USER MOD reduce.3.24.130724 H: found=0, std=0, add=826, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 827 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 63 TYR OH : rot 180:sc= -0.459 USER MOD Set 1.2: A 70 TYR OH : rot -115:sc= -0.224 USER MOD Single : A 9 MET CE :methyl 161:sc= -0.142 (180deg=-0.583) USER MOD Single : A 12 GLN : amide:sc= -8.14! C(o=-8.1!,f=-2.4!) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0.0198 USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot 180:sc= 0.0548 USER MOD Single : A 35 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.0391) USER MOD Single : A 40 LYS NZ :NH3+ 166:sc= 1.19 (180deg=0.957) USER MOD Single : A 43 LYS NZ :NH3+ -162:sc= -0.485 (180deg=-0.891) USER MOD Single : A 45 LYS NZ :NH3+ -136:sc= 0.0841 (180deg=-1.49!) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 GLN : amide:sc= -1.04 X(o=-1,f=-1.2) USER MOD Single : A 56 HIS : no HD1:sc= -0.202 K(o=-0.2,f=-0.79) USER MOD Single : A 58 GLN : amide:sc= -1.65 X(o=-1.7,f=-1.3) USER MOD Single : A 60 HIS : no HD1:sc= -1.52 K(o=-1.5,f=-0.33) USER MOD Single : A 62 SER OG : rot 141:sc= 0.204 USER MOD Single : A 67 SER OG : rot -32:sc= 0.0144 USER MOD Single : A 68 LYS NZ :NH3+ -125:sc= -0.503 (180deg=-1.42!) USER MOD Single : A 75 HIS : no HD1:sc= -0.899 K(o=-0.9,f=0.25) USER MOD Single : A 77 THR OG1 : rot 78:sc= 0.0394 USER MOD Single : A 80 GLN : amide:sc= -4.83! K(o=-4.8!,f=-0.71) USER MOD Single : A 84 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 TYR OH : rot 15:sc= -0.881 USER MOD Single : A 89 CYS SG : rot 111:sc= 2.06 USER MOD Single : A 92 SER OG : rot -58:sc= 0.201 USER MOD Single : A 93 THR OG1 : rot -57:sc= -1.32 USER MOD Single : A 94 LYS NZ :NH3+ -125:sc= -5.87! (180deg=-7.13!) USER MOD Single : A 96 LYS NZ :NH3+ 178:sc= 0.348 (180deg=0.348) USER MOD Single : A 99 CYS SG : rot -4:sc= -1.88! USER MOD Single : A 100 SER OG : rot -150:sc= -2.91! USER MOD Single : A 101 ASN : amide:sc= -1.15! C(o=-1.1!,f=-3.4!) USER MOD Single : A 103 ASN : amide:sc= -0.246 X(o=-0.25,f=-0.39) USER MOD Single : A 105 THR OG1 : rot 180:sc= 0 USER MOD Single : A 107 HIS : no HD1:sc= -0.521 K(o=-0.52,f=-4.7!) USER MOD ----------------------------------------------------------------- ATOM 13 N ASP A 2 -19.571 -8.774 -1.316 1.00 0.70 N ATOM 14 CA ASP A 2 -20.485 -8.119 -2.223 1.00 0.72 C ATOM 15 C ASP A 2 -19.664 -7.414 -3.308 1.00 0.70 C ATOM 16 O ASP A 2 -18.503 -7.067 -3.055 1.00 0.75 O ATOM 17 CB ASP A 2 -21.296 -7.128 -1.398 1.00 0.79 C ATOM 18 CG ASP A 2 -22.213 -6.232 -2.215 1.00 1.04 C ATOM 19 OD1 ASP A 2 -23.260 -6.719 -2.675 1.00 1.11 O ATOM 20 OD2 ASP A 2 -21.897 -5.039 -2.369 1.00 1.65 O ATOM 0 HA ASP A 2 -21.162 -8.818 -2.714 1.00 0.72 H new ATOM 0 HB2 ASP A 2 -21.897 -7.681 -0.676 1.00 0.79 H new ATOM 0 HB3 ASP A 2 -20.610 -6.502 -0.828 1.00 0.79 H new ATOM 25 N PRO A 3 -20.200 -7.253 -4.531 1.00 0.71 N ATOM 26 CA PRO A 3 -19.509 -6.561 -5.638 1.00 0.72 C ATOM 27 C PRO A 3 -19.206 -5.080 -5.370 1.00 0.66 C ATOM 28 O PRO A 3 -19.637 -4.194 -6.107 1.00 0.97 O ATOM 29 CB PRO A 3 -20.476 -6.701 -6.816 1.00 0.84 C ATOM 30 CG PRO A 3 -21.347 -7.850 -6.459 1.00 0.94 C ATOM 31 CD PRO A 3 -21.502 -7.786 -4.967 1.00 0.81 C ATOM 0 HA PRO A 3 -18.526 -7.002 -5.806 1.00 0.72 H new ATOM 0 HB2 PRO A 3 -21.060 -5.792 -6.958 1.00 0.84 H new ATOM 0 HB3 PRO A 3 -19.941 -6.885 -7.747 1.00 0.84 H new ATOM 0 HG2 PRO A 3 -22.314 -7.780 -6.958 1.00 0.94 H new ATOM 0 HG3 PRO A 3 -20.897 -8.794 -6.767 1.00 0.94 H new ATOM 0 HD2 PRO A 3 -22.325 -7.135 -4.673 1.00 0.81 H new ATOM 0 HD3 PRO A 3 -21.702 -8.768 -4.538 1.00 0.81 H new ATOM 39 N ILE A 4 -18.464 -4.829 -4.306 1.00 0.45 N ATOM 40 CA ILE A 4 -17.882 -3.524 -4.049 1.00 0.41 C ATOM 41 C ILE A 4 -16.816 -3.233 -5.087 1.00 0.41 C ATOM 42 O ILE A 4 -16.808 -2.180 -5.729 1.00 0.50 O ATOM 43 CB ILE A 4 -17.247 -3.474 -2.636 1.00 0.36 C ATOM 44 CG1 ILE A 4 -18.266 -3.041 -1.594 1.00 0.42 C ATOM 45 CG2 ILE A 4 -16.035 -2.559 -2.584 1.00 0.33 C ATOM 46 CD1 ILE A 4 -19.339 -4.058 -1.349 1.00 0.46 C ATOM 0 H ILE A 4 -18.248 -5.527 -3.594 1.00 0.45 H new ATOM 0 HA ILE A 4 -18.672 -2.775 -4.104 1.00 0.41 H new ATOM 0 HB ILE A 4 -16.913 -4.486 -2.409 1.00 0.36 H new ATOM 0 HG12 ILE A 4 -17.750 -2.836 -0.656 1.00 0.42 H new ATOM 0 HG13 ILE A 4 -18.728 -2.107 -1.915 1.00 0.42 H new ATOM 0 HG21 ILE A 4 -15.624 -2.556 -1.574 1.00 0.33 H new ATOM 0 HG22 ILE A 4 -15.279 -2.917 -3.283 1.00 0.33 H new ATOM 0 HG23 ILE A 4 -16.332 -1.546 -2.858 1.00 0.33 H new ATOM 0 HD11 ILE A 4 -20.031 -3.683 -0.595 1.00 0.46 H new ATOM 0 HD12 ILE A 4 -19.880 -4.246 -2.276 1.00 0.46 H new ATOM 0 HD13 ILE A 4 -18.888 -4.986 -0.998 1.00 0.46 H new ATOM 58 N GLY A 5 -15.905 -4.180 -5.219 1.00 0.36 N ATOM 59 CA GLY A 5 -14.800 -4.010 -6.131 1.00 0.39 C ATOM 60 C GLY A 5 -13.709 -3.283 -5.414 1.00 0.33 C ATOM 61 O GLY A 5 -13.125 -2.324 -5.915 1.00 0.33 O ATOM 0 H GLY A 5 -15.911 -5.064 -4.710 1.00 0.36 H new ATOM 0 HA2 GLY A 5 -14.444 -4.979 -6.482 1.00 0.39 H new ATOM 0 HA3 GLY A 5 -15.116 -3.449 -7.011 1.00 0.39 H new ATOM 65 N LEU A 6 -13.480 -3.769 -4.209 1.00 0.32 N ATOM 66 CA LEU A 6 -12.633 -3.138 -3.220 1.00 0.29 C ATOM 67 C LEU A 6 -11.253 -2.886 -3.783 1.00 0.29 C ATOM 68 O LEU A 6 -10.639 -1.850 -3.534 1.00 0.33 O ATOM 69 CB LEU A 6 -12.561 -4.071 -2.023 1.00 0.29 C ATOM 70 CG LEU A 6 -12.330 -3.420 -0.674 1.00 0.27 C ATOM 71 CD1 LEU A 6 -13.371 -2.351 -0.389 1.00 0.31 C ATOM 72 CD2 LEU A 6 -12.350 -4.488 0.386 1.00 0.28 C ATOM 0 H LEU A 6 -13.893 -4.643 -3.883 1.00 0.32 H new ATOM 0 HA LEU A 6 -13.043 -2.172 -2.927 1.00 0.29 H new ATOM 0 HB2 LEU A 6 -13.491 -4.637 -1.974 1.00 0.29 H new ATOM 0 HB3 LEU A 6 -11.760 -4.789 -2.197 1.00 0.29 H new ATOM 0 HG LEU A 6 -11.360 -2.923 -0.676 1.00 0.27 H new ATOM 0 HD11 LEU A 6 -13.176 -1.904 0.586 1.00 0.31 H new ATOM 0 HD12 LEU A 6 -13.321 -1.580 -1.158 1.00 0.31 H new ATOM 0 HD13 LEU A 6 -14.364 -2.801 -0.390 1.00 0.31 H new ATOM 0 HD21 LEU A 6 -12.185 -4.034 1.363 1.00 0.28 H new ATOM 0 HD22 LEU A 6 -13.317 -4.990 0.378 1.00 0.28 H new ATOM 0 HD23 LEU A 6 -11.562 -5.214 0.186 1.00 0.28 H new ATOM 84 N PHE A 7 -10.790 -3.828 -4.570 1.00 0.30 N ATOM 85 CA PHE A 7 -9.490 -3.729 -5.164 1.00 0.32 C ATOM 86 C PHE A 7 -9.607 -3.167 -6.564 1.00 0.29 C ATOM 87 O PHE A 7 -9.712 -3.900 -7.547 1.00 0.32 O ATOM 88 CB PHE A 7 -8.812 -5.087 -5.164 1.00 0.41 C ATOM 89 CG PHE A 7 -7.536 -5.101 -4.381 1.00 0.45 C ATOM 90 CD1 PHE A 7 -7.452 -4.467 -3.149 1.00 0.62 C ATOM 91 CD2 PHE A 7 -6.420 -5.743 -4.879 1.00 0.64 C ATOM 92 CE1 PHE A 7 -6.276 -4.478 -2.433 1.00 0.67 C ATOM 93 CE2 PHE A 7 -5.246 -5.758 -4.167 1.00 0.72 C ATOM 94 CZ PHE A 7 -5.172 -5.123 -2.945 1.00 0.61 C ATOM 0 H PHE A 7 -11.303 -4.676 -4.812 1.00 0.30 H new ATOM 0 HA PHE A 7 -8.872 -3.049 -4.578 1.00 0.32 H new ATOM 0 HB2 PHE A 7 -9.495 -5.828 -4.749 1.00 0.41 H new ATOM 0 HB3 PHE A 7 -8.605 -5.384 -6.192 1.00 0.41 H new ATOM 0 HD1 PHE A 7 -8.317 -3.960 -2.748 1.00 0.62 H new ATOM 0 HD2 PHE A 7 -6.471 -6.238 -5.838 1.00 0.64 H new ATOM 0 HE1 PHE A 7 -6.220 -3.983 -1.475 1.00 0.67 H new ATOM 0 HE2 PHE A 7 -4.380 -6.267 -4.564 1.00 0.72 H new ATOM 0 HZ PHE A 7 -4.247 -5.132 -2.388 1.00 0.61 H new ATOM 104 N VAL A 8 -9.636 -1.853 -6.625 1.00 0.28 N ATOM 105 CA VAL A 8 -9.748 -1.136 -7.879 1.00 0.34 C ATOM 106 C VAL A 8 -8.418 -1.174 -8.622 1.00 0.44 C ATOM 107 O VAL A 8 -8.374 -1.297 -9.848 1.00 0.63 O ATOM 108 CB VAL A 8 -10.176 0.323 -7.628 1.00 0.32 C ATOM 109 CG1 VAL A 8 -10.473 1.037 -8.936 1.00 0.41 C ATOM 110 CG2 VAL A 8 -11.378 0.361 -6.690 1.00 0.33 C ATOM 0 H VAL A 8 -9.582 -1.249 -5.805 1.00 0.28 H new ATOM 0 HA VAL A 8 -10.509 -1.619 -8.491 1.00 0.34 H new ATOM 0 HB VAL A 8 -9.351 0.851 -7.150 1.00 0.32 H new ATOM 0 HG11 VAL A 8 -10.773 2.065 -8.730 1.00 0.41 H new ATOM 0 HG12 VAL A 8 -9.580 1.038 -9.561 1.00 0.41 H new ATOM 0 HG13 VAL A 8 -11.280 0.521 -9.457 1.00 0.41 H new ATOM 0 HG21 VAL A 8 -11.673 1.396 -6.519 1.00 0.33 H new ATOM 0 HG22 VAL A 8 -12.208 -0.183 -7.140 1.00 0.33 H new ATOM 0 HG23 VAL A 8 -11.113 -0.103 -5.740 1.00 0.33 H new ATOM 120 N MET A 9 -7.337 -1.081 -7.862 1.00 0.43 N ATOM 121 CA MET A 9 -5.998 -1.229 -8.406 1.00 0.65 C ATOM 122 C MET A 9 -5.072 -1.772 -7.338 1.00 0.44 C ATOM 123 O MET A 9 -5.085 -1.306 -6.197 1.00 0.44 O ATOM 124 CB MET A 9 -5.448 0.090 -8.931 1.00 1.05 C ATOM 125 CG MET A 9 -4.107 -0.053 -9.631 1.00 1.45 C ATOM 126 SD MET A 9 -4.197 -1.079 -11.108 1.00 2.35 S ATOM 127 CE MET A 9 -5.280 -0.091 -12.138 1.00 2.88 C ATOM 0 H MET A 9 -7.364 -0.902 -6.858 1.00 0.43 H new ATOM 0 HA MET A 9 -6.056 -1.924 -9.244 1.00 0.65 H new ATOM 0 HB2 MET A 9 -6.167 0.525 -9.625 1.00 1.05 H new ATOM 0 HB3 MET A 9 -5.344 0.788 -8.101 1.00 1.05 H new ATOM 0 HG2 MET A 9 -3.737 0.936 -9.903 1.00 1.45 H new ATOM 0 HG3 MET A 9 -3.385 -0.484 -8.938 1.00 1.45 H new ATOM 0 HE1 MET A 9 -5.172 -0.397 -13.178 1.00 2.88 H new ATOM 0 HE2 MET A 9 -6.313 -0.236 -11.823 1.00 2.88 H new ATOM 0 HE3 MET A 9 -5.015 0.962 -12.040 1.00 2.88 H new ATOM 137 N ARG A 10 -4.278 -2.750 -7.713 1.00 0.47 N ATOM 138 CA ARG A 10 -3.331 -3.354 -6.806 1.00 0.41 C ATOM 139 C ARG A 10 -1.921 -2.948 -7.186 1.00 0.39 C ATOM 140 O ARG A 10 -1.568 -2.920 -8.365 1.00 0.45 O ATOM 141 CB ARG A 10 -3.460 -4.878 -6.814 1.00 0.46 C ATOM 142 CG ARG A 10 -3.357 -5.503 -8.200 1.00 0.97 C ATOM 143 CD ARG A 10 -3.556 -7.012 -8.156 1.00 1.34 C ATOM 144 NE ARG A 10 -2.408 -7.714 -7.581 1.00 2.11 N ATOM 145 CZ ARG A 10 -2.367 -9.034 -7.397 1.00 2.72 C ATOM 146 NH1 ARG A 10 -3.409 -9.789 -7.731 1.00 2.74 N ATOM 147 NH2 ARG A 10 -1.283 -9.603 -6.889 1.00 3.67 N ATOM 0 H ARG A 10 -4.271 -3.147 -8.652 1.00 0.47 H new ATOM 0 HA ARG A 10 -3.548 -3.000 -5.798 1.00 0.41 H new ATOM 0 HB2 ARG A 10 -2.683 -5.301 -6.178 1.00 0.46 H new ATOM 0 HB3 ARG A 10 -4.418 -5.153 -6.373 1.00 0.46 H new ATOM 0 HG2 ARG A 10 -4.104 -5.057 -8.856 1.00 0.97 H new ATOM 0 HG3 ARG A 10 -2.381 -5.277 -8.629 1.00 0.97 H new ATOM 0 HD2 ARG A 10 -4.447 -7.240 -7.571 1.00 1.34 H new ATOM 0 HD3 ARG A 10 -3.734 -7.381 -9.166 1.00 1.34 H new ATOM 0 HE ARG A 10 -1.595 -7.163 -7.306 1.00 2.11 H new ATOM 0 HH11 ARG A 10 -4.244 -9.359 -8.130 1.00 2.74 H new ATOM 0 HH12 ARG A 10 -3.374 -10.798 -7.589 1.00 2.74 H new ATOM 0 HH21 ARG A 10 -0.477 -9.031 -6.638 1.00 3.67 H new ATOM 0 HH22 ARG A 10 -1.255 -10.613 -6.750 1.00 3.67 H new ATOM 161 N PRO A 11 -1.107 -2.611 -6.193 1.00 0.43 N ATOM 162 CA PRO A 11 0.273 -2.228 -6.409 1.00 0.50 C ATOM 163 C PRO A 11 1.155 -3.444 -6.692 1.00 0.47 C ATOM 164 O PRO A 11 0.994 -4.496 -6.085 1.00 0.54 O ATOM 165 CB PRO A 11 0.682 -1.535 -5.100 1.00 0.62 C ATOM 166 CG PRO A 11 -0.509 -1.602 -4.191 1.00 0.64 C ATOM 167 CD PRO A 11 -1.475 -2.582 -4.782 1.00 0.53 C ATOM 0 HA PRO A 11 0.390 -1.580 -7.278 1.00 0.50 H new ATOM 0 HB2 PRO A 11 1.541 -2.032 -4.650 1.00 0.62 H new ATOM 0 HB3 PRO A 11 0.972 -0.500 -5.283 1.00 0.62 H new ATOM 0 HG2 PRO A 11 -0.210 -1.915 -3.191 1.00 0.64 H new ATOM 0 HG3 PRO A 11 -0.972 -0.620 -4.093 1.00 0.64 H new ATOM 0 HD2 PRO A 11 -1.381 -3.566 -4.322 1.00 0.53 H new ATOM 0 HD3 PRO A 11 -2.508 -2.262 -4.643 1.00 0.53 H new ATOM 175 N GLN A 12 2.050 -3.291 -7.648 1.00 0.44 N ATOM 176 CA GLN A 12 3.025 -4.325 -8.006 1.00 0.43 C ATOM 177 C GLN A 12 4.292 -4.173 -7.178 1.00 0.37 C ATOM 178 O GLN A 12 4.385 -3.255 -6.374 1.00 0.40 O ATOM 179 CB GLN A 12 3.391 -4.212 -9.488 1.00 0.55 C ATOM 180 CG GLN A 12 3.031 -2.878 -10.144 1.00 0.73 C ATOM 181 CD GLN A 12 3.779 -1.652 -9.596 1.00 1.06 C ATOM 182 OE1 GLN A 12 4.070 -0.727 -10.349 1.00 1.43 O ATOM 183 NE2 GLN A 12 4.065 -1.598 -8.294 1.00 1.32 N ATOM 0 H GLN A 12 2.129 -2.442 -8.208 1.00 0.44 H new ATOM 0 HA GLN A 12 2.575 -5.298 -7.807 1.00 0.43 H new ATOM 0 HB2 GLN A 12 4.464 -4.374 -9.595 1.00 0.55 H new ATOM 0 HB3 GLN A 12 2.891 -5.014 -10.032 1.00 0.55 H new ATOM 0 HG2 GLN A 12 3.226 -2.954 -11.214 1.00 0.73 H new ATOM 0 HG3 GLN A 12 1.960 -2.712 -10.027 1.00 0.73 H new ATOM 0 HE21 GLN A 12 3.815 -2.377 -7.684 1.00 1.32 H new ATOM 0 HE22 GLN A 12 4.533 -0.778 -7.908 1.00 1.32 H new ATOM 192 N ASP A 13 5.280 -5.018 -7.425 1.00 0.34 N ATOM 193 CA ASP A 13 6.529 -4.974 -6.751 1.00 0.33 C ATOM 194 C ASP A 13 7.368 -3.814 -7.252 1.00 0.36 C ATOM 195 O ASP A 13 6.870 -2.732 -7.578 1.00 0.50 O ATOM 196 CB ASP A 13 7.238 -6.298 -7.025 1.00 0.35 C ATOM 197 CG ASP A 13 7.048 -6.786 -8.447 1.00 1.04 C ATOM 198 OD1 ASP A 13 5.953 -7.287 -8.769 1.00 1.03 O ATOM 199 OD2 ASP A 13 8.006 -6.682 -9.245 1.00 2.06 O ATOM 0 H ASP A 13 5.216 -5.763 -8.119 1.00 0.34 H new ATOM 0 HA ASP A 13 6.379 -4.829 -5.681 1.00 0.33 H new ATOM 0 HB2 ASP A 13 8.303 -6.182 -6.825 1.00 0.35 H new ATOM 0 HB3 ASP A 13 6.865 -7.054 -6.334 1.00 0.35 H new ATOM 204 N GLY A 14 8.639 -4.068 -7.333 1.00 0.30 N ATOM 205 CA GLY A 14 9.577 -3.058 -7.708 1.00 0.30 C ATOM 206 C GLY A 14 10.967 -3.355 -7.222 1.00 0.25 C ATOM 207 O GLY A 14 11.176 -3.845 -6.121 1.00 0.28 O ATOM 0 H GLY A 14 9.053 -4.980 -7.141 1.00 0.30 H new ATOM 0 HA2 GLY A 14 9.588 -2.962 -8.794 1.00 0.30 H new ATOM 0 HA3 GLY A 14 9.252 -2.098 -7.306 1.00 0.30 H new ATOM 211 N GLU A 15 11.900 -3.068 -8.071 1.00 0.26 N ATOM 212 CA GLU A 15 13.309 -3.127 -7.739 1.00 0.25 C ATOM 213 C GLU A 15 13.886 -1.743 -7.857 1.00 0.23 C ATOM 214 O GLU A 15 13.859 -1.142 -8.931 1.00 0.30 O ATOM 215 CB GLU A 15 14.092 -4.051 -8.670 1.00 0.33 C ATOM 216 CG GLU A 15 13.697 -5.510 -8.615 1.00 0.69 C ATOM 217 CD GLU A 15 14.791 -6.383 -9.191 1.00 1.11 C ATOM 218 OE1 GLU A 15 15.837 -6.547 -8.523 1.00 1.48 O ATOM 219 OE2 GLU A 15 14.638 -6.867 -10.331 1.00 1.53 O ATOM 0 H GLU A 15 11.714 -2.780 -9.032 1.00 0.26 H new ATOM 0 HA GLU A 15 13.393 -3.520 -6.726 1.00 0.25 H new ATOM 0 HB2 GLU A 15 13.970 -3.697 -9.694 1.00 0.33 H new ATOM 0 HB3 GLU A 15 15.152 -3.969 -8.429 1.00 0.33 H new ATOM 0 HG2 GLU A 15 13.499 -5.800 -7.583 1.00 0.69 H new ATOM 0 HG3 GLU A 15 12.772 -5.663 -9.172 1.00 0.69 H new ATOM 226 N VAL A 16 14.399 -1.231 -6.762 1.00 0.20 N ATOM 227 CA VAL A 16 14.920 0.066 -6.729 1.00 0.21 C ATOM 228 C VAL A 16 16.207 0.003 -5.969 1.00 0.22 C ATOM 229 O VAL A 16 16.470 -0.949 -5.252 1.00 0.27 O ATOM 230 CB VAL A 16 13.955 1.043 -6.045 1.00 0.22 C ATOM 231 CG1 VAL A 16 12.521 0.764 -6.466 1.00 0.25 C ATOM 232 CG2 VAL A 16 14.103 1.014 -4.524 1.00 0.23 C ATOM 0 H VAL A 16 14.455 -1.729 -5.874 1.00 0.20 H new ATOM 0 HA VAL A 16 15.074 0.430 -7.745 1.00 0.21 H new ATOM 0 HB VAL A 16 14.216 2.050 -6.372 1.00 0.22 H new ATOM 0 HG11 VAL A 16 11.853 1.468 -5.970 1.00 0.25 H new ATOM 0 HG12 VAL A 16 12.430 0.878 -7.546 1.00 0.25 H new ATOM 0 HG13 VAL A 16 12.250 -0.254 -6.184 1.00 0.25 H new ATOM 0 HG21 VAL A 16 13.403 1.719 -4.077 1.00 0.23 H new ATOM 0 HG22 VAL A 16 13.891 0.010 -4.157 1.00 0.23 H new ATOM 0 HG23 VAL A 16 15.121 1.292 -4.252 1.00 0.23 H new ATOM 242 N THR A 17 16.986 0.998 -6.143 1.00 0.23 N ATOM 243 CA THR A 17 18.275 1.100 -5.507 1.00 0.27 C ATOM 244 C THR A 17 18.148 1.827 -4.171 1.00 0.28 C ATOM 245 O THR A 17 17.195 2.590 -3.966 1.00 0.28 O ATOM 246 CB THR A 17 19.232 1.882 -6.413 1.00 0.35 C ATOM 247 OG1 THR A 17 18.643 2.045 -7.712 1.00 0.77 O ATOM 248 CG2 THR A 17 20.564 1.170 -6.545 1.00 0.56 C ATOM 0 H THR A 17 16.757 1.792 -6.742 1.00 0.23 H new ATOM 0 HA THR A 17 18.662 0.096 -5.335 1.00 0.27 H new ATOM 0 HB THR A 17 19.408 2.858 -5.961 1.00 0.35 H new ATOM 0 HG1 THR A 17 19.256 2.547 -8.289 1.00 0.77 H new ATOM 0 HG21 THR A 17 21.223 1.748 -7.193 1.00 0.56 H new ATOM 0 HG22 THR A 17 21.021 1.068 -5.561 1.00 0.56 H new ATOM 0 HG23 THR A 17 20.407 0.181 -6.976 1.00 0.56 H new ATOM 256 N VAL A 18 19.091 1.597 -3.260 1.00 0.31 N ATOM 257 CA VAL A 18 19.144 2.369 -2.044 1.00 0.35 C ATOM 258 C VAL A 18 19.481 3.775 -2.400 1.00 0.36 C ATOM 259 O VAL A 18 20.594 4.118 -2.795 1.00 0.39 O ATOM 260 CB VAL A 18 20.189 1.918 -1.034 1.00 0.44 C ATOM 261 CG1 VAL A 18 19.964 2.601 0.305 1.00 0.76 C ATOM 262 CG2 VAL A 18 20.202 0.417 -0.867 1.00 0.78 C ATOM 0 H VAL A 18 19.818 0.887 -3.349 1.00 0.31 H new ATOM 0 HA VAL A 18 18.167 2.244 -1.577 1.00 0.35 H new ATOM 0 HB VAL A 18 21.165 2.211 -1.421 1.00 0.44 H new ATOM 0 HG11 VAL A 18 20.720 2.267 1.015 1.00 0.76 H new ATOM 0 HG12 VAL A 18 20.036 3.681 0.179 1.00 0.76 H new ATOM 0 HG13 VAL A 18 18.974 2.345 0.682 1.00 0.76 H new ATOM 0 HG21 VAL A 18 20.962 0.139 -0.137 1.00 0.78 H new ATOM 0 HG22 VAL A 18 19.225 0.081 -0.519 1.00 0.78 H new ATOM 0 HG23 VAL A 18 20.428 -0.054 -1.824 1.00 0.78 H new ATOM 272 N GLY A 19 18.483 4.545 -2.281 1.00 0.38 N ATOM 273 CA GLY A 19 18.590 5.960 -2.503 1.00 0.45 C ATOM 274 C GLY A 19 17.868 6.403 -3.750 1.00 0.40 C ATOM 275 O GLY A 19 18.085 7.517 -4.224 1.00 0.48 O ATOM 0 H GLY A 19 17.548 4.229 -2.024 1.00 0.38 H new ATOM 0 HA2 GLY A 19 18.183 6.492 -1.643 1.00 0.45 H new ATOM 0 HA3 GLY A 19 19.642 6.234 -2.579 1.00 0.45 H new ATOM 279 N GLY A 20 17.010 5.546 -4.305 1.00 0.32 N ATOM 280 CA GLY A 20 16.205 5.972 -5.388 1.00 0.32 C ATOM 281 C GLY A 20 14.861 6.328 -4.889 1.00 0.30 C ATOM 282 O GLY A 20 14.690 7.142 -3.985 1.00 0.44 O ATOM 0 H GLY A 20 16.875 4.578 -4.012 1.00 0.32 H new ATOM 0 HA2 GLY A 20 16.662 6.831 -5.879 1.00 0.32 H new ATOM 0 HA3 GLY A 20 16.130 5.180 -6.134 1.00 0.32 H new ATOM 286 N SER A 21 13.924 5.708 -5.485 1.00 0.24 N ATOM 287 CA SER A 21 12.576 5.819 -5.118 1.00 0.22 C ATOM 288 C SER A 21 11.821 4.573 -5.487 1.00 0.22 C ATOM 289 O SER A 21 12.283 3.739 -6.258 1.00 0.25 O ATOM 290 CB SER A 21 11.963 7.005 -5.792 1.00 0.30 C ATOM 291 OG SER A 21 12.207 6.995 -7.187 1.00 0.82 O ATOM 0 H SER A 21 14.083 5.083 -6.275 1.00 0.24 H new ATOM 0 HA SER A 21 12.520 5.949 -4.037 1.00 0.22 H new ATOM 0 HB2 SER A 21 10.888 7.013 -5.610 1.00 0.30 H new ATOM 0 HB3 SER A 21 12.366 7.920 -5.358 1.00 0.30 H new ATOM 0 HG SER A 21 11.792 7.782 -7.597 1.00 0.82 H new ATOM 297 N ILE A 22 10.667 4.492 -4.919 1.00 0.22 N ATOM 298 CA ILE A 22 9.673 3.547 -5.250 1.00 0.24 C ATOM 299 C ILE A 22 8.343 4.203 -5.025 1.00 0.25 C ATOM 300 O ILE A 22 8.179 5.123 -4.226 1.00 0.27 O ATOM 301 CB ILE A 22 9.772 2.241 -4.457 1.00 0.25 C ATOM 302 CG1 ILE A 22 8.792 1.209 -4.994 1.00 0.29 C ATOM 303 CG2 ILE A 22 9.539 2.454 -2.971 1.00 0.29 C ATOM 304 CD1 ILE A 22 9.026 0.808 -6.437 1.00 0.32 C ATOM 0 H ILE A 22 10.382 5.122 -4.169 1.00 0.22 H new ATOM 0 HA ILE A 22 9.809 3.254 -6.291 1.00 0.24 H new ATOM 0 HB ILE A 22 10.789 1.870 -4.583 1.00 0.25 H new ATOM 0 HG12 ILE A 22 8.845 0.317 -4.370 1.00 0.29 H new ATOM 0 HG13 ILE A 22 7.781 1.604 -4.900 1.00 0.29 H new ATOM 0 HG21 ILE A 22 9.619 1.500 -2.450 1.00 0.29 H new ATOM 0 HG22 ILE A 22 10.287 3.145 -2.581 1.00 0.29 H new ATOM 0 HG23 ILE A 22 8.544 2.870 -2.815 1.00 0.29 H new ATOM 0 HD11 ILE A 22 8.282 0.069 -6.735 1.00 0.32 H new ATOM 0 HD12 ILE A 22 8.942 1.686 -7.077 1.00 0.32 H new ATOM 0 HD13 ILE A 22 10.023 0.379 -6.538 1.00 0.32 H new ATOM 316 N THR A 23 7.436 3.768 -5.781 1.00 0.25 N ATOM 317 CA THR A 23 6.100 4.313 -5.749 1.00 0.23 C ATOM 318 C THR A 23 5.093 3.210 -5.858 1.00 0.24 C ATOM 319 O THR A 23 5.131 2.388 -6.772 1.00 0.28 O ATOM 320 CB THR A 23 5.829 5.343 -6.854 1.00 0.26 C ATOM 321 OG1 THR A 23 6.906 6.291 -6.908 1.00 0.31 O ATOM 322 CG2 THR A 23 4.507 6.075 -6.599 1.00 0.24 C ATOM 0 H THR A 23 7.569 3.017 -6.458 1.00 0.25 H new ATOM 0 HA THR A 23 6.010 4.832 -4.795 1.00 0.23 H new ATOM 0 HB THR A 23 5.757 4.819 -7.807 1.00 0.26 H new ATOM 0 HG1 THR A 23 6.730 6.946 -7.616 1.00 0.31 H new ATOM 0 HG21 THR A 23 4.334 6.801 -7.394 1.00 0.24 H new ATOM 0 HG22 THR A 23 3.690 5.354 -6.581 1.00 0.24 H new ATOM 0 HG23 THR A 23 4.556 6.592 -5.640 1.00 0.24 H new ATOM 330 N PHE A 24 4.211 3.197 -4.912 1.00 0.24 N ATOM 331 CA PHE A 24 3.127 2.271 -4.904 1.00 0.27 C ATOM 332 C PHE A 24 1.836 3.048 -4.829 1.00 0.24 C ATOM 333 O PHE A 24 1.792 4.156 -4.307 1.00 0.30 O ATOM 334 CB PHE A 24 3.237 1.329 -3.719 1.00 0.40 C ATOM 335 CG PHE A 24 4.508 0.530 -3.678 1.00 0.33 C ATOM 336 CD1 PHE A 24 4.821 -0.356 -4.697 1.00 0.46 C ATOM 337 CD2 PHE A 24 5.378 0.644 -2.605 1.00 0.43 C ATOM 338 CE1 PHE A 24 5.978 -1.109 -4.649 1.00 0.53 C ATOM 339 CE2 PHE A 24 6.539 -0.107 -2.555 1.00 0.51 C ATOM 340 CZ PHE A 24 6.836 -0.987 -3.575 1.00 0.49 C ATOM 0 H PHE A 24 4.223 3.835 -4.116 1.00 0.24 H new ATOM 0 HA PHE A 24 3.152 1.671 -5.814 1.00 0.27 H new ATOM 0 HB2 PHE A 24 3.157 1.910 -2.800 1.00 0.40 H new ATOM 0 HB3 PHE A 24 2.391 0.642 -3.736 1.00 0.40 H new ATOM 0 HD1 PHE A 24 4.152 -0.459 -5.539 1.00 0.46 H new ATOM 0 HD2 PHE A 24 5.147 1.326 -1.800 1.00 0.43 H new ATOM 0 HE1 PHE A 24 6.211 -1.793 -5.452 1.00 0.53 H new ATOM 0 HE2 PHE A 24 7.213 -0.004 -1.717 1.00 0.51 H new ATOM 0 HZ PHE A 24 7.738 -1.579 -3.533 1.00 0.49 H new ATOM 350 N SER A 25 0.815 2.491 -5.393 1.00 0.28 N ATOM 351 CA SER A 25 -0.501 3.047 -5.327 1.00 0.28 C ATOM 352 C SER A 25 -1.500 1.923 -5.187 1.00 0.27 C ATOM 353 O SER A 25 -1.465 0.932 -5.918 1.00 0.31 O ATOM 354 CB SER A 25 -0.822 3.867 -6.559 1.00 0.35 C ATOM 355 OG SER A 25 0.221 4.779 -6.868 1.00 0.58 O ATOM 0 H SER A 25 0.871 1.621 -5.923 1.00 0.28 H new ATOM 0 HA SER A 25 -0.554 3.712 -4.465 1.00 0.28 H new ATOM 0 HB2 SER A 25 -0.987 3.202 -7.406 1.00 0.35 H new ATOM 0 HB3 SER A 25 -1.750 4.416 -6.399 1.00 0.35 H new ATOM 0 HG SER A 25 -0.018 5.291 -7.669 1.00 0.58 H new ATOM 361 N ALA A 26 -2.365 2.098 -4.245 1.00 0.26 N ATOM 362 CA ALA A 26 -3.395 1.125 -3.929 1.00 0.26 C ATOM 363 C ALA A 26 -4.756 1.801 -3.922 1.00 0.22 C ATOM 364 O ALA A 26 -5.021 2.686 -3.108 1.00 0.25 O ATOM 365 CB ALA A 26 -3.097 0.466 -2.590 1.00 0.32 C ATOM 0 H ALA A 26 -2.389 2.930 -3.655 1.00 0.26 H new ATOM 0 HA ALA A 26 -3.406 0.346 -4.691 1.00 0.26 H new ATOM 0 HB1 ALA A 26 -3.875 -0.262 -2.362 1.00 0.32 H new ATOM 0 HB2 ALA A 26 -2.132 -0.038 -2.639 1.00 0.32 H new ATOM 0 HB3 ALA A 26 -3.070 1.225 -1.809 1.00 0.32 H new ATOM 371 N ARG A 27 -5.611 1.396 -4.843 1.00 0.22 N ATOM 372 CA ARG A 27 -6.896 2.054 -5.032 1.00 0.25 C ATOM 373 C ARG A 27 -8.017 1.198 -4.462 1.00 0.23 C ATOM 374 O ARG A 27 -8.186 0.043 -4.857 1.00 0.31 O ATOM 375 CB ARG A 27 -7.130 2.321 -6.520 1.00 0.36 C ATOM 376 CG ARG A 27 -6.041 3.171 -7.155 1.00 0.28 C ATOM 377 CD ARG A 27 -6.308 3.421 -8.629 1.00 0.46 C ATOM 378 NE ARG A 27 -7.220 4.544 -8.852 1.00 1.22 N ATOM 379 CZ ARG A 27 -7.427 5.098 -10.044 1.00 1.55 C ATOM 380 NH1 ARG A 27 -6.789 4.634 -11.108 1.00 1.46 N ATOM 381 NH2 ARG A 27 -8.259 6.124 -10.163 1.00 2.43 N ATOM 0 H ARG A 27 -5.441 0.613 -5.474 1.00 0.22 H new ATOM 0 HA ARG A 27 -6.888 3.006 -4.501 1.00 0.25 H new ATOM 0 HB2 ARG A 27 -7.193 1.369 -7.048 1.00 0.36 H new ATOM 0 HB3 ARG A 27 -8.091 2.820 -6.646 1.00 0.36 H new ATOM 0 HG2 ARG A 27 -5.972 4.124 -6.631 1.00 0.28 H new ATOM 0 HG3 ARG A 27 -5.078 2.674 -7.039 1.00 0.28 H new ATOM 0 HD2 ARG A 27 -5.364 3.618 -9.137 1.00 0.46 H new ATOM 0 HD3 ARG A 27 -6.730 2.521 -9.076 1.00 0.46 H new ATOM 0 HE ARG A 27 -7.724 4.922 -8.050 1.00 1.22 H new ATOM 0 HH11 ARG A 27 -6.140 3.853 -11.013 1.00 1.46 H new ATOM 0 HH12 ARG A 27 -6.947 5.058 -12.022 1.00 1.46 H new ATOM 0 HH21 ARG A 27 -8.740 6.488 -9.341 1.00 2.43 H new ATOM 0 HH22 ARG A 27 -8.418 6.549 -11.077 1.00 2.43 H new ATOM 395 N VAL A 28 -8.787 1.768 -3.545 1.00 0.19 N ATOM 396 CA VAL A 28 -9.801 1.029 -2.851 1.00 0.20 C ATOM 397 C VAL A 28 -11.152 1.685 -3.020 1.00 0.23 C ATOM 398 O VAL A 28 -11.338 2.877 -2.796 1.00 0.24 O ATOM 399 CB VAL A 28 -9.494 0.874 -1.357 1.00 0.22 C ATOM 400 CG1 VAL A 28 -10.447 -0.132 -0.727 1.00 0.26 C ATOM 401 CG2 VAL A 28 -8.045 0.463 -1.156 1.00 0.23 C ATOM 0 H VAL A 28 -8.718 2.748 -3.272 1.00 0.19 H new ATOM 0 HA VAL A 28 -9.817 0.034 -3.295 1.00 0.20 H new ATOM 0 HB VAL A 28 -9.641 1.834 -0.862 1.00 0.22 H new ATOM 0 HG11 VAL A 28 -10.219 -0.234 0.334 1.00 0.26 H new ATOM 0 HG12 VAL A 28 -11.473 0.215 -0.846 1.00 0.26 H new ATOM 0 HG13 VAL A 28 -10.332 -1.099 -1.217 1.00 0.26 H new ATOM 0 HG21 VAL A 28 -7.841 0.357 -0.090 1.00 0.23 H new ATOM 0 HG22 VAL A 28 -7.864 -0.488 -1.657 1.00 0.23 H new ATOM 0 HG23 VAL A 28 -7.389 1.225 -1.576 1.00 0.23 H new ATOM 411 N ALA A 29 -12.063 0.869 -3.445 1.00 0.29 N ATOM 412 CA ALA A 29 -13.441 1.232 -3.687 1.00 0.32 C ATOM 413 C ALA A 29 -14.151 1.719 -2.440 1.00 0.34 C ATOM 414 O ALA A 29 -14.360 0.972 -1.487 1.00 0.40 O ATOM 415 CB ALA A 29 -14.168 0.034 -4.252 1.00 0.38 C ATOM 0 H ALA A 29 -11.868 -0.112 -3.644 1.00 0.29 H new ATOM 0 HA ALA A 29 -13.445 2.061 -4.394 1.00 0.32 H new ATOM 0 HB1 ALA A 29 -15.210 0.295 -4.439 1.00 0.38 H new ATOM 0 HB2 ALA A 29 -13.697 -0.270 -5.187 1.00 0.38 H new ATOM 0 HB3 ALA A 29 -14.123 -0.789 -3.538 1.00 0.38 H new ATOM 421 N GLY A 30 -14.501 2.988 -2.476 1.00 0.35 N ATOM 422 CA GLY A 30 -15.430 3.549 -1.515 1.00 0.42 C ATOM 423 C GLY A 30 -16.677 2.700 -1.404 1.00 0.50 C ATOM 424 O GLY A 30 -16.946 2.119 -0.367 1.00 0.76 O ATOM 0 H GLY A 30 -14.154 3.655 -3.165 1.00 0.35 H new ATOM 0 HA2 GLY A 30 -14.949 3.623 -0.540 1.00 0.42 H new ATOM 0 HA3 GLY A 30 -15.701 4.561 -1.815 1.00 0.42 H new ATOM 428 N ALA A 31 -17.423 2.636 -2.494 1.00 0.49 N ATOM 429 CA ALA A 31 -18.522 1.678 -2.655 1.00 0.55 C ATOM 430 C ALA A 31 -19.646 1.801 -1.631 1.00 0.64 C ATOM 431 O ALA A 31 -19.687 2.717 -0.812 1.00 0.71 O ATOM 432 CB ALA A 31 -17.963 0.276 -2.618 1.00 0.58 C ATOM 0 H ALA A 31 -17.289 3.247 -3.300 1.00 0.49 H new ATOM 0 HA ALA A 31 -18.979 1.911 -3.617 1.00 0.55 H new ATOM 0 HB1 ALA A 31 -18.774 -0.442 -2.737 1.00 0.58 H new ATOM 0 HB2 ALA A 31 -17.244 0.149 -3.428 1.00 0.58 H new ATOM 0 HB3 ALA A 31 -17.466 0.107 -1.662 1.00 0.58 H new ATOM 438 N SER A 32 -20.581 0.866 -1.745 1.00 0.85 N ATOM 439 CA SER A 32 -21.673 0.709 -0.809 1.00 0.96 C ATOM 440 C SER A 32 -21.322 -0.367 0.219 1.00 1.01 C ATOM 441 O SER A 32 -21.299 -1.563 -0.089 1.00 1.69 O ATOM 442 CB SER A 32 -22.934 0.337 -1.587 1.00 1.19 C ATOM 443 OG SER A 32 -22.603 -0.472 -2.710 1.00 1.74 O ATOM 0 H SER A 32 -20.597 0.187 -2.506 1.00 0.85 H new ATOM 0 HA SER A 32 -21.850 1.641 -0.272 1.00 0.96 H new ATOM 0 HB2 SER A 32 -23.626 -0.198 -0.936 1.00 1.19 H new ATOM 0 HB3 SER A 32 -23.444 1.241 -1.920 1.00 1.19 H new ATOM 0 HG SER A 32 -23.420 -0.704 -3.198 1.00 1.74 H new ATOM 449 N LEU A 33 -21.032 0.066 1.435 1.00 0.96 N ATOM 450 CA LEU A 33 -20.520 -0.804 2.463 1.00 0.93 C ATOM 451 C LEU A 33 -20.915 -0.295 3.845 1.00 0.90 C ATOM 452 O LEU A 33 -21.463 0.803 3.976 1.00 0.98 O ATOM 453 CB LEU A 33 -18.992 -0.962 2.307 1.00 0.99 C ATOM 454 CG LEU A 33 -18.063 0.237 2.572 1.00 1.26 C ATOM 455 CD1 LEU A 33 -16.814 0.100 1.717 1.00 2.16 C ATOM 456 CD2 LEU A 33 -18.715 1.588 2.326 1.00 1.95 C ATOM 0 H LEU A 33 -21.148 1.035 1.731 1.00 0.96 H new ATOM 0 HA LEU A 33 -20.964 -1.793 2.354 1.00 0.93 H new ATOM 0 HB2 LEU A 33 -18.680 -1.767 2.972 1.00 0.99 H new ATOM 0 HB3 LEU A 33 -18.803 -1.299 1.288 1.00 0.99 H new ATOM 0 HG LEU A 33 -17.814 0.213 3.633 1.00 1.26 H new ATOM 0 HD11 LEU A 33 -16.153 0.947 1.901 1.00 2.16 H new ATOM 0 HD12 LEU A 33 -16.298 -0.826 1.972 1.00 2.16 H new ATOM 0 HD13 LEU A 33 -17.094 0.081 0.664 1.00 2.16 H new ATOM 0 HD21 LEU A 33 -17.997 2.382 2.534 1.00 1.95 H new ATOM 0 HD22 LEU A 33 -19.036 1.653 1.286 1.00 1.95 H new ATOM 0 HD23 LEU A 33 -19.579 1.699 2.981 1.00 1.95 H new ATOM 468 N LEU A 34 -20.662 -1.106 4.867 1.00 0.87 N ATOM 469 CA LEU A 34 -21.031 -0.760 6.231 1.00 0.89 C ATOM 470 C LEU A 34 -20.322 0.521 6.661 1.00 0.84 C ATOM 471 O LEU A 34 -20.938 1.453 7.176 1.00 0.95 O ATOM 472 CB LEU A 34 -20.673 -1.904 7.178 1.00 1.01 C ATOM 473 CG LEU A 34 -21.370 -1.835 8.534 1.00 1.22 C ATOM 474 CD1 LEU A 34 -22.864 -2.103 8.391 1.00 1.45 C ATOM 475 CD2 LEU A 34 -20.733 -2.807 9.512 1.00 1.47 C ATOM 0 H LEU A 34 -20.201 -2.011 4.773 1.00 0.87 H new ATOM 0 HA LEU A 34 -22.107 -0.594 6.272 1.00 0.89 H new ATOM 0 HB2 LEU A 34 -20.927 -2.850 6.699 1.00 1.01 H new ATOM 0 HB3 LEU A 34 -19.595 -1.906 7.336 1.00 1.01 H new ATOM 0 HG LEU A 34 -21.248 -0.827 8.930 1.00 1.22 H new ATOM 0 HD11 LEU A 34 -23.339 -2.048 9.371 1.00 1.45 H new ATOM 0 HD12 LEU A 34 -23.306 -1.356 7.731 1.00 1.45 H new ATOM 0 HD13 LEU A 34 -23.017 -3.096 7.969 1.00 1.45 H new ATOM 0 HD21 LEU A 34 -21.243 -2.743 10.473 1.00 1.47 H new ATOM 0 HD22 LEU A 34 -20.817 -3.822 9.123 1.00 1.47 H new ATOM 0 HD23 LEU A 34 -19.681 -2.554 9.643 1.00 1.47 H new ATOM 487 N LYS A 35 -19.023 0.552 6.431 1.00 0.76 N ATOM 488 CA LYS A 35 -18.217 1.737 6.664 1.00 0.76 C ATOM 489 C LYS A 35 -17.060 1.737 5.681 1.00 0.65 C ATOM 490 O LYS A 35 -16.732 0.677 5.147 1.00 0.75 O ATOM 491 CB LYS A 35 -17.727 1.807 8.129 1.00 0.90 C ATOM 492 CG LYS A 35 -17.173 0.505 8.718 1.00 0.92 C ATOM 493 CD LYS A 35 -15.891 0.052 8.040 1.00 0.90 C ATOM 494 CE LYS A 35 -15.082 -0.891 8.920 1.00 1.00 C ATOM 495 NZ LYS A 35 -14.383 -0.161 10.016 1.00 1.40 N ATOM 0 H LYS A 35 -18.495 -0.245 6.076 1.00 0.76 H new ATOM 0 HA LYS A 35 -18.823 2.629 6.503 1.00 0.76 H new ATOM 0 HB2 LYS A 35 -16.952 2.571 8.195 1.00 0.90 H new ATOM 0 HB3 LYS A 35 -18.557 2.140 8.753 1.00 0.90 H new ATOM 0 HG2 LYS A 35 -16.986 0.644 9.783 1.00 0.92 H new ATOM 0 HG3 LYS A 35 -17.924 -0.279 8.626 1.00 0.92 H new ATOM 0 HD2 LYS A 35 -16.134 -0.447 7.102 1.00 0.90 H new ATOM 0 HD3 LYS A 35 -15.286 0.923 7.790 1.00 0.90 H new ATOM 0 HE2 LYS A 35 -15.742 -1.645 9.349 1.00 1.00 H new ATOM 0 HE3 LYS A 35 -14.349 -1.419 8.310 1.00 1.00 H new ATOM 0 HZ1 LYS A 35 -13.713 -0.802 10.488 1.00 1.40 H new ATOM 0 HZ2 LYS A 35 -13.866 0.649 9.619 1.00 1.40 H new ATOM 0 HZ3 LYS A 35 -15.082 0.179 10.707 1.00 1.40 H new ATOM 509 N PRO A 36 -16.456 2.909 5.403 1.00 0.65 N ATOM 510 CA PRO A 36 -15.309 3.026 4.491 1.00 0.56 C ATOM 511 C PRO A 36 -14.286 1.916 4.703 1.00 0.45 C ATOM 512 O PRO A 36 -14.004 1.559 5.853 1.00 0.47 O ATOM 513 CB PRO A 36 -14.716 4.380 4.874 1.00 0.61 C ATOM 514 CG PRO A 36 -15.889 5.188 5.295 1.00 0.88 C ATOM 515 CD PRO A 36 -16.844 4.225 5.955 1.00 0.88 C ATOM 0 HA PRO A 36 -15.599 2.944 3.443 1.00 0.56 H new ATOM 0 HB2 PRO A 36 -13.990 4.282 5.681 1.00 0.61 H new ATOM 0 HB3 PRO A 36 -14.198 4.840 4.033 1.00 0.61 H new ATOM 0 HG2 PRO A 36 -15.591 5.977 5.986 1.00 0.88 H new ATOM 0 HG3 PRO A 36 -16.355 5.674 4.438 1.00 0.88 H new ATOM 0 HD2 PRO A 36 -16.748 4.247 7.041 1.00 0.88 H new ATOM 0 HD3 PRO A 36 -17.881 4.467 5.722 1.00 0.88 H new ATOM 523 N PRO A 37 -13.704 1.356 3.618 1.00 0.40 N ATOM 524 CA PRO A 37 -12.798 0.220 3.753 1.00 0.35 C ATOM 525 C PRO A 37 -11.645 0.493 4.702 1.00 0.32 C ATOM 526 O PRO A 37 -11.087 1.593 4.738 1.00 0.36 O ATOM 527 CB PRO A 37 -12.239 -0.023 2.362 1.00 0.40 C ATOM 528 CG PRO A 37 -13.019 0.829 1.413 1.00 0.53 C ATOM 529 CD PRO A 37 -13.840 1.807 2.210 1.00 0.47 C ATOM 0 HA PRO A 37 -13.339 -0.633 4.162 1.00 0.35 H new ATOM 0 HB2 PRO A 37 -11.180 0.231 2.324 1.00 0.40 H new ATOM 0 HB3 PRO A 37 -12.324 -1.076 2.092 1.00 0.40 H new ATOM 0 HG2 PRO A 37 -12.346 1.360 0.740 1.00 0.53 H new ATOM 0 HG3 PRO A 37 -13.666 0.209 0.792 1.00 0.53 H new ATOM 0 HD2 PRO A 37 -13.474 2.826 2.084 1.00 0.47 H new ATOM 0 HD3 PRO A 37 -14.882 1.801 1.891 1.00 0.47 H new ATOM 537 N VAL A 38 -11.284 -0.520 5.462 1.00 0.29 N ATOM 538 CA VAL A 38 -10.142 -0.440 6.320 1.00 0.27 C ATOM 539 C VAL A 38 -9.030 -1.111 5.599 1.00 0.22 C ATOM 540 O VAL A 38 -8.995 -2.330 5.444 1.00 0.20 O ATOM 541 CB VAL A 38 -10.289 -1.143 7.664 1.00 0.31 C ATOM 542 CG1 VAL A 38 -9.405 -0.481 8.715 1.00 0.72 C ATOM 543 CG2 VAL A 38 -11.735 -1.206 8.104 1.00 0.77 C ATOM 0 H VAL A 38 -11.777 -1.412 5.496 1.00 0.29 H new ATOM 0 HA VAL A 38 -9.983 0.615 6.541 1.00 0.27 H new ATOM 0 HB VAL A 38 -9.952 -2.173 7.546 1.00 0.31 H new ATOM 0 HG11 VAL A 38 -9.524 -0.997 9.668 1.00 0.72 H new ATOM 0 HG12 VAL A 38 -8.363 -0.535 8.400 1.00 0.72 H new ATOM 0 HG13 VAL A 38 -9.696 0.563 8.829 1.00 0.72 H new ATOM 0 HG21 VAL A 38 -11.801 -1.714 9.066 1.00 0.77 H new ATOM 0 HG22 VAL A 38 -12.131 -0.195 8.200 1.00 0.77 H new ATOM 0 HG23 VAL A 38 -12.317 -1.755 7.364 1.00 0.77 H new ATOM 553 N VAL A 39 -8.168 -0.302 5.138 1.00 0.22 N ATOM 554 CA VAL A 39 -7.019 -0.733 4.417 1.00 0.21 C ATOM 555 C VAL A 39 -5.816 -0.509 5.282 1.00 0.20 C ATOM 556 O VAL A 39 -5.466 0.620 5.623 1.00 0.23 O ATOM 557 CB VAL A 39 -6.799 0.059 3.131 1.00 0.24 C ATOM 558 CG1 VAL A 39 -5.886 -0.699 2.181 1.00 0.28 C ATOM 559 CG2 VAL A 39 -8.120 0.424 2.481 1.00 0.24 C ATOM 0 H VAL A 39 -8.232 0.710 5.248 1.00 0.22 H new ATOM 0 HA VAL A 39 -7.170 -1.781 4.157 1.00 0.21 H new ATOM 0 HB VAL A 39 -6.300 0.994 3.385 1.00 0.24 H new ATOM 0 HG11 VAL A 39 -5.743 -0.116 1.271 1.00 0.28 H new ATOM 0 HG12 VAL A 39 -4.921 -0.867 2.660 1.00 0.28 H new ATOM 0 HG13 VAL A 39 -6.338 -1.658 1.930 1.00 0.28 H new ATOM 0 HG21 VAL A 39 -7.932 0.988 1.567 1.00 0.24 H new ATOM 0 HG22 VAL A 39 -8.670 -0.485 2.240 1.00 0.24 H new ATOM 0 HG23 VAL A 39 -8.708 1.032 3.168 1.00 0.24 H new ATOM 569 N LYS A 40 -5.212 -1.579 5.631 1.00 0.19 N ATOM 570 CA LYS A 40 -4.005 -1.563 6.373 1.00 0.20 C ATOM 571 C LYS A 40 -2.853 -1.888 5.482 1.00 0.19 C ATOM 572 O LYS A 40 -2.871 -2.814 4.668 1.00 0.21 O ATOM 573 CB LYS A 40 -4.064 -2.527 7.544 1.00 0.26 C ATOM 574 CG LYS A 40 -4.439 -3.943 7.151 1.00 0.31 C ATOM 575 CD LYS A 40 -3.210 -4.787 6.818 1.00 0.37 C ATOM 576 CE LYS A 40 -2.678 -5.509 8.041 1.00 0.86 C ATOM 577 NZ LYS A 40 -3.575 -6.619 8.454 1.00 1.54 N ATOM 0 H LYS A 40 -5.548 -2.515 5.405 1.00 0.19 H new ATOM 0 HA LYS A 40 -3.867 -0.561 6.778 1.00 0.20 H new ATOM 0 HB2 LYS A 40 -3.093 -2.542 8.040 1.00 0.26 H new ATOM 0 HB3 LYS A 40 -4.787 -2.158 8.271 1.00 0.26 H new ATOM 0 HG2 LYS A 40 -4.991 -4.412 7.966 1.00 0.31 H new ATOM 0 HG3 LYS A 40 -5.105 -3.916 6.289 1.00 0.31 H new ATOM 0 HD2 LYS A 40 -3.466 -5.515 6.048 1.00 0.37 H new ATOM 0 HD3 LYS A 40 -2.430 -4.147 6.405 1.00 0.37 H new ATOM 0 HE2 LYS A 40 -1.684 -5.903 7.828 1.00 0.86 H new ATOM 0 HE3 LYS A 40 -2.571 -4.802 8.864 1.00 0.86 H new ATOM 0 HZ1 LYS A 40 -3.078 -7.233 9.131 1.00 1.54 H new ATOM 0 HZ2 LYS A 40 -4.428 -6.228 8.903 1.00 1.54 H new ATOM 0 HZ3 LYS A 40 -3.848 -7.174 7.618 1.00 1.54 H new ATOM 591 N TRP A 41 -1.900 -1.051 5.604 1.00 0.18 N ATOM 592 CA TRP A 41 -0.636 -1.228 4.960 1.00 0.19 C ATOM 593 C TRP A 41 0.371 -1.908 5.867 1.00 0.21 C ATOM 594 O TRP A 41 0.406 -1.689 7.076 1.00 0.28 O ATOM 595 CB TRP A 41 -0.115 0.120 4.545 1.00 0.21 C ATOM 596 CG TRP A 41 -0.934 0.732 3.482 1.00 0.21 C ATOM 597 CD1 TRP A 41 -2.046 1.501 3.634 1.00 0.23 C ATOM 598 CD2 TRP A 41 -0.713 0.601 2.095 1.00 0.23 C ATOM 599 NE1 TRP A 41 -2.487 1.913 2.396 1.00 0.24 N ATOM 600 CE2 TRP A 41 -1.699 1.347 1.442 1.00 0.23 C ATOM 601 CE3 TRP A 41 0.235 -0.075 1.340 1.00 0.29 C ATOM 602 CZ2 TRP A 41 -1.763 1.437 0.066 1.00 0.27 C ATOM 603 CZ3 TRP A 41 0.168 0.015 -0.023 1.00 0.34 C ATOM 604 CH2 TRP A 41 -0.824 0.759 -0.648 1.00 0.33 C ATOM 0 H TRP A 41 -1.965 -0.201 6.164 1.00 0.18 H new ATOM 0 HA TRP A 41 -0.778 -1.871 4.091 1.00 0.19 H new ATOM 0 HB2 TRP A 41 -0.094 0.782 5.411 1.00 0.21 H new ATOM 0 HB3 TRP A 41 0.913 0.019 4.196 1.00 0.21 H new ATOM 0 HD1 TRP A 41 -2.510 1.749 4.577 1.00 0.23 H new ATOM 0 HE1 TRP A 41 -3.274 2.539 2.223 1.00 0.24 H new ATOM 0 HE3 TRP A 41 1.008 -0.659 