C ATOM 87 CG1 VAL A 6 9.421 -4.719 1.507 1.00 44.22 C ATOM 88 CG2 VAL A 6 8.227 -3.157 3.126 1.00 23.32 C ATOM 0 H VAL A 6 10.414 -6.558 2.719 1.00 12.12 H new ATOM 0 HA VAL A 6 10.024 -4.635 4.931 1.00 53.04 H new ATOM 0 HB VAL A 6 10.359 -3.426 2.961 1.00 32.14 H new ATOM 0 HG11 VAL A 6 9.316 -3.946 0.745 1.00 44.22 H new ATOM 0 HG12 VAL A 6 10.340 -5.278 1.333 1.00 44.22 H new ATOM 0 HG13 VAL A 6 8.569 -5.397 1.456 1.00 44.22 H new ATOM 0 HG21 VAL A 6 8.162 -2.427 2.319 1.00 23.32 H new ATOM 0 HG22 VAL A 6 7.328 -3.773 3.131 1.00 23.32 H new ATOM 0 HG23 VAL A 6 8.316 -2.637 4.080 1.00 23.32 H new ATOM 98 N GLU A 7 7.657 -5.365 5.489 1.00 51.42 N ATOM 99 CA GLU A 7 6.320 -5.818 5.868 1.00 23.41 C ATOM 100 C GLU A 7 5.352 -4.652 5.658 1.00 4.14 C ATOM 101 O GLU A 7 5.449 -3.599 6.311 1.00 21.02 O ATOM 102 CB GLU A 7 6.283 -6.353 7.313 1.00 63.44 C ATOM 103 CG GLU A 7 7.094 -7.641 7.532 1.00 53.20 C ATOM 104 CD GLU A 7 7.000 -8.181 8.968 1.00 42.11 C ATOM 105 OE1 GLU A 7 5.929 -8.684 9.353 1.00 44.41 O ATOM 106 OE2 GLU A 7 7.993 -8.113 9.716 1.00 71.42 O ATOM 0 H GLU A 7 8.073 -4.708 6.149 1.00 51.42 H new ATOM 0 HA GLU A 7 6.021 -6.658 5.241 1.00 23.41 H new ATOM 0 HB2 GLU A 7 6.661 -5.581 7.984 1.00 63.44 H new ATOM 0 HB3 GLU A 7 5.246 -6.539 7.593 1.00 63.44 H new ATOM 0 HG2 GLU A 7 6.742 -8.406 6.840 1.00 53.20 H new ATOM 0 HG3 GLU A 7 8.140 -7.449 7.291 1.00 53.20 H new ATOM 113 N VAL A 8 4.436 -4.870 4.713 1.00 3.32 N ATOM 114 CA VAL A 8 3.465 -3.886 4.241 1.00 62.31 C ATOM 115 C VAL A 8 2.150 -4.100 5.005 1.00 64.12 C ATOM 116 O VAL A 8 1.467 -5.105 4.793 1.00 15.53 O ATOM 117 CB VAL A 8 3.249 -4.050 2.684 1.00 4.31 C ATOM 118 CG1 VAL A 8 2.162 -3.090 2.140 1.00 34.33 C ATOM 119 CG2 VAL A 8 4.589 -3.861 1.930 1.00 23.54 C ATOM 0 H VAL A 8 4.348 -5.769 4.240 1.00 3.32 H new ATOM 0 HA VAL A 8 3.827 -2.874 4.423 1.00 62.31 H new ATOM 0 HB VAL A 8 2.889 -5.064 2.507 1.00 4.31 H new ATOM 0 HG11 VAL A 8 2.049 -3.239 1.066 1.00 34.33 H new ATOM 0 HG12 VAL A 8 1.214 -3.295 2.637 1.00 34.33 H new ATOM 0 HG13 VAL A 8 2.457 -2.059 2.334 1.00 34.33 H new ATOM 0 HG21 VAL A 8 4.423 -3.977 0.859 1.00 23.54 H new ATOM 0 HG22 VAL A 8 4.982 -2.864 2.131 1.00 23.54 H new ATOM 0 HG23 VAL A 8 5.306 -4.609 2.269 1.00 23.54 H new ATOM 129 N GLN A 9 1.809 -3.164 5.905 1.00 43.22 N ATOM 130 CA GLN A 9 0.623 -3.288 6.760 1.00 71.34 C ATOM 131 C GLN A 9 -0.530 -2.557 6.074 1.00 24.40 C ATOM 132 O GLN A 9 -0.589 -1.328 6.104 1.00 74.15 O ATOM 133 CB GLN A 9 0.876 -2.687 8.171 1.00 52.44 C ATOM 134 CG GLN A 9 2.093 -3.269 8.916 1.00 1.45 C ATOM 135 CD GLN A 9 2.103 -2.901 10.400 1.00 1.34 C ATOM 136 OE1 GLN A 9 2.624 -1.858 10.794 1.00 22.14 O ATOM 137 NE2 GLN A 9 1.532 -3.758 11.241 1.00 32.41 N ATOM 0 H GLN A 9 2.343 -2.309 6.058 1.00 43.22 H new ATOM 0 HA GLN A 9 0.383 -4.342 6.898 1.00 71.34 H new ATOM 0 HB2 GLN A 9 1.010 -1.610 8.072 1.00 52.44 H new ATOM 0 HB3 GLN A 9 -0.014 -2.843 8.781 1.00 52.44 H new ATOM 0 HG2 GLN A 9 2.092 -4.354 8.814 1.00 1.45 H new ATOM 0 HG3 GLN A 9 3.008 -2.906 8.449 1.00 1.45 H new ATOM 0 HE21 GLN A 9 1.108 -4.615 10.886 1.00 32.41 H new ATOM 0 HE22 GLN A 9 1.518 -3.558 12.241 1.00 32.41 H new ATOM 146 N VAL A 10 -1.419 -3.319 5.420 1.00 51.23 N ATOM 147 CA VAL A 10 -2.578 -2.768 4.705 1.00 41.45 C ATOM 148 C VAL A 10 -3.801 -2.825 5.629 1.00 42.15 C ATOM 149 O VAL A 10 -4.367 -3.905 5.872 1.00 0.24 O ATOM 150 CB VAL A 10 -2.856 -3.537 3.356 1.00 24.22 C ATOM 151 CG1 VAL A 10 -4.105 -2.976 2.625 1.00 50.35 C ATOM 152 CG2 VAL A 10 -1.610 -3.497 2.432 1.00 43.14 C ATOM 0 H VAL A 10 -1.354 -4.336 5.372 1.00 51.23 H new ATOM 0 HA VAL A 10 -2.366 -1.733 4.436 1.00 41.45 H new ATOM 0 HB VAL A 10 -3.064 -4.577 3.607 1.00 24.22 H new ATOM 0 HG11 VAL A 10 -4.265 -3.530 1.700 1.00 50.35 H new ATOM 0 HG12 VAL A 10 -4.980 -3.081 3.267 1.00 50.35 H new ATOM 0 HG13 VAL A 10 -3.949 -1.922 2.394 1.00 50.35 H new ATOM 0 HG21 VAL A 10 -1.825 -4.034 1.508 1.00 43.14 H new ATOM 0 HG22 VAL A 10 -1.362 -2.461 2.201 1.00 43.14 H new ATOM 0 HG23 VAL A 10 -0.767 -3.968 2.937 1.00 43.14 H new ATOM 162 N LYS A 11 -4.174 -1.659 6.172 1.00 4.15 N ATOM 163 CA LYS A 11 -5.303 -1.517 7.088 1.00 43.43 C ATOM 164 C LYS A 11 -6.426 -0.784 6.347 1.00 62.33 C ATOM 165 O LYS A 11 -6.368 0.433 6.175 1.00 53.03 O ATOM 166 CB LYS A 11 -4.852 -0.727 8.345 1.00 22.15 C ATOM 167 CG LYS A 11 -5.951 -0.544 9.415 1.00 30.44 C ATOM 168 CD LYS A 11 -5.479 0.268 10.645 1.00 64.22 C ATOM 169 CE LYS A 11 -5.055 1.703 10.284 1.00 73.43 C ATOM 170 NZ LYS A 11 -4.729 2.511 11.483 1.00 63.13 N ATOM 0 H LYS A 11 -3.692 -0.780 5.983 1.00 4.15 H new ATOM 0 HA LYS A 11 -5.665 -2.491 7.417 1.00 43.43 H new ATOM 0 HB2 LYS A 11 -4.004 -1.242 8.797 1.00 22.15 H new ATOM 0 HB3 LYS A 11 -4.499 0.256 8.033 1.00 22.15 H new ATOM 0 HG2 LYS A 11 -6.807 -0.042 8.964 1.00 30.44 H new ATOM 0 HG3 LYS A 11 -6.294 -1.525 9.745 1.00 30.44 H new ATOM 0 HD2 LYS A 11 -6.283 0.305 11.380 1.00 64.22 H new ATOM 0 HD3 LYS A 11 -4.641 -0.247 11.115 1.00 64.22 H new ATOM 0 HE2 LYS A 11 -4.187 1.668 9.625 1.00 73.43 H new ATOM 0 HE3 LYS A 11 -5.858 2.188 9.729 1.00 73.43 H new ATOM 0 HZ1 LYS A 11 -4.449 3.469 11.190 1.00 63.13 H new ATOM 0 HZ2 LYS A 11 -5.564 2.568 12.101 1.00 63.13 H new ATOM 0 HZ3 LYS A 11 -3.945 2.064 12.000 1.00 63.13 H new ATOM 184 N ILE A 12 -7.438 -1.527 5.903 1.00 70.54 N ATOM 185 CA ILE A 12 -8.546 -0.988 5.106 1.00 61.13 C ATOM 186 C ILE A 12 -9.852 -1.014 5.921 1.00 75.52 C ATOM 187 O ILE A 12 -10.292 -2.067 6.390 1.00 1.45 O ATOM 188 CB ILE A 12 -8.697 -1.750 3.727 1.00 54.43 C ATOM 189 CG1 ILE A 12 -9.874 -1.150 2.893 1.00 32.45 C ATOM 190 CG2 ILE A 12 -8.845 -3.282 3.905 1.00 14.03 C ATOM 191 CD1 ILE A 12 -9.988 -1.692 1.484 1.00 11.04 C ATOM 0 H ILE A 12 -7.516 -2.527 6.086 1.00 70.54 H new ATOM 0 HA ILE A 12 -8.320 0.051 4.865 1.00 61.13 H new ATOM 0 HB ILE A 12 -7.772 -1.599 3.171 1.00 54.43 H new ATOM 0 HG12 ILE A 12 -10.809 -1.342 3.419 1.00 32.45 H new ATOM 0 HG13 ILE A 12 -9.752 -0.068 2.843 1.00 32.45 H new ATOM 0 HG21 ILE A 12 -8.945 -3.754 2.928 1.00 14.03 H new ATOM 0 HG22 ILE A 12 -7.963 -3.677 4.410 1.00 14.03 H new ATOM 0 HG23 ILE A 12 -9.731 -3.495 4.503 1.00 14.03 H new ATOM 0 HD11 ILE A 12 -10.831 -1.220 0.980 1.00 11.04 H new ATOM 0 HD12 ILE A 12 -9.071 -1.477 0.936 1.00 11.04 H new ATOM 0 HD13 ILE A 12 -10.144 -2.770 1.520 1.00 11.04 H new ATOM 203 N THR A 13 -10.442 0.176 6.122 1.00 33.34 N ATOM 204 CA THR A 13 -11.684 0.340 6.878 1.00 55.24 C ATOM 205 C THR A 13 -12.870 0.278 5.895 1.00 13.05 C ATOM 206 O THR A 13 -13.061 1.199 5.092 1.00 32.44 O ATOM 207 CB THR A 13 -11.694 1.695 7.660 1.00 31.35 C ATOM 208 OG1 THR A 13 -10.428 1.891 8.312 1.00 62.43 O ATOM 209 CG2 THR A 13 -12.815 1.729 8.715 1.00 12.25 C ATOM 0 H THR A 13 -10.065 1.052 5.761 1.00 33.34 H new ATOM 0 HA THR A 13 -11.766 -0.461 7.613 1.00 55.24 H new ATOM 0 HB THR A 13 -11.873 2.493 6.940 1.00 31.35 H new ATOM 0 HG1 THR A 13 -9.877 2.503 7.780 1.00 62.43 H new ATOM 0 HG21 THR A 13 -12.792 2.684 9.239 1.00 12.25 H new ATOM 0 HG22 THR A 13 -13.781 1.607 8.224 1.00 12.25 H new ATOM 0 HG23 THR A 13 -12.667 0.920 9.430 1.00 12.25 H new ATOM 217 N CYS A 14 -13.634 -0.825 5.947 1.00 40.23 N ATOM 218 CA CYS A 14 -14.746 -1.103 5.015 1.00 41.04 C ATOM 219 C CYS A 14 -16.007 -1.452 5.829 1.00 75.54 C ATOM 220 O CYS A 14 -15.983 -2.373 6.656 1.00 74.43 O ATOM 221 CB CYS A 14 -14.334 -2.252 4.063 1.00 32.30 C ATOM 222 SG CYS A 14 -15.529 -2.772 2.771 1.00 74.33 S ATOM 0 H CYS A 14 -13.498 -1.558 6.643 1.00 40.23 H new ATOM 0 HA CYS A 14 -14.971 -0.228 4.405 1.00 41.04 H new ATOM 0 HB2 CYS A 14 -13.411 -1.957 3.564 1.00 32.30 H new ATOM 0 HB3 CYS A 14 -14.102 -3.125 4.674 1.00 32.30 H new ATOM 227 N ASN A 15 -17.068 -0.620 5.643 1.00 32.42 N ATOM 228 CA ASN A 15 -18.438 -0.801 6.196 1.00 61.33 C ATOM 229 C ASN A 15 -18.530 -0.421 7.694 1.00 4.15 C ATOM 230 O ASN A 15 -19.630 -0.304 8.246 1.00 54.03 O ATOM 231 CB ASN A 15 -18.982 -2.238 5.906 1.00 42.53 C ATOM 232 CG ASN A 15 -20.450 -2.440 6.291 1.00 54.42 C ATOM 233 OD1 ASN A 15 -20.770 -2.961 7.359 1.00 74.34 O ATOM 234 ND2 ASN A 15 -21.353 -1.999 5.440 1.00 50.31 N ATOM 0 H ASN A 15 -16.989 0.228 5.082 1.00 32.42 H new ATOM 0 HA ASN A 15 -19.090 -0.100 5.675 1.00 61.33 H new ATOM 0 HB2 ASN A 15 -18.863 -2.452 4.844 1.00 42.53 H new ATOM 0 HB3 ASN A 15 -18.373 -2.962 6.447 1.00 42.53 H new ATOM 0 HD21 ASN A 15 -22.345 -2.085 5.659 1.00 50.31 H new ATOM 0 HD22 ASN A 15 -21.060 -1.571 4.562 1.00 50.31 H new ATOM 241 N GLY A 16 -17.378 -0.163 8.331 1.00 34.35 N ATOM 242 CA GLY A 16 -17.310 0.104 9.773 1.00 12.55 C ATOM 243 C GLY A 16 -16.362 -0.834 10.495 1.00 44.04 C ATOM 244 O GLY A 16 -16.133 -0.671 11.693 1.00 14.24 O ATOM 0 H GLY A 16 -16.472 -0.134 7.863 1.00 34.35 H new ATOM 0 HA2 GLY A 16 -16.989 1.133 9.934 1.00 12.55 H new ATOM 0 HA3 GLY A 16 -18.307 0.010 10.204 1.00 12.55 H new ATOM 248 N LYS A 17 -15.799 -1.814 9.765 1.00 43.12 N ATOM 249 CA LYS A 17 -14.854 -2.789 10.325 1.00 5.31 C ATOM 250 C LYS A 17 -13.440 -2.468 9.846 1.00 23.04 C ATOM 251 O LYS A 17 -13.245 -2.010 8.709 1.00 70.02 O ATOM 252 CB LYS A 17 -15.232 -4.234 9.911 1.00 35.42 C ATOM 253 CG LYS A 17 -16.562 -4.753 10.503 1.00 71.32 C ATOM 254 CD LYS A 17 -16.881 -6.206 10.054 1.00 74.14 C ATOM 255 CE LYS A 17 -15.799 -7.219 10.474 1.00 70.21 C ATOM 256 NZ LYS A 17 -16.113 -8.600 10.019 1.00 25.23 N ATOM 0 H LYS A 17 -15.988 -1.950 8.772 1.00 43.12 H new ATOM 0 HA LYS A 17 -14.898 -2.723 11.412 1.00 5.31 H new ATOM 0 HB2 LYS A 17 -15.292 -4.281 8.824 1.00 35.42 H new ATOM 0 HB3 LYS A 17 -14.429 -4.905 10.215 1.00 35.42 H new ATOM 0 HG2 LYS A 17 -16.512 -4.714 11.591 1.00 71.32 H new ATOM 0 HG3 LYS A 17 -17.375 -4.094 10.197 1.00 71.32 H new ATOM 0 HD2 LYS A 17 -17.838 -6.509 10.478 1.00 74.14 H new ATOM 0 HD3 LYS A 17 -16.991 -6.229 8.970 1.00 74.14 H new ATOM 0 HE2 LYS A 17 -14.838 -6.913 10.062 1.00 70.21 H new ATOM 0 HE3 LYS A 17 -15.698 -7.210 11.559 1.00 70.21 H new ATOM 0 HZ1 LYS A 17 -15.358 -9.246 10.324 1.00 25.23 H new ATOM 0 HZ2 LYS A 17 -17.017 -8.905 10.432 1.00 25.23 H new ATOM 0 HZ3 LYS A 17 -16.184 -8.616 8.982 1.00 25.23 H new ATOM 270 N THR A 18 -12.465 -2.707 10.721 1.00 1.34 N ATOM 271 CA THR A 18 -11.047 -2.521 10.428 1.00 54.12 C ATOM 272 C THR A 18 -10.458 -3.865 9.962 1.00 0.44 C ATOM 273 O THR A 18 -10.328 -4.805 10.755 1.00 11.20 O ATOM 274 CB THR A 18 -10.300 -2.003 11.697 1.00 75.42 C ATOM 275 OG1 THR A 18 -10.945 -0.808 12.175 1.00 35.31 O ATOM 276 CG2 THR A 18 -8.812 -1.713 11.434 1.00 14.24 C ATOM 0 H THR A 18 -12.642 -3.041 11.668 1.00 1.34 H new ATOM 0 HA THR A 18 -10.925 -1.779 9.639 1.00 54.12 H new ATOM 0 HB THR A 18 -10.347 -2.793 12.447 1.00 75.42 H new ATOM 0 HG1 THR A 18 -10.479 -0.482 12.973 1.00 35.31 H new ATOM 0 HG21 THR A 18 -8.343 -1.356 12.351 1.00 14.24 H new ATOM 0 HG22 THR A 18 -8.316 -2.626 11.105 1.00 14.24 H new ATOM 0 HG23 THR A 18 -8.721 -0.951 10.660 1.00 14.24 H new ATOM 284 N TYR A 19 -10.147 -3.967 8.661 1.00 42.22 N ATOM 285 CA TYR A 19 -9.520 -5.166 8.075 1.00 72.21 C ATOM 286 C TYR A 19 -8.035 -4.874 7.891 1.00 52.44 C ATOM 287 O TYR A 19 -7.649 -4.198 6.937 1.00 74.41 O ATOM 288 CB TYR A 19 -10.156 -5.537 6.708 1.00 25.33 C ATOM 289 CG TYR A 19 -11.674 -5.744 6.744 1.00 75.11 C ATOM 290 CD1 TYR A 19 -12.232 -6.998 7.014 1.00 4.00 C ATOM 291 CD2 TYR A 19 -12.551 -4.683 6.500 1.00 40.33 C ATOM 292 CE1 TYR A 19 -13.605 -7.178 7.032 1.00 41.21 C ATOM 293 CE2 TYR A 19 -13.913 -4.865 6.522 1.00 25.11 C ATOM 294 CZ TYR A 19 -14.438 -6.107 6.784 1.00 23.45 C ATOM 295 OH TYR A 19 -15.809 -6.274 6.805 1.00 32.44 O ATOM 0 H TYR A 19 -10.322 -3.223 7.985 1.00 42.22 