USER MOD reduce.3.24.130724 H: found=0, std=0, add=910, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 912 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 81 CYS SG : rot 49:sc= -1.04 USER MOD Set 1.2: A 91 CYS SG : rot -90:sc= 0.964 USER MOD Set 2.1: A 51 THR OG1 : rot 50:sc= 0.942 USER MOD Set 2.2: A 53 LYS NZ :NH3+ -174:sc= 1.55 (180deg=0.181) USER MOD Set 3.1: A 20 LYS NZ :NH3+ -176:sc= -0.456 (180deg=-0.546) USER MOD Set 3.2: A 84 SER OG : rot -46:sc= 0.592 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 THR OG1 : rot 180:sc= -0.0704 USER MOD Single : A 21 THR OG1 : rot -40:sc= 0.927 USER MOD Single : A 24 LYS NZ :NH3+ -162:sc= 0.271 (180deg=0.15) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 ASN :FLIP amide:sc= -0.113 F(o=-1.7!,f=-0.11) USER MOD Single : A 35 LYS NZ :NH3+ -164:sc= -0.0457 (180deg=-0.301) USER MOD Single : A 36 LYS NZ :NH3+ -171:sc= 1.04 (180deg=0.947) USER MOD Single : A 38 ASN : amide:sc= -2.04! K(o=-2!,f=-2.9) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 HIS : no HD1:sc= 0.826 K(o=0.83,f=-4.4!) USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 SER OG : rot -130:sc= 0.35 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot 180:sc= 0.0205 USER MOD Single : A 62 ASN :FLIP amide:sc= 0 F(o=-1.6!,f=0) USER MOD Single : A 66 LYS NZ :NH3+ -175:sc=-0.00573 (180deg=-0.057) USER MOD Single : A 68 HIS : no HE2:sc= 0.718 K(o=0.72,f=-5!) USER MOD Single : A 71 GLN : amide:sc= -1.52! C(o=-1.5!,f=-13!) USER MOD Single : A 76 LYS NZ :NH3+ 174:sc= 2.33 (180deg=2.03) USER MOD Single : A 83 SER OG : rot -40:sc= 0.303 USER MOD Single : A 85 MET CE :methyl 145:sc= -9.5! (180deg=-12!) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 90 LYS NZ :NH3+ -172:sc= 2.45 (180deg=2.35) USER MOD Single : A 97 SER OG : rot 180:sc= 0.0125 USER MOD Single : A 98 MET CE :methyl -139:sc= 0 (180deg=-0.794) USER MOD Single : A 99 TYR OH : rot -56:sc= 0.00554 USER MOD Single : A 101 TYR OH : rot 180:sc= 0 USER MOD Single : A 109 SER OG : rot 35:sc= 0.216 USER MOD Single : A 113 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 114 SER OG : rot 59:sc= 0.518 USER MOD Single : A 124 SER OG : rot 2:sc= 0.469 USER MOD ----------------------------------------------------------------- ATOM 95 N PHE A 7 15.510 -1.160 1.537 1.00 0.87 N ATOM 96 CA PHE A 7 16.487 -1.603 2.522 1.00 0.77 C ATOM 97 C PHE A 7 17.772 -0.801 2.406 1.00 0.72 C ATOM 98 O PHE A 7 18.177 -0.406 1.313 1.00 0.87 O ATOM 99 CB PHE A 7 16.792 -3.100 2.379 1.00 0.77 C ATOM 100 CG PHE A 7 16.444 -3.689 1.041 1.00 1.61 C ATOM 101 CD1 PHE A 7 17.217 -3.425 -0.080 1.00 2.72 C ATOM 102 CD2 PHE A 7 15.342 -4.518 0.909 1.00 1.82 C ATOM 103 CE1 PHE A 7 16.895 -3.977 -1.306 1.00 3.60 C ATOM 104 CE2 PHE A 7 15.018 -5.074 -0.314 1.00 2.63 C ATOM 105 CZ PHE A 7 15.795 -4.802 -1.424 1.00 3.44 C ATOM 0 HA PHE A 7 16.052 -1.436 3.507 1.00 0.77 H new ATOM 0 HB2 PHE A 7 17.854 -3.259 2.565 1.00 0.77 H new ATOM 0 HB3 PHE A 7 16.248 -3.643 3.152 1.00 0.77 H new ATOM 0 HD1 PHE A 7 18.080 -2.781 0.006 1.00 2.72 H new ATOM 0 HD2 PHE A 7 14.729 -4.732 1.772 1.00 1.82 H new ATOM 0 HE1 PHE A 7 17.504 -3.763 -2.171 1.00 3.60 H new ATOM 0 HE2 PHE A 7 14.158 -5.721 -0.402 1.00 2.63 H new ATOM 0 HZ PHE A 7 15.542 -5.234 -2.381 1.00 3.44 H new ATOM 115 N GLU A 8 18.395 -0.557 3.543 1.00 0.72 N ATOM 116 CA GLU A 8 19.652 0.161 3.590 1.00 0.76 C ATOM 117 C GLU A 8 20.795 -0.830 3.780 1.00 0.62 C ATOM 118 O GLU A 8 20.647 -1.826 4.493 1.00 0.61 O ATOM 119 CB GLU A 8 19.623 1.178 4.732 1.00 1.01 C ATOM 120 CG GLU A 8 20.823 2.107 4.775 1.00 1.20 C ATOM 121 CD GLU A 8 20.716 3.125 5.889 1.00 1.97 C ATOM 122 OE1 GLU A 8 19.908 4.070 5.756 1.00 2.22 O ATOM 123 OE2 GLU A 8 21.427 2.983 6.904 1.00 2.71 O ATOM 0 H GLU A 8 18.045 -0.850 4.455 1.00 0.72 H new ATOM 0 HA GLU A 8 19.805 0.698 2.654 1.00 0.76 H new ATOM 0 HB2 GLU A 8 18.717 1.778 4.645 1.00 1.01 H new ATOM 0 HB3 GLU A 8 19.560 0.641 5.679 1.00 1.01 H new ATOM 0 HG2 GLU A 8 21.731 1.519 4.908 1.00 1.20 H new ATOM 0 HG3 GLU A 8 20.915 2.624 3.820 1.00 1.20 H new ATOM 130 N LYS A 9 21.920 -0.571 3.130 1.00 0.60 N ATOM 131 CA LYS A 9 23.075 -1.447 3.253 1.00 0.53 C ATOM 132 C LYS A 9 23.848 -1.092 4.511 1.00 0.50 C ATOM 133 O LYS A 9 23.875 0.069 4.923 1.00 0.56 O ATOM 134 CB LYS A 9 24.011 -1.326 2.040 1.00 0.63 C ATOM 135 CG LYS A 9 23.307 -1.296 0.686 1.00 0.72 C ATOM 136 CD LYS A 9 23.113 0.127 0.183 1.00 0.95 C ATOM 137 CE LYS A 9 24.447 0.838 -0.012 1.00 1.49 C ATOM 138 NZ LYS A 9 24.266 2.240 -0.470 1.00 1.88 N ATOM 0 H LYS A 9 22.057 0.232 2.517 1.00 0.60 H new ATOM 0 HA LYS A 9 22.711 -2.473 3.304 1.00 0.53 H new ATOM 0 HB2 LYS A 9 24.603 -0.417 2.146 1.00 0.63 H new ATOM 0 HB3 LYS A 9 24.708 -2.164 2.052 1.00 0.63 H new ATOM 0 HG2 LYS A 9 23.891 -1.862 -0.040 1.00 0.72 H new ATOM 0 HG3 LYS A 9 22.338 -1.788 0.769 1.00 0.72 H new ATOM 0 HD2 LYS A 9 22.568 0.109 -0.761 1.00 0.95 H new ATOM 0 HD3 LYS A 9 22.503 0.685 0.893 1.00 0.95 H new ATOM 0 HE2 LYS A 9 25.002 0.831 0.926 1.00 1.49 H new ATOM 0 HE3 LYS A 9 25.046 0.292 -0.741 1.00 1.49 H new ATOM 0 HZ1 LYS A 9 25.196 2.689 -0.591 1.00 1.88 H new ATOM 0 HZ2 LYS A 9 23.758 2.246 -1.378 1.00 1.88 H new ATOM 0 HZ3 LYS A 9 23.716 2.768 0.237 1.00 1.88 H new ATOM 152 N VAL A 10 24.478 -2.082 5.116 1.00 0.46 N ATOM 153 CA VAL A 10 25.322 -1.833 6.267 1.00 0.46 C ATOM 154 C VAL A 10 26.777 -1.853 5.826 1.00 0.48 C ATOM 155 O VAL A 10 27.343 -2.913 5.551 1.00 0.54 O ATOM 156 CB VAL A 10 25.107 -2.878 7.383 1.00 0.51 C ATOM 157 CG1 VAL A 10 25.901 -2.492 8.622 1.00 0.54 C ATOM 158 CG2 VAL A 10 23.624 -3.019 7.706 1.00 0.59 C ATOM 0 H VAL A 10 24.421 -3.060 4.831 1.00 0.46 H new ATOM 0 HA VAL A 10 25.056 -0.858 6.676 1.00 0.46 H new ATOM 0 HB VAL A 10 25.467 -3.845 7.033 1.00 0.51 H new ATOM 0 HG11 VAL A 10 25.742 -3.236 9.403 1.00 0.54 H new ATOM 0 HG12 VAL A 10 26.962 -2.447 8.375 1.00 0.54 H new ATOM 0 HG13 VAL A 10 25.569 -1.517 8.978 1.00 0.54 H new ATOM 0 HG21 VAL A 