1.818 1.00 0.29 H new ATOM 0 HZ2 TRP A 41 -2.527 2.022 -0.424 1.00 0.27 H new ATOM 0 HZ3 TRP A 41 0.901 -0.502 -0.625 1.00 0.34 H new ATOM 0 HH2 TRP A 41 -0.851 0.800 -1.727 1.00 0.33 H new ATOM 615 N PHE A 42 1.199 -2.710 5.247 1.00 0.21 N ATOM 616 CA PHE A 42 2.314 -3.348 5.900 1.00 0.23 C ATOM 617 C PHE A 42 3.517 -3.010 5.069 1.00 0.26 C ATOM 618 O PHE A 42 3.471 -3.150 3.857 1.00 0.34 O ATOM 619 CB PHE A 42 2.134 -4.863 5.935 1.00 0.26 C ATOM 620 CG PHE A 42 3.105 -5.597 6.822 1.00 0.30 C ATOM 621 CD1 PHE A 42 4.394 -5.890 6.385 1.00 0.37 C ATOM 622 CD2 PHE A 42 2.724 -6.009 8.089 1.00 0.49 C ATOM 623 CE1 PHE A 42 5.278 -6.575 7.201 1.00 0.50 C ATOM 624 CE2 PHE A 42 3.603 -6.693 8.905 1.00 0.62 C ATOM 625 CZ PHE A 42 4.878 -6.978 8.460 1.00 0.60 C ATOM 0 H PHE A 42 1.116 -2.942 4.257 1.00 0.21 H new ATOM 0 HA PHE A 42 2.408 -3.008 6.931 1.00 0.23 H new ATOM 0 HB2 PHE A 42 1.120 -5.086 6.268 1.00 0.26 H new ATOM 0 HB3 PHE A 42 2.228 -5.249 4.920 1.00 0.26 H new ATOM 0 HD1 PHE A 42 4.708 -5.580 5.399 1.00 0.37 H new ATOM 0 HD2 PHE A 42 1.727 -5.792 8.443 1.00 0.49 H new ATOM 0 HE1 PHE A 42 6.277 -6.794 6.854 1.00 0.50 H new ATOM 0 HE2 PHE A 42 3.293 -7.005 9.891 1.00 0.62 H new ATOM 0 HZ PHE A 42 5.564 -7.517 9.097 1.00 0.60 H new ATOM 635 N LYS A 43 4.570 -2.551 5.681 1.00 0.28 N ATOM 636 CA LYS A 43 5.729 -2.174 4.922 1.00 0.31 C ATOM 637 C LYS A 43 6.757 -3.247 5.106 1.00 0.39 C ATOM 638 O LYS A 43 7.280 -3.404 6.213 1.00 0.81 O ATOM 639 CB LYS A 43 6.314 -0.857 5.378 1.00 0.40 C ATOM 640 CG LYS A 43 7.719 -0.644 4.848 1.00 0.54 C ATOM 641 CD LYS A 43 8.234 0.733 5.167 1.00 0.67 C ATOM 642 CE LYS A 43 8.385 0.943 6.659 1.00 1.29 C ATOM 643 NZ LYS A 43 9.016 2.253 6.962 1.00 2.17 N ATOM 0 H LYS A 43 4.652 -2.429 6.690 1.00 0.28 H new ATOM 0 HA LYS A 43 5.437 -2.056 3.878 1.00 0.31 H new ATOM 0 HB2 LYS A 43 5.673 -0.041 5.044 1.00 0.40 H new ATOM 0 HB3 LYS A 43 6.329 -0.825 6.467 1.00 0.40 H new ATOM 0 HG2 LYS A 43 8.387 -1.390 5.278 1.00 0.54 H new ATOM 0 HG3 LYS A 43 7.727 -0.794 3.768 1.00 0.54 H new ATOM 0 HD2 LYS A 43 9.197 0.883 4.679 1.00 0.67 H new ATOM 0 HD3 LYS A 43 7.551 1.480 4.762 1.00 0.67 H new ATOM 0 HE2 LYS A 43 7.406 0.890 7.136 1.00 1.29 H new ATOM 0 HE3 LYS A 43 8.989 0.140 7.081 1.00 1.29 H new ATOM 0 HZ1 LYS A 43 9.381 2.245 7.936 1.00 2.17 H new ATOM 0 HZ2 LYS A 43 9.799 2.422 6.299 1.00 2.17 H new ATOM 0 HZ3 LYS A 43 8.309 3.010 6.863 1.00 2.17 H new ATOM 657 N GLY A 44 7.059 -3.996 4.080 1.00 0.64 N ATOM 658 CA GLY A 44 7.869 -5.145 4.354 1.00 0.92 C ATOM 659 C GLY A 44 9.326 -4.855 4.464 1.00 0.39 C ATOM 660 O GLY A 44 10.058 -4.831 3.486 1.00 1.23 O ATOM 0 H GLY A 44 6.779 -3.847 3.111 1.00 0.64 H new ATOM 0 HA2 GLY A 44 7.530 -5.601 5.284 1.00 0.92 H new ATOM 0 HA3 GLY A 44 7.715 -5.880 3.564 1.00 0.92 H new ATOM 664 N LYS A 45 9.719 -4.617 5.678 1.00 0.85 N ATOM 665 CA LYS A 45 10.889 -5.188 6.253 1.00 1.06 C ATOM 666 C LYS A 45 10.321 -6.219 7.217 1.00 0.74 C ATOM 667 O LYS A 45 10.607 -7.415 7.189 1.00 0.82 O ATOM 668 CB LYS A 45 11.693 -4.109 6.983 1.00 1.67 C ATOM 669 CG LYS A 45 13.191 -4.322 6.965 1.00 2.44 C ATOM 670 CD LYS A 45 13.909 -3.120 7.554 1.00 2.82 C ATOM 671 CE LYS A 45 15.067 -3.540 8.443 1.00 2.98 C ATOM 672 NZ LYS A 45 16.184 -4.118 7.665 1.00 3.87 N ATOM 0 H LYS A 45 9.214 -3.999 6.313 1.00 0.85 H new ATOM 0 HA LYS A 45 11.576 -5.627 5.529 1.00 1.06 H new ATOM 0 HB2 LYS A 45 11.471 -3.141 6.533 1.00 1.67 H new ATOM 0 HB3 LYS A 45 11.358 -4.063 8.019 1.00 1.67 H new ATOM 0 HG2 LYS A 45 13.443 -5.217 7.533 1.00 2.44 H new ATOM 0 HG3 LYS A 45 13.528 -4.488 5.942 1.00 2.44 H new ATOM 0 HD2 LYS A 45 14.279 -2.486 6.748 1.00 2.82 H new ATOM 0 HD3 LYS A 45 13.204 -2.522 8.132 1.00 2.82 H new ATOM 0 HE2 LYS A 45 15.425 -2.676 9.004 1.00 2.98 H new ATOM 0 HE3 LYS A 45 14.717 -4.271 9.172 1.00 2.98 H new ATOM 0 HZ1 LYS A 45 16.535 -4.972 8.144 1.00 3.87 H new ATOM 0 HZ2 LYS A 45 15.851 -4.368 6.712 1.00 3.87 H new ATOM 0 HZ3 LYS A 45 16.953 -3.421 7.591 1.00 3.87 H new ATOM 686 N TRP A 46 9.444 -5.642 8.045 1.00 0.58 N ATOM 687 CA TRP A 46 8.645 -6.314 9.068 1.00 0.57 C ATOM 688 C TRP A 46 7.544 -5.378 9.611 1.00 0.63 C ATOM 689 O TRP A 46 6.774 -5.736 10.503 1.00 0.74 O ATOM 690 CB TRP A 46 9.546 -6.629 10.233 1.00 0.76 C ATOM 691 CG TRP A 46 10.444 -5.477 10.559 1.00 0.97 C ATOM 692 CD1 TRP A 46 11.568 -5.124 9.890 1.00 1.19 C ATOM 693 CD2 TRP A 46 10.282 -4.519 11.605 1.00 1.27 C ATOM 694 NE1 TRP A 46 12.081 -3.963 10.390 1.00 1.38 N ATOM 695 CE2 TRP A 46 11.331 -3.588 11.479 1.00 1.42 C ATOM 696 CE3 TRP A 46 9.347 -4.354 12.629 1.00 1.66 C ATOM 697 CZ2 TRP A 46 11.462 -2.502 12.341 1.00 1.78 C ATOM 698 CZ3 TRP A 46 9.482 -3.282 13.486 1.00 2.10 C ATOM 699 CH2 TRP A 46 10.533 -2.368 13.339 1.00 2.11 C ATOM 0 H TRP A 46 9.265 -4.638 8.016 1.00 0.58 H new ATOM 0 HA TRP A 46 8.197 -7.204 8.626 1.00 0.57 H new ATOM 0 HB2 TRP A 46 8.941 -6.878 11.105 1.00 0.76 H new ATOM 0 HB3 TRP A 46 10.149 -7.507 10.001 1.00 0.76 H new ATOM 0 HD1 TRP A 46 11.999 -5.685 9.073 1.00 1.19 H new ATOM 0 HE1 TRP A 46 12.886 -3.458 10.018 1.00 1.38 H new ATOM 0 HE3 TRP A 46 8.533 -5.053 12.748 1.00 1.66 H new ATOM 0 HZ2 TRP A 46 12.267 -1.791 12.227 1.00 1.78 H new ATOM 0 HZ3 TRP A 46 8.766 -3.145 14.283 1.00 2.10 H new ATOM 0 HH2 TRP A 46 10.613 -1.540 14.027 1.00 2.11 H new ATOM 710 N VAL A 47 7.514 -4.173 9.070 1.00 0.63 N ATOM 711 CA VAL A 47 6.905 -3.036 9.652 1.00 0.74 C ATOM 712 C VAL A 47 5.511 -2.776 9.139 1.00 0.59 C ATOM 713 O VAL A 47 5.008 -3.388 8.206 1.00 0.57 O ATOM 714 CB VAL A 47 7.748 -1.767 9.420 1.00 0.90 C ATOM 715 CG1 VAL A 47 8.197 -1.203 10.746 1.00 1.20 C ATOM 716 CG2 VAL A 47 8.954 -2.023 8.521 1.00 1.29 C ATOM 0 H VAL A 47 7.942 -3.973 8.166 1.00 0.63 H new ATOM 0 HA VAL A 47 6.842 -3.263 10.716 1.00 0.74 H new ATOM 0 HB VAL A 47 7.115 -1.044 8.905 1.00 0.90 H new ATOM 0 HG11 VAL A 47 8.793 -0.306 10.577 1.00 1.20 H new ATOM 0 HG12 VAL A 47 7.324 -0.951 11.348 1.00 1.20 H new ATOM 0 HG13 VAL A 47 8.799 -1.944 11.272 1.00 1.20 H new ATOM 0 HG21 VAL A 47 9.513 -1.097 8.390 1.00 1.29 H new ATOM 0 HG22 VAL A 47 9.597 -2.774 8.980 1.00 1.29 H new ATOM 0 HG23 VAL A 47 8.614 -2.382 7.550 1.00 1.29 H new ATOM 726 N ASP A 48 4.947 -1.820 9.793 1.00 0.60 N ATOM 727 CA ASP A 48 3.671 -1.238 9.496 1.00 0.56 C ATOM 728 C ASP A 48 3.962 0.151 8.991 1.00 0.58 C ATOM 729 O ASP A 48 4.908 0.770 9.456 1.00 0.96 O ATOM 730 CB ASP A 48 2.857 -1.151 10.780 1.00 0.73 C ATOM 731 CG ASP A 48 1.460 -0.601 10.586 1.00 1.88 C ATOM 732 OD1 ASP A 48 1.324 0.624 10.388 1.00 2.22 O ATOM 733 OD2 ASP A 48 0.500 -1.394 10.603 1.00 2.73 O ATOM 0 H ASP A 48 5.390 -1.391 10.605 1.00 0.60 H new ATOM 0 HA ASP A 48 3.111 -1.823 8.766 1.00 0.56 H new ATOM 0 HB2 ASP A 48 2.787 -2.145 11.222 1.00 0.73 H new ATOM 0 HB3 ASP A 48 3.389 -0.521 11.493 1.00 0.73 H new ATOM 738 N LEU A 49 3.197 0.643 8.060 1.00 0.39 N ATOM 739 CA LEU A 49 3.455 1.968 7.527 1.00 0.35 C ATOM 740 C LEU A 49 2.915 3.045 8.428 1.00 0.41 C ATOM 741 O LEU A 49 3.582 4.046 8.628 1.00 0.44 O ATOM 742 CB LEU A 49 2.867 2.187 6.130 1.00 0.29 C ATOM 743 CG LEU A 49 3.591 1.574 4.926 1.00 0.25 C ATOM 744 CD1 LEU A 49 3.196 0.151 4.672 1.00 0.36 C ATOM 745 CD2 LEU A 49 3.247 2.344 3.693 1.00 0.28 C ATOM 0 H LEU A 49 2.396 0.161 7.652 1.00 0.39 H new ATOM 0 HA LEU A 49 4.541 2.032 7.463 1.00 0.35 H new ATOM 0 HB2 LEU A 49 1.848 1.801 6.135 1.00 0.29 H new ATOM 0 HB3 LEU A 49 2.800 3.262 5.964 1.00 0.29 H new ATOM 0 HG LEU A 49 4.656 1.612 5.157 1.00 0.25 H new ATOM 0 HD11 LEU A 49 3.741 -0.229 3.808 1.00 0.36 H new ATOM 0 HD12 LEU A 49 3.434 -0.454 5.546 1.00 0.36 H new ATOM 0 HD13 LEU A 49 2.125 0.100 4.477 1.00 0.36 H new ATOM 0 HD21 LEU A 49 3.762 1.908 2.837 1.00 0.28 H new ATOM 0 HD22 LEU A 49 2.170 2.304 3.528 1.00 0.28 H new ATOM 0 HD23 LEU A 49 3.558 3.382 3.814 1.00 0.28 H new ATOM 757 N SER A 50 1.759 2.821 9.020 1.00 0.48 N ATOM 758 CA SER A 50 1.046 3.867 9.727 1.00 0.58 C ATOM 759 C SER A 50 1.899 4.342 10.887 1.00 0.62 C ATOM 760 O SER A 50 1.715 5.436 11.423 1.00 0.70 O ATOM 761 CB SER A 50 -0.321 3.358 10.206 1.00 0.73 C ATOM 762 OG SER A 50 -1.121 4.417 10.706 1.00 1.23 O ATOM 0 H SER A 50 1.290 1.915 9.025 1.00 0.48 H new ATOM 0 HA SER A 50 0.860 4.707 9.058 1.00 0.58 H new ATOM 0 HB2 SER A 50 -0.838 2.868 9.381 1.00 0.73 H new ATOM 0 HB3 SER A 50 -0.179 2.608 10.984 1.00 0.73 H new ATOM 0 HG SER A 50 -1.985 4.062 11.002 1.00 1.23 H new ATOM 768 N SER A 51 2.856 3.503 11.249 1.00 0.64 N ATOM 769 CA SER A 51 3.727 3.784 12.341 1.00 0.75 C ATOM 770 C SER A 51 4.899 4.654 11.911 1.00 0.72 C ATOM 771 O SER A 51 5.540 5.321 12.724 1.00 0.85 O ATOM 772 CB SER A 51 4.231 2.482 12.938 1.00 0.90 C ATOM 773 OG SER A 51 3.215 1.821 13.670 1.00 1.34 O ATOM 0 H SER A 51 3.038 2.613 10.785 1.00 0.64 H new ATOM 0 HA SER A 51 3.164 4.338 13.093 1.00 0.75 H new ATOM 0 HB2 SER A 51 4.590 1.830 12.142 1.00 0.90 H new ATOM 0 HB3 SER A 51 5.079 2.684 13.592 1.00 0.90 H new ATOM 0 HG SER A 51 3.569 0.986 14.040 1.00 1.34 H new ATOM 779 N LYS A 52 5.186 4.613 10.624 1.00 0.62 N ATOM 780 CA LYS A 52 6.338 5.274 10.068 1.00 0.66 C ATOM 781 C LYS A 52 5.940 6.488 9.227 1.00 0.67 C ATOM 782 O LYS A 52 6.239 7.621 9.596 1.00 1.09 O ATOM 783 CB LYS A 52 7.117 4.265 9.219 1.00 0.65 C ATOM 784 CG LYS A 52 6.842 2.802 9.545 1.00 0.70 C ATOM 785 CD LYS A 52 7.138 2.421 10.997 1.00 0.78 C ATOM 786 CE LYS A 52 8.617 2.546 11.342 1.00 1.02 C ATOM 787 NZ LYS A 52 8.891 2.271 12.780 1.00 1.40 N ATOM 0 H LYS A 52 4.620 4.116 9.936 1.00 0.62 H new ATOM 0 HA LYS A 52 6.963 5.641 10.882 1.00 0.66 H new ATOM 0 HB2 LYS A 52 6.882 4.438 8.169 1.00 0.65 H new ATOM 0 HB3 LYS A 52 8.183 4.455 9.343 1.00 0.65 H new ATOM 0 HG2 LYS A 52 5.796 2.583 9.329 1.00 0.70 H new ATOM 0 HG3 LYS A 52 7.442 2.175 8.886 1.00 0.70 H new ATOM 0 HD2 LYS A 52 6.557 3.060 11.663 1.00 0.78 H new ATOM 0 HD3 LYS A 52 6.812 1.396 11.174 1.00 0.78 H new ATOM 0 HE2 LYS A 52 9.190 1.853 10.727 1.00 1.02 H new ATOM 0 HE3 LYS A 52 8.961 3.550 11.095 1.00 1.02 H new ATOM 0 HZ1 LYS A 52 9.910 2.369 12.964 1.00 1.40 H new ATOM 0 HZ2 LYS A 52 8.366 2.949 13.369 1.00 1.40 H new ATOM 0 HZ3 LYS A 52 8.589 1.303 13.012 1.00 1.40 H new ATOM 801 N VAL A 53 5.282 6.187 8.102 1.00 0.34 N ATOM 802 CA VAL A 53 4.753 7.134 7.117 1.00 0.32 C ATOM 803 C VAL A 53 5.172 8.573 7.360 1.00 0.33 C ATOM 804 O VAL A 53 4.549 9.329 8.112 1.00 0.37 O ATOM 805 CB VAL A 53 3.219 6.969 7.031 1.00 0.32 C ATOM 806 CG1 VAL A 53 2.535 8.049 6.217 1.00 0.34 C ATOM 807 CG2 VAL A 53 2.891 5.634 6.420 1.00 0.35 C ATOM 0 H VAL A 53 5.094 5.219 7.840 1.00 0.34 H new ATOM 0 HA VAL A 53 5.196 6.892 6.151 1.00 0.32 H new ATOM 0 HB VAL A 53 2.847 7.047 8.053 1.00 0.32 H new ATOM 0 HG11 VAL A 53 1.460 7.867 6.201 1.00 0.34 H new ATOM 0 HG12 VAL A 53 2.732 9.023 6.666 1.00 0.34 H new ATOM 0 HG13 VAL A 53 2.920 8.035 5.197 1.00 0.34 H new ATOM 0 HG21 VAL A 53 1.809 5.518 6.359 1.00 0.35 H new ATOM 0 HG22 VAL A 53 3.319 5.577 5.419 1.00 0.35 H new ATOM 0 HG23 VAL A 53 3.307 4.839 7.038 1.00 0.35 H new ATOM 817 N GLY A 54 6.266 8.909 6.717 1.00 0.35 N ATOM 818 CA GLY A 54 6.845 10.226 6.845 1.00 0.41 C ATOM 819 C GLY A 54 7.605 10.670 5.609 1.00 0.44 C ATOM 820 O GLY A 54 7.159 10.454 4.487 1.00 0.70 O ATOM 0 H GLY A 54 6.777 8.282 6.095 1.00 0.35 H new ATOM 0 HA2 GLY A 54 6.053 10.945 7.054 1.00 0.41 H new ATOM 0 HA3 GLY A 54 7.519 10.237 7.701 1.00 0.41 H new ATOM 824 N GLN A 55 8.782 11.250 5.825 1.00 0.36 N ATOM 825 CA GLN A 55 9.522 11.953 4.772 1.00 0.43 C ATOM 826 C GLN A 55 9.903 11.069 3.585 1.00 0.39 C ATOM 827 O GLN A 55 9.908 11.537 2.448 1.00 0.50 O ATOM 828 CB GLN A 55 10.790 12.599 5.336 1.00 0.61 C ATOM 829 CG GLN