H new ATOM 0 HA TYR A 19 -9.674 -6.013 8.743 1.00 72.21 H new ATOM 0 HB2 TYR A 19 -9.927 -4.749 5.990 1.00 25.33 H new ATOM 0 HB3 TYR A 19 -9.687 -6.450 6.340 1.00 25.33 H new ATOM 0 HD1 TYR A 19 -11.583 -7.838 7.211 1.00 4.00 H new ATOM 0 HD2 TYR A 19 -12.151 -3.702 6.290 1.00 40.33 H new ATOM 0 HE1 TYR A 19 -14.022 -8.153 7.239 1.00 41.21 H new ATOM 0 HE2 TYR A 19 -14.572 -4.030 6.333 1.00 25.11 H new ATOM 0 HH TYR A 19 -16.246 -5.418 6.611 1.00 32.44 H new ATOM 305 N GLU A 20 -7.193 -5.378 8.792 1.00 72.42 N ATOM 306 CA GLU A 20 -5.743 -5.137 8.751 1.00 11.02 C ATOM 307 C GLU A 20 -4.967 -6.457 8.702 1.00 65.44 C ATOM 308 O GLU A 20 -5.374 -7.452 9.309 1.00 14.20 O ATOM 309 CB GLU A 20 -5.301 -4.207 9.929 1.00 55.51 C ATOM 310 CG GLU A 20 -5.993 -4.428 11.301 1.00 31.34 C ATOM 311 CD GLU A 20 -5.683 -5.776 11.966 1.00 54.33 C ATOM 312 OE1 GLU A 20 -4.501 -6.031 12.280 1.00 74.43 O ATOM 313 OE2 GLU A 20 -6.610 -6.594 12.163 1.00 75.51 O ATOM 0 H GLU A 20 -7.491 -5.964 9.571 1.00 72.42 H new ATOM 0 HA GLU A 20 -5.501 -4.607 7.830 1.00 11.02 H new ATOM 0 HB2 GLU A 20 -4.227 -4.325 10.069 1.00 55.51 H new ATOM 0 HB3 GLU A 20 -5.471 -3.174 9.627 1.00 55.51 H new ATOM 0 HG2 GLU A 20 -5.693 -3.627 11.977 1.00 31.34 H new ATOM 0 HG3 GLU A 20 -7.071 -4.344 11.166 1.00 31.34 H new ATOM 320 N ARG A 21 -3.879 -6.455 7.919 1.00 42.41 N ATOM 321 CA ARG A 21 -2.974 -7.596 7.789 1.00 5.14 C ATOM 322 C ARG A 21 -1.590 -7.088 7.369 1.00 64.21 C ATOM 323 O ARG A 21 -1.473 -6.214 6.501 1.00 3.01 O ATOM 324 CB ARG A 21 -3.514 -8.636 6.771 1.00 72.21 C ATOM 325 CG ARG A 21 -2.648 -9.918 6.646 1.00 2.50 C ATOM 326 CD ARG A 21 -3.289 -10.983 5.738 1.00 63.41 C ATOM 327 NE ARG A 21 -4.610 -11.415 6.249 1.00 43.24 N ATOM 328 CZ ARG A 21 -5.622 -11.885 5.499 1.00 34.21 C ATOM 329 NH1 ARG A 21 -5.503 -11.995 4.176 1.00 42.51 N ATOM 330 NH2 ARG A 21 -6.745 -12.275 6.081 1.00 41.42 N ATOM 0 H ARG A 21 -3.604 -5.651 7.354 1.00 42.41 H new ATOM 0 HA ARG A 21 -2.901 -8.102 8.752 1.00 5.14 H new ATOM 0 HB2 ARG A 21 -4.525 -8.922 7.063 1.00 72.21 H new ATOM 0 HB3 ARG A 21 -3.587 -8.164 5.791 1.00 72.21 H new ATOM 0 HG2 ARG A 21 -1.668 -9.652 6.251 1.00 2.50 H new ATOM 0 HG3 ARG A 21 -2.488 -10.341 7.638 1.00 2.50 H new ATOM 0 HD2 ARG A 21 -3.402 -10.582 4.731 1.00 63.41 H new ATOM 0 HD3 ARG A 21 -2.627 -11.846 5.666 1.00 63.41 H new ATOM 0 HE ARG A 21 -4.765 -11.351 7.255 1.00 43.24 H new ATOM 0 HH11 ARG A 21 -4.634 -11.721 3.718 1.00 42.51 H new ATOM 0 HH12 ARG A 21 -6.281 -12.354 3.622 1.00 42.51 H new ATOM 0 HH21 ARG A 21 -6.840 -12.218 7.095 1.00 41.42 H new ATOM 0 HH22 ARG A 21 -7.515 -12.632 5.516 1.00 41.42 H new ATOM 344 N THR A 22 -0.561 -7.630 8.020 1.00 42.54 N ATOM 345 CA THR A 22 0.840 -7.327 7.745 1.00 60.12 C ATOM 346 C THR A 22 1.382 -8.388 6.764 1.00 45.13 C ATOM 347 O THR A 22 1.388 -9.583 7.079 1.00 53.41 O ATOM 348 CB THR A 22 1.655 -7.330 9.079 1.00 53.30 C ATOM 349 OG1 THR A 22 1.017 -6.461 10.030 1.00 75.35 O ATOM 350 CG2 THR A 22 3.105 -6.880 8.875 1.00 13.50 C ATOM 0 H THR A 22 -0.684 -8.309 8.772 1.00 42.54 H new ATOM 0 HA THR A 22 0.936 -6.338 7.297 1.00 60.12 H new ATOM 0 HB THR A 22 1.676 -8.355 9.449 1.00 53.30 H new ATOM 0 HG1 THR A 22 1.469 -6.536 10.896 1.00 75.35 H new ATOM 0 HG21 THR A 22 3.630 -6.899 9.830 1.00 13.50 H new ATOM 0 HG22 THR A 22 3.600 -7.554 8.176 1.00 13.50 H new ATOM 0 HG23 THR A 22 3.118 -5.867 8.474 1.00 13.50 H new ATOM 358 N TYR A 23 1.788 -7.940 5.564 1.00 4.25 N ATOM 359 CA TYR A 23 2.267 -8.811 4.475 1.00 10.23 C ATOM 360 C TYR A 23 3.796 -8.822 4.447 1.00 32.54 C ATOM 361 O TYR A 23 4.416 -7.774 4.267 1.00 40.34 O ATOM 362 CB TYR A 23 1.711 -8.309 3.116 1.00 3.33 C ATOM 363 CG TYR A 23 0.173 -8.319 3.046 1.00 71.21 C ATOM 364 CD1 TYR A 23 -0.519 -9.473 2.678 1.00 54.54 C ATOM 365 CD2 TYR A 23 -0.583 -7.191 3.374 1.00 10.02 C ATOM 366 CE1 TYR A 23 -1.901 -9.497 2.629 1.00 22.03 C ATOM 367 CE2 TYR A 23 -1.965 -7.217 3.332 1.00 12.13 C ATOM 368 CZ TYR A 23 -2.619 -8.371 2.957 1.00 54.33 C ATOM 369 OH TYR A 23 -3.997 -8.400 2.923 1.00 2.40 O ATOM 0 H TYR A 23 1.793 -6.950 5.319 1.00 4.25 H new ATOM 0 HA TYR A 23 1.912 -9.827 4.649 1.00 10.23 H new ATOM 0 HB2 TYR A 23 2.069 -7.295 2.937 1.00 3.33 H new ATOM 0 HB3 TYR A 23 2.108 -8.934 2.316 1.00 3.33 H new ATOM 0 HD1 TYR A 23 0.035 -10.365 2.426 1.00 54.54 H new ATOM 0 HD2 TYR A 23 -0.079 -6.282 3.666 1.00 10.02 H new ATOM 0 HE1 TYR A 23 -2.416 -10.399 2.333 1.00 22.03 H new ATOM 0 HE2 TYR A 23 -2.531 -6.335 3.593 1.00 12.13 H new ATOM 0 HH TYR A 23 -4.340 -8.676 3.799 1.00 2.40 H new ATOM 379 N GLN A 24 4.400 -10.012 4.613 1.00 44.20 N ATOM 380 CA GLN A 24 5.864 -10.160 4.565 1.00 72.43 C ATOM 381 C GLN A 24 6.287 -10.277 3.091 1.00 55.03 C ATOM 382 O GLN A 24 5.999 -11.285 2.432 1.00 24.25 O ATOM 383 CB GLN A 24 6.370 -11.398 5.374 1.00 25.14 C ATOM 384 CG GLN A 24 6.202 -11.321 6.909 1.00 73.30 C ATOM 385 CD GLN A 24 4.739 -11.326 7.380 1.00 34.34 C ATOM 386 OE1 GLN A 24 4.141 -12.379 7.586 1.00 35.33 O ATOM 387 NE2 GLN A 24 4.169 -10.157 7.606 1.00 21.24 N ATOM 0 H GLN A 24 3.897 -10.883 4.781 1.00 44.20 H new ATOM 0 HA GLN A 24 6.315 -9.284 5.031 1.00 72.43 H new ATOM 0 HB2 GLN A 24 5.843 -12.282 5.015 1.00 25.14 H new ATOM 0 HB3 GLN A 24 7.427 -11.545 5.151 1.00 25.14 H new ATOM 0 HG2 GLN A 24 6.722 -12.164 7.364 1.00 73.30 H new ATOM 0 HG3 GLN A 24 6.686 -10.415 7.272 1.00 73.30 H new ATOM 0 HE21 GLN A 24 4.685 -9.295 7.428 1.00 21.24 H new ATOM 0 HE22 GLN A 24 3.213 -10.116 7.959 1.00 21.24 H new ATOM 396 N LEU A 25 6.939 -9.229 2.579 1.00 71.41 N ATOM 397 CA LEU A 25 7.428 -9.160 1.189 1.00 55.33 C ATOM 398 C LEU A 25 8.948 -8.991 1.201 1.00 72.25 C ATOM 399 O LEU A 25 9.502 -8.395 2.124 1.00 34.03 O ATOM 400 CB LEU A 25 6.748 -7.978 0.429 1.00 3.22 C ATOM 401 CG LEU A 25 5.191 -8.065 0.283 1.00 11.34 C ATOM 402 CD1 LEU A 25 4.621 -6.825 -0.437 1.00 73.43 C ATOM 403 CD2 LEU A 25 4.763 -9.368 -0.436 1.00 75.34 C ATOM 0 H LEU A 25 7.147 -8.391 3.122 1.00 71.41 H new ATOM 0 HA LEU A 25 7.173 -10.083 0.668 1.00 55.33 H new ATOM 0 HB2 LEU A 25 6.994 -7.050 0.945 1.00 3.22 H new ATOM 0 HB3 LEU A 25 7.184 -7.913 -0.568 1.00 3.22 H new ATOM 0 HG LEU A 25 4.773 -8.086 1.289 1.00 11.34 H new ATOM 0 HD11 LEU A 25 3.538 -6.919 -0.521 1.00 73.43 H new ATOM 0 HD12 LEU A 25 4.864 -5.929 0.134 1.00 73.43 H new ATOM 0 HD13 LEU A 25 5.057 -6.750 -1.433 1.00 73.43 H new ATOM 0 HD21 LEU A 25 3.677 -9.397 -0.521 1.00 75.34 H new ATOM 0 HD22 LEU A 25 5.206 -9.396 -1.432 1.00 75.34 H new ATOM 0 HD23 LEU A 25 5.105 -10.229 0.138 1.00 75.34 H new ATOM 415 N TYR A 26 9.617 -9.536 0.183 1.00 71.33 N ATOM 416 CA TYR A 26 11.060 -9.363 -0.018 1.00 11.41 C ATOM 417 C TYR A 26 11.311 -9.085 -1.498 1.00 53.35 C ATOM 418 O TYR A 26 10.689 -9.708 -2.362 1.00 40.03 O ATOM 419 CB TYR A 26 11.857 -10.620 0.436 1.00 61.52 C ATOM 420 CG TYR A 26 13.388 -10.448 0.373 1.00 33.12 C ATOM 421 CD1 TYR A 26 14.122 -10.721 -0.795 1.00 42.21 C ATOM 422 CD2 TYR A 26 14.102 -9.980 1.478 1.00 25.24 C ATOM 423 CE1 TYR A 26 15.493 -10.539 -0.842 1.00 72.30 C ATOM 424 CE2 TYR A 26 15.470 -9.798 1.432 1.00 23.14 C ATOM 425 CZ TYR A 26 16.160 -10.075 0.275 1.00 63.14 C ATOM 426 OH TYR A 26 17.528 -9.897 0.235 1.00 62.45 O ATOM 0 H TYR A 26 9.172 -10.113 -0.530 1.00 71.33 H new ATOM 0 HA TYR A 26 11.405 -8.527 0.590 1.00 11.41 H new ATOM 0 HB2 TYR A 26 11.571 -10.869 1.458 1.00 61.52 H new ATOM 0 HB3 TYR A 26 11.570 -11.465 -0.190 1.00 61.52 H new ATOM 0 HD1 TYR A 26 13.605 -11.080 -1.673 1.00 42.21 H new ATOM 0 HD2 TYR A 26 13.571 -9.755 2.391 1.00 25.24 H new ATOM 0 HE1 TYR A 26 16.039 -10.759 -1.748 1.00 72.30 H new ATOM 0 HE2 TYR A 26 15.997 -9.439 2.303 1.00 23.14 H new ATOM 0 HH TYR A 26 17.840 -9.564 1.102 1.00 62.45 H new ATOM 436 N ALA A 27 12.236 -8.160 -1.772 1.00 10.23 N ATOM 437 CA ALA A 27 12.687 -7.839 -3.128 1.00 73.34 C ATOM 438 C ALA A 27 14.004 -7.086 -3.056 1.00 50.05 C ATOM 439 O ALA A 27 14.255 -6.380 -2.072 1.00 22.32 O ATOM 440 CB ALA A 27 11.645 -7.002 -3.864 1.00 13.42 C ATOM 0 H ALA A 27 12.697 -7.607 -1.050 1.00 10.23 H new ATOM 0 HA ALA A 27 12.826 -8.768 -3.681 1.00 73.34 H new ATOM 0 HB1 ALA A 27 12.003 -6.776 -4.869 1.00 13.42 H new ATOM 0 HB2 ALA A 27 10.710 -7.559 -3.928 1.00 13.42 H new ATOM 0 HB3 ALA A 27 11.476 -6.072 -3.322 1.00 13.42 H new ATOM 446 N VAL A 28 14.826 -7.224 -4.113 1.00 15.34 N ATOM 447 CA VAL A 28 16.089 -6.488 -4.246 1.00 23.31 C ATOM 448 C VAL A 28 15.772 -5.035 -4.647 1.00 22.23 C ATOM 449 O VAL A 28 15.865 -4.119 -3.825 1.00 72.53 O ATOM 450 CB VAL A 28 17.065 -7.158 -5.292 1.00 12.04 C ATOM 451 CG1 VAL A 28 18.429 -6.418 -5.337 1.00 41.11 C ATOM 452 CG2 VAL A 28 17.252 -8.668 -4.997 1.00 24.32 C ATOM 0 H VAL A 28 14.630 -7.849 -4.895 1.00 15.34 H new ATOM 0 HA VAL A 28 16.606 -6.509 -3.287 1.00 23.31 H new ATOM 0 HB VAL A 28 16.608 -7.070 -6.278 1.00 12.04 H new ATOM 0 HG11 VAL A 28 19.081 -6.901 -6.065 1.00 41.11 H new ATOM 0 HG12 VAL A 28 18.270 -5.379 -5.625 1.00 41.11 H new ATOM 0 HG13 VAL A 28 18.895 -6.454 -4.352 1.00 41.11 H new ATOM 0 HG21 VAL A 28 17.929 -9.102 -5.733 1.00 24.32 H new ATOM 0 HG22 VAL A 28 17.672 -8.794 -3.999 1.00 24.32 H new ATOM 0 HG23 VAL A 28 16.287 -9.171 -5.051 1.00 24.32 H new ATOM 462 N ARG A 29 15.323 -4.842 -5.898 1.00 12.32 N ATOM 463 CA ARG A 29 14.992 -3.507 -6.416 1.00 1.54 C ATOM 464 C ARG A 29 13.580 -3.083 -5.982 1.00 25.13 C ATOM 465 O ARG A 29 12.722 -3.919 -5.681 1.00 11.12 O ATOM 466 CB ARG A 29 15.130 -3.460 -7.962 1.00 33.32 C ATOM 467 CG ARG A 29 16.559 -3.745 -8.473 1.00 31.04 C ATOM 468 CD ARG A 29 16.709 -3.508 -9.986 1.00 63.11 C ATOM 469 NE ARG A 29 16.350 -2.124 -10.372 1.00 73.54 N ATOM 470 CZ ARG A 29 17.217 -1.145 -10.688 1.00 71.43 C ATOM 471 NH1 ARG A 29 18.528 -1.359 -10.677 1.00 15.02 N ATOM 472 NH2 ARG A 29 16.759 0.055 -11.003 1.00 40.11 N ATOM 0 H ARG A 29 15.181 -5.596 -6.570 1.00 12.32 H new ATOM 0 HA ARG A 29 15.703 -2.799 -5.992 1.00 1.54 H new ATOM 0 HB2 ARG A 29 14.447 -4.187 -8.400 1.00 33.32 H new ATOM 0 HB3 ARG A 29 14.818 -2.477 -8.315 1.00 33.32 H new ATOM 0 HG2 ARG A 29 17.265 -3.109 -7.938 1.00 31.04 H new ATOM 0 HG3 ARG A 29 16.823 -4.777 -8.244 1.00 31.04 H new ATOM 0 HD2 ARG A 29 17.737 -3.712 -10.284 1.00 63.11 H new ATOM 0 HD3 ARG A 29 16.075 -4.211 -10.527 1.00 63.11 H new ATOM 0 HE ARG A 29 15.357 -1.892 -10.401 1.00 73.54 H new ATOM 0 HH11 ARG A 29 18.893 -2.278 -10.426 1.00 15.02 H new ATOM 0 HH12 ARG A 29 19.170 -0.604 -10.920 1.00 15.02 H new ATOM 0 HH21 ARG A 29 15.755 0.233 -11.005 1.00 40.11 H new ATOM 0 HH22 ARG A 29 17.410 0.802 -11.244 1.00 40.11 H new ATOM 486 N ASP A 30 13.376 -1.765 -5.940 1.00 70.14 N ATOM 487 CA ASP A 30 12.073 -1.144 -5.636 1.00 3.43 C ATOM 488 C ASP A 30 11.063 -1.394 -6.776 1.00 52.10 C ATOM 489 O ASP A 30 9.853 -1.470 -6.531 1.00 31.04 O ATOM 490 CB ASP A 30 12.259 0.376 -5.350 1.00 43.23 C ATOM 491 CG ASP A 30 13.087 1.109 -6.424 1.00 64.24 C ATOM 492 OD1 ASP A 30 14.337 1.043 -6.358 1.00 5.41 O ATOM 493 OD2 ASP A 30 12.512 1.727 -7.347 1.00 54.05 O ATOM 0 H ASP A 30 14.116 -1.086 -6.117 1.00 70.14 H new ATOM 0 HA ASP A 30 11.662 -1.607 -4.739 1.00 3.43 H new ATOM 0 HB2 ASP A 30 11.278 0.846 -5.276 1.00 43.23 H new ATOM 0 HB3 ASP A 30 12.745 0.498 -4.382 1.00 43.23 H new ATOM 498 N GLU A 31 11.586 -1.547 -8.019 1.00 62.33 N ATOM 499 CA GLU A 31 10.789 -1.966 -9.197 1.00 52.03 C ATOM 500 C GLU A 31 10.121 -3.337 -8.973 1.00 11.53 C ATOM 501 O GLU A 31 8.997 -3.571 -9.416 1.00 42.52 O ATOM 502 CB GLU A 31 11.676 -2.025 -10.470 1.00 73.53 C ATOM 503 CG GLU A 31 12.138 -0.655 -10.994 1.00 20.24 C ATOM 504 CD GLU A 31 10.969 0.274 -11.372 1.00 73.44 C ATOM 505 OE1 GLU A 31 