10 23.492 -3.760 8.495 1.00 0.59 H new ATOM 0 HG22 VAL A 10 23.232 -2.059 8.041 1.00 0.59 H new ATOM 0 HG23 VAL A 10 23.086 -3.339 6.814 1.00 0.59 H new ATOM 168 N GLU A 11 27.364 -0.672 5.731 1.00 0.53 N ATOM 169 CA GLU A 11 28.722 -0.534 5.234 1.00 0.63 C ATOM 170 C GLU A 11 29.728 -0.593 6.375 1.00 0.55 C ATOM 171 O GLU A 11 29.782 0.308 7.216 1.00 0.59 O ATOM 172 CB GLU A 11 28.858 0.765 4.435 1.00 0.88 C ATOM 173 CG GLU A 11 27.997 0.775 3.179 1.00 1.37 C ATOM 174 CD GLU A 11 28.116 2.057 2.381 1.00 1.72 C ATOM 175 OE1 GLU A 11 29.212 2.651 2.358 1.00 2.02 O ATOM 176 OE2 GLU A 11 27.117 2.457 1.746 1.00 2.16 O ATOM 0 H GLU A 11 26.919 0.208 5.993 1.00 0.53 H new ATOM 0 HA GLU A 11 28.938 -1.369 4.568 1.00 0.63 H new ATOM 0 HB2 GLU A 11 28.579 1.607 5.068 1.00 0.88 H new ATOM 0 HB3 GLU A 11 29.902 0.908 4.156 1.00 0.88 H new ATOM 0 HG2 GLU A 11 28.280 -0.066 2.546 1.00 1.37 H new ATOM 0 HG3 GLU A 11 26.955 0.626 3.460 1.00 1.37 H new ATOM 183 N LEU A 12 30.488 -1.692 6.404 1.00 0.52 N ATOM 184 CA LEU A 12 31.529 -1.917 7.404 1.00 0.51 C ATOM 185 C LEU A 12 30.919 -2.030 8.796 1.00 0.52 C ATOM 186 O LEU A 12 31.099 -1.152 9.641 1.00 0.61 O ATOM 187 CB LEU A 12 32.581 -0.801 7.370 1.00 0.57 C ATOM 188 CG LEU A 12 33.291 -0.602 6.030 1.00 0.88 C ATOM 189 CD1 LEU A 12 34.254 0.569 6.117 1.00 1.35 C ATOM 190 CD2 LEU A 12 34.031 -1.862 5.620 1.00 1.45 C ATOM 0 H LEU A 12 30.396 -2.452 5.730 1.00 0.52 H new ATOM 0 HA LEU A 12 32.026 -2.857 7.163 1.00 0.51 H new ATOM 0 HB2 LEU A 12 32.099 0.136 7.648 1.00 0.57 H new ATOM 0 HB3 LEU A 12 33.332 -1.011 8.131 1.00 0.57 H new ATOM 0 HG LEU A 12 32.539 -0.386 5.271 1.00 0.88 H new ATOM 0 HD11 LEU A 12 34.754 0.701 5.157 1.00 1.35 H new ATOM 0 HD12 LEU A 12 33.703 1.476 6.367 1.00 1.35 H new ATOM 0 HD13 LEU A 12 34.998 0.372 6.889 1.00 1.35 H new ATOM 0 HD21 LEU A 12 34.528 -1.697 4.664 1.00 1.45 H new ATOM 0 HD22 LEU A 12 34.774 -2.110 6.378 1.00 1.45 H new ATOM 0 HD23 LEU A 12 33.323 -2.685 5.523 1.00 1.45 H new ATOM 202 N THR A 13 30.166 -3.101 9.017 1.00 0.50 N ATOM 203 CA THR A 13 29.544 -3.337 10.309 1.00 0.56 C ATOM 204 C THR A 13 30.585 -3.801 11.335 1.00 0.53 C ATOM 205 O THR A 13 31.708 -4.171 10.973 1.00 0.50 O ATOM 206 CB THR A 13 28.390 -4.364 10.203 1.00 0.68 C ATOM 207 OG1 THR A 13 27.686 -4.458 11.449 1.00 0.78 O ATOM 208 CG2 THR A 13 28.903 -5.740 9.813 1.00 0.69 C ATOM 0 H THR A 13 29.973 -3.818 8.317 1.00 0.50 H new ATOM 0 HA THR A 13 29.119 -2.392 10.648 1.00 0.56 H new ATOM 0 HB THR A 13 27.713 -4.012 9.425 1.00 0.68 H new ATOM 0 HG1 THR A 13 26.959 -5.110 11.365 1.00 0.78 H new ATOM 0 HG21 THR A 13 28.066 -6.435 9.748 1.00 0.69 H new ATOM 0 HG22 THR A 13 29.402 -5.682 8.846 1.00 0.69 H new ATOM 0 HG23 THR A 13 29.609 -6.092 10.565 1.00 0.69 H new ATOM 216 N ALA A 14 30.192 -3.804 12.605 1.00 0.61 N ATOM 217 CA ALA A 14 31.111 -4.058 13.711 1.00 0.66 C ATOM 218 C ALA A 14 31.567 -5.511 13.752 1.00 0.69 C ATOM 219 O ALA A 14 32.372 -5.898 14.600 1.00 0.79 O ATOM 220 CB ALA A 14 30.452 -3.674 15.026 1.00 0.81 C ATOM 0 H ALA A 14 29.230 -3.631 12.897 1.00 0.61 H new ATOM 0 HA ALA A 14 31.999 -3.445 13.555 1.00 0.66 H new ATOM 0 HB1 ALA A 14 31.142 -3.865 15.848 1.00 0.81 H new ATOM 0 HB2 ALA A 14 30.194 -2.615 15.008 1.00 0.81 H new ATOM 0 HB3 ALA A 14 29.547 -4.266 15.166 1.00 0.81 H new ATOM 226 N ASP A 15 31.068 -6.309 12.822 1.00 0.71 N ATOM 227 CA ASP A 15 31.412 -7.722 12.760 1.00 0.85 C ATOM 228 C ASP A 15 32.784 -7.909 12.113 1.00 0.74 C ATOM 229 O ASP A 15 33.293 -9.023 12.008 1.00 0.86 O ATOM 230 CB ASP A 15 30.340 -8.492 11.987 1.00 1.08 C ATOM 231 CG ASP A 15 30.386 -9.981 12.267 1.00 1.69 C ATOM 232 OD1 ASP A 15 29.831 -10.420 13.291 1.00 1.87 O ATOM 233 OD2 ASP A 15 30.981 -10.713 11.454 1.00 2.40 O ATOM 0 H ASP A 15 30.421 -6.001 12.096 1.00 0.71 H new ATOM 0 HA ASP A 15 31.457 -8.117 13.775 1.00 0.85 H new ATOM 0 HB2 ASP A 15 29.356 -8.105 12.252 1.00 1.08 H new ATOM 0 HB3 ASP A 15 30.473 -8.321 10.919 1.00 1.08 H new ATOM 238 N GLY A 16 33.402 -6.802 11.720 1.00 0.64 N ATOM 239 CA GLY A 16 34.725 -6.865 11.131 1.00 0.68 C ATOM 240 C GLY A 16 34.807 -6.245 9.748 1.00 0.57 C ATOM 241 O GLY A 16 35.698 -6.583 8.967 1.00 0.63 O ATOM 0 H GLY A 16 33.011 -5.863 11.799 1.00 0.64 H new ATOM 0 HA2 GLY A 16 35.431 -6.358 11.789 1.00 0.68 H new ATOM 0 HA3 GLY A 16 35.037 -7.908 11.071 1.00 0.68 H new ATOM 245 N GLY A 17 33.879 -5.345 9.444 1.00 0.54 N ATOM 246 CA GLY A 17 33.972 -4.553 8.232 1.00 0.52 C ATOM 247 C GLY A 17 33.615 -5.302 6.961 1.00 0.46 C ATOM 248 O GLY A 17 34.488 -5.610 6.153 1.00 0.61 O ATOM 0 H GLY A 17 33.060 -5.149 10.019 1.00 0.54 H new ATOM 0 HA2 GLY A 17 33.314 -3.689 8.326 1.00 0.52 H new ATOM 0 HA3 GLY A 17 34.989 -4.171 8.140 1.00 0.52 H new ATOM 252 N VAL A 18 32.329 -5.579 6.780 1.00 0.36 N ATOM 253 CA VAL A 18 31.831 -6.144 5.529 1.00 0.34 C ATOM 254 C VAL A 18 30.506 -5.488 5.153 1.00 0.32 C ATOM 255 O VAL A 18 29.714 -5.126 6.029 1.00 0.36 O ATOM 256 CB VAL A 18 31.667 -7.687 5.610 1.00 0.40 C ATOM 257 CG1 VAL A 18 30.841 -8.229 4.452 1.00 0.47 C ATOM 258 CG2 VAL A 18 33.024 -8.372 5.628 1.00 0.49 C ATOM 0 H VAL A 18 31.609 -5.421 7.485 1.00 0.36 H new ATOM 0 HA VAL A 18 32.571 -5.938 4.755 1.00 0.34 H new ATOM 0 HB VAL A 18 31.139 -7.903 6.539 1.00 0.40 H new ATOM 0 HG11 VAL A 18 30.750 -9.311 4.545 1.00 0.47 H new ATOM 0 HG12 VAL A 18 29.849 -7.778 4.470 1.00 0.47 H new ATOM 0 HG13 VAL A 18 31.332 -7.986 3.510 1.00 0.47 H new ATOM 0 HG21 VAL A 18 32.886 -9.452 5.685 1.00 0.49 H new ATOM 0 HG22 VAL A 18 33.569 -8.123 4.717 1.00 0.49 H new ATOM 0 HG23 VAL A 18 33.591 -8.033 6.495 1.00 0.49 H new ATOM 268 N ILE A 19 30.289 -5.314 3.853 1.00 0.31 N ATOM 269 CA ILE A 19 29.085 -4.663 3.342 1.00 0.31 C ATOM 270 C ILE A 19 27.974 -5.687 3.098 1.00 0.30 C ATOM 271 O ILE A 19 28.088 -6.531 2.206 1.00 0.30 O ATOM 272 CB ILE A 19 29.354 -3.925 2.005 1.00 0.34 C ATOM 273 CG1 ILE A 19 30.722 -3.225 2.007 1.00 0.41 C ATOM 274 CG2 ILE A 19 28.244 -2.916 1.734 1.00 0.36 C ATOM 275 CD1 ILE A 19 30.846 -2.110 3.020 1.00 0.47 C ATOM 0 H ILE A 19 30.938 -5.618 3.127 1.00 0.31 H new ATOM 0 HA ILE A 19 28.778 -3.942 4.100 1.00 0.31 H new ATOM 0 HB ILE A 19 29.367 -4.670 1.209 1.00 0.34 H new ATOM 0 HG12 ILE A 19 31.497 -3.966 2.203 1.00 0.41 H new ATOM 0 HG13 ILE A 19 30.912 -2.820 1.013 1.00 0.41 H new ATOM 0 HG21 ILE A 19 28.441 -2.402 0.793 1.00 0.36 H new ATOM 0 HG22 ILE A 19 27.288 -3.435 1.671 1.00 0.36 H new ATOM 0 HG23 ILE A 19 28.208 -2.188 2.544 1.00 0.36 H new ATOM 0 HD11 ILE A 19 31.841 -1.669 2.956 1.00 0.47 H new ATOM 0 HD12 ILE A 19 30.096 -1.346 2.814 1.00 0.47 H new ATOM 0 HD13 ILE A 19 30.690 -2.510 4.022 1.00 0.47 H new ATOM 287 N LYS A 20 26.899 -5.619 3.880 1.00 0.33 N ATOM 288 CA LYS A 20 25.758 -6.496 3.649 1.00 0.37 C ATOM 289 C LYS A 20 24.441 -5.739 3.774 1.00 0.33 C ATOM 290 O LYS A 20 24.317 -4.803 4.563 1.00 0.37 O ATOM 291 CB LYS A 20 25.777 -7.719 4.584 1.00 0.53 C ATOM 292 CG LYS A 20 25.672 -7.414 6.074 1.00 0.59 C ATOM 293 CD LYS A 20 25.570 -8.708 6.881 1.00 0.76 C ATOM 294 CE LYS A 20 25.483 -8.454 8.381 1.00 0.83 C ATOM 295 NZ LYS A 20 25.281 -9.722 9.150 1.00 1.34 N ATOM 0 H LYS A 20 26.796 -4.977 4.666 1.00 0.33 H new ATOM 0 HA LYS A 20 25.841 -6.863 2.626 1.00 0.37 H new ATOM 0 HB2 LYS A 20 24.953 -8.377 4.308 1.00 0.53 H new ATOM 0 HB3 LYS A 20 26.700 -8.272 4.409 1.00 0.53 H new ATOM 0 HG2 LYS A 20 26.544 -6.845 6.397 1.00 0.59 H new ATOM 0 HG3 LYS A 20 24.798 -6.791 6.263 1.00 0.59 H new ATOM 0 HD2 LYS A 20 24.691 -9.265 6.558 1.00 0.76 H new ATOM 0 HD3 LYS A 20 26.438 -9.333 6.671 1.00 0.76 H new ATOM 0 HE2 LYS A 20 26.396 -7.965 8.720 1.00 0.83 H new ATOM 0 HE3 LYS A 20 24.660 -7.770 8.586 1.00 0.83 H new ATOM 0 HZ1 LYS A 20 25.159 -9.501 10.159 1.00 1.34 H new ATOM 0 HZ2 LYS A 20 24.433 -10.210 8.798 1.00 1.34 H new ATOM 0 HZ3 LYS A 20 26.110 -10.338 9.029 1.00 1.34 H new ATOM 309 N THR A 21 23.473 -6.143 2.969 1.00 0.34 N ATOM 310 CA THR A 21 22.161 -5.514 2.951 1.00 0.36 C ATOM 311 C THR A 21 21.127 -6.435 3.583 1.00 0.36 C ATOM 312 O THR A 21 20.966 -7.577 3.154 1.00 0.40 O ATOM 313 CB THR A 21 21.736 -5.190 1.507 1.00 0.44 C ATOM 314 OG1 THR A 21 22.846 -4.605 0.810 1.00 0.49 O ATOM 315 CG2 THR A 21 20.550 -4.230 1.482 1.00 0.50 C ATOM 0 H THR A 21 23.573 -6.915 2.310 1.00 0.34 H new ATOM 0 HA THR A 21 22.221 -4.588 3.523 1.00 0.36 H new ATOM 0 HB THR A 21 21.431 -6.116 1.019 1.00 0.44 H new ATOM 0 HG1 THR A 21 23.319 -3.988 1.407 1.00 0.49 H new ATOM 0 HG21 THR A 21 20.273 -4.020 0.449 1.00 0.50 H new ATOM 0 HG22 THR A 21 19.704 -4.683 1.999 1.00 0.50 H new ATOM 0 HG23 THR A 21 20.824 -3.300 1.980 1.00 0.50 H new ATOM 323 N ILE A 22 20.439 -5.942 4.603 1.00 0.40 N ATOM 324 CA ILE A 22 19.441 -6.736 5.308 1.00 0.43 C ATOM 325 C ILE A 22 18.093 -6.690 4.585 1.00 0.44 C ATOM 326 O ILE A 22 17.618 -5.621 4.202 1.00 0.55 O ATOM 327 CB ILE A 22 19.284 -6.253 6.773 1.00 0.56 C ATOM 328 CG1 ILE A 22 18.275 -7.122 7.533 1.00 0.63 C ATOM 329 CG2 ILE A 22 18.871 -4.788 6.831 1.00 0.67 C ATOM 330 CD1 ILE A 22 18.714 -8.561 7.693 1.00 0.66 C ATOM 0 H ILE A 22 20.553 -4.994 4.962 1.00 0.40 H new ATOM 0 HA ILE A 22 19.788 -7.769 5.321 1.00 0.43 H new ATOM 0 HB ILE A 22 20.256 -6.351 7.256 1.00 0.56 H new ATOM 0 HG12 ILE A 22 18.107 -6.690 8.520 1.00 0.63 H new ATOM 0 HG13 ILE A 22 17.320 -7.099 7.008 1.00 0.63 H new ATOM 0 HG21 ILE A 22 18.769 -4.480 7.871 1.00 0.67 H new ATOM 0 HG22 ILE A 22 19.630 -4.176 6.344 1.00 0.67 H new ATOM 0 HG23 ILE A 22 17.917 -4.658 6.319 1.00 0.67 H new ATOM 0 HD11 ILE A 22 17.951 -9.115 8.240 1.00 0.66 H new ATOM 0 HD12 ILE A 22 18.854 -9.010 6.710 1.00 0.66 H new ATOM 0 HD13 ILE A 22 19.653 -8.596 8.245 1.00 0.66 H new ATOM 342 N LEU A 23 17.499 -7.856 4.370 1.00 0.41 N ATOM 343 CA LEU A 23 16.199 -7.929 3.714 1.00 0.47 C ATOM 344 C LEU A 23 15.108 -8.112 4.756 1.00 0.50 C ATOM 345 O LEU A 23 14.208 -7.282 4.894 1.00 0.67 O ATOM 346 CB LEU A 23 16.140 -9.085 2.698 1.00 0.54 C ATOM 347 CG LEU A 23 17.128 -9.020 1.521 1.00 0.53 C ATOM 348 CD1 LEU A 23 17.132 -7.641 0.884 1.00 0.83 C ATOM 349 CD2 LEU A 23 18.528 -9.421 1.957 1.00 0.64 C ATOM 0 H LEU A 23 17.892 -8.758 4.638 1.00 0.41 H new ATOM 0 HA LEU A 23 16.045 -6.995 3.173 1.00 0.47 H new ATOM 0 HB2 LEU A 23 16.310 -10.019 3.234 1.00 0.54 H new ATOM 0 HB3 LEU A 23 15.129 -9.130 2.292 1.00 0.54 H new ATOM 0 HG LEU A 23 16.794 -9.735 0.769 1.00 0.53 H new ATOM 0 HD11 LEU A 23 17.840 -7.625 0.055 1.00 0.83 H new ATOM 0 HD12 LEU A 23 16.134 -7.409 0.513 1.00 0.83 H new ATOM 0 HD13 LEU A 23 17.426 -6.898 1.626 1.00 0.83 H new ATOM 0 HD21 LEU A 23 19.205 -9.366 1.104 1.00 0.64 H new ATOM 0 HD22 LEU A 23 18.873 -8.745 2.739 1.00 0.64 H new ATOM 0 HD23 LEU A 23 18.511 -10.441 2.341 1.00 0.64 H new ATOM 361 N LYS A 24 15.201 -9.204 5.495 1.00 0.49 N ATOM 362 CA LYS A 24 14.237 -9.500 6.538 1.00 0.60 C ATOM 363 C LYS A 24 14.956 -9.650 7.873 1.00 0.60 C ATOM 364 O LYS A 24 15.851 -10.486 8.010 1.00 0.76 O ATOM 365 CB LYS A 24 13.473 -10.782 6.214 1.00 0.78 C ATOM 366 CG LYS A 24 12.303 -11.049 7.152 1.00 1.05 C ATOM 367 CD LYS A 24 11.805 -12.476 7.013 1.00 1.11 C ATOM 368 CE LYS A 24 12.860 -13.461 7.481 1.00 1.12 C ATOM 369 NZ LYS A 24 12.427 -14.874 7.320 1.00 1.56 N ATOM 0 H LYS A 24 15.937 -9.902 5.391 1.00 0.49 H new ATOM 0 HA LYS A 24 13.524 -8.678 6.600 1.00 0.60 H new ATOM 0 HB2 LYS A 24 13.102 -10.725 5.191 1.00 0.78 H new ATOM 0 HB3 LYS A 24 14.162 -11.626 6.256 1.00 0.78 H new ATOM 0 HG2 LYS A 24 12.610 -10.866 8.182 1.00 1.05 H new ATOM 0 HG3 LYS A 24 11.492 -10.355 6.933 1.00 1.05 H new ATOM 0 HD2 LYS A 24 10.894 -12.607 7.597 1.00 1.11 H new ATOM 0 HD3 LYS A 24 11.549 -12.677 5.973 1.00 1.11 H new ATOM 0 HE2 LYS A 24 13.779 -13.299 6.918 1.00 1.12 H new ATOM 0 HE3 LYS A 24 13.090 -13.272 8.529 1.00 1.12 H new ATOM 0 HZ1 LYS A 24 13.020 -15.489 7.914 1.00 1.56 H new ATOM 0 HZ2 LYS A 24 11.433 -14.968 7.610 1.00 1.56 H new ATOM 0 HZ3 LYS A 24 12.525 -15.156 