A 55 10.547 13.824 6.210 1.00 1.43 C ATOM 830 CD GLN A 55 9.763 13.512 7.467 1.00 2.08 C ATOM 831 OE1 GLN A 55 8.537 13.619 7.494 1.00 2.75 O ATOM 832 NE2 GLN A 55 10.465 13.092 8.504 1.00 2.69 N ATOM 0 H GLN A 55 9.252 11.248 6.730 1.00 0.36 H new ATOM 0 HA GLN A 55 8.836 12.714 4.401 1.00 0.43 H new ATOM 0 HB2 GLN A 55 11.332 11.855 5.920 1.00 0.61 H new ATOM 0 HB3 GLN A 55 11.436 12.884 4.506 1.00 0.61 H new ATOM 0 HG2 GLN A 55 11.506 14.261 6.487 1.00 1.43 H new ATOM 0 HG3 GLN A 55 10.010 14.575 5.631 1.00 1.43 H new ATOM 0 HE21 GLN A 55 11.480 13.019 8.437 1.00 2.69 H new ATOM 0 HE22 GLN A 55 9.992 12.841 9.372 1.00 2.69 H new ATOM 841 N HIS A 56 10.246 9.808 3.827 1.00 0.36 N ATOM 842 CA HIS A 56 10.675 8.949 2.725 1.00 0.41 C ATOM 843 C HIS A 56 9.538 8.071 2.232 1.00 0.35 C ATOM 844 O HIS A 56 9.420 7.812 1.052 1.00 0.42 O ATOM 845 CB HIS A 56 11.906 8.116 3.108 1.00 0.54 C ATOM 846 CG HIS A 56 11.648 6.837 3.846 1.00 0.58 C ATOM 847 ND1 HIS A 56 11.249 5.685 3.215 1.00 0.87 N ATOM 848 CD2 HIS A 56 11.778 6.522 5.155 1.00 1.06 C ATOM 849 CE1 HIS A 56 11.139 4.714 4.098 1.00 1.11 C ATOM 850 NE2 HIS A 56 11.460 5.187 5.294 1.00 1.33 N ATOM 0 H HIS A 56 10.237 9.366 4.746 1.00 0.36 H new ATOM 0 HA HIS A 56 10.967 9.598 1.899 1.00 0.41 H new ATOM 0 HB2 HIS A 56 12.454 7.879 2.196 1.00 0.54 H new ATOM 0 HB3 HIS A 56 12.560 8.737 3.720 1.00 0.54 H new ATOM 0 HD2 HIS A 56 12.076 7.193 5.947 1.00 1.06 H new ATOM 0 HE1 HIS A 56 10.837 3.700 3.883 1.00 1.11 H new ATOM 0 HE2 HIS A 56 11.470 4.656 6.165 1.00 1.33 H new ATOM 859 N LEU A 57 8.716 7.625 3.151 1.00 0.28 N ATOM 860 CA LEU A 57 7.505 6.886 2.829 1.00 0.25 C ATOM 861 C LEU A 57 6.337 7.712 3.298 1.00 0.23 C ATOM 862 O LEU A 57 6.042 7.745 4.478 1.00 0.29 O ATOM 863 CB LEU A 57 7.548 5.508 3.561 1.00 0.38 C ATOM 864 CG LEU A 57 6.291 4.576 3.638 1.00 0.28 C ATOM 865 CD1 LEU A 57 5.946 4.311 5.090 1.00 1.11 C ATOM 866 CD2 LEU A 57 5.071 5.112 2.898 1.00 1.10 C ATOM 0 H LEU A 57 8.863 7.762 4.151 1.00 0.28 H new ATOM 0 HA LEU A 57 7.415 6.700 1.759 1.00 0.25 H new ATOM 0 HB2 LEU A 57 8.343 4.927 3.094 1.00 0.38 H new ATOM 0 HB3 LEU A 57 7.858 5.705 4.587 1.00 0.38 H new ATOM 0 HG LEU A 57 6.562 3.650 3.130 1.00 0.28 H new ATOM 0 HD11 LEU A 57 5.071 3.663 5.144 1.00 1.11 H new ATOM 0 HD12 LEU A 57 6.789 3.825 5.581 1.00 1.11 H new ATOM 0 HD13 LEU A 57 5.729 5.255 5.591 1.00 1.11 H new ATOM 0 HD21 LEU A 57 4.245 4.408 3.000 1.00 1.10 H new ATOM 0 HD22 LEU A 57 4.782 6.074 3.321 1.00 1.10 H new ATOM 0 HD23 LEU A 57 5.312 5.238 1.842 1.00 1.10 H new ATOM 878 N GLN A 58 5.668 8.350 2.371 1.00 0.20 N ATOM 879 CA GLN A 58 4.403 8.926 2.630 1.00 0.21 C ATOM 880 C GLN A 58 3.383 7.963 2.105 1.00 0.18 C ATOM 881 O GLN A 58 3.300 7.700 0.908 1.00 0.19 O ATOM 882 CB GLN A 58 4.230 10.265 1.912 1.00 0.27 C ATOM 883 CG GLN A 58 5.362 11.258 2.108 1.00 0.46 C ATOM 884 CD GLN A 58 6.508 11.060 1.142 1.00 0.32 C ATOM 885 OE1 GLN A 58 6.497 11.594 0.033 1.00 0.76 O ATOM 886 NE2 GLN A 58 7.520 10.335 1.564 1.00 0.28 N ATOM 0 H GLN A 58 6.000 8.477 1.415 1.00 0.20 H new ATOM 0 HA GLN A 58 4.296 9.112 3.699 1.00 0.21 H new ATOM 0 HB2 GLN A 58 4.117 10.074 0.845 1.00 0.27 H new ATOM 0 HB3 GLN A 58 3.303 10.724 2.254 1.00 0.27 H new ATOM 0 HG2 GLN A 58 4.972 12.269 1.995 1.00 0.46 H new ATOM 0 HG3 GLN A 58 5.737 11.173 3.128 1.00 0.46 H new ATOM 0 HE21 GLN A 58 7.491 9.909 2.490 1.00 0.28 H new ATOM 0 HE22 GLN A 58 8.334 10.199 0.965 1.00 0.28 H new ATOM 895 N LEU A 59 2.626 7.454 3.003 1.00 0.20 N ATOM 896 CA LEU A 59 1.496 6.635 2.686 1.00 0.20 C ATOM 897 C LEU A 59 0.306 7.565 2.782 1.00 0.21 C ATOM 898 O LEU A 59 -0.228 7.822 3.861 1.00 0.23 O ATOM 899 CB LEU A 59 1.419 5.453 3.680 1.00 0.23 C ATOM 900 CG LEU A 59 0.433 4.313 3.411 1.00 0.23 C ATOM 901 CD1 LEU A 59 0.258 3.569 4.712 1.00 0.26 C ATOM 902 CD2 LEU A 59 -0.893 4.798 2.855 1.00 0.23 C ATOM 0 H LEU A 59 2.769 7.592 4.003 1.00 0.20 H new ATOM 0 HA LEU A 59 1.546 6.184 1.695 1.00 0.20 H new ATOM 0 HB2 LEU A 59 2.415 5.016 3.747 1.00 0.23 H new ATOM 0 HB3 LEU A 59 1.184 5.865 4.662 1.00 0.23 H new ATOM 0 HG LEU A 59 0.831 3.656 2.638 1.00 0.23 H new ATOM 0 HD11 LEU A 59 -0.440 2.744 4.568 1.00 0.26 H new ATOM 0 HD12 LEU A 59 1.221 3.177 5.039 1.00 0.26 H new ATOM 0 HD13 LEU A 59 -0.134 4.248 5.469 1.00 0.26 H new ATOM 0 HD21 LEU A 59 -1.550 3.945 2.685 1.00 0.23 H new ATOM 0 HD22 LEU A 59 -1.359 5.479 3.567 1.00 0.23 H new ATOM 0 HD23 LEU A 59 -0.724 5.319 1.913 1.00 0.23 H new ATOM 914 N HIS A 60 -0.039 8.123 1.647 1.00 0.22 N ATOM 915 CA HIS A 60 -1.123 9.024 1.523 1.00 0.25 C ATOM 916 C HIS A 60 -2.337 8.284 1.111 1.00 0.24 C ATOM 917 O HIS A 60 -2.291 7.155 0.650 1.00 0.26 O ATOM 918 CB HIS A 60 -0.859 10.127 0.507 1.00 0.37 C ATOM 919 CG HIS A 60 -0.174 11.337 1.056 1.00 0.79 C ATOM 920 ND1 HIS A 60 -0.594 12.621 0.780 1.00 1.48 N ATOM 921 CD2 HIS A 60 0.913 11.462 1.850 1.00 1.65 C ATOM 922 CE1 HIS A 60 0.206 13.479 1.378 1.00 1.91 C ATOM 923 NE2 HIS A 60 1.128 12.803 2.032 1.00 2.03 N ATOM 0 H HIS A 60 0.450 7.948 0.769 1.00 0.22 H new ATOM 0 HA HIS A 60 -1.259 9.492 2.498 1.00 0.25 H new ATOM 0 HB2 HIS A 60 -0.252 9.719 -0.301 1.00 0.37 H new ATOM 0 HB3 HIS A 60 -1.809 10.433 0.069 1.00 0.37 H new ATOM 0 HD2 HIS A 60 1.501 10.656 2.263 1.00 1.65 H new ATOM 0 HE1 HIS A 60 0.121 14.555 1.339 1.00 1.91 H new ATOM 0 HE2 HIS A 60 1.881 13.212 2.585 1.00 2.03 H new ATOM 932 N ASP A 61 -3.392 8.951 1.321 1.00 0.29 N ATOM 933 CA ASP A 61 -4.698 8.494 0.999 1.00 0.32 C ATOM 934 C ASP A 61 -5.494 9.604 0.375 1.00 0.35 C ATOM 935 O ASP A 61 -5.816 10.622 0.985 1.00 0.48 O ATOM 936 CB ASP A 61 -5.426 7.932 2.194 1.00 0.44 C ATOM 937 CG ASP A 61 -5.539 8.871 3.385 1.00 0.54 C ATOM 938 OD1 ASP A 61 -4.565 9.612 3.642 1.00 0.73 O ATOM 939 OD2 ASP A 61 -6.597 8.892 4.059 1.00 0.92 O ATOM 0 H ASP A 61 -3.382 9.880 1.743 1.00 0.29 H new ATOM 0 HA ASP A 61 -4.587 7.679 0.284 1.00 0.32 H new ATOM 0 HB2 ASP A 61 -6.430 7.642 1.884 1.00 0.44 H new ATOM 0 HB3 ASP A 61 -4.917 7.023 2.515 1.00 0.44 H new ATOM 944 N SER A 62 -5.752 9.386 -0.865 1.00 0.29 N ATOM 945 CA SER A 62 -6.579 10.258 -1.656 1.00 0.32 C ATOM 946 C SER A 62 -7.979 9.714 -1.660 1.00 0.32 C ATOM 947 O SER A 62 -8.186 8.512 -1.530 1.00 0.41 O ATOM 948 CB SER A 62 -6.068 10.401 -3.082 1.00 0.40 C ATOM 949 OG SER A 62 -4.672 10.670 -3.105 1.00 0.47 O ATOM 0 H SER A 62 -5.392 8.582 -1.379 1.00 0.29 H new ATOM 0 HA SER A 62 -6.555 11.253 -1.212 1.00 0.32 H new ATOM 0 HB2 SER A 62 -6.274 9.486 -3.638 1.00 0.40 H new ATOM 0 HB3 SER A 62 -6.604 11.206 -3.584 1.00 0.40 H new ATOM 0 HG SER A 62 -4.255 10.173 -3.840 1.00 0.47 H new ATOM 955 N TYR A 63 -8.930 10.588 -1.787 1.00 0.38 N ATOM 956 CA TYR A 63 -10.302 10.191 -1.653 1.00 0.45 C ATOM 957 C TYR A 63 -11.173 10.947 -2.603 1.00 0.47 C ATOM 958 O TYR A 63 -11.556 12.098 -2.382 1.00 0.54 O ATOM 959 CB TYR A 63 -10.759 10.355 -0.217 1.00 0.64 C ATOM 960 CG TYR A 63 -12.195 9.961 0.056 1.00 0.63 C ATOM 961 CD1 TYR A 63 -12.813 8.941 -0.659 1.00 0.84 C ATOM 962 CD2 TYR A 63 -12.925 10.598 1.052 1.00 0.87 C ATOM 963 CE1 TYR A 63 -14.117 8.575 -0.393 1.00 1.05 C ATOM 964 CE2 TYR A 63 -14.228 10.231 1.328 1.00 1.06 C ATOM 965 CZ TYR A 63 -14.819 9.219 0.606 1.00 1.07 C ATOM 966 OH TYR A 63 -16.110 8.840 0.890 1.00 1.39 O ATOM 0 H TYR A 63 -8.784 11.578 -1.983 1.00 0.38 H new ATOM 0 HA TYR A 63 -10.387 9.136 -1.911 1.00 0.45 H new ATOM 0 HB2 TYR A 63 -10.109 9.760 0.424 1.00 0.64 H new ATOM 0 HB3 TYR A 63 -10.625 11.397 0.073 1.00 0.64 H new ATOM 0 HD1 TYR A 63 -12.264 8.427 -1.434 1.00 0.84 H new ATOM 0 HD2 TYR A 63 -12.466 11.394 1.620 1.00 0.87 H new ATOM 0 HE1 TYR A 63 -14.586 7.788 -0.964 1.00 1.05 H new ATOM 0 HE2 TYR A 63 -14.780 10.736 2.107 1.00 1.06 H new ATOM 0 HH TYR A 63 -16.460 9.392 1.620 1.00 1.39 H new ATOM 976 N ASP A 64 -11.444 10.276 -3.676 1.00 0.47 N ATOM 977 CA ASP A 64 -12.325 10.753 -4.682 1.00 0.57 C ATOM 978 C ASP A 64 -13.594 9.943 -4.683 1.00 0.57 C ATOM 979 O ASP A 64 -13.633 8.797 -5.115 1.00 0.63 O ATOM 980 CB ASP A 64 -11.647 10.707 -6.028 1.00 0.71 C ATOM 981 CG ASP A 64 -10.618 9.602 -6.167 1.00 1.53 C ATOM 982 OD1 ASP A 64 -9.477 9.775 -5.683 1.00 2.42 O ATOM 983 OD2 ASP A 64 -10.937 8.570 -6.784 1.00 2.00 O ATOM 0 H ASP A 64 -11.047 9.359 -3.878 1.00 0.47 H new ATOM 0 HA ASP A 64 -12.586 11.790 -4.470 1.00 0.57 H new ATOM 0 HB2 ASP A 64 -12.406 10.581 -6.801 1.00 0.71 H new ATOM 0 HB3 ASP A 64 -11.162 11.666 -6.211 1.00 0.71 H new ATOM 988 N ARG A 65 -14.629 10.554 -4.170 1.00 0.60 N ATOM 989 CA ARG A 65 -15.909 9.896 -4.008 1.00 0.64 C ATOM 990 C ARG A 65 -16.632 9.773 -5.340 1.00 0.74 C ATOM 991 O ARG A 65 -17.381 8.823 -5.574 1.00 0.88 O ATOM 992 CB ARG A 65 -16.770 10.658 -3.011 1.00 0.74 C ATOM 993 CG ARG A 65 -17.245 9.777 -1.884 1.00 0.86 C ATOM 994 CD ARG A 65 -17.972 8.561 -2.429 1.00 1.00 C ATOM 995 NE ARG A 65 -19.388 8.561 -2.072 1.00 1.19 N ATOM 996 CZ ARG A 65 -20.309 7.815 -2.678 1.00 1.80 C ATOM 997 NH1 ARG A 65 -19.966 7.013 -3.678 1.00 2.46 N ATOM 998 NH2 ARG A 65 -21.574 7.867 -2.286 1.00 2.07 N ATOM 0 H ARG A 65 -14.614 11.523 -3.851 1.00 0.60 H new ATOM 0 HA ARG A 65 -15.728 8.891 -3.626 1.00 0.64 H new ATOM 0 HB2 ARG A 65 -16.199 11.492 -2.603 1.00 0.74 H new ATOM 0 HB3 ARG A 65 -17.631 11.083 -3.526 1.00 0.74 H new ATOM 0 HG2 ARG A 65 -16.395 9.459 -1.280 1.00 0.86 H new ATOM 0 HG3 ARG A 65 -17.909 10.341 -1.229 1.00 0.86 H new ATOM 0 HD2 ARG A 65 -17.872 8.536 -3.514 1.00 1.00 H new ATOM 0 HD3 ARG A 65 -17.502 7.656 -2.045 1.00 1.00 H new ATOM 0 HE ARG A 65 -19.690 9.170 -1.312 1.00 1.19 H new ATOM 0 HH11 ARG A 65 -18.994 6.967 -3.984 1.00 2.46 H new ATOM 0 HH12 ARG A 65 -20.674 6.443 -4.140 1.00 2.46 H new ATOM 0 HH21 ARG A 65 -21.845 8.480 -1.517 1.00 2.07 H new ATOM 0 HH22 ARG A 65 -22.277 7.294 -2.753 1.00 2.07 H new ATOM 1012 N ALA A 66 -16.383 10.733 -6.203 1.00 0.80 N ATOM 1013 CA ALA A 66 -16.955 10.747 -7.542 1.00 0.93 C ATOM 1014 C ALA A 66 -16.364 9.628 -8.384 1.00 0.83 C ATOM 1015 O ALA A 66 -16.974 9.156 -9.343 1.00 0.92 O ATOM 1016 CB ALA A 66 -16.736 12.103 -8.203 1.00 1.15 C ATOM 0 H ALA A 66 -15.778 11.529 -6.001 1.00 0.80 H new ATOM 0 HA ALA A 66 -18.029 10.580 -7.463 1.00 0.93 H new ATOM 0 HB1 ALA A 66 -17.170 12.095 -9.203 1.00 1.15 H new ATOM 0 HB2 ALA A 66 -17.214 12.880 -7.606 1.00 1.15 H new ATOM 0 HB3 ALA A 66 -15.667 12.305 -8.273 1.00 1.15 H new ATOM 1022 N SER A 67 -15.172 9.200 -8.014 1.00 0.72 N ATOM 1023 CA SER A 67 -14.555 8.055 -8.657 1.00 0.72 C ATOM 1024 C SER A 67 -14.728 6.834 -7.767 1.00 0.58 C ATOM 1025 O SER A 67 -14.516 5.698 -8.200 1.00 0.63 O ATOM 1026 CB SER A 67 -13.078 8.314 -8.954 1.00 0.83 C ATOM 1027 OG SER A 67 -12.587 7.393 -9.912 1.00 1.41 O ATOM 0 H SER A 67 -14.613 9.626 -7.274 1.00 0.72 H new ATOM 0 HA SER A 67 -15.045 7.876 -9.614 1.00 0.72 H new ATOM 0 HB2 SER A 67 -12.950 9.332 -9.323 1.00 0.83 H new ATOM 0 HB3 SER A 67 -12.498 8.233 -8.035 1.00 0.83 H new ATOM 0 HG SER A 67 -13.048 6.535 -9.807 1.00 1.41 H new ATOM 1033 N LYS A 68 -15.144 7.093 -6.524 1.00 0.50 N ATOM 1034 CA LYS A 68 -15.436 6.052 -5.551 1.00 0.50 C ATOM 1035 C LYS A 68 -14.163 5.319 -5.157 1.00 0.44 C ATOM 1036 O LYS A 68 -14.191 4.135 -4.831 1.00 0.59 O ATOM 1037 CB LYS A 68 -16.428 5.065 -6.141 1.00 0.70 C ATOM 1038 CG LYS A 68 -17.248 4.312 -5.119 1.00 0.66 C ATOM 1039 CD LYS A 68 -17.653 2.960 -5.657 1.00 1.38 C ATOM 1040 CE LYS A 68 -16.588 1.913 -5.363 1.00 2.27 C ATOM 1041 NZ LYS A 68 -16.849 0.643 -6.092 1.00 3.31 N ATOM 0 H LYS A 68 -15.287 8.038 -6.168 1.00 0.50 H new ATOM 0 HA LYS A 68 -15.864 6.515 -4.662 1.00 0.50 H new ATOM 0 HB2 LYS A 68 -17.104 5.603 -6.806 1.00 0.70 H new ATOM 0 HB3 LYS A 68 -15.884 4.345 -6.753 1.00 0.70 H new ATOM 0 HG2 LYS A 68 -16.672 4.187 -4.202 1.00 0.66 H new ATOM 0 HG3 LYS A 68 -18.137 4.888 -4.861 1.00 0.66 H new ATOM 0 HD2 LYS A 68 -18.600 2.656 -5.210 1.00 1.38 H new ATOM 0 HD3 LYS A 68 -17.815 3.027 -6.733 1.00 1.38 H new ATOM 0 HE2 LYS A 68 -15.609 2.300 -5.646 1.00 2.27 H new ATOM 0 HE3 LYS A 68 -16.556 1.717 -4.291 1.00 2.27 H new ATOM 0 HZ1 LYS A 68 -16.881 -0.146 -5.415 1.00 3.31 H new ATOM 0 HZ2 LYS A 68 -17.760 0.709 -6.590 1.00 3.31 H new ATOM 0 HZ3 LYS A 68 -16.089 0.476 -6.782 1.00 3.31 H new ATOM 1055 N VAL A 69 -13.050 6.022 -5.172 1.00 0.34 N ATOM 1056 CA VAL A 69 -11.780 5.422 -4.857 1.00 0.31 C ATOM 1057 C VAL A 69 -11.092 6.183 -3.744 1.00 0.29 C ATOM 1058 O VAL A 69 -11.050 7.414 -3.725 1.00 0.35 O ATOM 1059 CB VAL A 69 -10.819 5.392 -6.061 1.00 0.34 C ATOM 1060 CG1 VAL A 69 -9.659 4.444 -5.794 1.00 0.38 C ATOM 1061 CG2 VAL A 69 -11.537 5.014 -7.347 1.00 0.43 C ATOM 0 H VAL A 69 -13.004 7.015 -5.401 1.00 0.34 H new ATOM 0 HA VAL A 69 -12.003 4.398 -4.556 1.00 0.31 H new ATOM 0 HB VAL A 69 -10.425 6.400 -6.192 1.00 0.34 H new ATOM 0 HG11 VAL A 69 -8.991 4.435 -6.655 1.00 0.38 H new ATOM 0 HG12 VAL A 69 -9.111 4.778 -4.913 1.00 0.38 H new ATOM 0 HG13 VAL A 69 -10.043 3.438 -5.623 1.00 0.38 H new ATOM 0 HG21 VAL A 69 -10.825 5.004 -8.172 1.00 0.43 H new ATOM 0 HG22 VAL A 69 -11.981 4.024 -7.239 1.00 0.43 H new ATOM 0 HG23 VAL A 69 -12.321 5.742 -7.553 1.00 0.43 H new ATOM 1071 N TYR A 70 -10.601 5.428 -2.804 1.00 0.25 N ATOM 1072 CA TYR A 70 -9.609 5.902 -1.880 1.00 0.25 C ATOM 1073 C TYR A 70 -8.296 5.404 -2.410 1.00 0.22 C ATOM 1074 O TYR A 70 -8.038 4.202 -2.428 1.00 0.26 O ATOM 1075 CB TYR A 70 -9.752 5.365 -0.457 1.00 0.31 C ATOM 1076 CG TYR A 70 -11.107 5.522 0.187 1.00 0.41 C ATOM 1077 CD1 TYR A 70 -12.176 4.750 -0.217 1.00 0.97 C ATOM 1078 CD2 TYR A 70 -11.310 6.437 1.218 1.00 1.09 C ATOM 1079 CE1 TYR A 70 -13.413 4.881 0.374 1.00 0.99 C ATOM 1080 CE2 TYR A 70 -12.548 6.570 1.818 1.00 1.24 C ATOM 1081 CZ TYR A 70 -13.597 5.788 1.389 1.00 0.76 C ATOM 1082 OH TYR A 70 -14.837 5.912 1.970 1.00 0.93 O ATOM 0 H TYR A 70 -10.879 4.458 -2.655 1.00 0.25 H new ATOM 0 HA TYR A 70 -9.706 6.985 -1.810 1.00 0.25 H new ATOM 0 HB2 TYR A 70 -9.499 4.305 -0.465 1.00 0.31 H new ATOM 0 HB3 TYR A 70 -9.015 5.864 0.172 1.00 0.31 H new ATOM 0 HD1 TYR A 70 -12.041 4.030 -1.011 1.00 0.97 H new ATOM 0 HD2 TYR A 70 -10.488 7.052 1.553 1.00 1.09 H new ATOM 0 HE1 TYR A 70 -14.239 4.270 0.039 1.00 0.99 H new ATOM 0 HE2 TYR A 70 -12.692 7.282 2.617 1.00 1.24 H new ATOM 0 HH TYR A 70 -15.196 6.806 1.788 1.00 0.93 H new ATOM 1092 N LEU A 71 -7.493 6.303 -2.862 1.00 0.20 N ATOM 1093 CA LEU A 71 -6.215 5.937 -3.394 1.00 0.19 C ATOM 1094 C LEU A 71 -5.172 6.205 -2.354 1.00 0.20 C ATOM 1095 O LEU A 71 -4.770 7.337 -2.111 1.00 0.22 O ATOM 1096 CB LEU A 71 -5.882 6.675 -4.697 1.00 0.25 C ATOM 1097 CG LEU A 71 -4.399 6.629 -5.114 1.00 0.31 C ATOM 1098 CD1 LEU A 71 -3.862 5.199 -5.107 1.00 0.27 C ATOM 1099 CD2 LEU A 71 -4.215 7.256 -6.487 1.00 0.52 C ATOM 0 H LEU A 71 -7.694 7.303 -2.876 1.00 0.20 H new ATOM 0 HA LEU A 71 -6.240 4.877 -3.645 1.00 0.19 H new ATOM 0 HB2 LEU A 71 -6.483 6.250 -5.501 1.00 0.25 H new ATOM 0 HB3 LEU A 71 -6.182 7.718 -4.593 1.00 0.25 H new ATOM 0 HG LEU A 71 -3.829 7.204 -4.384 1.00 0.31 H new ATOM 0 HD11 LEU A 71 -2.814 5.203 -5.406 1.00 0.27 H new ATOM 0 HD12 LEU A 71 -3.952 4.781 -4.104 1.00 0.27 H new ATOM 0 HD13 LEU A 71 -4.436 4.591 -5.806 1.00 0.27 H new ATOM 0 HD21 LEU A 71 -3.162 7.216 -6.767 1.00 0.52 H new ATOM 0 HD22 LEU A 71 -4.807 6.707 -7.220 1.00 0.52 H new ATOM 0 HD23 LEU A 71 -4.544 8.295 -6.460 1.00 0.52 H new ATOM 1111 N PHE A 72 -4.738 5.142 -1.759 1.00 0.20 N ATOM 1112 CA PHE A 72 -3.630 5.184 -0.876 1.00 0.21 C ATOM 1113 C PHE A 72 -2.393 5.076 -1.721 1.00 0.23 C ATOM 1114 O PHE A 72 -2.117 4.058 -2.359 1.00 0.27 O ATOM 1115 CB PHE A 72 -3.695 4.063 0.138 1.00 0.25 C ATOM 1116 CG PHE A 72 -4.846 4.147 1.100 1.00 0.25 C ATOM 1117 CD1 PHE A 72 -6.127 3.787 0.711 1.00 0.28 C ATOM 1118 CD2 PHE A 72 -4.641 4.579 2.399 1.00 0.31 C ATOM 1119 CE1 PHE A 72 -7.179 3.856 1.600 1.00 0.30 C ATOM 1120 CE2 PHE A 72 -5.691 4.652 3.293 1.00 0.33 C ATOM 1121 CZ PHE A 72 -6.962 4.293 2.893 1.00 0.30 C ATOM 0 H PHE A 72 -5.149 4.216 -1.876 1.00 0.20 H new ATOM 0 HA PHE A 72 -3.629 6.114 -0.307 1.00 0.21 H new ATOM 0 HB2 PHE A 72 -3.754 3.114 -0.395 1.00 0.25 H new ATOM 0 HB3 PHE A 72 -2.765 4.052 0.707 1.00 0.25 H new ATOM 0 HD1 PHE A 72 -6.303 3.449 -0.299 1.00 0.28 H new ATOM 0 HD2 PHE A 72 -3.648 4.862 2.717 1.00 0.31 H new ATOM 0 HE1 PHE A 72 -8.172 3.569 1.286 1.00 0.30 H new ATOM 0 HE2 PHE A 72 -5.518 4.990 4.304 1.00 0.33 H new ATOM 0 HZ PHE A 72 -7.786 4.353 3.589 1.00 0.30 H new ATOM 1131 N GLU A 73 -1.677 6.141 -1.714 1.00 0.22 N ATOM 1132 CA GLU A 73 -0.548 6.325 -2.584 1.00 0.26 C ATOM 1133 C GLU A 73 0.704 6.483 -1.780 1.00 0.20 C ATOM 1134 O GLU A 73 0.833 7.347 -0.908 1.00 0.27 O ATOM 1135 CB GLU A 73 -0.740 7.520 -3.512 1.00 0.42 C ATOM 1136 CG GLU A 73 -1.375 8.717 -2.818 1.00 0.59 C ATOM 1137 CD GLU A 73 -1.506 9.931 -3.708 1.00 0.75 C ATOM 1138 OE1 GLU A 73 -2.290 9.874 -4.678 1.00 1.09 O ATOM 1139 OE2 GLU A 73 -0.809 10.937 -3.464 1.00 1.32 O ATOM 0 H GLU A 73 -1.854 6.932 -1.095 1.00 0.22 H new ATOM 0 HA GLU A 73 -0.461 5.436 -3.208 1.00 0.26 H new ATOM 0 HB2 GLU A 73 0.227 7.815 -3.920 1.00 0.42 H new ATOM 0 HB3 GLU A 73 -1.364 7.222 -4.354 1.00 0.42 H new ATOM 0 HG2 GLU A 73 -2.363 8.434 -2.455 1.00 0.59 H new ATOM 0 HG3 GLU A 73 -0.778 8.979 -1.945 1.00 0.59 H new ATOM 1146 N LEU A 74 1.609 5.623 -2.097 1.00 0.21 N ATOM 1147 CA LEU A 74 2.870 5.545 -1.448 1.00 0.21 C ATOM 1148 C LEU A 74 3.827 6.392 -2.197 1.00 0.20 C ATOM 1149 O LEU A 74 4.004 6.248 -3.406 1.00 0.25 O ATOM 1150 CB LEU A 74 3.432 4.130 -1.464 1.00 0.27 C ATOM 1151 CG LEU A 74 2.641 3.088 -0.684 1.00 0.27 C ATOM 1152 CD1 LEU A 74 2.629 3.472 0.772 1.00 0.85 C ATOM 1153 CD2 LEU A 74 1.230 2.953 -1.215 1.00 0.96 C ATOM 0 H LEU A 74 1.487 4.933 -2.839 1.00 0.21 H new ATOM 0 HA LEU A 74 2.735 5.866 -0.415 1.00 0.21 H new ATOM 0 HB2 LEU A 74 3.505 3.801 -2.501 1.00 0.27 H new ATOM 0 HB3 LEU A 74 4.447 4.159 -1.067 1.00 0.27 H new ATOM 0 HG LEU A 74 3.122 2.117 -0.803 1.00 0.27 H new ATOM 0 HD11 LEU A 74 2.065 2.732 1.339 1.00 0.85 H new ATOM 0 HD12 LEU A 74 3.652 3.513 1.146 1.00 0.85 H new ATOM 0 HD13 LEU A 74 2.162 4.450 0.887 1.00 0.85 H new ATOM 0 HD21 LEU A 74 0.694 2.201 -0.636 1.00 0.96 H new ATOM 0 HD22 LEU A 74 0.716 3.911 -1.131 1.00 0.96 H new ATOM 0 HD23 LEU A 74 1.263 2.650 -2.261 1.00 0.96 H new ATOM 1165 N HIS A 75 4.439 7.245 -1.486 1.00 0.18 N ATOM 1166 CA HIS A 75 5.580 7.920 -2.003 1.00 0.19 C ATOM 1167 C HIS A 75 6.698 7.480 -1.126 1.00 0.19 C ATOM 1168 O HIS A 75 6.884 7.993 -0.031 1.00 0.19 O ATOM 1169 CB HIS A 75 5.408 9.439 -1.971 1.00 0.23 C ATOM 1170 CG HIS A 75 4.271 9.935 -2.807 1.00 0.39 C ATOM 1171 ND1 HIS A 75 3.057 10.316 -2.272 1.00 1.01 N ATOM 1172 CD2 HIS A 75 4.160 10.102 -4.145 1.00 1.15 C ATOM 1173 CE1 HIS A 75 2.251 10.691 -3.247 1.00 0.88 C ATOM 1174 NE2 HIS A 75 2.894 10.575 -4.392 1.00 0.94 N ATOM 0 H HIS A 75 4.177 7.504 -0.535 1.00 0.18 H new ATOM 0 HA HIS A 75 5.755 7.680 -3.052 1.00 0.19 H new ATOM 0 HB2 HIS A 75 5.254 9.756 -0.940 1.00 0.23 H new ATOM 0 HB3 HIS A 75 6.331 9.907 -2.314 1.00 0.23 H new ATOM 0 HD2 HIS A 75 4.924 9.901 -4.881 1.00 1.15 H new ATOM 0 HE1 HIS A 75 1.234 11.035 -3.127 1.00 0.88 H new ATOM 0 HE2 HIS A 75 2.514 10.800 -5.311 1.00 0.94 H new ATOM 1183 N ILE A 76 7.404 6.485 -1.595 1.00 0.21 N ATOM 1184 CA ILE A 76 8.460 5.908 -0.825 1.00 0.23 C ATOM 1185 C ILE A 76 9.749 5.993 -1.584 1.00 0.25 C ATOM 1186 O ILE A 76 10.052 5.212 -2.462 1.00 0.28 O ATOM 1187 CB ILE A 76 8.151 4.455 -0.484 1.00 0.27 C ATOM 1188 CG1 ILE A 76 6.781 4.359 0.178 1.00 0.29 C ATOM 1189 CG2 ILE A 76 9.228 3.857 0.416 1.00 0.29 C ATOM 1190 CD1 ILE A 76 6.285 2.943 0.326 1.00 0.52 C ATOM 0 H ILE A 76 7.262 6.060 -2.511 1.00 0.21 H new ATOM 0 HA ILE A 76 8.552 6.466 0.106 1.00 0.23 H new ATOM 0 HB ILE A 76 8.139 3.879 -1.409 1.00 0.27 H new ATOM 0 HG12 ILE A 76 6.828 4.824 1.163 1.00 0.29 H new ATOM 0 HG13 ILE A 76 6.061 4.929 -0.410 1.00 0.29 H new ATOM 0 HG21 ILE A 76 8.979 2.820 0.642 1.00 0.29 H new ATOM 0 HG22 ILE A 76 10.191 3.897 -0.093 1.00 0.29 H new ATOM 0 HG23 ILE A 76 9.284 4.427 1.344 1.00 0.29 H new ATOM 0 HD11 ILE A 76 5.306 2.949 0.804 1.00 0.52 H new ATOM 0 HD12 ILE A 76 6.206 2.481 -0.658 1.00 0.52 H new ATOM 0 HD13 ILE A 76 6.985 2.375 0.939 1.00 0.52 H new ATOM 1202 N THR A 77 10.502 6.941 -1.214 1.00 0.24 N ATOM 1203 CA THR A 77 11.739 7.189 -1.808 1.00 0.26 C ATOM 1204 C THR A 77 12.807 6.710 -0.891 1.00 0.36 C ATOM 1205 O THR A 77 12.619 6.579 0.322 1.00 0.58 O ATOM 1206 CB THR A 77 11.940 8.670 -2.127 1.00 0.32 C ATOM 1207 OG1 THR A 77 11.757 9.457 -0.944 1.00 0.41 O ATOM 1208 CG2 THR A 77 10.968 9.109 -3.210 1.00 0.37 C ATOM 0 H THR A 77 10.265 7.588 -0.462 1.00 0.24 H new ATOM 0 HA THR A 77 11.781 6.655 -2.757 1.00 0.26 H new ATOM 0 HB THR A 77 12.957 8.818 -2.491 1.00 0.32 H new ATOM 0 HG1 THR A 77 12.560 9.399 -0.385 1.00 0.41 H new ATOM 0 HG21 THR A 77 11.120 10.166 -3.429 1.00 0.37 H new ATOM 0 HG22 THR A 77 11.140 8.523 -4.113 1.00 0.37 H new ATOM 0 HG23 THR A 77 9.945 8.954 -2.866 1.00 0.37 H new ATOM 1216 N ASP A 78 13.873 6.414 -1.533 1.00 0.30 N ATOM 1217 CA ASP A 78 15.091 5.915 -0.955 1.00 0.45 C ATOM 1218 C ASP A 78 14.843 4.844 0.068 1.00 0.45 C ATOM 1219 O ASP A 78 14.731 5.056 1.275 1.00 0.70 O ATOM 1220 CB ASP A 78 15.987 7.023 -0.464 1.00 0.61 C ATOM 1221 CG ASP A 78 15.426 7.874 0.673 1.00 1.44 C ATOM 1222 OD1 ASP A 78 14.629 8.798 0.400 1.00 2.12 O ATOM 1223 OD2 ASP A 78 15.814 7.653 1.842 1.00 1.97 O ATOM 0 H ASP A 78 13.936 6.516 -2.546 1.00 0.30 H new ATOM 0 HA ASP A 78 15.645 5.426 -1.756 1.00 0.45 H new ATOM 0 HB2 ASP A 78 16.929 6.584 -0.134 1.00 0.61 H new ATOM 0 HB3 ASP A 78 16.217 7.678 -1.304 1.00 0.61 H new ATOM 1228 N ALA A 79 14.743 3.682 -0.494 1.00 0.37 N ATOM 1229 CA ALA A 79 14.448 2.471 0.235 1.00 0.34 C ATOM 1230 C ALA A 79 15.635 2.035 1.080 1.00 0.38 C ATOM 1231 O ALA A 79 16.778 2.084 0.629 1.00 0.40 O ATOM 1232 CB ALA A 79 14.069 1.374 -0.745 1.00 0.34 C ATOM 0 H ALA A 79 14.866 3.536 -1.496 1.00 0.37 H new ATOM 0 HA ALA A 79 13.614 2.664 0.909 1.00 0.34 H new ATOM 0 HB1 ALA A 79 13.846 0.458 -0.198 1.00 0.34 H new ATOM 0 HB2 ALA A 79 13.191 1.681 -1.313 1.00 0.34 H new ATOM 0 HB3 ALA A 79 14.899 1.195 -1.429 1.00 0.34 H new ATOM 1238 N GLN A 80 15.350 1.629 2.307 1.00 0.47 N ATOM 1239 CA GLN A 80 16.354 1.053 3.184 1.00 0.55 C ATOM 1240 C GLN A 80 16.866 -0.242 2.577 1.00 0.43 C ATOM 1241 O GLN A 80 16.070 -1.103 2.207 1.00 0.43 O ATOM 1242 CB GLN A 80 15.740 0.794 4.565 1.00 0.74 C ATOM 1243 CG GLN A 80 16.609 -0.046 5.476 1.00 0.78 C ATOM 1244 CD GLN A 80 17.289 0.769 6.559 1.00 1.06 C ATOM 1245 OE1 GLN A 80 16.743 0.950 7.646 1.00 1.37 O ATOM 1246 NE2 GLN A 80 18.485 1.257 6.277 1.00 1.43 N ATOM 0 H GLN A 80 14.420 1.689 2.721 1.00 0.47 H new ATOM 0 HA GLN A 80 17.189 1.744 3.298 1.00 0.55 H new ATOM 0 HB2 GLN A 80 15.542 1.751 5.049 1.00 0.74 H new ATOM 0 HB3 GLN A 80 14.779 0.297 4.437 1.00 0.74 H new ATOM 0 HG2 GLN A 80 15.998 -0.820 5.940 1.00 0.78 H new ATOM 0 HG3 GLN A 80 17.367 -0.553 4.880 1.00 0.78 H new ATOM 0 HE21 GLN A 80 18.904 1.084 5.363 1.00 1.43 H new ATOM 0 HE22 GLN A 80 18.989 1.806 6.973 1.00 1.43 H new ATOM 1255 N PRO A 81 18.197 -0.399 2.489 1.00 0.42 N ATOM 1256 CA PRO A 81 18.840 -1.512 1.769 1.00 0.44 C ATOM 1257 C PRO A 81 18.453 -2.897 2.280 1.00 0.54 C ATOM 1258 O PRO A 81 18.723 -3.899 1.624 1.00 1.33 O ATOM 1259 CB PRO A 81 