10.244 -0.032 -12.348 1.00 20.51 O ATOM 506 OE2 GLU A 31 10.767 1.313 -10.708 1.00 52.44 O ATOM 0 H GLU A 31 12.570 -1.383 -8.231 1.00 62.33 H new ATOM 0 HA GLU A 31 10.007 -1.219 -9.336 1.00 52.03 H new ATOM 0 HB2 GLU A 31 12.555 -2.633 -10.256 1.00 73.53 H new ATOM 0 HB3 GLU A 31 11.122 -2.533 -11.259 1.00 73.53 H new ATOM 0 HG2 GLU A 31 12.749 -0.169 -10.233 1.00 20.24 H new ATOM 0 HG3 GLU A 31 12.774 -0.802 -11.867 1.00 20.24 H new ATOM 513 N GLU A 32 10.836 -4.227 -8.270 1.00 45.01 N ATOM 514 CA GLU A 32 10.372 -5.588 -7.965 1.00 34.15 C ATOM 515 C GLU A 32 9.170 -5.554 -6.992 1.00 70.20 C ATOM 516 O GLU A 32 8.273 -6.387 -7.079 1.00 74.32 O ATOM 517 CB GLU A 32 11.536 -6.382 -7.337 1.00 3.11 C ATOM 518 CG GLU A 32 12.822 -6.446 -8.181 1.00 54.52 C ATOM 519 CD GLU A 32 12.706 -7.346 -9.417 1.00 24.12 C ATOM 520 OE1 GLU A 32 13.002 -8.555 -9.306 1.00 64.31 O ATOM 521 OE2 GLU A 32 12.338 -6.851 -10.505 1.00 41.21 O ATOM 0 H GLU A 32 11.761 -4.020 -7.894 1.00 45.01 H new ATOM 0 HA GLU A 32 10.046 -6.070 -8.887 1.00 34.15 H new ATOM 0 HB2 GLU A 32 11.777 -5.938 -6.371 1.00 3.11 H new ATOM 0 HB3 GLU A 32 11.197 -7.400 -7.144 1.00 3.11 H new ATOM 0 HG2 GLU A 32 13.087 -5.438 -8.500 1.00 54.52 H new ATOM 0 HG3 GLU A 32 13.639 -6.807 -7.556 1.00 54.52 H new ATOM 528 N LEU A 33 9.179 -4.563 -6.072 1.00 43.41 N ATOM 529 CA LEU A 33 8.142 -4.405 -5.032 1.00 65.44 C ATOM 530 C LEU A 33 6.818 -3.885 -5.647 1.00 42.42 C ATOM 531 O LEU A 33 5.752 -4.133 -5.094 1.00 15.42 O ATOM 532 CB LEU A 33 8.645 -3.459 -3.876 1.00 23.40 C ATOM 533 CG LEU A 33 8.410 -3.965 -2.396 1.00 35.44 C ATOM 534 CD1 LEU A 33 6.919 -4.163 -2.055 1.00 70.55 C ATOM 535 CD2 LEU A 33 9.201 -5.263 -2.118 1.00 13.30 C ATOM 0 H LEU A 33 9.907 -3.850 -6.031 1.00 43.41 H new ATOM 0 HA LEU A 33 7.945 -5.385 -4.597 1.00 65.44 H new ATOM 0 HB2 LEU A 33 9.713 -3.291 -4.013 1.00 23.40 H new ATOM 0 HB3 LEU A 33 8.153 -2.493 -3.988 1.00 23.40 H new ATOM 0 HG LEU A 33 8.783 -3.175 -1.744 1.00 35.44 H new ATOM 0 HD11 LEU A 33 6.824 -4.511 -1.026 1.00 70.55 H new ATOM 0 HD12 LEU A 33 6.391 -3.216 -2.168 1.00 70.55 H new ATOM 0 HD13 LEU A 33 6.487 -4.902 -2.729 1.00 70.55 H new ATOM 0 HD21 LEU A 33 9.020 -5.587 -1.093 1.00 13.30 H new ATOM 0 HD22 LEU A 33 8.876 -6.042 -2.808 1.00 13.30 H new ATOM 0 HD23 LEU A 33 10.266 -5.077 -2.257 1.00 13.30 H new ATOM 547 N LYS A 34 6.914 -3.178 -6.801 1.00 65.31 N ATOM 548 CA LYS A 34 5.747 -2.588 -7.508 1.00 60.51 C ATOM 549 C LYS A 34 4.652 -3.633 -7.800 1.00 33.41 C ATOM 550 O LYS A 34 3.527 -3.486 -7.326 1.00 61.22 O ATOM 551 CB LYS A 34 6.201 -1.914 -8.832 1.00 11.50 C ATOM 552 CG LYS A 34 7.002 -0.610 -8.644 1.00 42.22 C ATOM 553 CD LYS A 34 7.639 -0.106 -9.954 1.00 34.13 C ATOM 554 CE LYS A 34 6.627 0.189 -11.072 1.00 50.43 C ATOM 555 NZ LYS A 34 7.314 0.495 -12.355 1.00 1.00 N ATOM 0 H LYS A 34 7.803 -3.000 -7.269 1.00 65.31 H new ATOM 0 HA LYS A 34 5.317 -1.837 -6.845 1.00 60.51 H new ATOM 0 HB2 LYS A 34 6.810 -2.622 -9.395 1.00 11.50 H new ATOM 0 HB3 LYS A 34 5.320 -1.700 -9.437 1.00 11.50 H new ATOM 0 HG2 LYS A 34 6.343 0.161 -8.245 1.00 42.22 H new ATOM 0 HG3 LYS A 34 7.785 -0.774 -7.904 1.00 42.22 H new ATOM 0 HD2 LYS A 34 8.206 0.801 -9.744 1.00 34.13 H new ATOM 0 HD3 LYS A 34 8.350 -0.852 -10.310 1.00 34.13 H new ATOM 0 HE2 LYS A 34 5.968 -0.669 -11.205 1.00 50.43 H new ATOM 0 HE3 LYS A 34 5.998 1.031 -10.784 1.00 50.43 H new ATOM 0 HZ1 LYS A 34 7.207 1.506 -12.573 1.00 1.00 H new ATOM 0 HZ2 LYS A 34 8.324 0.264 -12.272 1.00 1.00 H new ATOM 0 HZ3 LYS A 34 6.891 -0.071 -13.119 1.00 1.00 H new ATOM 569 N GLU A 35 5.020 -4.685 -8.569 1.00 30.03 N ATOM 570 CA GLU A 35 4.096 -5.768 -8.969 1.00 1.44 C ATOM 571 C GLU A 35 3.467 -6.470 -7.745 1.00 14.35 C ATOM 572 O GLU A 35 2.310 -6.896 -7.792 1.00 63.44 O ATOM 573 CB GLU A 35 4.833 -6.803 -9.864 1.00 52.12 C ATOM 574 CG GLU A 35 6.015 -7.531 -9.186 1.00 1.21 C ATOM 575 CD GLU A 35 6.691 -8.559 -10.109 1.00 1.13 C ATOM 576 OE1 GLU A 35 6.273 -9.738 -10.123 1.00 54.33 O ATOM 577 OE2 GLU A 35 7.634 -8.190 -10.835 1.00 11.20 O ATOM 0 H GLU A 35 5.967 -4.805 -8.929 1.00 30.03 H new ATOM 0 HA GLU A 35 3.286 -5.314 -9.539 1.00 1.44 H new ATOM 0 HB2 GLU A 35 4.112 -7.548 -10.200 1.00 52.12 H new ATOM 0 HB3 GLU A 35 5.203 -6.293 -10.754 1.00 52.12 H new ATOM 0 HG2 GLU A 35 6.753 -6.796 -8.867 1.00 1.21 H new ATOM 0 HG3 GLU A 35 5.658 -8.035 -8.288 1.00 1.21 H new ATOM 584 N LYS A 36 4.251 -6.559 -6.652 1.00 35.34 N ATOM 585 CA LYS A 36 3.826 -7.202 -5.402 1.00 34.24 C ATOM 586 C LYS A 36 2.730 -6.368 -4.733 1.00 24.11 C ATOM 587 O LYS A 36 1.724 -6.908 -4.307 1.00 54.34 O ATOM 588 CB LYS A 36 5.030 -7.386 -4.445 1.00 32.55 C ATOM 589 CG LYS A 36 6.209 -8.143 -5.084 1.00 3.04 C ATOM 590 CD LYS A 36 7.401 -8.334 -4.118 1.00 44.43 C ATOM 591 CE LYS A 36 8.616 -8.968 -4.815 1.00 74.53 C ATOM 592 NZ LYS A 36 8.293 -10.275 -5.444 1.00 33.31 N ATOM 0 H LYS A 36 5.199 -6.184 -6.616 1.00 35.34 H new ATOM 0 HA LYS A 36 3.425 -8.189 -5.635 1.00 34.24 H new ATOM 0 HB2 LYS A 36 5.374 -6.406 -4.113 1.00 32.55 H new ATOM 0 HB3 LYS A 36 4.700 -7.925 -3.557 1.00 32.55 H new ATOM 0 HG2 LYS A 36 5.865 -9.120 -5.424 1.00 3.04 H new ATOM 0 HG3 LYS A 36 6.547 -7.599 -5.966 1.00 3.04 H new ATOM 0 HD2 LYS A 36 7.687 -7.369 -3.700 1.00 44.43 H new ATOM 0 HD3 LYS A 36 7.093 -8.964 -3.283 1.00 44.43 H new ATOM 0 HE2 LYS A 36 8.991 -8.285 -5.577 1.00 74.53 H new ATOM 0 HE3 LYS A 36 9.417 -9.106 -4.088 1.00 74.53 H new ATOM 0 HZ1 LYS A 36 9.162 -10.700 -5.826 1.00 33.31 H new ATOM 0 HZ2 LYS A 36 7.881 -10.911 -4.732 1.00 33.31 H new ATOM 0 HZ3 LYS A 36 7.610 -10.130 -6.215 1.00 33.31 H new ATOM 606 N LEU A 37 2.948 -5.035 -4.689 1.00 61.12 N ATOM 607 CA LEU A 37 1.991 -4.065 -4.119 1.00 20.22 C ATOM 608 C LEU A 37 0.693 -4.016 -4.929 1.00 10.25 C ATOM 609 O LEU A 37 -0.384 -3.865 -4.348 1.00 62.12 O ATOM 610 CB LEU A 37 2.630 -2.658 -4.050 1.00 62.32 C ATOM 611 CG LEU A 37 3.809 -2.522 -3.049 1.00 64.32 C ATOM 612 CD1 LEU A 37 4.539 -1.188 -3.235 1.00 54.33 C ATOM 613 CD2 LEU A 37 3.327 -2.703 -1.591 1.00 40.40 C ATOM 0 H LEU A 37 3.798 -4.601 -5.050 1.00 61.12 H new ATOM 0 HA LEU A 37 1.744 -4.395 -3.110 1.00 20.22 H new ATOM 0 HB2 LEU A 37 2.984 -2.387 -5.045 1.00 62.32 H new ATOM 0 HB3 LEU A 37 1.858 -1.938 -3.779 1.00 62.32 H new ATOM 0 HG LEU A 37 4.521 -3.320 -3.261 1.00 64.32 H new ATOM 0 HD11 LEU A 37 5.360 -1.120 -2.521 1.00 54.33 H new ATOM 0 HD12 LEU A 37 4.934 -1.128 -4.249 1.00 54.33 H new ATOM 0 HD13 LEU A 37 3.843 -0.366 -3.067 1.00 54.33 H new ATOM 0 HD21 LEU A 37 4.174 -2.603 -0.913 1.00 40.40 H new ATOM 0 HD22 LEU A 37 2.582 -1.942 -1.357 1.00 40.40 H new ATOM 0 HD23 LEU A 37 2.884 -3.692 -1.474 1.00 40.40 H new ATOM 625 N LYS A 38 0.803 -4.145 -6.275 1.00 33.31 N ATOM 626 CA LYS A 38 -0.364 -4.177 -7.170 1.00 11.32 C ATOM 627 C LYS A 38 -1.227 -5.407 -6.868 1.00 71.35 C ATOM 628 O LYS A 38 -2.441 -5.296 -6.789 1.00 23.33 O ATOM 629 CB LYS A 38 0.080 -4.153 -8.660 1.00 31.30 C ATOM 630 CG LYS A 38 0.828 -2.863 -9.061 1.00 11.12 C ATOM 631 CD LYS A 38 1.230 -2.820 -10.554 1.00 33.30 C ATOM 632 CE LYS A 38 0.023 -2.802 -11.514 1.00 14.21 C ATOM 633 NZ LYS A 38 0.442 -2.646 -12.933 1.00 71.13 N ATOM 0 H LYS A 38 1.697 -4.228 -6.759 1.00 33.31 H new ATOM 0 HA LYS A 38 -0.965 -3.285 -6.992 1.00 11.32 H new ATOM 0 HB2 LYS A 38 0.724 -5.011 -8.853 1.00 31.30 H new ATOM 0 HB3 LYS A 38 -0.799 -4.265 -9.294 1.00 31.30 H new ATOM 0 HG2 LYS A 38 0.197 -2.003 -8.838 1.00 11.12 H new ATOM 0 HG3 LYS A 38 1.725 -2.768 -8.449 1.00 11.12 H new ATOM 0 HD2 LYS A 38 1.840 -1.935 -10.733 1.00 33.30 H new ATOM 0 HD3 LYS A 38 1.852 -3.686 -10.780 1.00 33.30 H new ATOM 0 HE2 LYS A 38 -0.543 -3.727 -11.403 1.00 14.21 H new ATOM 0 HE3 LYS A 38 -0.645 -1.985 -11.241 1.00 14.21 H new ATOM 0 HZ1 LYS A 38 -0.391 -2.724 -13.551 1.00 71.13 H new ATOM 0 HZ2 LYS A 38 0.885 -1.714 -13.064 1.00 71.13 H new ATOM 0 HZ3 LYS A 38 1.125 -3.391 -13.177 1.00 71.13 H new ATOM 647 N LYS A 39 -0.570 -6.571 -6.665 1.00 61.11 N ATOM 648 CA LYS A 39 -1.264 -7.822 -6.300 1.00 54.35 C ATOM 649 C LYS A 39 -1.890 -7.735 -4.893 1.00 62.12 C ATOM 650 O LYS A 39 -3.056 -8.072 -4.729 1.00 72.11 O ATOM 651 CB LYS A 39 -0.316 -9.053 -6.408 1.00 71.13 C ATOM 652 CG LYS A 39 0.046 -9.450 -7.859 1.00 22.31 C ATOM 653 CD LYS A 39 -1.204 -9.769 -8.730 1.00 14.53 C ATOM 654 CE LYS A 39 -0.846 -10.193 -10.167 1.00 30.21 C ATOM 655 NZ LYS A 39 -2.059 -10.358 -11.013 1.00 14.30 N ATOM 0 H LYS A 39 0.442 -6.668 -6.749 1.00 61.11 H new ATOM 0 HA LYS A 39 -2.074 -7.958 -7.017 1.00 54.35 H new ATOM 0 HB2 LYS A 39 0.603 -8.839 -5.862 1.00 71.13 H new ATOM 0 HB3 LYS A 39 -0.787 -9.904 -5.917 1.00 71.13 H new ATOM 0 HG2 LYS A 39 0.608 -8.639 -8.323 1.00 22.31 H new ATOM 0 HG3 LYS A 39 0.701 -10.321 -7.839 1.00 22.31 H new ATOM 0 HD2 LYS A 39 -1.777 -10.565 -8.255 1.00 14.53 H new ATOM 0 HD3 LYS A 39 -1.848 -8.890 -8.766 1.00 14.53 H new ATOM 0 HE2 LYS A 39 -0.190 -9.446 -10.614 1.00 30.21 H new ATOM 0 HE3 LYS A 39 -0.290 -11.130 -10.142 1.00 30.21 H new ATOM 0 HZ1 LYS A 39 -1.777 -10.644 -11.972 1.00 14.30 H new ATOM 0 HZ2 LYS A 39 -2.673 -11.089 -10.601 1.00 14.30 H new ATOM 0 HZ3 LYS A 39 -2.576 -9.457 -11.058 1.00 14.30 H new ATOM 669 N VAL A 40 -1.108 -7.263 -3.897 1.00 23.23 N ATOM 670 CA VAL A 40 -1.555 -7.149 -2.487 1.00 12.15 C ATOM 671 C VAL A 40 -2.808 -6.259 -2.382 1.00 64.01 C ATOM 672 O VAL A 40 -3.755 -6.607 -1.671 1.00 43.31 O ATOM 673 CB VAL A 40 -0.398 -6.607 -1.541 1.00 21.44 C ATOM 674 CG1 VAL A 40 -0.915 -6.248 -0.129 1.00 25.10 C ATOM 675 CG2 VAL A 40 0.761 -7.635 -1.435 1.00 62.34 C ATOM 0 H VAL A 40 -0.149 -6.950 -4.046 1.00 23.23 H new ATOM 0 HA VAL A 40 -1.812 -8.152 -2.145 1.00 12.15 H new ATOM 0 HB VAL A 40 -0.023 -5.692 -2.000 1.00 21.44 H new ATOM 0 HG11 VAL A 40 -0.088 -5.883 0.479 1.00 25.10 H new ATOM 0 HG12 VAL A 40 -1.678 -5.473 -0.207 1.00 25.10 H new ATOM 0 HG13 VAL A 40 -1.345 -7.135 0.337 1.00 25.10 H new ATOM 0 HG21 VAL A 40 1.539 -7.240 -0.782 1.00 62.34 H new ATOM 0 HG22 VAL A 40 0.382 -8.570 -1.022 1.00 62.34 H new ATOM 0 HG23 VAL A 40 1.177 -7.818 -2.426 1.00 62.34 H new ATOM 685 N LEU A 41 -2.811 -5.145 -3.135 1.00 24.30 N ATOM 686 CA LEU A 41 -3.940 -4.204 -3.164 1.00 31.05 C ATOM 687 C LEU A 41 -5.145 -4.794 -3.921 1.00 75.00 C ATOM 688 O LEU A 41 -6.231 -4.809 -3.372 1.00 53.11 O ATOM 689 CB LEU A 41 -3.512 -2.835 -3.755 1.00 33.04 C ATOM 690 CG LEU A 41 -2.614 -1.962 -2.819 1.00 63.04 C ATOM 691 CD1 LEU A 41 -2.101 -0.712 -3.548 1.00 13.15 C ATOM 692 CD2 LEU A 41 -3.369 -1.581 -1.519 1.00 32.22 C ATOM 0 H LEU A 41 -2.034 -4.874 -3.737 1.00 24.30 H new ATOM 0 HA LEU A 41 -4.256 -4.034 -2.135 1.00 31.05 H new ATOM 0 HB2 LEU A 41 -2.976 -3.011 -4.687 1.00 33.04 H new ATOM 0 HB3 LEU A 41 -4.409 -2.268 -4.005 1.00 33.04 H new ATOM 0 HG LEU A 41 -1.747 -2.560 -2.538 1.00 63.04 H new ATOM 0 HD11 LEU A 41 -1.480 -0.125 -2.871 1.00 13.15 H new ATOM 0 HD12 LEU A 41 -1.511 -1.012 -4.414 1.00 13.15 H new ATOM 0 HD13 LEU A 41 -2.948 -0.110 -3.877 1.00 13.15 H new ATOM 0 HD21 LEU A 41 -2.721 -0.974 -0.887 1.00 32.22 H new ATOM 0 HD22 LEU A 41 -4.265 -1.013 -1.771 1.00 32.22 H new ATOM 0 HD23 LEU A 41 -3.653 -2.487 -0.984 1.00 32.22 H new ATOM 704 N ASN A 42 -4.937 -5.306 -5.158 1.00 5.12 N ATOM 705 CA ASN A 42 -6.035 -5.885 -5.993 1.00 42.15 C ATOM 706 C ASN A 42 -6.788 -7.009 -5.258 1.00 62.04 C ATOM 707 O ASN A 42 -8.021 -6.984 -5.171 1.00 21.50 O ATOM 708 CB ASN A 42 -5.501 -6.403 -7.366 1.00 20.04 C ATOM 709 CG ASN A 42 -5.109 -5.279 -8.324 1.00 10.21 C ATOM 710 OD1 ASN A 42 -5.668 -4.182 -8.288 1.00 64.51 O ATOM 711 ND2 ASN A 42 -4.160 -5.554 -9.206 1.00 40.21 N ATOM 0 H ASN A 42 -4.021 -5.333 -5.606 1.00 5.12 H new ATOM 0 HA ASN A 42 -6.740 -5.075 -6.181 1.00 42.15 H new ATOM 0 HB2 ASN A 42 -4.635 -7.043 -7.194 1.00 20.04 H new ATOM 0 HB3 ASN A 42 -6.266 -7.021 -7.836 1.00 20.04 H new ATOM 0 HD21 ASN A 42 -3.872 -4.847 -9.882 1.00 40.21 H new ATOM 0 HD22 ASN A 42 -3.717 -6.473 -9.209 1.00 40.21 H new ATOM 718 N GLU A 43 -6.023 -7.969 -4.709 1.00 3.10 N ATOM 719 CA GLU A 43 -6.579 -9.102 -3.950 1.00 11.11 C ATOM 720 C GLU A 43 -7.306 -8.610 -2.687 1.00 11.44 C ATOM 721 O GLU A 43 -8.308 -9.198 -2.276 1.00 52.33 O ATOM 722 CB GLU A 43 -5.462 -10.113 -3.574 1.00 63.41 C ATOM 723 CG GLU A 43 -4.719 -10.748 -4.777 1.00 60.42 C ATOM 724 CD GLU A 43 -5.651 -11.436 -5.786 1.00 44.14 C ATOM 725 OE1 GLU A 43 -6.303 -12.434 -5.413 1.00 22.02 O ATOM 726 OE2 GLU A 43 -5.747 -10.985 -6.948 1.00 25.42 O ATOM 0 H GLU A 43 -5.005 -7.981 -4.779 1.00 3.10 H new ATOM 0 HA GLU A 43 -7.304 -9.611 -4.586 1.00 11.11 H new ATOM 0 HB2 GLU A 43 -4.732 -9.606 -2.942 1.00 63.41 H new ATOM 0 HB3 GLU A 43 -5.902 -10.911 -2.976 1.00 63.41 H new ATOM 0 HG2 GLU A 43 -4.150 -9.973 -5.291 1.00 60.42 H new ATOM 0 HG3 GLU A 43 -4.000 -11.477 -4.404 1.00 60.42 H new ATOM 733 N ARG A 44 -6.782 -7.531 -2.074 1.00 34.13 N ATOM 734 CA ARG A 44 -7.393 -6.895 -0.895 1.00 61.22 C ATOM 735 C ARG A 44 -8.753 -6.273 -1.249 1.00 1.23 C ATOM 736 O ARG A 44 -9.727 -6.475 -0.543 1.00 75.12 O ATOM 737 CB ARG A 44 -6.442 -5.797 -0.323 1.00 60.45 C ATOM 738 CG ARG A 44 -6.741 -5.359 1.124 1.00 61.41 C ATOM 739 CD ARG A 44 -6.659 -6.550 2.095 1.00 44.22 C ATOM 740 NE ARG A 44 -6.609 -6.150 3.508 1.00 44.54 N ATOM 741 CZ ARG A 44 -6.683 -7.010 4.536 1.00 64.44 C ATOM 742 NH1 ARG A 44 -6.825 -8.323 4.333 1.00 13.21 N ATOM 743 NH2 ARG A 44 -6.574 -6.566 5.767 1.00 21.32 N ATOM 0 H ARG A 44 -5.923 -7.077 -2.384 1.00 34.13 H new ATOM 0 HA ARG A 44 -7.551 -7.664 -0.139 1.00 61.22 H new ATOM 0 HB2 ARG A 44 -5.417 -6.166 -0.370 1.00 60.45 H new ATOM 0 HB3 ARG A 44 -6.495 -4.921 -0.969 1.00 60.45 H new ATOM 0 HG2 ARG A 44 -6.031 -4.590 1.428 1.00 61.41 H new ATOM 0 HG3 ARG A 44 -7.735 -4.914 1.174 1.00 61.41 H new ATOM 0 HD2 ARG A 44 -7.523 -7.197 1.939 1.00 44.22 H new ATOM 0 HD3 ARG A 44 -5.773 -7.140 1.861 1.00 44.22 H new ATOM 0 HE ARG A 44 -6.512 -5.157 3.721 1.00 44.54 H new ATOM 0 HH11 ARG A 44 -6.879 -8.689 3.383 1.00 13.21 H new ATOM 0 HH12 ARG A 44 -6.879 -8.959 5.128 1.00 13.21 H new ATOM 0 HH21 ARG A 44 -6.434 -5.571 5.940 1.00 21.32 H new ATOM 0 HH22 ARG A 44 -6.630 -7.217 6.551 1.00 21.32 H new ATOM 757 N MET A 45 -8.785 -5.556 -2.382 1.00 3.40 N ATOM 758 CA MET A 45 -9.924 -4.714 -2.784 1.00 63.42 C ATOM 759 C MET A 45 -11.059 -5.531 -3.424 1.00 30.55 C ATOM 760 O MET A 45 -12.207 -5.069 -3.443 1.00 62.43 O ATOM 761 CB MET A 45 -9.439 -3.614 -3.762 1.00 51.05 C ATOM 762 CG MET A 45 -8.408 -2.653 -3.150 1.00 13.41 C ATOM 763 SD MET A 45 -9.011 -1.814 -1.671 1.00 52.24 S ATOM 764 CE MET A 45 -10.416 -0.917 -2.315 1.00 20.14 C ATOM 0 H MET A 45 -8.015 -5.543 -3.051 1.00 3.40 H new ATOM 0 HA MET A 45 -10.330 -4.256 -1.882 1.00 63.42 H new ATOM 0 HB2 MET A 45 -9.003 -4.089 -4.641 1.00 51.05 H new ATOM 0 HB3 MET A 45 -10.300 -3.039 -4.104 1.00 51.05 H new ATOM 0 HG2 MET A 45 -7.504 -3.210 -2.901 1.00 13.41 H new ATOM 0 HG3 MET A 45 -8.129 -1.908 -3.895 1.00 13.41 H new ATOM 0 HE1 MET A 45 -10.293 0.147 -2.111 1.00 20.14 H new ATOM 0 HE2 MET A 45 -10.486 -1.074 -3.391 1.00 20.14 H new ATOM 0 HE3 MET A 45 -11.327 -1.276 -1.836 1.00 20.14 H new ATOM 774 N ASP A 46 -10.726 -6.732 -3.942 1.00 1.33 N ATOM 775 CA ASP A 46 -11.693 -7.616 -4.623 1.00 62.15 C ATOM 776 C ASP A 46 -12.902 -7.968 -3.694 1.00 22.40 C ATOM 777 O ASP A 46 -14.047 -7.690 -4.074 1.00 62.42 O ATOM 778 CB ASP A 46 -10.996 -8.894 -5.186 1.00 63.34 C ATOM 779 CG ASP A 46 -11.981 -9.859 -5.881 1.00 33.11 C ATOM 780 OD1 ASP A 46 -12.245 -9.694 -7.087 1.00 31.43 O ATOM 781 OD2 ASP A 46 -12.492 -10.793 -5.218 1.00 61.31 O ATOM 0 H ASP A 46 -9.781 -7.115 -3.900 1.00 1.33 H new ATOM 0 HA ASP A 46 -12.097 -7.070 -5.475 1.00 62.15 H new ATOM 0 HB2 ASP A 46 -10.224 -8.598 -5.896 1.00 63.34 H new ATOM 0 HB3 ASP A 46 -10.496 -9.418 -4.371 1.00 63.34 H new ATOM 786 N PRO A 47 -12.698 -8.545 -2.447 1.00 54.32 N ATOM 787 CA PRO A 47 -13.831 -8.845 -1.532 1.00 61.22 C ATOM 788 C PRO A 47 -14.486 -7.564 -0.969 1.00 2.51 C ATOM 789 O PRO A 47 -15.655 -7.581 -0.602 1.00 33.22 O ATOM 790 CB PRO A 47 -13.172 -9.692 -0.410 1.00 62.12 C ATOM 791 CG PRO A 47 -11.744 -9.241 -0.391 1.00 50.33 C ATOM 792 CD PRO A 47 -11.399 -8.967 -1.835 1.00 23.53 C ATOM 0 HA PRO A 47 -14.646 -9.364 -2.036 1.00 61.22 H new ATOM 0 HB2 PRO A 47 -13.655 -9.521 0.552 1.00 62.12 H new ATOM 0 HB3 PRO A 47 -13.249 -10.759 -0.621 1.00 62.12 H new ATOM 0 HG2 PRO A 47 -11.621 -8.347 0.220 1.00 50.33 H new ATOM 0 HG3 PRO A 47 -11.094 -10.008 0.031 1.00 50.33 H new ATOM 0 HD2 PRO A 47 -10.644 -8.185 -1.923 1.00 23.53 H new ATOM 0 HD3 PRO A 47 -10.998 -9.854 -2.324 1.00 23.53 H new ATOM 800 N ILE A 48 -13.712 -6.468 -0.925 1.00 42.24 N ATOM 801 CA ILE A 48 -14.153 -5.169 -0.380 1.00 51.12 C ATOM 802 C ILE A 48 -15.211 -4.498 -1.295 1.00 52.13 C ATOM 803 O ILE A 48 -16.141 -3.832 -0.808 1.00 11.34 O ATOM 804 CB ILE A 48 -12.906 -4.234 -0.167 1.00 61.43 C ATOM 805 CG1 ILE A 48 -11.898 -4.869 0.852 1.00 60.12 C ATOM 806 CG2 ILE A 48 -13.309 -2.813 0.273 1.00 12.44 C ATOM 807 CD1 ILE A 48 -12.415 -5.061 2.274 1.00 11.43 C ATOM 0 H ILE A 48 -12.752 -6.456 -1.270 1.00 42.24 H new ATOM 0 HA ILE A 48 -14.632 -5.341 0.584 1.00 51.12 H new ATOM 0 HB ILE A 48 -12.410 -4.141 -1.133 1.00 61.43 H new ATOM 0 HG12 ILE A 48 -11.585 -5.839 0.466 1.00 60.12 H new ATOM 0 HG13 ILE A 48 -11.008 -4.240 0.892 1.00 60.12 H new ATOM 0 HG21 ILE A 48 -12.414 -2.206 0.407 1.00 12.44 H new ATOM 0 HG22 ILE A 48 -13.943 -2.362 -0.491 1.00 12.44 H new ATOM 0 HG23 ILE A 48 -13.856 -2.865 1.214 1.00 12.44 H new ATOM 0 HD11 ILE A 48 -11.633 -5.507 2.888 1.00 11.43 H new ATOM 0 HD12 ILE A 48 -12.698 -4.095 2.692 1.00 11.43 H new ATOM 0 HD13 ILE A 48 -13.284 -5.719 2.259 1.00 11.43 H new ATOM 819 N LYS A 49 -15.073 -4.695 -2.624 1.00 32.20 N ATOM 820 CA LYS A 49 -16.081 -4.234 -3.601 1.00 55.23 C ATOM 821 C LYS A 49 -17.390 -5.029 -3.423 1.00 44.40 C ATOM 822 O LYS A 49 -18.481 -4.476 -3.579 1.00 53.03 O ATOM 823 CB LYS A 49 -15.559 -4.384 -5.051 1.00 14.11 C ATOM 824 CG LYS A 49 -14.333 -3.509 -5.398 1.00 33.53 C ATOM 825 CD LYS A 49 -13.850 -3.717 -6.859 1.00 41.01 C ATOM 826 CE LYS A 49 -14.906 -3.310 -7.908 1.00 53.44 C ATOM 827 NZ LYS A 49 -14.439 -3.529 -9.303 1.00 52.54 N ATOM 0 H LYS A 49 -14.274 -5.170 -3.044 1.00 32.20 H new ATOM 0 HA LYS A 49 -16.276 -3.177 -3.418 1.00 55.23 H new ATOM 0 HB2 LYS A 49 -15.301 -5.429 -5.222 1.00 14.11 H new ATOM 0 HB3 LYS A 49 -16.368 -4.139 -5.739 1.00 14.11 H new ATOM 0 HG2 LYS A 49 -14.585 -2.459 -5.248 1.00 33.53 H new ATOM 0 HG3 LYS A 49 -13.518 -3.742 -4.712 1.00 33.53 H new ATOM 0 HD2 LYS A 49 -12.942 -3.136 -7.022 1.00 41.01 H new ATOM 0 HD3 LYS A 49 -13.588 -4.765 -7.003 1.00 41.01 H new ATOM 0 HE2 LYS A 49 -15.819 -3.882 -7.740 1.00 53.44 H new ATOM 0 HE3 LYS A 49 -15.159 -2.258 -7.774 1.00 53.44 H new ATOM 0 HZ1 LYS A 49 -15.185 -3.240 -9.968 1.00 52.54 H new ATOM 0 HZ2 LYS A 49 -13.583 -2.964 -9.475 1.00 52.54 H new ATOM 0 HZ3 LYS A 49 -14.222 -4.537 -9.442 1.00 52.54 H new ATOM 841 N LYS A 50 -17.248 -6.330 -3.082 1.00 30.24 N ATOM 842 CA LYS A 50 -18.383 -7.231 -2.786 1.00 13.42 C ATOM 843 C LYS A 50 -19.077 -6.772 -1.473 1.00 54.33 C ATOM 844 O LYS A 50 -20.305 -6.847 -1.354 1.00 20.35 O ATOM 845 CB LYS A 50 -17.872 -8.714 -2.699 1.00 13.21 C ATOM 846 CG LYS A 50 -18.890 -9.836 -3.072 1.00 73.21 C ATOM 847 CD LYS A 50 -20.133 -9.944 -2.143 1.00 22.44 C ATOM 848 CE LYS A 50 -19.777 -10.225 -0.672 1.00 41.05 C ATOM 849 NZ LYS A 50 -20.980 -10.235 0.195 1.00 24.54 N ATOM 0 H LYS A 50 -16.339 -6.785 -3.004 1.00 30.24 H new ATOM 0 HA LYS A 50 -19.122 -7.186 -3.586 1.00 13.42 H new ATOM 0 HB2 LYS A 50 -17.005 -8.813 -3.352 1.00 13.21 H new ATOM 0 HB3 LYS A 50 -17.527 -8.894 -1.681 1.00 13.21 H new ATOM 0 HG2 LYS A 50 -19.234 -9.667 -4.092 1.00 73.21 H new ATOM 0 HG3 LYS A 50 -18.369 -10.793 -3.066 1.00 73.21 H new ATOM 0 HD2 LYS A 50 -20.701 -9.016 -2.200 1.00 22.44 H new ATOM 0 HD3 LYS A 50 -20.783 -10.739 -2.510 1.00 22.44 H new ATOM 0 HE2 LYS A 50 -19.268 -11.186 -0.599 1.00 41.05 H new ATOM 0 HE3 LYS A 50 -19.079 -9.467 -0.316 1.00 41.05 H new ATOM 0 HZ1 LYS A 50 -20.698 -10.428 1.177 1.00 24.54 H new ATOM 0 HZ2 LYS A 50 -21.452 -9.309 0.145 1.00 24.54 H new ATOM 0 HZ3 LYS A 50 -21.635 -10.975 -0.129 1.00 24.54 H new ATOM 863 N LEU A 51 -18.272 -6.274 -0.506 1.00 63.22 N ATOM 864 CA LEU A 51 -18.792 -5.716 0.765 1.00 31.31 C ATOM 865 C LEU A 51 -19.498 -4.372 0.501 1.00 30.01 C ATOM 866 O LEU A 51 -20.337 -3.936 1.290 1.00 21.01 O ATOM 867 CB LEU A 51 -17.654 -5.528 1.809 1.00 64.02 C ATOM 868 CG LEU A 51 -16.899 -6.820 2.263 1.00 72.25 C ATOM 869 CD1 LEU A 51 -15.789 -6.488 3.282 1.00 63.24 C ATOM 870 CD2 LEU A 51 -17.871 -7.888 2.817 1.00 65.14 C ATOM 0 H LEU A 51 -17.255 -6.247 -0.582 1.00 63.22 H new ATOM 0 HA LEU A 51 -19.510 -6.425 1.177 1.00 31.31 H new ATOM 0 HB2 LEU A 51 -16.923 -4.834 1.394 1.00 64.02 H new ATOM 0 HB3 LEU A 51 -18.078 -5.053 2.694 1.00 64.02 H new ATOM 0 HG LEU A 51 -16.424 -7.246 1.379 1.00 72.25 H new ATOM 0 HD11 LEU A 51 -15.282 -7.406 3.579 1.00 63.24 H new ATOM 0 HD12 LEU A 51 -15.070 -5.807 2.827 1.00 63.24 H new ATOM 0 HD13 LEU A 51 -16.230 -6.017 4.160 1.00 63.24 H new ATOM 0 HD21 LEU A 51 -17.307 -8.770 3.121 1.00 65.14 H new ATOM 0 HD22 LEU A 51 -18.404 -7.483 3.677 1.00 65.14 H new ATOM 0 HD23 LEU A 51 -18.587 -8.164 2.043 1.00 65.14 H new ATOM 882 N GLY A 52 -19.121 -3.726 -0.615 1.00 51.12 N ATOM 883 CA GLY A 52 -19.840 -2.578 -1.141 1.00 75.10 C ATOM 884 C GLY A 52 -19.671 -1.319 -0.321 1.00 42.44 C ATOM 885 O GLY A 52 -20.625 -0.569 -0.139 1.00 22.41 O ATOM 0 H GLY A 52 -18.308 -3.993 -1.170 1.00 51.12 H new ATOM 0 HA2 GLY A 52 -19.501 -2.385 -2.159 1.00 75.10 H new ATOM 0 HA3 GLY A 52 -20.901 -2.822 -1.199 1.00 75.10 H new ATOM 889 N CYS A 53 -18.457 -1.084 0.172 1.00 13.14 N ATOM 890 CA CYS A 53 -18.160 0.079 1.010 1.00 3.42 C ATOM 891 C CYS A 53 -17.985 1.348 0.153 1.00 64.05 C ATOM 892 O CYS A 53 -17.026 1.454 -0.612 1.00 14.11 O ATOM 893 CB CYS A 53 -16.920 -0.213 1.853 1.00 2.14 C ATOM 894 SG CYS A 53 -17.176 -1.618 2.976 1.00 63.42 S ATOM 0 H CYS A 53 -17.654 -1.690 0.004 1.00 13.14 H new ATOM 0 HA CYS A 53 -18.999 0.267 1.680 1.00 3.42 H new ATOM 0 HB2 CYS A 53 -16.076 -0.423 1.196 1.00 2.14 H new ATOM 0 HB3 CYS A 53 -16.659 0.672 2.433 1.00 2.14 H new ATOM 899 N LYS A 54 -18.958 2.280 0.306 1.00 71.21 N ATOM 900 CA LYS A 54 -19.026 3.600 -0.379 1.00 62.32 C ATOM 901 C LYS A 54 -17.682 4.366 -0.343 1.00 42.35 C ATOM 902 O LYS A 54 -17.315 5.016 -1.313 1.00 3.34 O ATOM 903 CB LYS A 54 -20.187 4.486 0.228 1.00 71.31 C ATOM 904 CG LYS A 54 -20.017 4.951 1.716 1.00 51.43 C ATOM 905 CD LYS A 54 -19.956 3.789 2.743 1.00 32.34 C ATOM 906 CE LYS A 54 -19.931 4.269 4.207 1.00 1.32 C ATOM 907 NZ LYS A 54 -21.181 4.979 4.594 1.00 43.50 N ATOM 0 H LYS A 54 -19.748 2.130 0.933 1.00 71.21 H new ATOM 0 HA LYS A 54 -19.244 3.396 -1.427 1.00 62.32 H new ATOM 0 HB2 LYS A 54 -20.298 5.374 -0.395 1.00 71.31 H new ATOM 0 HB3 LYS A 54 -21.118 3.925 0.152 1.00 71.31 H new ATOM 0 HG2 LYS A 54 -19.105 5.542 1.798 1.00 51.43 H new ATOM 0 HG3 LYS A 54 -20.847 5.608 1.977 1.00 51.43 H new ATOM 0 HD2 LYS A 54 -20.818 3.138 2.596 1.00 32.34 H new ATOM 0 HD3 LYS A 54 -19.067 3.189 2.550 1.00 32.34 H new ATOM 0 HE2 LYS A 54 -19.785 3.412 4.865 1.00 1.32 H new ATOM 0 