6.324 1.00 1.56 H new ATOM 383 N LYS A 25 14.558 -8.848 8.846 1.00 0.61 N ATOM 384 CA LYS A 25 15.228 -8.825 10.139 1.00 0.64 C ATOM 385 C LYS A 25 14.735 -9.950 11.040 1.00 0.72 C ATOM 386 O LYS A 25 13.572 -10.357 10.965 1.00 0.90 O ATOM 387 CB LYS A 25 14.975 -7.494 10.850 1.00 0.76 C ATOM 388 CG LYS A 25 15.298 -6.263 10.018 1.00 1.52 C ATOM 389 CD LYS A 25 14.949 -4.989 10.768 1.00 1.72 C ATOM 390 CE LYS A 25 15.810 -4.824 12.006 1.00 2.60 C ATOM 391 NZ LYS A 25 15.346 -3.707 12.863 1.00 2.95 N ATOM 0 H LYS A 25 13.773 -8.202 8.767 1.00 0.61 H new ATOM 0 HA LYS A 25 16.294 -8.955 9.950 1.00 0.64 H new ATOM 0 HB2 LYS A 25 13.928 -7.450 11.150 1.00 0.76 H new ATOM 0 HB3 LYS A 25 15.569 -7.466 11.763 1.00 0.76 H new ATOM 0 HG2 LYS A 25 16.358 -6.260 9.764 1.00 1.52 H new ATOM 0 HG3 LYS A 25 14.745 -6.299 9.079 1.00 1.52 H new ATOM 0 HD2 LYS A 25 15.084 -4.129 10.111 1.00 1.72 H new ATOM 0 HD3 LYS A 25 13.897 -5.009 11.054 1.00 1.72 H new ATOM 0 HE2 LYS A 25 15.799 -5.750 12.581 1.00 2.60 H new ATOM 0 HE3 LYS A 25 16.843 -4.646 11.707 1.00 2.60 H new ATOM 0 HZ1 LYS A 25 15.962 -3.630 13.697 1.00 2.95 H new ATOM 0 HZ2 LYS A 25 15.381 -2.818 12.324 1.00 2.95 H new ATOM 0 HZ3 LYS A 25 14.369 -3.888 13.170 1.00 2.95 H new ATOM 405 N GLY A 26 15.625 -10.458 11.879 1.00 0.69 N ATOM 406 CA GLY A 26 15.199 -11.318 12.963 1.00 0.85 C ATOM 407 C GLY A 26 14.529 -10.506 14.053 1.00 0.88 C ATOM 408 O GLY A 26 14.923 -9.364 14.306 1.00 1.32 O ATOM 0 H GLY A 26 16.630 -10.291 11.829 1.00 0.69 H new ATOM 0 HA2 GLY A 26 14.508 -12.072 12.587 1.00 0.85 H new ATOM 0 HA3 GLY A 26 16.058 -11.849 13.373 1.00 0.85 H new ATOM 412 N ASP A 27 13.508 -11.065 14.686 1.00 0.84 N ATOM 413 CA ASP A 27 12.774 -10.331 15.715 1.00 1.01 C ATOM 414 C ASP A 27 13.498 -10.461 17.052 1.00 0.93 C ATOM 415 O ASP A 27 14.213 -9.549 17.465 1.00 1.24 O ATOM 416 CB ASP A 27 11.328 -10.829 15.811 1.00 1.33 C ATOM 417 CG ASP A 27 10.422 -9.854 16.544 1.00 2.08 C ATOM 418 OD1 ASP A 27 9.864 -8.949 15.898 1.00 2.38 O ATOM 419 OD2 ASP A 27 10.268 -9.985 17.781 1.00 2.77 O ATOM 0 H ASP A 27 13.170 -12.011 14.511 1.00 0.84 H new ATOM 0 HA ASP A 27 12.736 -9.276 15.444 1.00 1.01 H new ATOM 0 HB2 ASP A 27 10.938 -10.997 14.807 1.00 1.33 H new ATOM 0 HB3 ASP A 27 11.312 -11.790 16.324 1.00 1.33 H new ATOM 424 N GLU A 28 13.342 -11.596 17.714 1.00 0.91 N ATOM 425 CA GLU A 28 14.135 -11.898 18.898 1.00 0.91 C ATOM 426 C GLU A 28 14.944 -13.165 18.650 1.00 0.96 C ATOM 427 O GLU A 28 14.662 -13.904 17.708 1.00 1.22 O ATOM 428 CB GLU A 28 13.252 -12.077 20.139 1.00 1.11 C ATOM 429 CG GLU A 28 12.322 -13.286 20.079 1.00 1.59 C ATOM 430 CD GLU A 28 11.065 -13.026 19.275 1.00 2.09 C ATOM 431 OE1 GLU A 28 11.076 -13.250 18.046 1.00 2.56 O ATOM 432 OE2 GLU A 28 10.054 -12.605 19.881 1.00 2.64 O ATOM 0 H GLU A 28 12.675 -12.323 17.454 1.00 0.91 H new ATOM 0 HA GLU A 28 14.803 -11.058 19.087 1.00 0.91 H new ATOM 0 HB2 GLU A 28 13.893 -12.169 21.016 1.00 1.11 H new ATOM 0 HB3 GLU A 28 12.651 -11.178 20.276 1.00 1.11 H new ATOM 0 HG2 GLU A 28 12.858 -14.129 19.642 1.00 1.59 H new ATOM 0 HG3 GLU A 28 12.045 -13.575 21.093 1.00 1.59 H new ATOM 439 N GLY A 29 15.943 -13.417 19.485 1.00 0.88 N ATOM 440 CA GLY A 29 16.742 -14.611 19.316 1.00 1.04 C ATOM 441 C GLY A 29 18.118 -14.511 19.942 1.00 0.79 C ATOM 442 O GLY A 29 19.121 -14.441 19.233 1.00 0.90 O ATOM 0 H GLY A 29 16.212 -12.822 20.269 1.00 0.88 H new ATOM 0 HA2 GLY A 29 16.213 -15.458 19.754 1.00 1.04 H new ATOM 0 HA3 GLY A 29 16.850 -14.819 18.251 1.00 1.04 H new ATOM 446 N GLU A 30 18.163 -14.509 21.268 1.00 0.73 N ATOM 447 CA GLU A 30 19.426 -14.505 22.005 1.00 0.80 C ATOM 448 C GLU A 30 20.067 -15.893 21.959 1.00 0.78 C ATOM 449 O GLU A 30 21.292 -16.036 21.965 1.00 0.96 O ATOM 450 CB GLU A 30 19.171 -14.085 23.459 1.00 1.08 C ATOM 451 CG GLU A 30 20.390 -14.159 24.367 1.00 1.35 C ATOM 452 CD GLU A 30 21.450 -13.133 24.019 1.00 1.68 C ATOM 453 OE1 GLU A 30 21.267 -11.943 24.343 1.00 1.89 O ATOM 454 OE2 GLU A 30 22.460 -13.513 23.394 1.00 2.29 O ATOM 0 H GLU A 30 17.334 -14.510 21.862 1.00 0.73 H new ATOM 0 HA GLU A 30 20.109 -13.793 21.543 1.00 0.80 H new ATOM 0 HB2 GLU A 30 18.791 -13.063 23.466 1.00 1.08 H new ATOM 0 HB3 GLU A 30 18.387 -14.719 23.874 1.00 1.08 H new ATOM 0 HG2 GLU A 30 20.076 -14.013 25.400 1.00 1.35 H new ATOM 0 HG3 GLU A 30 20.823 -15.157 24.304 1.00 1.35 H new ATOM 461 N GLU A 31 19.220 -16.907 21.893 1.00 0.76 N ATOM 462 CA GLU A 31 19.657 -18.293 21.952 1.00 0.86 C ATOM 463 C GLU A 31 20.042 -18.816 20.569 1.00 0.78 C ATOM 464 O GLU A 31 21.013 -19.559 20.428 1.00 1.11 O ATOM 465 CB GLU A 31 18.565 -19.179 22.580 1.00 1.09 C ATOM 466 CG GLU A 31 17.283 -19.318 21.754 1.00 1.56 C ATOM 467 CD GLU A 31 16.609 -17.994 21.465 1.00 2.17 C ATOM 468 OE1 GLU A 31 15.977 -17.430 22.380 1.00 2.54 O ATOM 469 OE2 GLU A 31 16.734 -17.503 20.324 1.00 2.64 O ATOM 0 H GLU A 31 18.211 -16.793 21.797 1.00 0.76 H new ATOM 0 HA GLU A 31 20.545 -18.334 22.583 1.00 0.86 H new ATOM 0 HB2 GLU A 31 18.979 -20.173 22.749 1.00 1.09 H new ATOM 0 HB3 GLU A 31 18.306 -18.771 23.557 1.00 1.09 H new ATOM 0 HG2 GLU A 31 17.519 -19.811 20.811 1.00 1.56 H new ATOM 0 HG3 GLU A 31 16.585 -19.964 22.286 1.00 1.56 H new ATOM 476 N ASN A 32 19.289 -18.432 19.545 1.00 0.51 N ATOM 477 CA ASN A 32 19.570 -18.904 18.195 1.00 0.55 C ATOM 478 C ASN A 32 20.458 -17.923 17.446 1.00 0.49 C ATOM 479 O ASN A 32 19.981 -17.110 16.645 1.00 0.57 O ATOM 480 CB ASN A 32 18.281 -19.174 17.406 1.00 0.71 C ATOM 481 CG ASN A 32 17.535 -20.406 17.896 1.00 0.95 C ATOM 482 OD1 ASN A 32 18.267 -21.376 18.427 1.00 1.45 O flip ATOM 483 ND2 ASN A 32 16.310 -20.489 17.785 1.00 1.19 N flip ATOM 0 H ASN A 32 18.489 -17.803 19.621 1.00 0.51 H new ATOM 0 HA ASN A 32 20.104 -19.849 18.291 1.00 0.55 H new ATOM 0 HB2 ASN A 32 17.627 -18.305 17.480 1.00 0.71 H new ATOM 0 HB3 ASN A 32 18.526 -19.299 16.351 1.00 0.71 H new ATOM 0 HD21 ASN A 32 15.782 -19.721 17.371 1.00 1.19 H new ATOM 0 HD22 