20.339 -1.279 1.999 1.00 0.50 C ATOM 1260 CG PRO A 81 20.421 -0.347 3.156 1.00 0.57 C ATOM 1261 CD PRO A 81 19.192 0.507 3.078 1.00 0.49 C ATOM 0 HA PRO A 81 18.532 -1.512 0.723 1.00 0.44 H new ATOM 0 HB2 PRO A 81 20.854 -2.216 2.212 1.00 0.50 H new ATOM 0 HB3 PRO A 81 20.810 -0.850 1.115 1.00 0.50 H new ATOM 0 HG2 PRO A 81 20.458 -0.895 4.098 1.00 0.57 H new ATOM 0 HG3 PRO A 81 21.324 0.261 3.105 1.00 0.57 H new ATOM 0 HD2 PRO A 81 18.883 0.861 4.062 1.00 0.49 H new ATOM 0 HD3 PRO A 81 19.352 1.389 2.458 1.00 0.49 H new ATOM 1269 N ALA A 82 17.824 -2.957 3.439 1.00 0.81 N ATOM 1270 CA ALA A 82 17.408 -4.228 3.994 1.00 0.88 C ATOM 1271 C ALA A 82 15.896 -4.283 4.203 1.00 0.77 C ATOM 1272 O ALA A 82 15.418 -4.982 5.096 1.00 0.91 O ATOM 1273 CB ALA A 82 18.152 -4.499 5.293 1.00 1.12 C ATOM 0 H ALA A 82 17.592 -2.145 4.010 1.00 0.81 H new ATOM 0 HA ALA A 82 17.660 -5.010 3.278 1.00 0.88 H new ATOM 0 HB1 ALA A 82 17.832 -5.457 5.702 1.00 1.12 H new ATOM 0 HB2 ALA A 82 19.224 -4.527 5.099 1.00 1.12 H new ATOM 0 HB3 ALA A 82 17.933 -3.707 6.009 1.00 1.12 H new ATOM 1279 N PHE A 83 15.144 -3.544 3.382 1.00 0.64 N ATOM 1280 CA PHE A 83 13.693 -3.645 3.376 1.00 0.68 C ATOM 1281 C PHE A 83 13.284 -4.926 2.676 1.00 0.76 C ATOM 1282 O PHE A 83 12.667 -5.809 3.272 1.00 1.24 O ATOM 1283 CB PHE A 83 13.088 -2.447 2.618 1.00 0.74 C ATOM 1284 CG PHE A 83 12.725 -1.230 3.445 1.00 0.70 C ATOM 1285 CD1 PHE A 83 12.522 -1.320 4.814 1.00 0.80 C ATOM 1286 CD2 PHE A 83 12.561 0.014 2.833 1.00 0.75 C ATOM 1287 CE1 PHE A 83 12.170 -0.206 5.556 1.00 0.90 C ATOM 1288 CE2 PHE A 83 12.210 1.129 3.576 1.00 0.83 C ATOM 1289 CZ PHE A 83 12.016 1.018 4.936 1.00 0.88 C ATOM 0 H PHE A 83 15.522 -2.871 2.715 1.00 0.64 H new ATOM 0 HA PHE A 83 13.330 -3.647 4.404 1.00 0.68 H new ATOM 0 HB2 PHE A 83 13.797 -2.137 1.850 1.00 0.74 H new ATOM 0 HB3 PHE A 83 12.190 -2.789 2.103 1.00 0.74 H new ATOM 0 HD1 PHE A 83 12.640 -2.273 5.308 1.00 0.80 H new ATOM 0 HD2 PHE A 83 12.710 0.108 1.767 1.00 0.75 H new ATOM 0 HE1 PHE A 83 12.016 -0.294 6.621 1.00 0.90 H new ATOM 0 HE2 PHE A 83 12.088 2.086 3.090 1.00 0.83 H new ATOM 0 HZ PHE A 83 11.744 1.887 5.516 1.00 0.88 H new ATOM 1299 N THR A 84 13.729 -5.050 1.431 1.00 0.55 N ATOM 1300 CA THR A 84 13.093 -5.923 0.474 1.00 0.58 C ATOM 1301 C THR A 84 11.596 -5.718 0.614 1.00 0.80 C ATOM 1302 O THR A 84 10.837 -6.637 0.903 1.00 1.22 O ATOM 1303 CB THR A 84 13.471 -7.387 0.672 1.00 0.97 C ATOM 1304 OG1 THR A 84 14.886 -7.499 0.872 1.00 1.10 O ATOM 1305 CG2 THR A 84 13.066 -8.210 -0.542 1.00 1.17 C ATOM 0 H THR A 84 14.538 -4.547 1.066 1.00 0.55 H new ATOM 0 HA THR A 84 13.431 -5.673 -0.532 1.00 0.58 H new ATOM 0 HB THR A 84 12.945 -7.766 1.548 1.00 0.97 H new ATOM 0 HG1 THR A 84 15.125 -8.441 1.001 1.00 1.10 H new ATOM 0 HG21 THR A 84 13.343 -9.252 -0.384 1.00 1.17 H new ATOM 0 HG22 THR A 84 11.988 -8.139 -0.686 1.00 1.17 H new ATOM 0 HG23 THR A 84 13.576 -7.829 -1.427 1.00 1.17 H new ATOM 1313 N GLY A 85 11.232 -4.455 0.404 1.00 0.87 N ATOM 1314 CA GLY A 85 9.945 -3.910 0.768 1.00 1.43 C ATOM 1315 C GLY A 85 8.776 -4.697 0.284 1.00 0.96 C ATOM 1316 O GLY A 85 8.184 -4.411 -0.748 1.00 1.29 O ATOM 0 H GLY A 85 11.848 -3.771 -0.037 1.00 0.87 H new ATOM 0 HA2 GLY A 85 9.891 -3.836 1.854 1.00 1.43 H new ATOM 0 HA3 GLY A 85 9.871 -2.896 0.375 1.00 1.43 H new ATOM 1320 N GLY A 86 8.445 -5.657 1.067 1.00 0.52 N ATOM 1321 CA GLY A 86 7.303 -6.472 0.816 1.00 0.52 C ATOM 1322 C GLY A 86 6.128 -5.889 1.523 1.00 0.40 C ATOM 1323 O GLY A 86 5.781 -6.271 2.637 1.00 0.43 O ATOM 0 H GLY A 86 8.961 -5.906 1.911 1.00 0.52 H new ATOM 0 HA2 GLY A 86 7.108 -6.528 -0.255 1.00 0.52 H new ATOM 0 HA3 GLY A 86 7.483 -7.490 1.161 1.00 0.52 H new ATOM 1327 N TYR A 87 5.575 -4.900 0.892 1.00 0.34 N ATOM 1328 CA TYR A 87 4.459 -4.179 1.434 1.00 0.28 C ATOM 1329 C TYR A 87 3.200 -4.994 1.219 1.00 0.30 C ATOM 1330 O TYR A 87 2.749 -5.164 0.089 1.00 0.39 O ATOM 1331 CB TYR A 87 4.324 -2.816 0.763 1.00 0.35 C ATOM 1332 CG TYR A 87 5.474 -1.871 1.009 1.00 0.39 C ATOM 1333 CD1 TYR A 87 6.740 -2.116 0.488 1.00 0.42 C ATOM 1334 CD2 TYR A 87 5.281 -0.713 1.742 1.00 0.47 C ATOM 1335 CE1 TYR A 87 7.781 -1.234 0.698 1.00 0.49 C ATOM 1336 CE2 TYR A 87 6.315 0.170 1.960 1.00 0.54 C ATOM 1337 CZ TYR A 87 7.564 -0.093 1.435 1.00 0.54 C ATOM 1338 OH TYR A 87 8.598 0.789 1.655 1.00 0.63 O ATOM 0 H TYR A 87 5.886 -4.566 -0.020 1.00 0.34 H new ATOM 0 HA TYR A 87 4.616 -4.016 2.500 1.00 0.28 H new ATOM 0 HB2 TYR A 87 4.219 -2.965 -0.312 1.00 0.35 H new ATOM 0 HB3 TYR A 87 3.405 -2.345 1.111 1.00 0.35 H new ATOM 0 HD1 TYR A 87 6.912 -3.012 -0.091 1.00 0.42 H new ATOM 0 HD2 TYR A 87 4.304 -0.498 2.149 1.00 0.47 H new ATOM 0 HE1 TYR A 87 8.758 -1.438 0.287 1.00 0.49 H new ATOM 0 HE2 TYR A 87 6.149 1.066 2.540 1.00 0.54 H new ATOM 0 HH TYR A 87 9.334 0.591 1.039 1.00 0.63 H new ATOM 1348 N ARG A 88 2.649 -5.523 2.290 1.00 0.33 N ATOM 1349 CA ARG A 88 1.446 -6.319 2.184 1.00 0.36 C ATOM 1350 C ARG A 88 0.255 -5.429 2.428 1.00 0.36 C ATOM 1351 O ARG A 88 -0.011 -5.025 3.561 1.00 0.60 O ATOM 1352 CB ARG A 88 1.440 -7.463 3.197 1.00 0.42 C ATOM 1353 CG ARG A 88 2.619 -8.414 3.079 1.00 1.09 C ATOM 1354 CD ARG A 88 2.564 -9.478 4.161 1.00 1.23 C ATOM 1355 NE ARG A 88 3.676 -10.422 4.085 1.00 1.73 N ATOM 1356 CZ ARG A 88 3.695 -11.590 4.724 1.00 2.17 C ATOM 1357 NH1 ARG A 88 2.674 -11.937 5.499 1.00 2.11 N ATOM 1358 NH2 ARG A 88 4.727 -12.406 4.585 1.00 3.15 N ATOM 0 H ARG A 88 3.012 -5.418 3.238 1.00 0.33 H new ATOM 0 HA ARG A 88 1.405 -6.755 1.186 1.00 0.36 H new ATOM 0 HB2 ARG A 88 1.428 -7.042 4.202 1.00 0.42 H new ATOM 0 HB3 ARG A 88 0.517 -8.031 3.079 1.00 0.42 H new ATOM 0 HG2 ARG A 88 2.614 -8.887 2.097 1.00 1.09 H new ATOM 0 HG3 ARG A 88 3.552 -7.856 3.159 1.00 1.09 H new ATOM 0 HD2 ARG A 88 2.569 -8.996 5.139 1.00 1.23 H new ATOM 0 HD3 ARG A 88 1.624 -10.024 4.080 1.00 1.23 H new ATOM 0 HE ARG A 88 4.482 -10.173 3.511 1.00 1.73 H new ATOM 0 HH11 ARG A 88 1.877 -11.309 5.604 1.00 2.11 H new ATOM 0 HH12 ARG A 88 2.687 -12.831 5.989 1.00 2.11 H new ATOM 0 HH21 ARG A 88 5.510 -12.141 3.988 1.00 3.15 H new ATOM 0 HH22 ARG A 88 4.740 -13.300 5.075 1.00 3.15 H new ATOM 1372 N CYS A 89 -0.446 -5.092 1.375 1.00 0.26 N ATOM 1373 CA CYS A 89 -1.589 -4.221 1.528 1.00 0.27 C ATOM 1374 C CYS A 89 -2.841 -5.060 1.640 1.00 0.25 C ATOM 1375 O CYS A 89 -3.115 -5.908 0.791 1.00 0.31 O ATOM 1376 CB CYS A 89 -1.717 -3.268 0.362 1.00 0.39 C ATOM 1377 SG CYS A 89 -2.781 -1.846 0.696 1.00 1.08 S ATOM 0 H CYS A 89 -0.254 -5.398 0.421 1.00 0.26 H new ATOM 0 HA CYS A 89 -1.451 -3.628 2.432 1.00 0.27 H new ATOM 0 HB2 CYS A 89 -0.725 -2.911 0.086 1.00 0.39 H new ATOM 0 HB3 CYS A 89 -2.111 -3.811 -0.497 1.00 0.39 H new ATOM 0 HG CYS A 89 -2.059 -0.766 0.743 1.00 1.08 H new ATOM 1383 N GLU A 90 -3.590 -4.824 2.689 1.00 0.26 N ATOM 1384 CA GLU A 90 -4.756 -5.629 2.985 1.00 0.28 C ATOM 1385 C GLU A 90 -5.940 -4.737 3.342 1.00 0.26 C ATOM 1386 O GLU A 90 -5.886 -3.975 4.307 1.00 0.29 O ATOM 1387 CB GLU A 90 -4.441 -6.574 4.151 1.00 0.35 C ATOM 1388 CG GLU A 90 -3.252 -7.493 3.901 1.00 1.19 C ATOM 1389 CD GLU A 90 -2.880 -8.340 5.106 1.00 1.29 C ATOM 1390 OE1 GLU A 90 -3.426 -8.085 6.203 1.00 1.81 O ATOM 1391 OE2 GLU A 90 -2.053 -9.270 4.970 1.00 1.43 O ATOM 0 H GLU A 90 -3.413 -4.075 3.359 1.00 0.26 H new ATOM 0 HA GLU A 90 -5.018 -6.215 2.104 1.00 0.28 H new ATOM 0 HB2 GLU A 90 -4.246 -5.980 5.044 1.00 0.35 H new ATOM 0 HB3 GLU A 90 -5.321 -7.183 4.359 1.00 0.35 H new ATOM 0 HG2 GLU A 90 -3.480 -8.149 3.061 1.00 1.19 H new ATOM 0 HG3 GLU A 90 -2.391 -6.891 3.610 1.00 1.19 H new ATOM 1398 N VAL A 91 -7.002 -4.814 2.559 1.00 0.24 N ATOM 1399 CA VAL A 91 -8.206 -4.071 2.870 1.00 0.22 C ATOM 1400 C VAL A 91 -9.290 -5.014 3.360 1.00 0.22 C ATOM 1401 O VAL A 91 -9.408 -6.154 2.902 1.00 0.24 O ATOM 1402 CB VAL A 91 -8.720 -3.241 1.673 1.00 0.23 C ATOM 1403 CG1 VAL A 91 -8.857 -4.108 0.430 1.00 0.54 C ATOM 1404 CG2 VAL A 91 -10.040 -2.552 2.010 1.00 0.51 C ATOM 0 H VAL A 91 -7.054 -5.379 1.711 1.00 0.24 H new ATOM 0 HA VAL A 91 -7.951 -3.364 3.660 1.00 0.22 H new ATOM 0 HB VAL A 91 -7.984 -2.465 1.461 1.00 0.23 H new ATOM 0 HG11 VAL A 91 -9.220 -3.501 -0.399 1.00 0.54 H new ATOM 0 HG12 VAL A 91 -7.886 -4.530 0.172 1.00 0.54 H new ATOM 0 HG13 VAL A 91 -9.563 -4.915 0.625 1.00 0.54 H new ATOM 0 HG21 VAL A 91 -10.379 -1.975 1.150 1.00 0.51 H new ATOM 0 HG22 VAL A 91 -10.789 -3.303 2.261 1.00 0.51 H new ATOM 0 HG23 VAL A 91 -9.896 -1.885 2.860 1.00 0.51 H new ATOM 1414 N SER A 92 -10.061 -4.534 4.307 1.00 0.22 N ATOM 1415 CA SER A 92 -11.095 -5.329 4.932 1.00 0.25 C ATOM 1416 C SER A 92 -12.333 -4.479 5.169 1.00 0.26 C ATOM 1417 O SER A 92 -12.311 -3.521 5.939 1.00 0.30 O ATOM 1418 CB SER A 92 -10.585 -5.928 6.248 1.00 0.32 C ATOM 1419 OG SER A 92 -9.416 -6.704 6.033 1.00 1.18 O ATOM 0 H SER A 92 -9.990 -3.582 4.667 1.00 0.22 H new ATOM 0 HA SER A 92 -11.362 -6.150 4.266 1.00 0.25 H new ATOM 0 HB2 SER A 92 -10.370 -5.128 6.957 1.00 0.32 H new ATOM 0 HB3 SER A 92 -11.362 -6.549 6.694 1.00 0.32 H new ATOM 0 HG SER A 92 -9.611 -7.418 5.390 1.00 1.18 H new ATOM 1425 N THR A 93 -13.392 -4.798 4.455 1.00 0.28 N ATOM 1426 CA THR A 93 -14.648 -4.102 4.613 1.00 0.35 C ATOM 1427 C THR A 93 -15.774 -5.097 4.786 1.00 0.39 C ATOM 1428 O THR A 93 -15.527 -6.291 4.660 1.00 0.59 O ATOM 1429 CB THR A 93 -14.916 -3.218 3.408 1.00 0.42 C ATOM 1430 OG1 THR A 93 -13.718 -3.060 2.654 1.00 0.74 O ATOM 1431 CG2 THR A 93 -15.386 -1.870 3.874 1.00 0.57 C ATOM 0 H THR A 93 -13.406 -5.540 3.755 1.00 0.28 H new ATOM 0 HA THR A 93 -14.590 -3.474 5.502 1.00 0.35 H new ATOM 0 HB THR A 93 -15.681 -3.681 2.784 1.00 0.42 H new ATOM 0 HG1 THR A 93 -13.017 -2.687 3.228 1.00 0.74 H new ATOM 0 HG21 THR A 93 -15.579 -1.233 3.010 1.00 0.57 H new ATOM 0 HG22 THR A 93 -16.303 -1.984 4.453 1.00 0.57 H new ATOM 0 HG23 THR A 93 -14.618 -1.412 4.498 1.00 0.57 H new ATOM 1439 N LYS A 94 -16.992 -4.578 5.050 1.00 0.43 N ATOM 1440 CA LYS A 94 -18.225 -5.374 5.276 1.00 0.43 C ATOM 1441 C LYS A 94 -18.084 -6.859 4.990 1.00 0.42 C ATOM 1442 O LYS A 94 -18.265 -7.699 5.865 1.00 0.53 O ATOM 1443 CB LYS A 94 -19.387 -4.825 4.429 1.00 0.45 C ATOM 1444 CG LYS A 94 -18.991 -4.030 3.176 1.00 0.47 C ATOM 1445 CD LYS A 94 -18.366 -4.858 2.057 1.00 0.50 C ATOM 1446 CE LYS A 94 -19.315 -5.910 1.491 1.00 0.41 C ATOM 1447 NZ LYS A 94 -20.641 -5.358 1.132 1.00 0.65 N ATOM 0 H LYS A 94 -17.153 -3.573 5.114 1.00 0.43 H new ATOM 0 HA LYS A 94 -18.426 -5.272 6.342 1.00 0.43 H new ATOM 0 HB2 LYS A 94 -20.013 -5.663 4.121 1.00 0.45 H new ATOM 0 HB3 LYS A 94 -20.001 -4.185 5.062 1.00 0.45 H new ATOM 0 HG2 LYS A 94 -19.878 -3.530 2.786 1.00 0.47 H new ATOM 0 HG3 LYS A 94 -18.287 -3.250 3.467 1.00 0.47 H new ATOM 0 HD2 LYS A 94 -18.050 -4.193 1.254 1.00 0.50 H new ATOM 0 HD3 LYS A 94 -17.470 -5.351 2.434 1.00 0.50 H new ATOM 0 HE2 LYS A 94 -18.864 -6.361 0.607 1.00 0.41 H new ATOM 0 HE3 LYS A 94 -19.445 -6.706 2.224 1.00 0.41 H new ATOM 0 HZ1 LYS A 94 -21.385 -5.897 1.620 1.00 0.65 H new ATOM 0 HZ2 LYS A 94 -20.691 -4.360 1.420 1.00 0.65 H new ATOM 0 HZ3 LYS A 94 -20.780 -5.429 0.104 1.00 0.65 H new ATOM 1461 N ASP A 95 -17.759 -7.141 3.753 1.00 0.36 N ATOM 1462 CA ASP A 95 -17.699 -8.482 3.243 1.00 0.40 C ATOM 1463 C ASP A 95 -16.672 -8.558 2.119 1.00 0.37 C ATOM 1464 O ASP A 95 -16.341 -9.641 1.656 1.00 0.47 O ATOM 1465 CB ASP A 95 -19.083 -8.879 2.729 1.00 0.46 C ATOM 1466 CG ASP A 95 -19.401 -10.357 2.874 1.00 0.66 C ATOM 1467 OD1 ASP A 95 -19.360 -10.873 4.006 1.00 0.89 O ATOM 1468 OD2 ASP A 95 -19.733 -10.993 1.854 1.00 1.05 O ATOM 0 H ASP A 95 -17.525 -6.429 3.061 1.00 0.36 H new ATOM 0 HA ASP A 95 -17.398 -9.169 4.034 1.00 0.40 H new ATOM 0 HB2 ASP A 95 -19.837 -8.302 3.266 1.00 0.46 H new ATOM 0 HB3 ASP A 95 -19.160 -8.604 1.677 1.00 0.46 H new ATOM 1473 N LYS A 96 -16.147 -7.402 1.691 1.00 0.29 N ATOM 1474 CA LYS A 96 -15.212 -7.383 0.586 1.00 0.29 C ATOM 1475 C LYS A 96 -13.829 -7.503 1.157 1.00 0.27 C ATOM 1476 O LYS A 96 -13.445 -6.743 2.047 1.00 0.29 O ATOM 1477 CB LYS A 96 -15.293 -6.121 -0.307 1.00 0.30 C ATOM 1478 CG LYS A 96 -15.675 -6.421 -1.739 1.00 0.56 C ATOM 1479 CD LYS A 96 -14.483 -6.904 -2.549 1.00 0.82 C ATOM 1480 CE LYS A 96 -14.754 -8.254 -3.183 1.00 1.00 C ATOM 1481 NZ LYS A 96 -15.887 -8.219 -4.144 1.00 1.29 N ATOM 0 H LYS A 96 -16.356 -6.488 2.093 1.00 0.29 H new ATOM 0 HA LYS A 96 -15.469 -8.216 -0.068 1.00 0.29 H new ATOM 0 HB2 LYS A 96 -16.021 -5.430 0.118 1.00 0.30 H new ATOM 0 HB3 LYS A 96 -14.328 -5.614 -0.295 1.00 0.30 H new ATOM 0 HG2 LYS A 96 -16.458 -7.179 -1.756 1.00 0.56 H new ATOM 0 HG3 LYS A 96 -16.090 -5.525 -2.201 1.00 0.56 H new ATOM 0 HD2 LYS A 96 -14.250 -6.176 -3.326 1.00 0.82 H new ATOM 0 HD3 LYS A 96 -13.607 -6.973 -1.904 1.00 0.82 H new ATOM 0 HE2 LYS A 96 -13.856 -8.596 -3.698 1.00 1.00 H new ATOM 0 HE3 LYS A 96 -14.969 -8.982 -2.401 1.00 1.00 H new ATOM 0 HZ1 LYS A 96 -16.007 -9.159 -4.573 1.00 1.29 H new ATOM 0 HZ2 LYS A 96 -16.759 -7.953 -3.643 1.00 1.29 H new ATOM 0 HZ3 LYS A 96 -15.689 -7.521 -4.889 1.00 1.29 H new ATOM 1495 N PHE A 97 -13.116 -8.481 0.684 1.00 0.28 N ATOM 1496 CA PHE A 97 -11.769 -8.723 1.146 1.00 0.29 C ATOM 1497 C PHE A 97 -10.810 -8.908 -0.011 1.00 0.32 C ATOM 1498 O PHE A 97 -11.085 -9.652 -0.953 1.00 0.47 O ATOM 1499 CB PHE A 97 -11.740 -9.939 2.048 1.00 0.40 C ATOM 1500 CG PHE A 97 -10.406 -10.175 2.692 1.00 0.46 C ATOM 1501 CD1 PHE A 97 -9.884 -9.253 3.583 1.00 0.62 C ATOM 1502 CD2 PHE A 97 -9.679 -11.319 2.411 1.00 0.65 C ATOM 1503 CE1 PHE A 97 -8.656 -9.468 4.181 1.00 0.75 C ATOM 1504 CE2 PHE A 97 -8.452 -11.538 3.004 1.00 0.77 C ATOM 1505 CZ PHE A 97 -7.941 -10.612 3.892 1.00 0.74 C ATOM 0 H PHE A 97 -13.443 -9.134 -0.029 1.00 0.28 H new ATOM 0 HA PHE A 97 -11.446 -7.848 1.710 1.00 0.29 H new ATOM 0 HB2 PHE A 97 -12.495 -9.822 2.826 1.00 0.40 H new ATOM 0 HB3 PHE A 97 -12.015 -10.819 1.467 1.00 0.40 H new ATOM 0 HD1 PHE A 97 -10.441 -8.357 3.813 1.00 0.62 H new ATOM 0 HD2 PHE A 97 -10.076 -12.048 1.720 1.00 0.65 H new ATOM 0 HE1 PHE A 97 -8.257 -8.741 4.873 1.00 0.75 H new ATOM 0 HE2 PHE A 97 -7.892 -12.432 2.774 1.00 0.77 H new ATOM 0 HZ PHE A 97 -6.983 -10.783 4.360 1.00 0.74 H new ATOM 1515 N ASP A 98 -9.682 -8.231 0.094 1.00 0.31 N ATOM 1516 CA ASP A 98 -8.645 -8.255 -0.933 1.00 0.43 C ATOM 1517 C ASP A 98 -7.285 -7.949 -0.309 1.00 0.36 C ATOM 1518 O ASP A 98 -7.202 -7.234 0.696 1.00 0.36 O ATOM 1519 CB ASP A 98 -8.928 -7.224 -2.034 1.00 0.56 C ATOM 1520 CG ASP A 98 -10.042 -7.617 -2.993 1.00 1.03 C ATOM 1521 OD1 ASP A 98 -9.751 -8.289 -4.007 1.00 1.26 O ATOM 1522 OD2 ASP A 98 -11.207 -7.226 -2.761 1.00 1.60 O ATOM 0 H ASP A 98 -9.453 -7.644 0.897 1.00 0.31 H new ATOM 0 HA ASP A 98 -8.640 -9.251 -1.375 1.00 0.43 H new ATOM 0 HB2 ASP A 98 -9.186 -6.274 -1.567 1.00 0.56 H new ATOM 0 HB3 ASP A 98 -8.014 -7.061 -2.605 1.00 0.56 H new ATOM 1527 N CYS A 99 -6.230 -8.494 -0.898 1.00 0.35 N ATOM 1528 CA CYS A 99 -4.865 -8.209 -0.462 1.00 0.30 C ATOM 1529 C CYS A 99 -3.939 -8.126 -1.668 1.00 0.32 C ATOM 1530 O CYS A 99 -4.177 -8.774 -2.688 1.00 0.42 O ATOM 1531 CB CYS A 99 -4.358 -9.285 0.500 1.00 0.34 C ATOM 1532 SG CYS A 99 -5.361 -9.484 1.988 1.00 1.19 S ATOM 0 H CYS A 99 -6.291 -9.141 -1.684 1.00 0.35 H new ATOM 0 HA CYS A 99 -4.871 -7.253 0.061 1.00 0.30 H new ATOM 0 HB2 CYS A 99 -4.319 -10.238 -0.028 1.00 0.34 H new ATOM 0 HB3 CYS A 99 -3.337 -9.041 0.794 1.00 0.34 H new ATOM 0 HG CYS A 99 -6.302 -8.587 2.000 1.00 1.19 H new ATOM 1538 N SER A 100 -2.893 -7.328 -1.556 1.00 0.27 N ATOM 1539 CA SER A 100 -1.975 -7.131 -2.667 1.00 0.30 C ATOM 1540 C SER A 100 -0.532 -7.353 -2.251 1.00 0.31 C ATOM 1541 O SER A 100 -0.103 -6.914 -1.180 1.00 0.42 O ATOM 1542 CB SER A 100 -2.143 -5.730 -3.248 1.00 0.38 C ATOM 1543 OG SER A 100 -2.008 -4.734 -2.249 1.00 0.84 O ATOM 0 H SER A 100 -2.657 -6.807 -0.711 1.00 0.27 H new ATOM 0 HA SER A 100 -2.218 -7.870 -3.430 1.00 0.30 H new ATOM 0 HB2 SER A 100 -1.400 -5.567 -4.028 1.00 0.38 H new ATOM 0 HB3 SER A 100 -3.123 -5.645 -3.718 1.00 0.38 H new ATOM 0 HG SER A 100 -2.554 -3.956 -2.487 1.00 0.84 H new ATOM 1549 N ASN A 101 0.194 -8.070 -3.091 1.00 0.34 N ATOM 1550 CA ASN A 101 1.627 -8.223 -2.922 1.00 0.37 C ATOM 1551 C ASN A 101 2.331 -7.036 -3.524 1.00 0.42 C ATOM 1552 O ASN A 101 1.905 -6.534 -4.565 1.00 0.65 O ATOM 1553 CB ASN A 101 2.157 -9.463 -3.678 1.00 0.60 C ATOM 1554 CG ASN A 101 2.274 -9.194 -5.185 1.00 0.97 C ATOM 1555 OD1 ASN A 101 1.357 -9.495 -5.953 1.00 1.58 O ATOM 1556 ND2 ASN A 101 3.395 -8.599 -5.614 1.00 1.05 N ATOM 0 H ASN A 101 -0.189 -8.558 -3.901 1.00 0.34 H new ATOM 0 HA ASN A 101 1.815 -8.321 -1.853 1.00 0.37 H new ATOM 0 HB2 ASN A 101 3.132 -9.744 -3.280 1.00 0.60 H new ATOM 0 HB3 ASN A 101 1.489 -10.307 -3.509 1.00 0.60 H new ATOM 0 HD21 ASN A 101 3.510 -8.381 -6.604 1.00 1.05 H new ATOM 0 HD22 ASN A 101 4.134 -8.364 -4.951 1.00 1.05 H new ATOM 1563 N PHE A 102 3.345 -6.526 -2.865 1.00 0.31 N ATOM 1564 CA PHE A 102 4.400 -5.867 -3.581 1.00 0.38 C ATOM 1565 C PHE A 102 5.722 -5.990 -2.871 1.00 0.30 C ATOM 1566 O PHE A 102 5.823 -5.711 -1.683 1.00 0.37 O ATOM 1567 CB PHE A 102 4.083 -4.434 -3.954 1.00 0.57 C ATOM 1568 CG PHE A 102 3.188 -3.654 -3.056 1.00 0.46 C ATOM 1569 CD1 PHE A 102 1.885 -4.053 -2.805 1.00 0.59 C ATOM 1570 CD2 PHE A 102 3.632 -2.476 -2.520 1.00 0.61 C ATOM 1571 CE1 PHE A 102 1.061 -3.292 -2.026 1.00 0.74 C ATOM 1572 CE2 PHE A 102 2.809 -1.705 -1.751 1.00 0.84 C ATOM 1573 CZ PHE A 102 1.523 -2.117 -1.499 1.00 0.86 C ATOM 0 H PHE A 102 3.457 -6.556 -1.852 1.00 0.31 H new ATOM 0 HA PHE A 102 4.487 -6.398 -4.529 1.00 0.38 H new ATOM 0 HB2 PHE A 102 5.027 -3.894 -4.034 1.00 0.57 H new ATOM 0 HB3 PHE A 102 3.634 -4.440 -4.947 1.00 0.57 H new ATOM 0 HD1 PHE A 102 1.517 -4.975 -3.230 1.00 0.59 H new ATOM 0 HD2 PHE A 102 4.645 -2.153 -2.708 1.00 0.61 H new ATOM 0 HE1 PHE A 102 0.050 -3.616 -1.827 1.00 0.74 H new ATOM 0 HE2 PHE A 102 3.168 -0.773 -1.341 1.00 0.84 H new ATOM 0 HZ PHE A 102 0.875 -1.512 -0.883 1.00 0.86 H new ATOM 1583 N ASN A 103 6.733 -6.424 -3.599 1.00 0.24 N ATOM 1584 CA ASN A 103 8.049 -6.557 -3.051 1.00 0.25 C ATOM 1585 C ASN A 103 9.010 -5.584 -3.691 1.00 0.28 C ATOM 1586 O ASN A 103 9.169 -5.533 -4.905 1.00 0.49 O ATOM 1587 CB ASN A 103 8.559 -7.975 -3.203 1.00 0.33 C ATOM 1588 CG ASN A 103 8.173 -8.639 -4.500 1.00 1.08 C ATOM 1589 OD1 ASN A 103 8.877 -8.537 -5.499 1.00 2.11 O ATOM 1590 ND2 ASN A 103 7.064 -9.343 -4.488 1.00 1.25 N ATOM 0 H ASN A 103 6.656 -6.690 -4.581 1.00 0.24 H new ATOM 0 HA ASN A 103 7.986 -6.324 -1.988 1.00 0.25 H new ATOM 0 HB2 ASN A 103 9.646 -7.968 -3.122 1.00 0.33 H new ATOM 0 HB3 ASN A 103 8.181 -8.575 -2.375 1.00 0.33 H new ATOM 0 HD21 ASN A 103 6.760 -9.830 -5.331 1.00 1.25 H new ATOM 0 HD22 ASN A 103 6.507 -9.402 -3.636 1.00 1.25 H new ATOM 1597 N LEU A 104 9.649 -4.830 -2.842 1.00 0.23 N ATOM 1598 CA LEU A 104 10.597 -3.815 -3.268 1.00 0.24 C ATOM 1599 C LEU A 104 12.011 -4.309 -3.031 1.00 0.25 C ATOM 1600 O LEU A 104 12.501 -4.345 -1.907 1.00 0.37 O ATOM 1601 CB LEU A 104 10.353 -2.466 -2.556 1.00 0.27 C ATOM 1602 CG LEU A 104 11.596 -1.659 -2.259 1.00 0.25 C ATOM 1603 CD1 LEU A 104 11.542 -0.362 -3.025 1.00 0.28 C ATOM 1604 CD2 LEU A 104 11.782 -1.412 -0.760 1.00 0.30 C ATOM 0 H LEU A 104 9.534 -4.895 -1.831 1.00 0.23 H new ATOM 0 HA LEU A 104 10.454 -3.638 -4.334 1.00 0.24 H new ATOM 0 HB2 LEU A 104 9.687 -1.863 -3.174 1.00 0.27 H new ATOM 0 HB3 LEU A 104 9.831 -2.658 -1.618 1.00 0.27 H new ATOM 0 HG LEU A 104 12.464 -2.234 -2.583 1.00 0.25 H new ATOM 0 HD11 LEU A 104 12.437 0.223 -2.813 1.00 0.28 H new ATOM 0 HD12 LEU A 104 11.490 -0.572 -4.093 1.00 0.28 H new ATOM 0 HD13 LEU A 104 10.660 0.202 -2.723 1.00 0.28 H new ATOM 0 HD21 LEU A 104 12.688 -0.828 -0.597 1.00 0.30 H new ATOM 0 HD22 LEU A 104 10.923 -0.864 -0.372 1.00 0.30 H new ATOM 0 HD23 LEU A 104 11.868 -2.367 -0.242 1.00 0.30 H new ATOM 1616 N THR A 105 12.667 -4.703 -4.089 1.00 0.23 N ATOM 1617 CA THR A 105 14.011 -5.186 -3.970 1.00 0.24 C ATOM 1618 C THR A 105 14.951 -4.003 -3.990 1.00 0.21 C ATOM 1619 O THR A 105 15.283 -3.471 -5.047 1.00 0.22 O ATOM 1620 CB THR A 105 14.376 -6.164 -5.090 1.00 0.28 C ATOM 1621 OG1 THR A 105 13.339 -7.147 -5.237 1.00 0.33 O ATOM 1622 CG2 THR A 105 15.689 -6.860 -4.781 1.00 0.32 C ATOM 0 H THR A 105 12.293 -4.698 -5.038 1.00 0.23 H new ATOM 0 HA THR A 105 14.099 -5.732 -3.031 1.00 0.24 H new ATOM 0 HB THR A 105 14.482 -5.602 -6.018 1.00 0.28 H new ATOM 0 HG1 THR A 105 13.577 -7.769 -5.956 1.00 0.33 H new ATOM 0 HG21 THR A 105 15.933 -7.551 -5.588 1.00 0.32 H new ATOM 0 HG22 THR A 105 16.481 -6.117 -4.688 1.00 0.32 H new ATOM 0 HG23 THR A 105 15.597 -7.412 -3.846 1.00 0.32 H new ATOM 1630 N VAL A 106 15.320 -3.572 -2.807 1.00 0.23 N ATOM 1631 CA VAL A 106 16.208 -2.467 -2.637 1.00 0.23 C ATOM 1632 C VAL A 106 17.623 -2.922 -2.904 1.00 0.25 C ATOM 1633 O VAL A 106 18.196 -3.769 -2.220 1.00 0.28 O ATOM 1634 CB VAL A 106 16.093 -1.833 -1.239 1.00 0.27 C ATOM 1635 CG1 VAL A 106 16.240 -2.881 -0.162 1.00 0.31 C ATOM 1636 CG2 VAL A 106 17.087 -0.694 -1.093 1.00 0.33 C ATOM 0 H VAL A 106 15.004 -3.989 -1.932 1.00 0.23 H new ATOM 0 HA VAL A 106 15.928 -1.693 -3.351 1.00 0.23 H new ATOM 0 HB VAL A 106 15.098 -1.404 -1.120 1.00 0.27 H new ATOM 0 HG11 VAL A 106 16.155 -2.410 0.818 1.00 0.31 H new ATOM 0 HG12 VAL A 106 15.456 -3.630 -0.274 1.00 0.31 H new ATOM 0 HG13 VAL A 106 17.215 -3.360 -0.251 1.00 0.31 H new ATOM 0 HG21 VAL A 106 16.994 -0.255 -0.100 1.00 0.33 H new ATOM 0 HG22 VAL A 106 18.099 -1.075 -1.228 1.00 0.33 H new ATOM 0 HG23 VAL A 106 16.882 0.067 -1.846 1.00 0.33 H new ATOM 1646 N HIS A 107 18.135 -2.374 -3.948 1.00 0.26 N ATOM 1647 CA HIS A 107 19.451 -2.678 -4.427 1.00 0.31 C ATOM 1648 C HIS A 107 20.473 -1.951 -3.595 1.00 0.34 C ATOM 1649 O HIS A 107 20.753 -0.773 -3.803 1.00 0.36 O ATOM 1650 CB HIS A 107 19.595 -2.273 -5.891 1.00 0.36 C ATOM 1651 CG HIS A 107 18.922 -3.194 -6.865 1.00 0.43 C ATOM 1652 ND1 HIS A 107 19.481 -3.522 -8.075 1.00 1.19 N ATOM 1653 CD2 HIS A 107 17.734 -3.844 -6.814 1.00 0.70 C ATOM 1654 CE1 HIS A 107 18.669 -4.328 -8.730 1.00 1.10 C ATOM 1655 NE2 HIS A 107 17.602 -4.543 -7.987 1.00 0.53 N ATOM 0 H HIS A 107 17.643 -1.682 -4.513 1.00 0.26 H new ATOM 0 HA HIS A 107 19.613 -3.753 -4.346 1.00 0.31 H new ATOM 0 HB2 HIS A 107 19.187 -1.270 -6.018 1.00 0.36 H new ATOM 0 HB3 HIS A 107 20.656 -2.219 -6.136 1.00 0.36 H new ATOM 0 HD2 HIS A 107 17.023 -3.817 -6.001 1.00 0.70 H new ATOM 0 HE1 HIS A 107 18.848 -4.743 -9.711 1.00 1.10 H new ATOM 0 HE2 HIS A 107 16.809 -5.132 -8.242 1.00 0.53 H new ATOM 1664 N GLU A 108 21.002 -2.673 -2.645 1.00 0.45 N ATOM 1665 CA GLU A 108 22.112 -2.196 -1.839 1.00 0.56 C ATOM 1666 C GLU A 108 23.403 -2.270 -2.647 1.00 0.71 C ATOM 1667 O GLU A 108 24.278 -1.415 -2.531 1.00 1.33 O ATOM 1668 CB GLU A 108 22.235 -3.030 -0.562 1.00 0.71 C ATOM 1669 CG GLU A 108 23.291 -2.523 0.405 1.00 0.87 C ATOM 1670 CD GLU A 108 23.491 -3.454 1.580 1.00 1.20 C ATOM 1671 OE1 GLU A 108 22.789 -3.297 2.600 1.00 1.66 O ATOM 1672 OE2 GLU A 108 24.351 -4.352 1.486 1.00 1.67 O ATOM 0 H GLU A 108 20.681 -3.610 -2.401 1.00 0.45 H new ATOM 0 HA GLU A 108 21.929 -1.159 -1.557 1.00 0.56 H new ATOM 0 HB2 GLU A 108 21.270 -3.045 -0.055 1.00 0.71 H new ATOM 0 HB3 GLU A 108 22.469 -4.059 -0.833 1.00 0.71 H new ATOM 0 HG2 GLU A 108 24.236 -2.402 -0.124 1.00 0.87 H new ATOM 0 HG3 GLU A 108 23.002 -1.538 0.771 1.00 0.87 H new