HE3 LYS A 54 -19.079 4.933 4.354 1.00 1.32 H new ATOM 0 HZ1 LYS A 54 -21.181 5.147 5.620 1.00 43.50 H new ATOM 0 HZ2 LYS A 54 -21.232 5.890 4.094 1.00 43.50 H new ATOM 0 HZ3 LYS A 54 -22.004 4.397 4.338 1.00 43.50 H new ATOM 921 N ARG A 55 -16.955 4.259 0.783 1.00 75.31 N ATOM 922 CA ARG A 55 -15.615 4.833 0.945 1.00 61.13 C ATOM 923 C ARG A 55 -14.813 3.885 1.856 1.00 0.42 C ATOM 924 O ARG A 55 -15.336 3.395 2.863 1.00 11.25 O ATOM 925 CB ARG A 55 -15.686 6.289 1.534 1.00 0.21 C ATOM 926 CG ARG A 55 -14.475 7.209 1.193 1.00 21.13 C ATOM 927 CD ARG A 55 -13.163 6.855 1.932 1.00 65.10 C ATOM 928 NE ARG A 55 -13.119 7.348 3.329 1.00 34.40 N ATOM 929 CZ ARG A 55 -13.238 6.605 4.448 1.00 32.31 C ATOM 930 NH1 ARG A 55 -13.436 5.299 4.396 1.00 10.02 N ATOM 931 NH2 ARG A 55 -13.113 7.187 5.626 1.00 64.21 N ATOM 0 H ARG A 55 -17.288 3.766 1.612 1.00 75.31 H new ATOM 0 HA ARG A 55 -15.120 4.924 -0.022 1.00 61.13 H new ATOM 0 HB2 ARG A 55 -16.596 6.766 1.170 1.00 0.21 H new ATOM 0 HB3 ARG A 55 -15.774 6.220 2.618 1.00 0.21 H new ATOM 0 HG2 ARG A 55 -14.294 7.164 0.119 1.00 21.13 H new ATOM 0 HG3 ARG A 55 -14.742 8.239 1.429 1.00 21.13 H new ATOM 0 HD2 ARG A 55 -13.037 5.772 1.933 1.00 65.10 H new ATOM 0 HD3 ARG A 55 -12.321 7.273 1.381 1.00 65.10 H new ATOM 0 HE ARG A 55 -12.985 8.351 3.457 1.00 34.40 H new ATOM 0 HH11 ARG A 55 -13.502 4.829 3.493 1.00 10.02 H new ATOM 0 HH12 ARG A 55 -13.522 4.762 5.259 1.00 10.02 H new ATOM 0 HH21 ARG A 55 -12.928 8.189 5.683 1.00 64.21 H new ATOM 0 HH22 ARG A 55 -13.201 6.635 6.479 1.00 64.21 H new ATOM 945 N VAL A 56 -13.551 3.636 1.482 1.00 22.30 N ATOM 946 CA VAL A 56 -12.604 2.810 2.246 1.00 5.30 C ATOM 947 C VAL A 56 -11.328 3.612 2.536 1.00 60.01 C ATOM 948 O VAL A 56 -10.879 4.398 1.701 1.00 23.23 O ATOM 949 CB VAL A 56 -12.228 1.495 1.480 1.00 71.25 C ATOM 950 CG1 VAL A 56 -13.458 0.585 1.334 1.00 61.42 C ATOM 951 CG2 VAL A 56 -11.585 1.789 0.099 1.00 23.23 C ATOM 0 H VAL A 56 -13.151 4.011 0.622 1.00 22.30 H new ATOM 0 HA VAL A 56 -13.091 2.530 3.180 1.00 5.30 H new ATOM 0 HB VAL A 56 -11.479 0.972 2.075 1.00 71.25 H new ATOM 0 HG11 VAL A 56 -13.178 -0.323 0.800 1.00 61.42 H new ATOM 0 HG12 VAL A 56 -13.836 0.323 2.322 1.00 61.42 H new ATOM 0 HG13 VAL A 56 -14.234 1.109 0.776 1.00 61.42 H new ATOM 0 HG21 VAL A 56 -11.341 0.849 -0.396 1.00 23.23 H new ATOM 0 HG22 VAL A 56 -12.287 2.352 -0.517 1.00 23.23 H new ATOM 0 HG23 VAL A 56 -10.675 2.373 0.238 1.00 23.23 H new ATOM 961 N ARG A 57 -10.768 3.423 3.728 1.00 33.15 N ATOM 962 CA ARG A 57 -9.505 4.057 4.122 1.00 45.23 C ATOM 963 C ARG A 57 -8.415 2.979 4.231 1.00 71.03 C ATOM 964 O ARG A 57 -8.404 2.196 5.179 1.00 45.13 O ATOM 965 CB ARG A 57 -9.696 4.797 5.466 1.00 30.12 C ATOM 966 CG ARG A 57 -8.446 5.553 5.986 1.00 43.32 C ATOM 967 CD ARG A 57 -8.678 6.147 7.384 1.00 43.45 C ATOM 968 NE ARG A 57 -9.097 5.100 8.340 1.00 72.13 N ATOM 969 CZ ARG A 57 -9.862 5.285 9.427 1.00 44.50 C ATOM 970 NH1 ARG A 57 -10.330 6.485 9.748 1.00 55.43 N ATOM 971 NH2 ARG A 57 -10.159 4.241 10.181 1.00 34.42 N ATOM 0 H ARG A 57 -11.173 2.827 4.450 1.00 33.15 H new ATOM 0 HA ARG A 57 -9.198 4.787 3.373 1.00 45.23 H new ATOM 0 HB2 ARG A 57 -10.513 5.510 5.357 1.00 30.12 H new ATOM 0 HB3 ARG A 57 -10.003 4.073 6.221 1.00 30.12 H new ATOM 0 HG2 ARG A 57 -7.596 4.871 6.017 1.00 43.32 H new ATOM 0 HG3 ARG A 57 -8.189 6.351 5.290 1.00 43.32 H new ATOM 0 HD2 ARG A 57 -7.763 6.623 7.738 1.00 43.45 H new ATOM 0 HD3 ARG A 57 -9.441 6.923 7.331 1.00 43.45 H new ATOM 0 HE ARG A 57 -8.775 4.150 8.157 1.00 72.13 H new ATOM 0 HH11 ARG A 57 -10.110 7.291 9.163 1.00 55.43 H new ATOM 0 HH12 ARG A 57 -10.910 6.601 10.579 1.00 55.43 H new ATOM 0 HH21 ARG A 57 -9.808 3.316 9.932 1.00 34.42 H new ATOM 0 HH22 ARG A 57 -10.739 4.360 11.012 1.00 34.42 H new ATOM 985 N ILE A 58 -7.517 2.953 3.238 1.00 12.22 N ATOM 986 CA ILE A 58 -6.359 2.057 3.166 1.00 30.54 C ATOM 987 C ILE A 58 -5.136 2.803 3.742 1.00 33.31 C ATOM 988 O ILE A 58 -4.659 3.770 3.144 1.00 65.34 O ATOM 989 CB ILE A 58 -6.047 1.648 1.672 1.00 71.14 C ATOM 990 CG1 ILE A 58 -7.320 1.085 0.959 1.00 30.53 C ATOM 991 CG2 ILE A 58 -4.869 0.635 1.603 1.00 34.33 C ATOM 992 CD1 ILE A 58 -7.145 0.803 -0.527 1.00 1.13 C ATOM 0 H ILE A 58 -7.580 3.578 2.435 1.00 12.22 H new ATOM 0 HA ILE A 58 -6.575 1.152 3.733 1.00 30.54 H new ATOM 0 HB ILE A 58 -5.743 2.549 1.139 1.00 71.14 H new ATOM 0 HG12 ILE A 58 -7.621 0.163 1.457 1.00 30.53 H new ATOM 0 HG13 ILE A 58 -8.136 1.797 1.086 1.00 30.53 H new ATOM 0 HG21 ILE A 58 -4.676 0.371 0.563 1.00 34.33 H new ATOM 0 HG22 ILE A 58 -3.975 1.086 2.034 1.00 34.33 H new ATOM 0 HG23 ILE A 58 -5.128 -0.263 2.163 1.00 34.33 H new ATOM 0 HD11 ILE A 58 -8.078 0.416 -0.936 1.00 1.13 H new ATOM 0 HD12 ILE A 58 -6.877 1.725 -1.043 1.00 1.13 H new ATOM 0 HD13 ILE A 58 -6.354 0.066 -0.667 1.00 1.13 H new ATOM 1004 N SER A 59 -4.667 2.388 4.915 1.00 12.11 N ATOM 1005 CA SER A 59 -3.477 2.953 5.561 1.00 2.23 C ATOM 1006 C SER A 59 -2.340 1.929 5.452 1.00 73.00 C ATOM 1007 O SER A 59 -2.372 0.886 6.114 1.00 42.34 O ATOM 1008 CB SER A 59 -3.798 3.296 7.035 1.00 62.41 C ATOM 1009 OG SER A 59 -4.918 4.168 7.120 1.00 31.12 O ATOM 0 H SER A 59 -5.105 1.641 5.454 1.00 12.11 H new ATOM 0 HA SER A 59 -3.169 3.876 5.070 1.00 2.23 H new ATOM 0 HB2 SER A 59 -4.002 2.380 7.590 1.00 62.41 H new ATOM 0 HB3 SER A 59 -2.931 3.764 7.501 1.00 62.41 H new ATOM 0 HG SER A 59 -5.104 4.370 8.061 1.00 31.12 H new ATOM 1015 N ILE A 60 -1.376 2.202 4.555 1.00 0.35 N ATOM 1016 CA ILE A 60 -0.213 1.328 4.317 1.00 74.04 C ATOM 1017 C ILE A 60 0.993 1.857 5.112 1.00 4.03 C ATOM 1018 O ILE A 60 1.372 3.023 4.956 1.00 53.42 O ATOM 1019 CB ILE A 60 0.142 1.247 2.785 1.00 74.11 C ATOM 1020 CG1 ILE A 60 -1.053 0.641 1.981 1.00 75.15 C ATOM 1021 CG2 ILE A 60 1.455 0.451 2.542 1.00 52.13 C ATOM 1022 CD1 ILE A 60 -0.854 0.595 0.477 1.00 51.43 C ATOM 0 H ILE A 60 -1.382 3.039 3.972 1.00 0.35 H new ATOM 0 HA ILE A 60 -0.464 0.321 4.652 1.00 74.04 H new ATOM 0 HB ILE A 60 0.316 2.261 2.424 1.00 74.11 H new ATOM 0 HG12 ILE A 60 -1.237 -0.372 2.340 1.00 75.15 H new ATOM 0 HG13 ILE A 60 -1.949 1.223 2.197 1.00 75.15 H new ATOM 0 HG21 ILE A 60 1.667 0.417 1.473 1.00 52.13 H new ATOM 0 HG22 ILE A 60 2.279 0.942 3.060 1.00 52.13 H new ATOM 0 HG23 ILE A 60 1.341 -0.564 2.922 1.00 52.13 H new ATOM 0 HD11 ILE A 60 -1.735 0.159 0.007 1.00 51.43 H new ATOM 0 HD12 ILE A 60 -0.703 1.606 0.099 1.00 51.43 H new ATOM 0 HD13 ILE A 60 0.020 -0.013 0.244 1.00 51.43 H new ATOM 1034 N ARG A 61 1.561 1.003 5.981 1.00 11.04 N ATOM 1035 CA ARG A 61 2.788 1.308 6.737 1.00 34.41 C ATOM 1036 C ARG A 61 3.936 0.437 6.225 1.00 73.11 C ATOM 1037 O ARG A 61 3.742 -0.757 5.956 1.00 42.23 O ATOM 1038 CB ARG A 61 2.592 1.052 8.255 1.00 60.21 C ATOM 1039 CG ARG A 61 1.538 1.957 8.923 1.00 54.31 C ATOM 1040 CD ARG A 61 1.468 1.746 10.444 1.00 14.43 C ATOM 1041 NE ARG A 61 0.439 2.585 11.081 1.00 61.41 N ATOM 1042 CZ ARG A 61 0.676 3.665 11.850 1.00 13.52 C ATOM 1043 NH1 ARG A 61 1.916 4.086 12.076 1.00 64.23 N ATOM 1044 NH2 ARG A 61 -0.340 4.297 12.406 1.00 14.10 N ATOM 0 H ARG A 61 1.180 0.078 6.179 1.00 11.04 H new ATOM 0 HA ARG A 61 3.022 2.363 6.591 1.00 34.41 H new ATOM 0 HB2 ARG A 61 2.304 0.011 8.401 1.00 60.21 H new ATOM 0 HB3 ARG A 61 3.547 1.193 8.761 1.00 60.21 H new ATOM 0 HG2 ARG A 61 1.773 3.001 8.714 1.00 54.31 H new ATOM 0 HG3 ARG A 61 0.560 1.757 8.485 1.00 54.31 H new ATOM 0 HD2 ARG A 61 1.258 0.697 10.653 1.00 14.43 H new ATOM 0 HD3 ARG A 61 2.440 1.971 10.884 1.00 14.43 H new ATOM 0 HE ARG A 61 -0.536 2.326 10.927 1.00 61.41 H new ATOM 0 HH11 ARG A 61 2.706 3.589 11.665 1.00 64.23 H new ATOM 0 HH12 ARG A 61 2.078 4.906 12.661 1.00 64.23 H new ATOM 0 HH21 ARG A 61 -1.292 3.966 12.251 1.00 14.10 H new ATOM 0 HH22 ARG A 61 -0.173 5.116 12.990 1.00 14.10 H new ATOM 1058 N VAL A 62 5.120 1.045 6.083 1.00 51.12 N ATOM 1059 CA VAL A 62 6.373 0.329 5.805 1.00 64.23 C ATOM 1060 C VAL A 62 7.143 0.168 7.136 1.00 44.43 C ATOM 1061 O VAL A 62 7.137 1.080 7.981 1.00 73.55 O ATOM 1062 CB VAL A 62 7.247 1.092 4.726 1.00 55.23 C ATOM 1063 CG1 VAL A 62 7.794 2.443 5.245 1.00 73.40 C ATOM 1064 CG2 VAL A 62 8.397 0.210 4.197 1.00 25.44 C ATOM 0 H VAL A 62 5.237 2.055 6.158 1.00 51.12 H new ATOM 0 HA VAL A 62 6.149 -0.652 5.386 1.00 64.23 H new ATOM 0 HB VAL A 62 6.574 1.313 3.898 1.00 55.23 H new ATOM 0 HG11 VAL A 62 8.385 2.921 4.463 1.00 73.40 H new ATOM 0 HG12 VAL A 62 6.962 3.092 5.518 1.00 73.40 H new ATOM 0 HG13 VAL A 62 8.421 2.270 6.119 1.00 73.40 H new ATOM 0 HG21 VAL A 62 8.974 0.768 3.459 1.00 25.44 H new ATOM 0 HG22 VAL A 62 9.046 -0.076 5.024 1.00 25.44 H new ATOM 0 HG23 VAL A 62 7.985 -0.686 3.733 1.00 25.44 H new ATOM 1074 N LYS A 63 7.756 -1.005 7.346 1.00 12.52 N ATOM 1075 CA LYS A 63 8.544 -1.283 8.557 1.00 43.20 C ATOM 1076 C LYS A 63 9.959 -0.705 8.420 1.00 70.44 C ATOM 1077 O LYS A 63 10.650 -0.958 7.426 1.00 1.44 O ATOM 1078 CB LYS A 63 8.598 -2.798 8.840 1.00 64.43 C ATOM 1079 CG LYS A 63 7.252 -3.478 9.214 1.00 75.35 C ATOM 1080 CD LYS A 63 6.660 -3.066 10.600 1.00 42.22 C ATOM 1081 CE LYS A 63 5.821 -1.774 10.568 1.00 12.25 C ATOM 1082 NZ LYS A 63 5.291 -1.423 11.909 1.00 34.53 N ATOM 0 H LYS A 63 7.721 -1.783 6.687 1.00 12.52 H new ATOM 0 HA LYS A 63 8.055 -0.799 9.403 1.00 43.20 H new ATOM 0 HB2 LYS A 63 8.999 -3.297 7.958 1.00 64.43 H new ATOM 0 HB3 LYS A 63 9.305 -2.969 9.652 1.00 64.43 H new ATOM 0 HG2 LYS A 63 6.519 -3.246 8.441 1.00 75.35 H new ATOM 0 HG3 LYS A 63 7.395 -4.559 9.205 1.00 75.35 H new ATOM 0 HD2 LYS A 63 6.039 -3.880 10.974 1.00 42.22 H new ATOM 0 HD3 LYS A 63 7.478 -2.937 11.309 1.00 42.22 H new ATOM 0 HE2 LYS A 63 6.433 -0.953 10.194 1.00 12.25 H new ATOM 0 HE3 LYS A 63 4.992 -1.897 9.871 1.00 12.25 H new ATOM 0 HZ1 LYS A 63 4.253 -1.484 11.899 1.00 34.53 H new ATOM 0 HZ2 LYS A 63 5.670 -2.085 12.616 1.00 34.53 H new ATOM 0 HZ3 LYS A 63 5.578 -0.454 12.153 1.00 34.53 H new ATOM 1096 N HIS A 64 10.366 0.089 9.422 1.00 50.12 N ATOM 1097 CA HIS A 64 11.682 0.739 9.469 1.00 4.42 C ATOM 1098 C HIS A 64 12.174 0.861 10.922 1.00 44.14 C ATOM 1099 O HIS A 64 11.360 0.905 11.856 1.00 10.24 O ATOM 1100 CB HIS A 64 11.640 2.122 8.781 1.00 52.33 C ATOM 1101 CG HIS A 64 10.637 3.103 9.342 1.00 22.12 C ATOM 1102 ND1 HIS A 64 10.756 3.679 10.592 1.00 55.24 N ATOM 1103 CD2 HIS A 64 9.522 3.645 8.796 1.00 50.32 C ATOM 1104 CE1 HIS A 64 9.764 4.515 10.785 1.00 52.53 C ATOM 1105 NE2 HIS A 64 9.008 4.519 9.713 1.00 0.22 N ATOM 0 H HIS A 64 9.782 0.299 10.232 1.00 50.12 H new ATOM 0 HA HIS A 64 12.389 0.116 8.922 1.00 4.42 H new ATOM 0 HB2 HIS A 64 12.632 2.569 8.844 1.00 52.33 H new ATOM 0 HB3 HIS A 64 11.424 1.975 7.723 1.00 52.33 H new ATOM 0 HD1 HIS A 64 11.500 3.484 11.262 1.00 55.24 H new ATOM 0 HD2 HIS A 64 9.115 3.427 7.819 1.00 50.32 H new ATOM 0 HE1 HIS A 64 9.598 5.101 11.677 1.00 52.53 H new ATOM 1114 N SER A 65 13.504 0.919 11.089 1.00 4.32 N ATOM 1115 CA SER A 65 14.165 1.156 12.393 1.00 62.24 C ATOM 1116 C SER A 65 15.644 1.533 12.148 1.00 43.14 C ATOM 1117 O SER A 65 16.532 1.253 12.964 1.00 0.30 O ATOM 1118 CB SER A 65 14.036 -0.094 13.295 1.00 42.05 C ATOM 1119 OG SER A 65 14.595 -1.239 12.675 1.00 53.44 O ATOM 0 H SER A 65 14.162 0.802 10.319 1.00 4.32 H new ATOM 0 HA SER A 65 13.678 1.981 12.913 1.00 62.24 H new ATOM 0 HB2 SER A 65 14.537 0.088 14.246 1.00 42.05 H new ATOM 0 HB3 SER A 65 12.985 -0.276 13.519 1.00 42.05 H new ATOM 0 HG SER A 65 14.500 -2.012 13.270 1.00 53.44 H new ATOM 1125 N ASP A 66 15.874 2.219 11.016 1.00 23.24 N ATOM 1126 CA ASP A 66 17.210 2.604 10.541 1.00 40.12 C ATOM 1127 C ASP A 66 17.130 4.061 10.070 1.00 51.34 C ATOM 1128 O ASP A 66 16.974 4.333 8.875 1.00 