ASN A 32 15.824 -21.326 18.107 1.00 1.19 H new ATOM 490 N ILE A 33 21.748 -17.995 17.741 1.00 0.47 N ATOM 491 CA ILE A 33 22.750 -17.159 17.097 1.00 0.51 C ATOM 492 C ILE A 33 23.922 -18.012 16.613 1.00 0.44 C ATOM 493 O ILE A 33 24.504 -18.779 17.383 1.00 0.47 O ATOM 494 CB ILE A 33 23.268 -16.063 18.063 1.00 0.66 C ATOM 495 CG1 ILE A 33 22.163 -15.051 18.374 1.00 0.74 C ATOM 496 CG2 ILE A 33 24.485 -15.351 17.487 1.00 0.76 C ATOM 497 CD1 ILE A 33 21.722 -14.237 17.175 1.00 0.81 C ATOM 0 H ILE A 33 22.130 -18.637 18.436 1.00 0.47 H new ATOM 0 HA ILE A 33 22.279 -16.673 16.242 1.00 0.51 H new ATOM 0 HB ILE A 33 23.567 -16.553 18.990 1.00 0.66 H new ATOM 0 HG12 ILE A 33 21.301 -15.582 18.778 1.00 0.74 H new ATOM 0 HG13 ILE A 33 22.513 -14.373 19.152 1.00 0.74 H new ATOM 0 HG21 ILE A 33 24.825 -14.588 18.187 1.00 0.76 H new ATOM 0 HG22 ILE A 33 25.284 -16.073 17.321 1.00 0.76 H new ATOM 0 HG23 ILE A 33 24.218 -14.881 16.540 1.00 0.76 H new ATOM 0 HD11 ILE A 33 20.937 -13.543 17.475 1.00 0.81 H new ATOM 0 HD12 ILE A 33 22.571 -13.677 16.783 1.00 0.81 H new ATOM 0 HD13 ILE A 33 21.340 -14.905 16.403 1.00 0.81 H new ATOM 509 N PRO A 34 24.263 -17.912 15.321 1.00 0.46 N ATOM 510 CA PRO A 34 25.410 -18.612 14.746 1.00 0.44 C ATOM 511 C PRO A 34 26.728 -17.976 15.177 1.00 0.52 C ATOM 512 O PRO A 34 26.839 -16.755 15.263 1.00 0.75 O ATOM 513 CB PRO A 34 25.204 -18.447 13.241 1.00 0.51 C ATOM 514 CG PRO A 34 24.445 -17.176 13.110 1.00 0.54 C ATOM 515 CD PRO A 34 23.555 -17.103 14.319 1.00 0.62 C ATOM 0 HA PRO A 34 25.468 -19.652 15.066 1.00 0.44 H new ATOM 0 HB2 PRO A 34 26.156 -18.398 12.712 1.00 0.51 H new ATOM 0 HB3 PRO A 34 24.649 -19.286 12.821 1.00 0.51 H new ATOM 0 HG2 PRO A 34 25.119 -16.321 13.069 1.00 0.54 H new ATOM 0 HG3 PRO A 34 23.858 -17.164 12.191 1.00 0.54 H new ATOM 0 HD2 PRO A 34 23.421 -16.075 14.656 1.00 0.62 H new ATOM 0 HD3 PRO A 34 22.562 -17.502 14.110 1.00 0.62 H new ATOM 523 N LYS A 35 27.721 -18.802 15.458 1.00 0.49 N ATOM 524 CA LYS A 35 29.028 -18.308 15.869 1.00 0.60 C ATOM 525 C LYS A 35 30.100 -18.926 14.991 1.00 0.56 C ATOM 526 O LYS A 35 29.948 -20.059 14.529 1.00 0.58 O ATOM 527 CB LYS A 35 29.295 -18.639 17.342 1.00 0.83 C ATOM 528 CG LYS A 35 28.220 -18.133 18.293 1.00 1.17 C ATOM 529 CD LYS A 35 28.162 -16.615 18.336 1.00 1.46 C ATOM 530 CE LYS A 35 29.406 -16.017 18.978 1.00 1.98 C ATOM 531 NZ LYS A 35 29.581 -16.460 20.391 1.00 2.66 N ATOM 0 H LYS A 35 27.649 -19.818 15.410 1.00 0.49 H new ATOM 0 HA LYS A 35 29.047 -17.224 15.756 1.00 0.60 H new ATOM 0 HB2 LYS A 35 29.383 -19.720 17.451 1.00 0.83 H new ATOM 0 HB3 LYS A 35 30.254 -18.210 17.632 1.00 0.83 H new ATOM 0 HG2 LYS A 35 27.250 -18.524 17.984 1.00 1.17 H new ATOM 0 HG3 LYS A 35 28.413 -18.516 19.295 1.00 1.17 H new ATOM 0 HD2 LYS A 35 28.054 -16.227 17.323 1.00 1.46 H new ATOM 0 HD3 LYS A 35 27.279 -16.301 18.893 1.00 1.46 H new ATOM 0 HE2 LYS A 35 30.284 -16.302 18.399 1.00 1.98 H new ATOM 0 HE3 LYS A 35 29.342 -14.929 18.946 1.00 1.98 H new ATOM 0 HZ1 LYS A 35 30.263 -15.837 20.868 1.00 2.66 H new ATOM 0 HZ2 LYS A 35 28.667 -16.415 20.885 1.00 2.66 H new ATOM 0 HZ3 LYS A 35 29.935 -17.438 20.407 1.00 2.66 H new ATOM 545 N LYS A 36 31.169 -18.182 14.744 1.00 0.67 N ATOM 546 CA LYS A 36 32.234 -18.673 13.889 1.00 0.82 C ATOM 547 C LYS A 36 32.997 -19.813 14.556 1.00 0.84 C ATOM 548 O LYS A 36 33.114 -19.863 15.779 1.00 0.91 O ATOM 549 CB LYS A 36 33.176 -17.536 13.450 1.00 1.09 C ATOM 550 CG LYS A 36 33.977 -16.853 14.560 1.00 1.26 C ATOM 551 CD LYS A 36 35.174 -17.684 15.002 1.00 1.36 C ATOM 552 CE LYS A 36 36.338 -16.810 15.438 1.00 2.14 C ATOM 553 NZ LYS A 36 36.963 -16.118 14.277 1.00 2.51 N ATOM 0 H LYS A 36 31.319 -17.246 15.120 1.00 0.67 H new ATOM 0 HA LYS A 36 31.774 -19.074 12.986 1.00 0.82 H new ATOM 0 HB2 LYS A 36 33.878 -17.936 12.718 1.00 1.09 H new ATOM 0 HB3 LYS A 36 32.582 -16.777 12.940 1.00 1.09 H new ATOM 0 HG2 LYS A 36 34.322 -15.880 14.210 1.00 1.26 H new ATOM 0 HG3 LYS A 36 33.327 -16.672 15.416 1.00 1.26 H new ATOM 0 HD2 LYS A 36 34.880 -18.335 15.825 1.00 1.36 H new ATOM 0 HD3 LYS A 36 35.491 -18.329 14.183 1.00 1.36 H new ATOM 0 HE2 LYS A 36 35.990 -16.071 16.159 1.00 2.14 H new ATOM 0 HE3 LYS A 36 37.085 -17.422 15.944 1.00 2.14 H new ATOM 0 HZ1 LYS A 36 37.842 -15.653 14.582 1.00 2.51 H new ATOM 0 HZ2 LYS A 36 37.179 -16.813 13.534 1.00 2.51 H new ATOM 0 HZ3 LYS A 36 36.306 -15.404 13.903 1.00 2.51 H new ATOM 567 N GLY A 37 33.509 -20.726 13.742 1.00 0.92 N ATOM 568 CA GLY A 37 34.207 -21.883 14.268 1.00 1.04 C ATOM 569 C GLY A 37 33.270 -23.046 14.514 1.00 0.96 C ATOM 570 O GLY A 37 33.709 -24.190 14.648 1.00 1.12 O ATOM 0 H GLY A 37 33.453 -20.686 12.724 1.00 0.92 H new ATOM 0 HA2 GLY A 37 34.985 -22.186 13.568 1.00 1.04 H new ATOM 0 HA3 GLY A 37 34.704 -21.614 15.200 1.00 1.04 H new ATOM 574 N ASN A 38 31.979 -22.751 14.568 1.00 0.79 N ATOM 575 CA ASN A 38 30.968 -23.771 14.794 1.00 0.75 C ATOM 576 C ASN A 38 30.559 -24.434 13.489 1.00 0.72 C ATOM 577 O ASN A 38 30.994 -24.039 12.407 1.00 0.79 O ATOM 578 CB ASN A 38 29.734 -23.179 15.472 1.00 0.75 C ATOM 579 CG ASN A 38 29.940 -22.923 16.949 1.00 0.87 C ATOM 580 OD1 ASN A 38 30.674 -23.640 17.626 1.00 1.38 O ATOM 581 ND2 ASN A 38 29.282 -21.899 17.459 1.00 0.98 N ATOM 0 H ASN A 38 31.607 -21.808 14.458 1.00 0.79 H new ATOM 0 HA ASN A 38 31.407 -24.522 15.450 1.00 0.75 H new ATOM 0 HB2 ASN A 38 29.469 -22.243 14.980 1.00 0.75 H new ATOM 0 HB3 ASN A 38 28.892 -23.858 15.340 1.00 0.75 H new ATOM 0 HD21 ASN A 38 29.372 -21.677 18.451 1.00 0.98 H new ATOM 0 HD22 ASN A 38 28.683 -21.329 16.862 1.00 0.98 H new ATOM 588 N GLU A 39 29.706 -25.433 13.602 1.00 0.71 N ATOM 589 CA GLU A 39 29.253 -26.179 12.447 1.00 0.73 C ATOM 590 C GLU A 39 27.897 -25.642 11.984 1.00 0.63 C ATOM 591 O GLU A 39 26.935 -25.618 12.756 1.00 0.69 O ATOM 592 CB GLU A 39 29.157 -27.664 12.808 1.00 0.86 C ATOM 593 CG GLU A 39 29.630 -28.601 11.708 1.00 1.37 C ATOM 594 CD GLU A 39 28.746 -28.562 10.483 1.00 1.73 C ATOM 595 OE1 GLU A 39 28.830 -27.585 9.717 1.00 2.20 O ATOM 596 OE2 GLU A 39 27.959 -29.512 10.289 1.00 2.17 O ATOM 0 H GLU A 39 29.311 -25.747 14.488 1.00 0.71 H new ATOM 0 HA GLU A 39 29.964 -26.063 11.629 1.00 0.73 H new ATOM 0 HB2 GLU A 39 29.747 -27.848 13.706 1.00 0.86 H new ATOM 0 HB3 GLU A 39 28.122 -27.901 13.053 1.00 0.86 H new ATOM 0 HG2 GLU A 39 30.648 -28.335 11.424 1.00 1.37 H new ATOM 0 HG3 GLU A 39 29.663 -29.620 12.094 1.00 1.37 H new ATOM 603 N VAL A 40 27.829 -25.193 10.734 1.00 0.60 N ATOM 604 CA VAL A 40 26.598 -24.640 10.172 1.00 0.54 C ATOM 605 C VAL A 40 26.430 -25.080 8.720 1.00 0.54 C ATOM 606 O VAL A 40 27.366 -25.588 8.104 1.00 0.67 O ATOM 607 CB VAL A 40 26.575 -23.092 10.211 1.00 0.57 C ATOM 608 CG1 VAL A 40 26.913 -22.566 11.598 1.00 0.61 C ATOM 609 CG2 VAL A 40 27.514 -22.513 9.166 1.00 0.67 C ATOM 0 H VAL A 40 28.617 -25.201 10.086 1.00 0.60 H new ATOM 0 HA VAL A 40 25.782 -25.019 10.788 1.00 0.54 H new ATOM 0 HB VAL A 40 25.561 -22.768 9.975 1.00 0.57 H new ATOM 0 HG11 VAL A 40 26.888 -21.476 11.590 1.00 0.61 H new ATOM 0 HG12 VAL A 40 26.184 -22.940 12.317 1.00 0.61 H new ATOM 0 HG13 VAL A 40 27.910 -22.904 11.882 1.00 0.61 H new ATOM 0 HG21 VAL A 40 27.482 -21.424 9.211 1.00 0.67 H new ATOM 0 HG22 VAL A 40 28.531 -22.854 9.361 1.00 0.67 H new ATOM 0 HG23 VAL A 40 27.204 -22.844 8.175 1.00 0.67 H new ATOM 619 N THR A 41 25.238 -24.880 8.184 1.00 0.46 N ATOM 620 CA THR A 41 24.962 -25.194 6.795 1.00 0.48 C ATOM 621 C THR A 41 24.205 -24.045 6.129 1.00 0.42 C ATOM 622 O THR A 41 23.091 -23.705 6.540 1.00 0.44 O ATOM 623 CB THR A 41 24.145 -26.491 6.686 1.00 0.56 C ATOM 624 OG1 THR A 41 24.773 -27.511 7.471 1.00 0.65 O ATOM 625 CG2 THR A 41 24.029 -26.954 5.239 1.00 0.63 C ATOM 0 H THR A 41 24.442 -24.499 8.695 1.00 0.46 H new ATOM 0 HA THR A 41 25.913 -25.335 6.282 1.00 0.48 H new ATOM 0 HB THR A 41 23.139 -26.297 7.058 1.00 0.56 H new ATOM 0 HG1 THR A 41 24.254 -28.340 7.406 1.00 0.65 H new ATOM 0 HG21 THR A 41 23.445 -27.874 5.197 1.00 0.63 H new ATOM 0 HG22 THR A 41 23.534 -26.183 4.649 1.00 0.63 H new ATOM 0 HG23 THR A 41 25.025 -27.137 4.835 1.00 0.63 H new ATOM 633 N VAL A 42 24.823 -23.433 5.125 1.00 0.40 N ATOM 634 CA VAL A 42 24.199 -22.337 4.388 1.00 0.42 C ATOM 635 C VAL A 42 24.390 -22.521 2.882 1.00 0.43 C ATOM 636 O VAL A 42 25.425 -23.023 2.443 1.00 0.49 O ATOM 637 CB VAL A 42 24.786 -20.964 4.802 1.00 0.46 C ATOM 638 CG1 VAL A 42 24.540 -20.672 6.274 1.00 0.80 C ATOM 639 CG2 VAL A 42 26.276 -20.906 4.513 1.00 0.87 C ATOM 0 H VAL A 42 25.759 -23.677 4.801 1.00 0.40 H new ATOM 0 HA VAL A 42 23.137 -22.355 4.631 1.00 0.42 H new ATOM 0 HB VAL A 42 24.276 -20.204 4.210 1.00 0.46 H new ATOM 0 HG11 VAL A 42 24.965 -19.701 6.528 1.00 0.80 H new ATOM 0 HG12 VAL A 42 23.468 -20.660 6.468 1.00 0.80 H new ATOM 0 HG13 VAL A 42 25.011 -21.445 6.882 1.00 0.80 H new ATOM 0 HG21 VAL A 42 26.667 -19.933 4.811 1.00 0.87 H new ATOM 0 HG22 VAL A 42 26.786 -21.690 5.073 1.00 0.87 H new ATOM 0 HG23 VAL A 42 26.446 -21.053 3.446 1.00 0.87 H new ATOM 649 N HIS A 43 23.400 -22.119 2.091 1.00 0.44 N ATOM 650 CA HIS A 43 23.506 -22.224 0.636 1.00 0.49 C ATOM 651 C HIS A 43 23.863 -20.858 0.053 1.00 0.47 C ATOM 652 O HIS A 43 23.362 -19.838 0.525 1.00 0.53 O ATOM 653 CB HIS A 43 22.194 -22.774 0.017 1.00 0.64 C ATOM 654 CG HIS A 43 21.159 -21.736 -0.358 1.00 1.16 C ATOM 655 ND1 HIS A 43 20.043 -21.453 0.407 1.00 2.00 N ATOM 656 CD2 HIS A 43 21.069 -20.932 -1.450 1.00 2.04 C ATOM 657 CE1 HIS A 43 19.324 -20.520 -0.197 1.00 2.74 C ATOM 658 NE2 HIS A 43 19.926 -20.187 -1.322 1.00 2.75 N ATOM 0 H HIS A 43 22.523 -21.721 2.427 1.00 0.44 H new ATOM 0 HA HIS A 43 24.298 -22.931 0.388 1.00 0.49 H new ATOM 0 HB2 HIS A 43 22.447 -23.347 -0.875 1.00 0.64 H new ATOM 0 HB3 HIS A 43 21.744 -23.470 0.725 1.00 0.64 H new ATOM 0 HD2 HIS A 43 21.771 -20.888 -2.270 1.00 2.04 H new ATOM 0 HE1 HIS A 43 18.399 -20.101 0.170 1.00 2.74 H new ATOM 0 HE2 HIS A 43 19.595 -19.489 -1.988 1.00 2.75 H new ATOM 667 N TYR A 44 24.732 -20.834 -0.955 1.00 0.44 N ATOM 668 CA TYR A 44 25.104 -19.574 -1.596 1.00 0.42 C ATOM 669 C TYR A 44 24.884 -19.631 -3.107 1.00 0.41 C ATOM 670 O TYR A 44 25.191 -20.633 -3.756 1.00 0.47 O ATOM 671 CB TYR A 44 26.562 -19.201 -1.274 1.00 0.46 C ATOM 672 CG TYR A 44 27.609 -20.097 -1.911 1.00 0.50 C ATOM 673 CD1 TYR A 44 28.001 -21.283 -1.302 1.00 0.52 C ATOM 674 CD2 TYR A 44 28.218 -19.746 -3.111 1.00 0.60 C ATOM 675 CE1 TYR A 44 28.960 -22.096 -1.873 1.00 0.60 C ATOM 676 CE2 TYR A 44 29.175 -20.557 -3.690 1.00 0.68 C ATOM 677 CZ TYR A 44 29.548 -21.728 -3.065 1.00 0.66 C ATOM 678 OH TYR A 44 30.501 -22.539 -3.637 1.00 0.76 O ATOM 0 H TYR A 44 25.187 -21.661 -1.342 1.00 0.44 H new ATOM 0 HA TYR A 44 24.455 -18.797 -1.192 1.00 0.42 H new ATOM 0 HB2 TYR A 44 26.739 -18.175 -1.597 1.00 0.46 H new ATOM 0 HB3 TYR A 44 26.696 -19.223 -0.193 1.00 0.46 H new ATOM 0 HD1 TYR A 44 27.548 -21.574 -0.366 1.00 0.52 H new ATOM 0 HD2 TYR A 44 27.938 -18.824 -3.599 1.00 0.60 H new ATOM 0 HE1 TYR A 44 29.249 -23.017 -1.388 1.00 0.60 H new ATOM 0 HE2 TYR A 44 29.629 -20.275 -4.628 1.00 0.68 H new ATOM 0 HH TYR A 44 30.814 -22.136 -4.474 1.00 0.76 H new ATOM 688 N VAL A 45 24.300 -18.564 -3.634 1.00 0.35 N ATOM 689 CA VAL A 45 24.107 -18.386 -5.069 1.00 0.36 C ATOM 690 C VAL A 45 23.666 -16.945 -5.321 1.00 0.30 C ATOM 691 O VAL A 45 23.131 -16.309 -4.418 1.00 0.30 O ATOM 692 CB VAL A 45 23.063 -19.382 -5.633 1.00 0.44 C ATOM 693 CG1 VAL A 45 21.674 -19.107 -5.078 1.00 0.47 C ATOM 694 CG2 VAL A 45 23.056 -19.357 -7.154 1.00 0.49 C ATOM 0 H VAL A 45 23.943 -17.790 -3.074 1.00 0.35 H new ATOM 0 HA VAL A 45 25.047 -18.588 -5.584 1.00 0.36 H new ATOM 0 HB VAL A 45 23.353 -20.382 -5.311 1.00 0.44 H new ATOM 0 HG11 VAL A 45 20.967 -19.824 -5.495 1.00 0.47 H new ATOM 0 HG12 VAL A 45 21.690 -19.203 -3.992 1.00 0.47 H new ATOM 0 HG13 VAL A 45 21.368 -18.097 -5.348 1.00 0.47 H new ATOM 0 HG21 VAL A 45 22.315 -20.065 -7.526 1.00 