32.42 O ATOM 1129 CB ASP A 66 17.650 1.643 9.399 1.00 20.14 C ATOM 1130 CG ASP A 66 19.105 1.843 8.944 1.00 53.42 C ATOM 1131 OD1 ASP A 66 20.009 1.215 9.538 1.00 32.43 O ATOM 1132 OD2 ASP A 66 19.356 2.626 8.000 1.00 10.03 O ATOM 0 H ASP A 66 15.124 2.526 10.397 1.00 23.24 H new ATOM 0 HA ASP A 66 17.957 2.526 11.331 1.00 40.12 H new ATOM 0 HB2 ASP A 66 17.522 0.614 9.734 1.00 20.14 H new ATOM 0 HB3 ASP A 66 16.989 1.784 8.544 1.00 20.14 H new ATOM 1137 N ALA A 67 17.224 4.993 11.039 1.00 34.04 N ATOM 1138 CA ALA A 67 16.881 6.424 10.858 1.00 4.13 C ATOM 1139 C ALA A 67 17.775 7.157 9.836 1.00 21.32 C ATOM 1140 O ALA A 67 17.519 8.320 9.500 1.00 21.40 O ATOM 1141 CB ALA A 67 16.885 7.134 12.222 1.00 44.53 C ATOM 0 H ALA A 67 17.544 4.774 11.982 1.00 34.04 H new ATOM 0 HA ALA A 67 15.879 6.459 10.431 1.00 4.13 H new ATOM 0 HB1 ALA A 67 16.633 8.186 12.086 1.00 44.53 H new ATOM 0 HB2 ALA A 67 16.150 6.667 12.878 1.00 44.53 H new ATOM 0 HB3 ALA A 67 17.875 7.054 12.671 1.00 44.53 H new ATOM 1147 N ALA A 68 18.815 6.468 9.341 1.00 53.44 N ATOM 1148 CA ALA A 68 19.636 6.945 8.227 1.00 74.51 C ATOM 1149 C ALA A 68 18.905 6.708 6.885 1.00 4.32 C ATOM 1150 O ALA A 68 18.455 7.656 6.239 1.00 22.00 O ATOM 1151 CB ALA A 68 21.005 6.244 8.254 1.00 12.25 C ATOM 0 H ALA A 68 19.108 5.562 9.706 1.00 53.44 H new ATOM 0 HA ALA A 68 19.801 8.018 8.329 1.00 74.51 H new ATOM 0 HB1 ALA A 68 21.613 6.602 7.423 1.00 12.25 H new ATOM 0 HB2 ALA A 68 21.509 6.466 9.195 1.00 12.25 H new ATOM 0 HB3 ALA A 68 20.864 5.167 8.163 1.00 12.25 H new ATOM 1157 N GLU A 69 18.732 5.425 6.519 1.00 51.42 N ATOM 1158 CA GLU A 69 18.274 5.018 5.172 1.00 32.51 C ATOM 1159 C GLU A 69 16.742 5.039 5.015 1.00 41.53 C ATOM 1160 O GLU A 69 16.260 5.240 3.909 1.00 53.11 O ATOM 1161 CB GLU A 69 18.828 3.608 4.823 1.00 63.45 C ATOM 1162 CG GLU A 69 20.345 3.575 4.560 1.00 41.12 C ATOM 1163 CD GLU A 69 20.742 4.347 3.288 1.00 33.44 C ATOM 1164 OE1 GLU A 69 20.448 3.863 2.173 1.00 74.13 O ATOM 1165 OE2 GLU A 69 21.346 5.431 3.386 1.00 75.35 O ATOM 0 H GLU A 69 18.905 4.639 7.146 1.00 51.42 H new ATOM 0 HA GLU A 69 18.667 5.757 4.474 1.00 32.51 H new ATOM 0 HB2 GLU A 69 18.597 2.926 5.641 1.00 63.45 H new ATOM 0 HB3 GLU A 69 18.309 3.234 3.941 1.00 63.45 H new ATOM 0 HG2 GLU A 69 20.868 4.000 5.417 1.00 41.12 H new ATOM 0 HG3 GLU A 69 20.672 2.539 4.469 1.00 41.12 H new ATOM 1172 N GLU A 70 15.992 4.844 6.116 1.00 71.31 N ATOM 1173 CA GLU A 70 14.514 4.680 6.061 1.00 22.32 C ATOM 1174 C GLU A 70 13.794 5.903 5.445 1.00 22.45 C ATOM 1175 O GLU A 70 12.741 5.763 4.834 1.00 25.24 O ATOM 1176 CB GLU A 70 13.946 4.408 7.472 1.00 21.23 C ATOM 1177 CG GLU A 70 14.098 5.569 8.479 1.00 20.32 C ATOM 1178 CD GLU A 70 13.461 5.293 9.852 1.00 11.21 C ATOM 1179 OE1 GLU A 70 13.802 4.270 10.486 1.00 1.40 O ATOM 1180 OE2 GLU A 70 12.612 6.086 10.301 1.00 32.43 O ATOM 0 H GLU A 70 16.379 4.795 7.058 1.00 71.31 H new ATOM 0 HA GLU A 70 14.325 3.826 5.411 1.00 22.32 H new ATOM 0 HB2 GLU A 70 12.887 4.166 7.379 1.00 21.23 H new ATOM 0 HB3 GLU A 70 14.440 3.527 7.881 1.00 21.23 H new ATOM 0 HG2 GLU A 70 15.158 5.780 8.618 1.00 20.32 H new ATOM 0 HG3 GLU A 70 13.647 6.466 8.054 1.00 20.32 H new ATOM 1187 N LYS A 71 14.404 7.083 5.617 1.00 41.31 N ATOM 1188 CA LYS A 71 13.867 8.365 5.136 1.00 32.02 C ATOM 1189 C LYS A 71 14.076 8.501 3.616 1.00 73.33 C ATOM 1190 O LYS A 71 13.279 9.129 2.916 1.00 52.45 O ATOM 1191 CB LYS A 71 14.564 9.499 5.927 1.00 4.33 C ATOM 1192 CG LYS A 71 14.332 9.384 7.456 1.00 4.31 C ATOM 1193 CD LYS A 71 15.114 10.428 8.286 1.00 5.45 C ATOM 1194 CE LYS A 71 14.844 10.282 9.794 1.00 31.43 C ATOM 1195 NZ LYS A 71 15.661 11.216 10.609 1.00 23.13 N ATOM 0 H LYS A 71 15.297 7.176 6.101 1.00 41.31 H new ATOM 0 HA LYS A 71 12.792 8.423 5.304 1.00 32.02 H new ATOM 0 HB2 LYS A 71 15.634 9.476 5.722 1.00 4.33 H new ATOM 0 HB3 LYS A 71 14.193 10.463 5.578 1.00 4.33 H new ATOM 0 HG2 LYS A 71 13.267 9.494 7.662 1.00 4.31 H new ATOM 0 HG3 LYS A 71 14.619 8.385 7.783 1.00 4.31 H new ATOM 0 HD2 LYS A 71 16.182 10.317 8.096 1.00 5.45 H new ATOM 0 HD3 LYS A 71 14.835 11.431 7.963 1.00 5.45 H new ATOM 0 HE2 LYS A 71 13.787 10.462 9.990 1.00 31.43 H new ATOM 0 HE3 LYS A 71 15.055 9.257 10.100 1.00 31.43 H new ATOM 0 HZ1 LYS A 71 15.443 11.079 11.617 1.00 23.13 H new ATOM 0 HZ2 LYS A 71 16.671 11.028 10.444 1.00 23.13 H new ATOM 0 HZ3 LYS A 71 15.442 12.196 10.338 1.00 23.13 H new ATOM 1209 N LYS A 72 15.158 7.874 3.130 1.00 11.32 N ATOM 1210 CA LYS A 72 15.466 7.737 1.700 1.00 12.25 C ATOM 1211 C LYS A 72 14.513 6.710 1.054 1.00 54.10 C ATOM 1212 O LYS A 72 13.991 6.930 -0.044 1.00 4.22 O ATOM 1213 CB LYS A 72 16.944 7.278 1.550 1.00 13.45 C ATOM 1214 CG LYS A 72 17.424 7.013 0.101 1.00 42.34 C ATOM 1215 CD LYS A 72 18.843 6.394 0.042 1.00 55.41 C ATOM 1216 CE LYS A 72 19.925 7.273 0.695 1.00 44.41 C ATOM 1217 NZ LYS A 72 21.252 6.602 0.707 1.00 61.03 N ATOM 0 H LYS A 72 15.857 7.440 3.733 1.00 11.32 H new ATOM 0 HA LYS A 72 15.330 8.693 1.195 1.00 12.25 H new ATOM 0 HB2 LYS A 72 17.587 8.038 1.992 1.00 13.45 H new ATOM 0 HB3 LYS A 72 17.082 6.366 2.131 1.00 13.45 H new ATOM 0 HG2 LYS A 72 16.720 6.344 -0.393 1.00 42.34 H new ATOM 0 HG3 LYS A 72 17.418 7.950 -0.456 1.00 42.34 H new ATOM 0 HD2 LYS A 72 18.828 5.423 0.537 1.00 55.41 H new ATOM 0 HD3 LYS A 72 19.110 6.217 -1.000 1.00 55.41 H new ATOM 0 HE2 LYS A 72 20.000 8.217 0.155 1.00 44.41 H new ATOM 0 HE3 LYS A 72 19.630 7.513 1.717 1.00 44.41 H new ATOM 0 HZ1 LYS A 72 21.993 7.293 0.473 1.00 61.03 H new ATOM 0 HZ2 LYS A 72 21.433 6.208 1.652 1.00 61.03 H new ATOM 0 HZ3 LYS A 72 21.260 5.835 0.005 1.00 61.03 H new ATOM 1231 N GLU A 73 14.269 5.597 1.780 1.00 14.13 N ATOM 1232 CA GLU A 73 13.500 4.447 1.264 1.00 72.12 C ATOM 1233 C GLU A 73 11.981 4.694 1.330 1.00 44.55 C ATOM 1234 O GLU A 73 11.231 4.057 0.592 1.00 61.11 O ATOM 1235 CB GLU A 73 13.880 3.155 2.033 1.00 20.04 C ATOM 1236 CG GLU A 73 15.391 2.819 2.025 1.00 13.52 C ATOM 1237 CD GLU A 73 16.002 2.623 0.620 1.00 63.15 C ATOM 1238 OE1 GLU A 73 15.989 1.485 0.100 1.00 44.35 O ATOM 1239 OE2 GLU A 73 16.537 3.596 0.045 1.00 1.51 O ATOM 0 H GLU A 73 14.599 5.472 2.737 1.00 14.13 H new ATOM 0 HA GLU A 73 13.761 4.321 0.213 1.00 72.12 H new ATOM 0 HB2 GLU A 73 13.549 3.253 3.067 1.00 20.04 H new ATOM 0 HB3 GLU A 73 13.333 2.317 1.601 1.00 20.04 H new ATOM 0 HG2 GLU A 73 15.930 3.619 2.532 1.00 13.52 H new ATOM 0 HG3 GLU A 73 15.550 1.910 2.605 1.00 13.52 H new ATOM 1246 N ALA A 74 11.537 5.606 2.221 1.00 44.14 N ATOM 1247 CA ALA A 74 10.121 6.018 2.307 1.00 23.41 C ATOM 1248 C ALA A 74 9.784 6.978 1.157 1.00 34.45 C ATOM 1249 O ALA A 74 8.706 6.905 0.573 1.00 24.42 O ATOM 1250 CB ALA A 74 9.831 6.674 3.667 1.00 43.04 C ATOM 0 H ALA A 74 12.144 6.073 2.895 1.00 44.14 H new ATOM 0 HA ALA A 74 9.491 5.133 2.218 1.00 23.41 H new ATOM 0 HB1 ALA A 74 8.783 6.971 3.712 1.00 43.04 H new ATOM 0 HB2 ALA A 74 10.041 5.963 4.466 1.00 43.04 H new ATOM 0 HB3 ALA A 74 10.463 7.554 3.789 1.00 43.04 H new ATOM 1256 N LYS A 75 10.744 7.887 0.870 1.00 74.24 N ATOM 1257 CA LYS A 75 10.724 8.776 -0.319 1.00 25.14 C ATOM 1258 C LYS A 75 10.643 7.944 -1.618 1.00 33.02 C ATOM 1259 O LYS A 75 9.912 8.273 -2.556 1.00 2.22 O ATOM 1260 CB LYS A 75 12.018 9.630 -0.324 1.00 30.22 C ATOM 1261 CG LYS A 75 12.121 10.696 -1.443 1.00 12.55 C ATOM 1262 CD LYS A 75 13.514 11.373 -1.494 1.00 70.24 C ATOM 1263 CE LYS A 75 13.949 11.992 -0.149 1.00 22.11 C ATOM 1264 NZ LYS A 75 13.004 13.035 0.335 1.00 25.53 N ATOM 0 H LYS A 75 11.563 8.027 1.462 1.00 74.24 H new ATOM 0 HA LYS A 75 9.847 9.422 -0.271 1.00 25.14 H new ATOM 0 HB2 LYS A 75 12.102 10.133 0.639 1.00 30.22 H new ATOM 0 HB3 LYS A 75 12.873 8.959 -0.408 1.00 30.22 H new ATOM 0 HG2 LYS A 75 11.913 10.229 -2.405 1.00 12.55 H new ATOM 0 HG3 LYS A 75 11.357 11.457 -1.286 1.00 12.55 H new ATOM 0 HD2 LYS A 75 14.256 10.636 -1.802 1.00 70.24 H new ATOM 0 HD3 LYS A 75 13.503 12.152 -2.256 1.00 70.24 H new ATOM 0 HE2 LYS A 75 14.029 11.204 0.600 1.00 22.11 H new ATOM 0 HE3 LYS A 75 14.941 12.429 -0.259 1.00 22.11 H new ATOM 0 HZ1 LYS A 75 13.343 13.417 1.241 1.00 25.53 H new ATOM 0 HZ2 LYS A 75 12.946 13.802 -0.365 1.00 25.53 H new ATOM 0 HZ3 LYS A 75 12.062 12.615 0.468 1.00 25.53 H new ATOM 1278 N LYS A 76 11.420 6.852 -1.626 1.00 44.44 N ATOM 1279 CA LYS A 76 11.494 5.888 -2.733 1.00 50.00 C ATOM 1280 C LYS A 76 10.161 5.135 -2.889 1.00 44.25 C ATOM 1281 O LYS A 76 9.625 5.024 -3.993 1.00 23.12 O ATOM 1282 CB LYS A 76 12.656 4.909 -2.441 1.00 43.24 C ATOM 1283 CG LYS A 76 12.890 3.808 -3.494 1.00 44.24 C ATOM 1284 CD LYS A 76 14.162 2.983 -3.191 1.00 50.52 C ATOM 1285 CE LYS A 76 15.440 3.847 -3.181 1.00 33.45 C ATOM 1286 NZ LYS A 76 16.642 3.048 -2.878 1.00 2.32 N ATOM 0 H LYS A 76 12.029 6.609 -0.845 1.00 44.44 H new ATOM 0 HA LYS A 76 11.679 6.409 -3.672 1.00 50.00 H new ATOM 0 HB2 LYS A 76 13.575 5.487 -2.337 1.00 43.24 H new ATOM 0 HB3 LYS A 76 12.470 4.431 -1.479 1.00 43.24 H new ATOM 0 HG2 LYS A 76 12.026 3.145 -3.524 1.00 44.24 H new ATOM 0 HG3 LYS A 76 12.978 4.262 -4.481 1.00 44.24 H new ATOM 0 HD2 LYS A 76 14.051 2.493 -2.224 1.00 50.52 H new ATOM 0 HD3 LYS A 76 14.266 2.195 -3.937 1.00 50.52 H new ATOM 0 HE2 LYS A 76 15.560 4.329 -4.151 1.00 33.45 H new ATOM 0 HE3 LYS A 76 15.336 4.641 -2.441 1.00 33.45 H new ATOM 0 HZ1 LYS A 76 17.454 3.430 -3.403 1.00 2.32 H new ATOM 0 HZ2 LYS A 76 16.839 3.090 -1.858 1.00 2.32 H new ATOM 0 HZ3 LYS A 76 16.482 2.060 -3.159 1.00 2.32 H new ATOM 1300 N PHE A 77 9.613 4.692 -1.737 1.00 72.22 N ATOM 1301 CA PHE A 77 8.378 3.886 -1.656 1.00 22.54 C ATOM 1302 C PHE A 77 7.148 4.767 -1.968 1.00 72.51 C ATOM 1303 O PHE A 77 6.093 4.258 -2.358 1.00 70.31 O ATOM 1304 CB PHE A 77 8.281 3.244 -0.239 1.00 20.33 C ATOM 1305 CG PHE A 77 7.373 2.017 -0.117 1.00 11.43 C ATOM 1306 CD1 PHE A 77 7.743 0.796 -0.701 1.00 50.04 C ATOM 1307 CD2 PHE A 77 6.176 2.059 0.607 1.00 52.21 C ATOM 1308 CE1 PHE A 77 6.949 -0.329 -0.561 1.00 63.44 C ATOM 1309 CE2 PHE A 77 5.382 0.931 0.739 1.00 74.12 C ATOM 1310 CZ PHE A 77 5.768 -0.259 0.157 1.00 14.51 C ATOM 0 H PHE A 77 10.023 4.888 -0.824 1.00 72.22 H new ATOM 0 HA PHE A 77 8.403 3.087 -2.397 1.00 22.54 H new ATOM 0 HB2 PHE A 77 9.284 2.961 0.079 1.00 20.33 H new ATOM 0 HB3 PHE A 77 7.927 4.003 0.458 1.00 20.33 H new ATOM 0 HD1 PHE A 77 8.660 0.733 -1.268 1.00 50.04 H new ATOM 0 HD2 PHE A 77 5.866 2.984 1.070 1.00 52.21 H new ATOM 0 HE1 PHE A 77 7.251 -1.262 -1.013 1.00 63.44 H new ATOM 0 HE2 PHE A 77 4.460 0.983 1.298 1.00 74.12 H new ATOM 0 HZ PHE A 77 5.148 -1.137 0.262 1.00 14.51 H new ATOM 1320 N ALA A 78 7.320 6.097 -1.785 1.00 22.12 N ATOM 1321 CA ALA A 78 6.320 7.107 -2.148 1.00 1.41 C ATOM 1322 C ALA A 78 6.092 7.114 -3.656 1.00 33.25 C ATOM 1323 O ALA A 78 4.951 7.094 -4.118 1.00 4.42 O ATOM 1324 CB ALA A 78 6.746 8.494 -1.646 1.00 2.52 C ATOM 0 H ALA A 78 8.167 6.494 -1.377 1.00 22.12 H new ATOM 0 HA ALA A 78 5.377 6.851 -1.665 1.00 1.41 H new ATOM 0 HB1 ALA A 78 5.991 9.229 -1.925 1.00 2.52 H new ATOM 0 HB2 ALA A 78 6.848 8.473 -0.561 1.00 2.52 H new ATOM 0 HB3 ALA A 78 7.701 8.766 -2.095 1.00 2.52 H new ATOM 1330 N ALA A 79 7.208 7.103 -4.408 1.00 62.53 N ATOM 1331 CA ALA A 79 7.197 7.076 -5.874 1.00 63.01 C ATOM 1332 C ALA A 79 6.714 5.712 -6.412 1.00 54.15 C ATOM 1333 O ALA A 79 6.044 5.651 -7.446 1.00 5.21 O ATOM 1334 CB ALA A 79 8.593 7.421 -6.399 1.00 33.51 C ATOM 0 H ALA A 79 8.146 7.113 -4.008 1.00 62.53 H new ATOM 0 HA ALA A 79 6.489 7.823 -6.234 1.00 63.01 H new ATOM 0 HB1 ALA A 79 8.587 7.401 -7.489 1.00 33.51 H new ATOM 0 HB2 ALA A 79 8.875 8.416 -6.055 1.00 33.51 H new ATOM 0 HB3 ALA A 79 9.312 6.691 -6.027 1.00 33.51 H new ATOM 1340 N ILE A 80 7.066 4.629 -5.692 1.00 2.51 N ATOM 1341 CA ILE A 80 6.641 3.254 -6.022 1.00 72.22 C ATOM 1342 C ILE A 80 5.115 3.113 -5.954 1.00 24.20 C ATOM 1343 O ILE A 80 4.485 2.715 -6.938 1.00 34.31 O ATOM 1344 CB ILE A 80 7.358 2.202 -5.088 1.00 62.12 C ATOM 1345 CG1 ILE A 80 8.886 2.187 -5.383 1.00 1.00 C ATOM 1346 CG2 ILE A 80 6.765 0.777 -5.223 1.00 72.20 C ATOM 1347 CD1 ILE A 80 9.239 1.890 -6.836 1.00 13.14 C ATOM 0 H ILE A 80 7.656 4.683 -4.862 1.00 2.51 H new ATOM 0 HA ILE A 80 6.943 3.047 -7.049 1.00 72.22 H new ATOM 0 HB ILE A 80 7.186 2.514 -4.058 1.00 62.12 H new ATOM 0 HG12 ILE A 80 9.307 3.154 -5.109 1.00 1.00 H new ATOM 0 HG13 ILE A 80 9.360 1.441 -4.746 1.00 1.00 H new ATOM 0 HG21 ILE A 80 7.297 0.097 -4.558 1.00 72.20 H new ATOM 0 HG22 ILE A 80 5.709 0.795 -4.954 1.00 72.20 H new ATOM 0 HG23 ILE A 80 6.871 0.435 -6.252 1.00 72.20 H new ATOM 0 HD11 ILE A 80 10.322 1.898 -6.956 1.00 13.14 H new ATOM 0 HD12 ILE A 80 8.851 0.910 -7.112 1.00 13.14 H new ATOM 0 HD13 ILE A 80 8.797 2.650 -7.480 1.00 13.14 H new ATOM 1359 N LEU A 81 4.528 3.478 -4.802 1.00 75.23 N ATOM 1360 CA LEU A 81 3.070 3.436 -4.608 1.00 52.44 C ATOM 1361 C LEU A 81 2.350 4.486 -5.486 1.00 22.21 C ATOM 1362 O LEU A 81 1.210 4.267 -5.871 1.00 74.54 O ATOM 1363 CB LEU A 81 2.695 3.577 -3.098 1.00 51.23 C ATOM 1364 CG LEU A 81 2.703 2.246 -2.265 1.00 54.02 C ATOM 1365 CD1 LEU A 81 2.398 2.503 -0.774 1.00 52.31 C ATOM 1366 CD2 LEU A 81 1.706 1.217 -2.856 1.00 4.53 C ATOM 0 H LEU A 81 5.045 3.807 -3.987 1.00 75.23 H new ATOM 0 HA LEU A 81 2.720 2.457 -4.936 1.00 52.44 H new ATOM 0 HB2 LEU A 81 3.389 4.278 -2.634 1.00 51.23 H new ATOM 0 HB3 LEU A 81 1.702 4.020 -3.030 1.00 51.23 H new ATOM 0 HG LEU A 81 3.708 1.830 -2.329 1.00 54.02 H new ATOM 0 HD11 LEU A 81 2.413 1.558 -0.231 1.00 52.31 H new ATOM 0 HD12 LEU A 81 3.152 3.172 -0.358 1.00 52.31 H new ATOM 0 HD13 LEU A 81 1.414 2.961 -0.678 1.00 52.31 H new ATOM 0 HD21 LEU A 81 1.730 0.304 -2.261 1.00 4.53 H new ATOM 0 HD22 LEU A 81 0.699 1.635 -2.839 1.00 4.53 H new ATOM 0 HD23 LEU A 81 1.986 0.988 -3.884 1.00 4.53 H new ATOM 1378 N ASN A 82 3.045 5.592 -5.829 1.00 14.04 N ATOM 1379 CA ASN A 82 2.517 6.625 -6.755 1.00 54.34 C ATOM 1380 C ASN A 82 2.254 6.005 -8.148 1.00 0.44 C ATOM 1381 O ASN A 82 1.271 6.345 -8.814 1.00 12.22 O ATOM 1382 CB ASN A 82 3.511 7.816 -6.836 1.00 63.05 C ATOM 1383 CG ASN A 82 3.108 8.905 -7.832 1.00 41.54 C ATOM 1384 OD1 ASN A 82 2.325 9.802 -7.516 1.00 15.51 O ATOM 1385 ND2 ASN A 82 3.672 8.859 -9.032 1.00 54.35 N ATOM 0 H ASN A 82 3.980 5.796 -5.477 1.00 14.04 H new ATOM 0 HA ASN A 82 1.568 7.004 -6.377 1.00 54.34 H new ATOM 0 HB2 ASN A 82 3.606 8.262 -5.846 1.00 63.05 H new ATOM 0 HB3 ASN A 82 4.495 7.435 -7.110 1.00 63.05 H new ATOM 0 HD21 ASN A 82 3.461 9.579 -9.723 1.00 54.35 H new ATOM 0 HD22 ASN A 82 4.317 8.103 -9.264 1.00 54.35 H new ATOM 1392 N LYS A 83 3.150 5.082 -8.562 1.00 34.53 N ATOM 1393 CA LYS A 83 2.968 4.272 -9.784 1.00 53.01 C ATOM 1394 C LYS A 83 1.814 3.264 -9.610 1.00 25.31 C ATOM 1395 O LYS A 83 0.926 3.190 -10.458 1.00 33.31 O ATOM 1396 CB LYS A 83 4.278 3.514 -10.142 1.00 34.14 C ATOM 1397 CG LYS A 83 5.483 4.423 -10.478 1.00 4.23 C ATOM 1398 CD LYS A 83 5.341 5.230 -11.802 1.00 51.01 C ATOM 1399 CE LYS A 83 5.446 4.359 -13.082 1.00 11.11 C ATOM 1400 NZ LYS A 83 4.198 3.602 -13.395 1.00 0.45 N ATOM 0 H LYS A 83 4.015 4.879 -8.061 1.00 34.53 H new ATOM 0 HA LYS A 83 2.719 4.952 -10.598 1.00 53.01 H new ATOM 0 HB2 LYS A 83 4.549 2.870 -9.305 1.00 34.14 H new ATOM 0 HB3 LYS A 83 4.083 2.863 -10.994 1.00 34.14 H new ATOM 0 HG2 LYS A 83 5.633 5.123 -9.656 1.00 4.23 H new ATOM 0 HG3 LYS A 83 6.380 3.806 -10.539 1.00 4.23 H new ATOM 0 HD2 LYS A 83 4.380 5.744 -11.802 1.00 51.01 H new ATOM 0 HD3 LYS A 83 6.113 5.998 -11.833 1.00 51.01 H new ATOM 0 HE2 LYS A 83 5.694 5.000 -13.928 1.00 11.11 H new ATOM 0 HE3 LYS A 83 6.269 3.654 -12.965 1.00 11.11 H new ATOM 0 HZ1 LYS A 83 4.050 3.588 -14.424 1.00 0.45 H new ATOM 0 HZ2 LYS A 83 4.286 2.627 -13.044 1.00 0.45 H new ATOM 0 HZ3 LYS A 83 3.387 4.063 -12.935 1.00 0.45 H new ATOM 1414 N VAL A 84 1.817 2.545 -8.462 1.00 63.25 N ATOM 1415 CA VAL A 84 0.892 1.423 -8.193 1.00 53.43 C ATOM 1416 C VAL A 84 -0.579 1.898 -8.213 1.00 14.14 C ATOM 1417 O VAL A 84 -1.380 1.394 -9.004 1.00 40.02 O ATOM 1418 CB VAL A 84 1.238 0.729 -6.809 1.00 70.01 C ATOM 1419 CG1 VAL A 84 0.178 -0.317 -6.391 1.00 53.20 C ATOM 1420 CG2 VAL A 84 2.646 0.081 -6.843 1.00 31.24 C ATOM 0 H VAL A 84 2.464 2.729 -7.695 1.00 63.25 H new ATOM 0 HA VAL A 84 1.018 0.687 -8.987 1.00 53.43 H new ATOM 0 HB VAL A 84 1.232 1.519 -6.058 1.00 70.01 H new ATOM 0 HG11 VAL A 84 0.462 -0.762 -5.438 1.00 53.20 H new ATOM 0 HG12 VAL A 84 -0.792 0.169 -6.290 1.00 53.20 H new ATOM 0 HG13 VAL A 84 0.116 -1.096 -7.151 1.00 53.20 H new ATOM 0 HG21 VAL A 84 2.855 -0.387 -5.881 1.00 31.24 H new ATOM 0 HG22 VAL A 84 2.680 -0.674 -7.628 1.00 31.24 H new ATOM 0 HG23 VAL A 84 3.395 0.847 -7.044 1.00 31.24 H new ATOM 1430 N PHE A 85 -0.879 2.908 -7.369 1.00 32.51 N ATOM 1431 CA PHE A 85 -2.229 3.500 -7.242 1.00 43.10 C ATOM 1432 C PHE A 85 -2.749 4.021 -8.594 1.00 74.35 C ATOM 1433 O PHE A 85 -3.890 3.741 -8.966 1.00 74.15 O ATOM 1434 CB PHE A 85 -2.248 4.635 -6.174 1.00 1.44 C ATOM 1435 CG PHE A 85 -2.018 4.147 -4.738 1.00 72.42 C ATOM 1436 CD1 PHE A 85 -2.811 3.136 -4.193 1.00 15.02 C ATOM 1437 CD2 PHE A 85 -1.024 4.701 -3.930 1.00 54.11 C ATOM 1438 CE1 PHE A 85 -2.610 2.697 -2.898 1.00 14.13 C ATOM 1439 CE2 PHE A 85 -0.826 4.261 -2.641 1.00 42.25 C ATOM 1440 CZ PHE A 85 -1.615 3.257 -2.127 1.00 32.45 C ATOM 0 H PHE A 85 -0.189 3.338 -6.753 1.00 32.51 H new ATOM 0 HA PHE A 85 -2.899 2.707 -6.910 1.00 43.10 H new ATOM 0 HB2 PHE A 85 -1.481 5.368 -6.425 1.00 1.44 H new ATOM 0 HB3 PHE A 85 -3.208 5.149 -6.222 1.00 1.44 H new ATOM 0 HD1 PHE A 85 -3.592 2.691 -4.791 1.00 15.02 H new ATOM 0 HD2 PHE A 85 -0.399 5.489 -4.323 1.00 54.11 H new ATOM 0 HE1 PHE A 85 -3.233 1.915 -2.490 1.00 14.13 H new ATOM 0 HE2 PHE A 85 -0.051 4.704 -2.033 1.00 42.25 H new ATOM 0 HZ PHE A 85 -1.454 2.908 -1.118 1.00 32.45 H new ATOM 1450 N ALA A 86 -1.872 4.721 -9.344 1.00 22.21 N ATOM 1451 CA ALA A 86 -2.216 5.304 -10.660 1.00 75.32 C ATOM 1452 C ALA A 86 -2.574 4.209 -11.693 1.00 72.10 C ATOM 1453 O ALA A 86 -3.425 4.423 -12.566 1.00 24.31 O ATOM 1454 CB ALA A 86 -1.057 6.171 -11.171 1.00 32.44 C ATOM 0 H ALA A 86 -0.909 4.898 -9.057 1.00 22.21 H new ATOM 0 HA ALA A 86 -3.098 5.930 -10.530 1.00 75.32 H new ATOM 0 HB1 ALA A 86 -1.320 6.595 -12.140 1.00 32.44 H new ATOM 0 HB2 ALA A 86 -0.865 6.976 -10.462 1.00 32.44 H new ATOM 0 HB3 ALA A 86 -0.162 5.558 -11.274 1.00 32.44 H new ATOM 1460 N GLU A 87 -1.932 3.033 -11.555 1.00 21.14 N ATOM 1461 CA GLU A 87 -2.141 1.868 -12.448 1.00 41.01 C ATOM 1462 C GLU A 87 -3.332 0.998 -11.986 1.00 23.34 C ATOM 1463 O GLU A 87 -3.797 0.133 -12.737 1.00 1.02 O ATOM 1464 CB GLU A 87 -0.834 1.025 -12.524 1.00 41.14 C ATOM 1465 CG GLU A 87 0.333 1.743 -13.240 1.00 2.44 C ATOM 1466 CD GLU A 87 1.651 0.965 -13.170 1.00 3.40 C ATOM 1467 OE1 GLU A 87 1.742 -0.119 -13.783 1.00 41.24 O ATOM 1468 OE2 GLU A 87 2.602 1.417 -12.491 1.00 43.33 O ATOM 0 H GLU A 87 -1.249 2.860 -10.818 1.00 21.14 H new ATOM 0 HA GLU A 87 -2.386 2.240 -13.443 1.00 41.01 H new ATOM 0 HB2 GLU A 87 -0.522 0.765 -11.513 1.00 41.14 H new ATOM 0 HB3 GLU A 87 -1.046 0.090 -13.043 1.00 41.14 H new ATOM 0 HG2 GLU A 87 0.067 1.902 -14.285 1.00 2.44 H new ATOM 0 HG3 GLU A 87 0.475 2.727 -12.794 1.00 2.44 H new ATOM 1475 N LEU A 88 -3.833 1.240 -10.753 1.00 44.33 N ATOM 1476 CA LEU A 88 -4.964 0.472 -10.171 1.00 60.24 C ATOM 1477 C LEU A 88 -6.260 1.314 -10.148 1.00 25.33 C ATOM 1478 O LEU A 88 -7.265 0.899 -9.555 1.00 63.54 O ATOM 1479 CB LEU A 88 -4.612 -0.051 -8.749 1.00 50.31 C ATOM 1480 CG LEU A 88 -3.378 -1.008 -8.633 1.00 70.54 C ATOM 1481 CD1 LEU A 88 -3.277 -1.609 -7.216 1.00 24.34 C ATOM 1482 CD2 LEU A 88 -3.393 -2.116 -9.713 1.00 4.44 C ATOM 0 H LEU A 88 -3.470 1.966 -10.136 1.00 44.33 H new ATOM 0 HA LEU A 88 -5.142 -0.392 -10.811 1.00 60.24 H new ATOM 0 HB2 LEU A 88 -4.435 0.810 -8.105 1.00 50.31 H new ATOM 0 HB3 LEU A 88 -5.484 -0.572 -8.353 1.00 50.31 H new ATOM 0 HG LEU A 88 -2.487 -0.406 -8.811 1.00 70.54 H new ATOM 0 HD11 LEU A 88 -2.412 -2.270 -7.162 1.00 24.34 H new ATOM 0 HD12 LEU A 88 -3.166 -0.806 -6.487 1.00 24.34 H new ATOM 0 HD13 LEU A 88 -4.181 -2.176 -6.996 1.00 24.34 H new ATOM 0 HD21 LEU A 88 -2.518 -2.754 -9.592 1.00 4.44 H new ATOM 0 HD22 LEU A 88 -4.297 -2.716 -9.607 1.00 4.44 H new ATOM 0 HD23 LEU A 88 -3.375 -1.660 -10.703 1.00 4.44 H new ATOM 1494 N GLY A 89 -6.223 2.490 -10.804 1.00 2.32 N ATOM 1495 CA GLY A 89 -7.411 3.337 -10.977 1.00 13.31 C ATOM 1496 C GLY A 89 -7.670 4.296 -9.819 1.00 23.00 C ATOM 1497 O GLY A 89 -8.771 4.847 -9.710 1.00 55.13 O ATOM 0 H GLY A 89 -5.376 2.873 -11.224 1.00 2.32 H new ATOM 0 HA2 GLY A 89 -7.301 3.915 -11.895 1.00 13.31 H new ATOM 0 HA3 GLY A 89 -8.284 2.697 -11.106 1.00 13.31 H new ATOM 1501 N TYR A 90 -6.667 4.491 -8.946 1.00 1.52 N ATOM 1502 CA TYR A 90 -6.730 5.472 -7.847 1.00 20.22 C ATOM 1503 C TYR A 90 -6.084 6.793 -8.276 1.00 72.45 C ATOM 1504 O TYR A 90 -4.994 6.795 -8.865 1.00 13.33 O ATOM 1505 CB TYR A 90 -6.024 4.935 -6.576 1.00 44.13 C ATOM 1506 CG TYR A 90 -6.639 3.643 -6.036 1.00 10.00 C ATOM 1507 CD1 TYR A 90 -7.945 3.636 -5.533 1.00 71.20 C ATOM 1508 CD2 TYR A 90 -5.933 2.432 -6.042 1.00 2.24 C ATOM 1509 CE1 TYR A 90 -8.517 2.478 -5.055 1.00 22.53 C ATOM 1510 CE2 TYR A 90 -6.506 1.273 -5.566 1.00 44.31 C ATOM 1511 CZ TYR A 90 -7.795 1.304 -5.075 1.00 32.53 C ATOM 1512 OH TYR A 90 -8.368 0.154 -4.610 1.00 53.42 O ATOM 0 H TYR A 90 -5.789 3.973 -8.982 1.00 1.52 H new ATOM 0 HA TYR A 90 -7.781 5.643 -7.612 1.00 20.22 H new ATOM 0 HB2 TYR A 90 -4.972 4.761 -6.801 1.00 44.13 H new ATOM 0 HB3 TYR A 90 -6.062 5.698 -5.799 1.00 44.13 H new ATOM 0 HD1 TYR A 90 -8.514 4.554 -5.519 1.00 71.20 H new ATOM 0 HD2 TYR A 90 -4.924 2.407 -6.426 1.00 2.24 H new ATOM 0 HE1 TYR A 90 -9.525 2.490 -4.667 1.00 22.53 H new ATOM 0 HE2 TYR A 90 -5.950 0.347 -5.577 1.00 44.31 H new ATOM 0 HH TYR A 90 -8.528 -0.458 -5.359 1.00 53.42 H new ATOM 1522 N ASN A 91 -6.765 7.898 -7.969 1.00 0.13 N ATOM 1523 CA ASN A 91 -6.299 9.264 -8.270 1.00 33.43 C ATOM 1524 C ASN A 91 -5.436 9.769 -7.096 1.00 34.53 C ATOM 1525 O ASN A 91 -5.508 9.222 -5.984 1.00 61.01 O ATOM 1526 CB ASN A 91 -7.533 10.192 -8.499 1.00 32.33 C ATOM 1527 CG ASN A 91 -7.180 11.604 -8.997 1.00 65.42 C ATOM 1528 OD1 ASN A 91 -6.973 12.527 -8.217 1.00 34.43 O ATOM 1529 ND2 ASN A 91 -7.101 11.779 -10.301 1.00 73.40 N ATOM 0 H ASN A 91 -7.669 7.875 -7.498 1.00 0.13 H new ATOM 0 HA ASN A 91 -5.693 9.269 -9.176 1.00 33.43 H new ATOM 0 HB2 ASN A 91 -8.198 9.720 -9.222 1.00 32.33 H new ATOM 0 HB3 ASN A 91 -8.087 10.277 -7.564 1.00 32.33 H new ATOM 0 HD21 ASN A 91 -6.864 12.696 -10.679 1.00 73.40 H new ATOM 0 HD22 ASN A 91 -7.277 10.997 -10.932 1.00 73.40 H new ATOM 1536 N ASP A 92 -4.634 10.820 -7.350 1.00 52.41 N ATOM 1537 CA ASP A 92 -3.787 11.470 -6.327 1.00 32.45 C ATOM 1538 C ASP A 92 -4.629 12.058 -5.169 1.00 11.31 C ATOM 1539 O ASP A 92 -4.165 12.137 -4.030 1.00 43.35 O ATOM 1540 CB ASP A 92 -2.914 12.570 -6.984 1.00 22.41 C ATOM 1541 CG ASP A 92 -2.012 13.299 -5.968 1.00 41.12 C ATOM 1542 OD1 ASP A 92 -1.049 12.672 -5.468 1.00 14.41 O ATOM 1543 OD2 ASP A 92 -2.262 14.487 -5.661 1.00 64.00 O ATOM 0 H ASP A 92 -4.554 11.245 -8.274 1.00 52.41 H new ATOM 0 HA ASP A 92 -3.138 10.708 -5.896 1.00 32.45 H new ATOM 0 HB2 ASP A 92 -2.293 12.121 -7.759 1.00 22.41 H new ATOM 0 HB3 ASP A 92 -3.561 13.296 -7.476 1.00 22.41 H new ATOM 1548 N SER A 93 -5.880 12.436 -5.488 1.00 60.22 N ATOM 1549 CA SER A 93 -6.852 12.970 -4.521 1.00 72.25 C ATOM 1550 C SER A 93 -7.138 11.959 -3.391 1.00 55.22 C ATOM 1551 O SER A 93 -7.419 12.350 -2.253 1.00 11.30 O ATOM 1552 CB SER A 93 -8.160 13.350 -5.246 1.00 25.13 C ATOM 1553 OG SER A 93 -9.094 13.919 -4.355 1.00 74.03 O ATOM 0 H SER A 93 -6.248 12.378 -6.438 1.00 60.22 H new ATOM 0 HA SER A 93 -6.422 13.862 -4.065 1.00 72.25 H new ATOM 0 HB2 SER A 93 -7.942 14.056 -6.047 1.00 25.13 H new ATOM 0 HB3 SER A 93 -8.591 12.463 -5.711 1.00 25.13 H new ATOM 0 HG SER A 93 -9.912 14.151 -4.843 1.00 74.03 H new ATOM 1559 N ASN A 94 -7.062 10.655 -3.723 1.00 35.04 N ATOM 1560 CA ASN A 94 -7.269 9.569 -2.751 1.00 2.54 C ATOM 1561 C ASN A 94 -6.039 9.400 -1.842 1.00 1.12 C ATOM 1562 O ASN A 94 -6.175 9.102 -0.662 1.00 0.40 O ATOM 1563 CB ASN A 94 -7.586 8.222 -3.462 1.00 11.34 C ATOM 1564 CG ASN A 94 -8.739 8.330 -4.461 1.00 34.12 C ATOM 1565 OD1 ASN A 94 -8.524 8.443 -5.667 1.00 64.44 O ATOM 1566 ND2 ASN A 94 -9.971 8.377 -3.970 1.00 71.05 N ATOM 0 H ASN A 94 -6.857 10.329 -4.667 1.00 35.04 H new ATOM 0 HA ASN A 94 -8.126 9.846 -2.138 1.00 2.54 H new ATOM 0 HB2 ASN A 94 -6.694 7.873 -3.982 1.00 11.34 H new ATOM 0 HB3 ASN A 94 -7.832 7.471 -2.712 1.00 11.34 H new ATOM 0 HD21 ASN A 94 -10.765 8.509 -4.596 1.00 71.05 H new ATOM 0 HD22 ASN A 94 -10.124 8.281 -2.966 1.00 71.05 H new ATOM 1573 N VAL A 95 -4.843 9.661 -2.392 1.00 42.15 N ATOM 1574 CA VAL A 95 -3.560 9.259 -1.782 1.00 4.11 C ATOM 1575 C VAL A 95 -2.819 10.476 -1.179 1.00 60.32 C ATOM 1576 O VAL A 95 -2.445 11.398 -1.908 1.00 45.32 O ATOM 1577 CB VAL A 95 -2.659 8.572 -2.878 1.00 33.11 C ATOM 1578 CG1 VAL A 95 -1.337 8.042 -2.278 1.00 13.14 C ATOM 1579 CG2 VAL A 95 -3.434 7.449 -3.615 1.00 51.13 C ATOM 0 H VAL A 95 -4.735 10.159 -3.276 1.00 42.15 H new ATOM 0 HA VAL A 95 -3.764 8.558 -0.973 1.00 4.11 H new ATOM 0 HB VAL A 95 -2.398 9.334 -3.612 1.00 33.11 H new ATOM 0 HG11 VAL A 95 -0.742 7.575 -3.063 1.00 13.14 H new ATOM 0 HG12 VAL A 95 -0.777 8.870 -1.843 1.00 13.14 H new ATOM 0 HG13 VAL A 95 -1.558 7.307 -1.504 1.00 13.14 H new ATOM 0 HG21 VAL A 95 -2.788 6.993 -4.365 1.00 51.13 H new ATOM 0 HG22 VAL A 95 -3.747 6.691 -2.897 1.00 51.13 H new ATOM 0 HG23 VAL A 95 -4.313 7.872 -4.102 1.00 51.13 H new ATOM 1589 N THR A 96 -2.625 10.483 0.159 1.00 62.32 N ATOM 1590 CA THR A 96 -1.811 11.508 0.852 1.00 70.03 C ATOM 1591 C THR A 96 -0.716 10.823 1.720 1.00 71.50 C ATOM 1592 O THR A 96 -1.015 9.978 2.573 1.00 23.02 O ATOM 1593 CB THR A 96 -2.707 12.483 1.704 1.00 74.31 C ATOM 1594 OG1 THR A 96 -1.906 13.523 2.282 1.00 11.15 O ATOM 1595 CG2 THR A 96 -3.497 11.779 2.822 1.00 70.13 C ATOM 0 H THR A 96 -3.025 9.784 0.785 1.00 62.32 H new ATOM 0 HA THR A 96 -1.316 12.121 0.099 1.00 70.03 H new ATOM 0 HB THR A 96 -3.435 12.899 1.007 1.00 74.31 H new ATOM 0 HG1 THR A 96 -2.477 14.122 2.807 1.00 11.15 H new ATOM 0 HG21 THR A 96 -4.091 12.514 3.366 1.00 70.13 H new ATOM 0 HG22 THR A 96 -4.158 11.030 2.385 1.00 70.13 H new ATOM 0 HG23 THR A 96 -2.803 11.294 3.508 1.00 70.13 H new ATOM 1603 N TRP A 97 0.558 11.171 1.463 1.00 3.43 N ATOM 1604 CA TRP A 97 1.725 10.582 2.161 1.00 34.53 C ATOM 1605 C TRP A 97 2.118 11.386 3.407 1.00 53.25 C ATOM 1606 O TRP A 97 1.991 12.620 3.429 1.00 1.03 O ATOM 1607 CB TRP A 97 2.945 10.471 1.193 1.00 23.34 C ATOM 1608 CG TRP A 97 2.964 9.189 0.397 1.00 60.44 C ATOM 1609 CD1 TRP A 97 2.409 8.953 -0.832 1.00 61.20 C ATOM 1610 CD2 TRP A 97 3.567 7.958 0.812 1.00 21.45 C ATOM 1611 NE1 TRP A 97 2.624 7.646 -1.195 1.00 12.24 N ATOM 1612 CE2 TRP A 97 3.336 7.018 -0.201 1.00 44.24 C ATOM 1613 CE3 TRP A 97 4.282 7.563 1.958 1.00 34.32 C ATOM 1614 CZ2 TRP A 97 3.793 5.708 -0.111 1.00 14.35 C ATOM 1615 CZ3 TRP A 97 4.735 6.259 2.044 1.00 64.35 C ATOM 1616 CH2 TRP A 97 4.487 5.345 1.013 1.00 53.24 C ATOM 0 H TRP A 97 0.812 11.870 0.765 1.00 3.43 H new ATOM 0 HA TRP A 97 1.432 9.584 2.488 1.00 34.53 H new ATOM 0 HB2 TRP A 97 2.932 11.317 0.505 1.00 23.34 H new ATOM 0 HB3 TRP A 97 3.866 10.545 1.771 1.00 23.34 H new ATOM 0 HD1 TRP A 97 1.882 9.684 -1.426 1.00 61.20 H new ATOM 0 HE1 TRP A 97 2.307 7.212 -2.062 1.00 12.24 H new ATOM 0 HE3 TRP A 97 4.473 8.265 2.756 1.00 34.32 H new ATOM 0 HZ2 TRP A 97 3.607 4.998 -0.903 1.00 14.35 H new ATOM 0 HZ3 TRP A 97 5.287 5.942 2.917 1.00 64.35 H new ATOM 0 HH2 TRP A 97 4.850 4.332 1.106 1.00 53.24 H new ATOM 1627 N ASP A 98 2.600 10.660 4.431 1.00 12.52 N ATOM 1628 CA ASP A 98 3.180 11.246 5.646 1.00 51.53 C ATOM 1629 C ASP A 98 4.209 10.259 6.243 1.00 51.14 C ATOM 1630 O ASP A 98 3.932 9.541 7.215 1.00 24.12 O ATOM 1631 CB ASP A 98 2.066 11.629 6.666 1.00 24.31 C ATOM 1632 CG ASP A 98 2.586 12.381 7.910 1.00 3.33 C ATOM 1633 OD1 ASP A 98 3.281 13.410 7.746 1.00 11.20 O ATOM 1634 OD2 ASP A 98 2.282 11.969 9.052 1.00 41.32 O ATOM 0 H ASP A 98 2.596 9.640 4.436 1.00 12.52 H new ATOM 0 HA ASP A 98 3.699 12.171 5.397 1.00 51.53 H new ATOM 0 HB2 ASP A 98 1.324 12.249 6.163 1.00 24.31 H new ATOM 0 HB3 ASP A 98 1.556 10.722 6.989 1.00 24.31 H new ATOM 1639 N GLY A 99 5.372 10.181 5.558 1.00 32.34 N ATOM 1640 CA GLY A 99 6.541 9.422 6.009 1.00 20.33 C ATOM 1641 C GLY A 99 6.305 7.913 6.161 1.00 11.13 C ATOM 1642 O GLY A 99 6.428 7.156 5.191 1.00 3.33 O ATOM 0 H GLY A 99 5.518 10.653 4.666 1.00 32.34 H new ATOM 0 HA2 GLY A 99 7.355 9.579 5.301 1.00 20.33 H new ATOM 0 HA3 GLY A 99 6.870 9.823 6.968 1.00 20.33 H new ATOM 1646 N ASP A 100 5.948 7.503 7.397 1.00 52.21 N ATOM 1647 CA ASP A 100 5.740 6.090 7.793 1.00 64.41 C ATOM 1648 C ASP A 100 4.486 5.505 7.129 1.00 44.44 C ATOM 1649 O ASP A 100 4.503 4.379 6.616 1.00 63.03 O ATOM 1650 CB ASP A 100 5.604 6.001 9.345 1.00 14.42 C ATOM 1651 CG ASP A 100 5.327 4.575 9.873 1.00 75.52 C ATOM 1652 OD1 ASP A 100 6.291 3.807 10.066 1.00 41.12 O ATOM 1653 OD2 ASP A 100 4.151 4.229 10.135 1.00 5.33 O ATOM 0 H ASP A 100 5.793 8.157 8.164 1.00 52.21 H new ATOM 0 HA ASP A 100 6.601 5.509 7.461 1.00 64.41 H new ATOM 0 HB2 ASP A 100 6.521 6.374 9.801 1.00 14.42 H new ATOM 0 HB3 ASP A 100 4.797 6.659 9.667 1.00 14.42 H new ATOM 1658 N THR A 101 3.405 6.302 7.139 1.00 64.25 N ATOM 1659 CA THR A 101 2.069 5.864 6.719 1.00 52.03 C ATOM 1660 C THR A 101 1.566 6.742 5.563 1.00 12.33 C ATOM 1661 O THR A 101 1.773 7.957 5.558 1.00 33.13 O ATOM 1662 CB THR A 101 1.055 5.949 7.917 1.00 41.12 C ATOM 1663 OG1 THR A 101 1.619 5.329 9.083 1.00 71.43 O ATOM 1664 CG2 THR A 101 -0.299 5.278 7.591 1.00 34.44 C ATOM 0 H THR A 101 3.437 7.276 7.442 1.00 64.25 H new ATOM 0 HA THR A 101 2.139 4.828 6.387 1.00 52.03 H new ATOM 0 HB THR A 101 0.869 7.007 8.102 1.00 41.12 H new ATOM 0 HG1 THR A 101 1.057 5.525 9.862 1.00 71.43 H new ATOM 0 HG21 THR A 101 -0.964 5.364 8.450 1.00 34.44 H new ATOM 0 HG22 THR A 101 -0.752 5.771 6.731 1.00 34.44 H new ATOM 0 HG23 THR A 101 -0.137 4.225 7.361 1.00 34.44 H new ATOM 1672 N VAL A 102 0.916 6.104 4.584 1.00 13.41 N ATOM 1673 CA VAL A 102 0.131 6.789 3.557 1.00 60.55 C ATOM 1674 C VAL A 102 -1.367 6.555 3.845 1.00 11.51 C ATOM 1675 O VAL A 102 -1.802 5.413 4.046 1.00 23.32 O ATOM 1676 CB VAL A 102 0.517 6.322 2.101 1.00 3.34 C ATOM 1677 CG1 VAL A 102 0.397 4.793 1.907 1.00 11.35 C ATOM 1678 CG2 VAL A 102 -0.298 7.089 1.037 1.00 21.42 C ATOM 0 H VAL A 102 0.921 5.089 4.483 1.00 13.41 H new ATOM 0 HA VAL A 102 0.351 7.856 3.597 1.00 60.55 H new ATOM 0 HB VAL A 102 1.571 6.565 1.966 1.00 3.34 H new ATOM 0 HG11 VAL A 102 0.676 4.533 0.886 1.00 11.35 H new ATOM 0 HG12 VAL A 102 1.062 4.284 2.605 1.00 11.35 H new ATOM 0 HG13 VAL A 102 -0.631 4.482 2.093 1.00 11.35 H new ATOM 0 HG21 VAL A 102 -0.011 6.747 0.043 1.00 21.42 H new ATOM 0 HG22 VAL A 102 -1.361 6.906 1.191 1.00 21.42 H new ATOM 0 HG23 VAL A 102 -0.097 8.157 1.125 1.00 21.42 H new ATOM 1688 N THR A 103 -2.134 7.651 3.924 1.00 72.11 N ATOM 1689 CA THR A 103 -3.577 7.609 4.135 1.00 31.12 C ATOM 1690 C THR A 103 -4.258 7.711 2.765 1.00 31.44 C ATOM 1691 O THR A 103 -4.272 8.776 2.139 1.00 65.22 O ATOM 1692 CB THR A 103 -4.046 8.773 5.068 1.00 3.42 C ATOM 1693 OG1 THR A 103 -3.284 8.750 6.285 1.00 35.50 O ATOM 1694 CG2 THR A 103 -5.552 8.682 5.397 1.00 42.23 C ATOM 0 H THR A 103 -1.762 8.597 3.842 1.00 72.11 H new ATOM 0 HA THR A 103 -3.850 6.675 4.626 1.00 31.12 H new ATOM 0 HB THR A 103 -3.880 9.711 4.537 1.00 3.42 H new ATOM 0 HG1 THR A 103 -3.577 9.481 6.868 1.00 35.50 H new ATOM 0 HG21 THR A 103 -5.833 9.510 6.047 1.00 42.23 H new ATOM 0 HG22 THR A 103 -6.130 8.733 4.474 1.00 42.23 H new ATOM 0 HG23 THR A 103 -5.758 7.738 5.902 1.00 42.23 H new ATOM 1702 N VAL A 104 -4.756 6.579 2.278 1.00 63.02 N ATOM 1703 CA VAL A 104 -5.469 6.499 1.003 1.00 21.23 C ATOM 1704 C VAL A 104 -6.952 6.343 1.313 1.00 21.33 C ATOM 1705 O VAL A 104 -7.352 5.321 1.844 1.00 65.32 O ATOM 1706 CB VAL A 104 -4.961 5.284 0.140 1.00 3.54 C ATOM 1707 CG1 VAL A 104 -5.678 5.211 -1.236 1.00 24.03 C ATOM 1708 CG2 VAL A 104 -3.430 5.349 -0.021 1.00 75.04 C ATOM 0 H VAL A 104 -4.677 5.683 2.759 1.00 63.02 H new ATOM 0 HA VAL A 104 -5.288 7.403 0.422 1.00 21.23 H new ATOM 0 HB VAL A 104 -5.212 4.365 0.670 1.00 3.54 H new ATOM 0 HG11 VAL A 104 -5.298 4.359 -1.799 1.00 24.03 H new ATOM 0 HG12 VAL A 104 -6.751 5.095 -1.082 1.00 24.03 H new ATOM 0 HG13 VAL A 104 -5.489 6.128 -1.794 1.00 24.03 H new ATOM 0 HG21 VAL A 104 -3.091 4.504 -0.620 1.00 75.04 H new ATOM 0 HG22 VAL A 104 -3.156 6.279 -0.519 1.00 75.04 H new ATOM 0 HG23 VAL A 104 -2.959 5.310 0.961 1.00 75.04 H new ATOM 1718 N GLU A 105 -7.764 7.358 1.034 1.00 4.24 N ATOM 1719 CA GLU A 105 -9.222 7.262 1.161 1.00 13.24 C ATOM 1720 C GLU A 105 -9.811 7.278 -0.241 1.00 31.21 C ATOM 1721 O GLU A 105 -9.761 8.306 -0.925 1.00 0.11 O ATOM 1722 CB GLU A 105 -9.785 8.421 2.021 1.00 62.43 C ATOM 1723 CG GLU A 105 -9.317 8.418 3.485 1.00 24.13 C ATOM 1724 CD GLU A 105 -10.036 9.473 4.332 1.00 63.14 C ATOM 1725 OE1 GLU A 105 -9.627 10.652 4.297 1.00 73.34 O ATOM 1726 OE2 GLU A 105 -11.032 9.138 5.010 1.00 53.34 O ATOM 0 H GLU A 105 -7.435 8.269 0.714 1.00 4.24 H new ATOM 0 HA GLU A 105 -9.495 6.337 1.670 1.00 13.24 H new ATOM 0 HB2 GLU A 105 -9.498 9.368 1.564 1.00 62.43 H new ATOM 0 HB3 GLU A 105 -10.874 8.375 2.001 1.00 62.43 H new ATOM 0 HG2 GLU A 105 -9.489 7.432 3.916 1.00 24.13 H new ATOM 0 HG3 GLU A 105 -8.243 8.599 3.520 1.00 24.13 H new ATOM 1733 N GLY A 106 -10.350 6.127 -0.673 1.00 13.34 N ATOM 1734 CA GLY A 106 -10.938 5.981 -1.995 1.00 4.21 C ATOM 1735 C GLY A 106 -12.405 5.623 -1.911 1.00 11.45 C ATOM 1736 O GLY A 106 -12.790 4.764 -1.114 1.00 71.52 O ATOM 0 H GLY A 106 -10.386 5.278 -0.109 1.00 13.34 H new ATOM 0 HA2 GLY A 106 -10.820 6.911 -2.552 1.00 4.21 H new ATOM 0 HA3 GLY A 106 -10.405 5.208 -2.549 1.00 4.21 H new ATOM 1740 N GLN A 107 -13.227 6.288 -2.727 1.00 65.33 N ATOM 1741 CA GLN A 107 -14.646 5.945 -2.888 1.00 51.43 C ATOM 1742 C GLN A 107 -14.739 4.728 -3.826 1.00 62.10 C ATOM 1743 O GLN A 107 -13.953 4.620 -4.779 1.00 43.41 O ATOM 1744 CB GLN A 107 -15.478 7.168 -3.436 1.00 23.02 C ATOM 1745 CG GLN A 107 -15.291 7.516 -4.937 1.00 52.12 C ATOM 1746 CD GLN A 107 -13.867 7.959 -5.334 1.00 4.11 C ATOM 1747 OE1 GLN A 107 -13.143 8.609 -4.575 1.00 11.23 O ATOM 1748 NE2 GLN A 107 -13.432 7.570 -6.516 1.00 64.25 N ATOM 0 H GLN A 107 -12.929 7.080 -3.296 1.00 65.33 H new ATOM 0 HA GLN A 107 -15.079 5.695 -1.919 1.00 51.43 H new ATOM 0 HB2 GLN A 107 -16.535 6.967 -3.262 1.00 23.02 H new ATOM 0 HB3 GLN A 107 -15.219 8.048 -2.847 1.00 23.02 H new ATOM 0 HG2 GLN A 107 -15.563 6.645 -5.533 1.00 52.12 H new ATOM 0 HG3 GLN A 107 -15.989 8.311 -5.199 1.00 52.12 H new ATOM 0 HE21 GLN A 107 -14.042 7.033 -7.133 1.00 64.25 H new ATOM 0 HE22 GLN A 107 -12.485 7.806 -6.814 1.00 64.25 H new