0.49 H new ATOM 0 HG22 VAL A 45 22.806 -18.354 -7.500 1.00 0.49 H new ATOM 0 HG23 VAL A 45 24.042 -19.634 -7.527 1.00 0.49 H new ATOM 704 N GLY A 46 23.911 -16.418 -6.512 1.00 0.31 N ATOM 705 CA GLY A 46 23.515 -15.051 -6.789 1.00 0.30 C ATOM 706 C GLY A 46 23.895 -14.588 -8.181 1.00 0.30 C ATOM 707 O GLY A 46 23.616 -15.269 -9.167 1.00 0.36 O ATOM 0 H GLY A 46 24.370 -16.904 -7.282 1.00 0.31 H new ATOM 0 HA2 GLY A 46 22.436 -14.960 -6.665 1.00 0.30 H new ATOM 0 HA3 GLY A 46 23.977 -14.390 -6.055 1.00 0.30 H new ATOM 711 N LYS A 47 24.533 -13.428 -8.261 1.00 0.27 N ATOM 712 CA LYS A 47 24.905 -12.854 -9.543 1.00 0.29 C ATOM 713 C LYS A 47 26.213 -12.076 -9.416 1.00 0.25 C ATOM 714 O LYS A 47 26.724 -11.873 -8.312 1.00 0.26 O ATOM 715 CB LYS A 47 23.791 -11.938 -10.085 1.00 0.36 C ATOM 716 CG LYS A 47 23.506 -10.727 -9.215 1.00 0.42 C ATOM 717 CD LYS A 47 22.607 -9.716 -9.916 1.00 0.66 C ATOM 718 CE LYS A 47 22.482 -8.430 -9.105 1.00 0.83 C ATOM 719 NZ LYS A 47 21.673 -7.395 -9.803 1.00 1.43 N ATOM 0 H LYS A 47 24.803 -12.868 -7.452 1.00 0.27 H new ATOM 0 HA LYS A 47 25.046 -13.671 -10.250 1.00 0.29 H new ATOM 0 HB2 LYS A 47 24.068 -11.598 -11.083 1.00 0.36 H new ATOM 0 HB3 LYS A 47 22.876 -12.520 -10.190 1.00 0.36 H new ATOM 0 HG2 LYS A 47 23.033 -11.051 -8.288 1.00 0.42 H new ATOM 0 HG3 LYS A 47 24.446 -10.248 -8.943 1.00 0.42 H new ATOM 0 HD2 LYS A 47 23.012 -9.489 -10.902 1.00 0.66 H new ATOM 0 HD3 LYS A 47 21.619 -10.150 -10.069 1.00 0.66 H new ATOM 0 HE2 LYS A 47 22.026 -8.655 -8.141 1.00 0.83 H new ATOM 0 HE3 LYS A 47 23.477 -8.034 -8.902 1.00 0.83 H new ATOM 0 HZ1 LYS A 47 21.617 -6.541 -9.212 1.00 1.43 H new ATOM 0 HZ2 LYS A 47 22.121 -7.159 -10.712 1.00 1.43 H new ATOM 0 HZ3 LYS A 47 20.715 -7.761 -9.974 1.00 1.43 H new ATOM 733 N LEU A 48 26.746 -11.658 -10.552 1.00 0.27 N ATOM 734 CA LEU A 48 27.978 -10.882 -10.600 1.00 0.26 C ATOM 735 C LEU A 48 27.652 -9.395 -10.696 1.00 0.25 C ATOM 736 O LEU A 48 27.363 -8.894 -11.781 1.00 0.27 O ATOM 737 CB LEU A 48 28.817 -11.327 -11.808 1.00 0.29 C ATOM 738 CG LEU A 48 30.135 -10.572 -12.027 1.00 0.32 C ATOM 739 CD1 LEU A 48 31.048 -10.721 -10.823 1.00 0.36 C ATOM 740 CD2 LEU A 48 30.832 -11.077 -13.282 1.00 0.38 C ATOM 0 H LEU A 48 26.338 -11.846 -11.468 1.00 0.27 H new ATOM 0 HA LEU A 48 28.551 -11.052 -9.689 1.00 0.26 H new ATOM 0 HB2 LEU A 48 29.043 -12.388 -11.697 1.00 0.29 H new ATOM 0 HB3 LEU A 48 28.208 -11.223 -12.706 1.00 0.29 H new ATOM 0 HG LEU A 48 29.905 -9.514 -12.154 1.00 0.32 H new ATOM 0 HD11 LEU A 48 31.976 -10.178 -11.001 1.00 0.36 H new ATOM 0 HD12 LEU A 48 30.554 -10.316 -9.940 1.00 0.36 H new ATOM 0 HD13 LEU A 48 31.270 -11.776 -10.663 1.00 0.36 H new ATOM 0 HD21 LEU A 48 31.765 -10.532 -13.424 1.00 0.38 H new ATOM 0 HD22 LEU A 48 31.045 -12.141 -13.177 1.00 0.38 H new ATOM 0 HD23 LEU A 48 30.185 -10.920 -14.145 1.00 0.38 H new ATOM 752 N GLU A 49 27.692 -8.699 -9.560 1.00 0.29 N ATOM 753 CA GLU A 49 27.334 -7.276 -9.511 1.00 0.36 C ATOM 754 C GLU A 49 28.370 -6.439 -10.247 1.00 0.34 C ATOM 755 O GLU A 49 28.094 -5.322 -10.686 1.00 0.41 O ATOM 756 CB GLU A 49 27.227 -6.780 -8.064 1.00 0.50 C ATOM 757 CG GLU A 49 26.388 -5.515 -7.917 1.00 0.63 C ATOM 758 CD GLU A 49 24.944 -5.714 -8.343 1.00 1.20 C ATOM 759 OE1 GLU A 49 24.710 -6.028 -9.528 1.00 1.96 O ATOM 760 OE2 GLU A 49 24.038 -5.566 -7.498 1.00 1.75 O ATOM 0 H GLU A 49 27.968 -9.094 -8.661 1.00 0.29 H new ATOM 0 HA GLU A 49 26.364 -7.167 -9.995 1.00 0.36 H new ATOM 0 HB2 GLU A 49 26.793 -7.568 -7.449 1.00 0.50 H new ATOM 0 HB3 GLU A 49 28.228 -6.590 -7.678 1.00 0.50 H new ATOM 0 HG2 GLU A 49 26.414 -5.186 -6.878 1.00 0.63 H new ATOM 0 HG3 GLU A 49 26.832 -4.719 -8.514 1.00 0.63 H new ATOM 767 N SER A 50 29.566 -6.998 -10.375 1.00 0.33 N ATOM 768 CA SER A 50 30.669 -6.338 -11.056 1.00 0.40 C ATOM 769 C SER A 50 30.286 -5.941 -12.488 1.00 0.45 C ATOM 770 O SER A 50 30.852 -5.007 -13.053 1.00 0.55 O ATOM 771 CB SER A 50 31.887 -7.265 -11.051 1.00 0.46 C ATOM 772 OG SER A 50 33.029 -6.613 -10.523 1.00 0.67 O ATOM 0 H SER A 50 29.798 -7.922 -10.009 1.00 0.33 H new ATOM 0 HA SER A 50 30.913 -5.418 -10.525 1.00 0.40 H new ATOM 0 HB2 SER A 50 31.667 -8.154 -10.460 1.00 0.46 H new ATOM 0 HB3 SER A 50 32.095 -7.601 -12.067 1.00 0.46 H new ATOM 0 HG SER A 50 33.786 -6.734 -11.134 1.00 0.67 H new ATOM 778 N THR A 51 29.324 -6.653 -13.066 1.00 0.44 N ATOM 779 CA THR A 51 28.821 -6.319 -14.392 1.00 0.53 C ATOM 780 C THR A 51 27.284 -6.318 -14.416 1.00 0.54 C ATOM 781 O THR A 51 26.662 -5.728 -15.306 1.00 0.73 O ATOM 782 CB THR A 51 29.377 -7.288 -15.462 1.00 0.59 C ATOM 783 OG1 THR A 51 28.859 -6.956 -16.754 1.00 0.72 O ATOM 784 CG2 THR A 51 29.034 -8.734 -15.132 1.00 0.53 C ATOM 0 H THR A 51 28.878 -7.464 -12.637 1.00 0.44 H new ATOM 0 HA THR A 51 29.168 -5.314 -14.630 1.00 0.53 H new ATOM 0 HB THR A 51 30.462 -7.183 -15.468 1.00 0.59 H new ATOM 0 HG1 THR A 51 28.980 -5.997 -16.918 1.00 0.72 H new ATOM 0 HG21 THR A 51 29.439 -9.389 -15.903 1.00 0.53 H new ATOM 0 HG22 THR A 51 29.466 -8.999 -14.167 1.00 0.53 H new ATOM 0 HG23 THR A 51 27.951 -8.850 -15.089 1.00 0.53 H new ATOM 792 N GLY A 52 26.673 -6.973 -13.436 1.00 0.48 N ATOM 793 CA GLY A 52 25.227 -6.983 -13.324 1.00 0.51 C ATOM 794 C GLY A 52 24.588 -8.155 -14.046 1.00 0.54 C ATOM 795 O GLY A 52 23.496 -8.027 -14.598 1.00 0.78 O ATOM 0 H GLY A 52 27.158 -7.502 -12.711 1.00 0.48 H new ATOM 0 HA2 GLY A 52 24.949 -7.016 -12.271 1.00 0.51 H new ATOM 0 HA3 GLY A 52 24.830 -6.052 -13.729 1.00 0.51 H new ATOM 799 N LYS A 53 25.262 -9.298 -14.044 1.00 0.44 N ATOM 800 CA LYS A 53 24.751 -10.486 -14.727 1.00 0.49 C ATOM 801 C LYS A 53 24.483 -11.610 -13.738 1.00 0.41 C ATOM 802 O LYS A 53 25.297 -11.879 -12.856 1.00 0.38 O ATOM 803 CB LYS A 53 25.724 -10.968 -15.813 1.00 0.60 C ATOM 804 CG LYS A 53 25.648 -10.179 -17.118 1.00 0.84 C ATOM 805 CD LYS A 53 26.125 -8.751 -16.942 1.00 1.47 C ATOM 806 CE LYS A 53 25.996 -7.951 -18.222 1.00 2.09 C ATOM 807 NZ LYS A 53 26.502 -6.565 -18.057 1.00 2.89 N ATOM 0 H LYS A 53 26.161 -9.430 -13.580 1.00 0.44 H new ATOM 0 HA LYS A 53 23.812 -10.206 -15.204 1.00 0.49 H new ATOM 0 HB2 LYS A 53 26.741 -10.910 -15.425 1.00 0.60 H new ATOM 0 HB3 LYS A 53 25.523 -12.018 -16.025 1.00 0.60 H new ATOM 0 HG2 LYS A 53 26.254 -10.673 -17.877 1.00 0.84 H new ATOM 0 HG3 LYS A 53 24.621 -10.177 -17.482 1.00 0.84 H new ATOM 0 HD2 LYS A 53 25.547 -8.270 -16.153 1.00 1.47 H new ATOM 0 HD3 LYS A 53 27.166 -8.753 -16.618 1.00 1.47 H new ATOM 0 HE2 LYS A 53 26.549 -8.448 -19.019 1.00 2.09 H new ATOM 0 HE3 LYS A 53 24.951 -7.923 -18.530 1.00 2.09 H new ATOM 0 HZ1 LYS A 53 26.305 -6.019 -18.920 1.00 2.89 H new ATOM 0 HZ2 LYS A 53 26.028 -6.116 -17.247 1.00 2.89 H new ATOM 0 HZ3 LYS A 53 27.528 -6.588 -17.888 1.00 2.89 H new ATOM 821 N VAL A 54 23.334 -12.252 -13.888 1.00 0.44 N ATOM 822 CA VAL A 54 22.944 -13.349 -13.012 1.00 0.44 C ATOM 823 C VAL A 54 23.648 -14.644 -13.416 1.00 0.46 C ATOM 824 O VAL A 54 24.080 -14.795 -14.560 1.00 0.51 O ATOM 825 CB VAL A 54 21.407 -13.549 -13.026 1.00 0.52 C ATOM 826 CG1 VAL A 54 20.931 -14.054 -14.381 1.00 0.59 C ATOM 827 CG2 VAL A 54 20.958 -14.478 -11.907 1.00 0.57 C ATOM 0 H VAL A 54 22.651 -12.031 -14.613 1.00 0.44 H new ATOM 0 HA VAL A 54 23.249 -13.090 -11.998 1.00 0.44 H new ATOM 0 HB VAL A 54 20.948 -12.576 -12.851 1.00 0.52 H new ATOM 0 HG11 VAL A 54 19.849 -14.185 -14.361 1.00 0.59 H new ATOM 0 HG12 VAL A 54 21.195 -13.330 -15.152 1.00 0.59 H new ATOM 0 HG13 VAL A 54 21.408 -15.009 -14.601 1.00 0.59 H new ATOM 0 HG21 VAL A 54 19.875 -14.597 -11.945 1.00 0.57 H new ATOM 0 HG22 VAL A 54 21.434 -15.451 -12.029 1.00 0.57 H new ATOM 0 HG23 VAL A 54 21.242 -14.052 -10.945 1.00 0.57 H new ATOM 837 N PHE A 55 23.777 -15.565 -12.467 1.00 0.48 N ATOM 838 CA PHE A 55 24.406 -16.853 -12.726 1.00 0.54 C ATOM 839 C PHE A 55 23.487 -17.757 -13.533 1.00 0.61 C ATOM 840 O PHE A 55 22.307 -17.909 -13.210 1.00 0.78 O ATOM 841 CB PHE A 55 24.768 -17.562 -11.417 1.00 0.59 C ATOM 842 CG PHE A 55 25.982 -17.016 -10.718 1.00 0.47 C ATOM 843 CD1 PHE A 55 26.454 -15.739 -10.980 1.00 0.52 C ATOM 844 CD2 PHE A 55 26.648 -17.791 -9.785 1.00 0.58 C ATOM 845 CE1 PHE A 55 27.566 -15.251 -10.325 1.00 0.46 C ATOM 846 CE2 PHE A 55 27.759 -17.310 -9.128 1.00 0.70 C ATOM 847 CZ PHE A 55 28.219 -16.037 -9.397 1.00 0.56 C ATOM 0 H PHE A 55 23.452 -15.442 -11.508 1.00 0.48 H new ATOM 0 HA PHE A 55 25.314 -16.657 -13.296 1.00 0.54 H new ATOM 0 HB2 PHE A 55 23.917 -17.499 -10.739 1.00 0.59 H new ATOM 0 HB3 PHE A 55 24.931 -18.619 -11.626 1.00 0.59 H new ATOM 0 HD1 PHE A 55 25.946 -15.120 -11.704 1.00 0.52 H new ATOM 0 HD2 PHE A 55 26.292 -18.787 -9.569 1.00 0.58 H new ATOM 0 HE1 PHE A 55 27.925 -14.255 -10.538 1.00 0.46 H new ATOM 0 HE2 PHE A 55 28.269 -17.928 -8.404 1.00 0.70 H new ATOM 0 HZ PHE A 55 29.089 -15.656 -8.882 1.00 0.56 H new ATOM 857 N ASP A 56 24.032 -18.339 -14.587 1.00 0.61 N ATOM 858 CA ASP A 56 23.324 -19.346 -15.356 1.00 0.71 C ATOM 859 C ASP A 56 24.262 -20.493 -15.693 1.00 0.70 C ATOM 860 O ASP A 56 24.956 -20.476 -16.710 1.00 0.87 O ATOM 861 CB ASP A 56 22.721 -18.760 -16.634 1.00 0.91 C ATOM 862 CG ASP A 56 22.061 -19.821 -17.495 1.00 1.59 C ATOM 863 OD1 ASP A 56 21.017 -20.373 -17.080 1.00 2.18 O ATOM 864 OD2 ASP A 56 22.573 -20.101 -18.598 1.00 2.14 O ATOM 0 H ASP A 56 24.969 -18.129 -14.931 1.00 0.61 H new ATOM 0 HA ASP A 56 22.501 -19.719 -14.746 1.00 0.71 H new ATOM 0 HB2 ASP A 56 21.986 -17.999 -16.371 1.00 0.91 H new ATOM 0 HB3 ASP A 56 23.503 -18.263 -17.208 1.00 0.91 H new ATOM 869 N SER A 57 24.315 -21.465 -14.802 1.00 0.61 N ATOM 870 CA SER A 57 25.154 -22.626 -14.990 1.00 0.67 C ATOM 871 C SER A 57 24.324 -23.891 -14.886 1.00 0.68 C ATOM 872 O SER A 57 23.348 -23.946 -14.131 1.00 0.75 O ATOM 873 CB SER A 57 26.271 -22.637 -13.946 1.00 0.75 C ATOM 874 OG SER A 57 27.031 -21.441 -14.007 1.00 1.24 O ATOM 0 H SER A 57 23.780 -21.470 -13.934 1.00 0.61 H new ATOM 0 HA SER A 57 25.602 -22.584 -15.983 1.00 0.67 H new ATOM 0 HB2 SER A 57 25.843 -22.750 -12.950 1.00 0.75 H new ATOM 0 HB3 SER A 57 26.922 -23.495 -14.113 1.00 0.75 H new ATOM 0 HG SER A 57 27.739 -21.468 -13.330 1.00 1.24 H new ATOM 880 N SER A 58 24.711 -24.903 -15.647 1.00 0.75 N ATOM 881 CA SER A 58 24.028 -26.189 -15.633 1.00 0.82 C ATOM 882 C SER A 58 24.048 -26.809 -14.234 1.00 0.70 C ATOM 883 O SER A 58 23.231 -27.667 -13.910 1.00 0.70 O ATOM 884 CB SER A 58 24.696 -27.123 -16.643 1.00 1.03 C ATOM 885 OG SER A 58 25.003 -26.424 -17.839 1.00 1.49 O ATOM 0 H SER A 58 25.503 -24.858 -16.289 1.00 0.75 H new ATOM 0 HA SER A 58 22.985 -26.038 -15.910 1.00 0.82 H new ATOM 0 HB2 SER A 58 25.607 -27.540 -16.214 1.00 1.03 H new ATOM 0 HB3 SER A 58 24.035 -27.961 -16.864 1.00 1.03 H new ATOM 0 HG SER A 58 25.431 -27.035 -18.474 1.00 1.49 H new ATOM 891 N PHE A 59 24.980 -26.355 -13.406 1.00 0.69 N ATOM 892 CA PHE A 59 25.136 -26.881 -12.060 1.00 0.70 C ATOM 893 C PHE A 59 24.333 -26.076 -11.036 1.00 0.64 C ATOM 894 O PHE A 59 23.562 -26.643 -10.266 1.00 0.67 O ATOM 895 CB PHE A 59 26.615 -26.882 -11.675 1.00 0.85 C ATOM 896 CG PHE A 59 27.484 -27.622 -12.651 1.00 1.08 C ATOM 897 CD1 PHE A 59 27.283 -28.971 -12.898 1.00 1.28 C ATOM 898 CD2 PHE A 59 28.504 -26.968 -13.322 1.00 1.39 C ATOM 899 CE1 PHE A 59 28.087 -29.653 -13.794 1.00 1.58 C ATOM 900 CE2 PHE A 59 29.309 -27.644 -14.218 1.00 1.77 C ATOM 901 CZ PHE A 59 29.099 -28.986 -14.456 1.00 1.80 C ATOM 0 H PHE A 59 25.643 -25.618 -13.647 1.00 0.69 H new ATOM 0 HA PHE A 59 24.750 -27.900 -12.054 1.00 0.70 H new ATOM 0 HB2 PHE A 59 26.964 -25.852 -11.598 1.00 0.85 H new ATOM 0 HB3 PHE A 59 26.726 -27.331 -10.688 1.00 0.85 H new ATOM 0 HD1 PHE A 59 26.490 -29.495 -12.385 1.00 1.28 H new ATOM 0 HD2 PHE A 59 28.672 -25.916 -13.142 1.00 1.39 H new ATOM 0 HE1 PHE A 59 27.923 -30.705 -13.975 1.00 1.58 H new ATOM 0 HE2 PHE A 59 30.102 -27.122 -14.732 1.00 1.77 H new ATOM 0 HZ PHE A 59 29.725 -29.515 -15.159 1.00 1.80 H new ATOM 911 N ASP A 60 24.495 -24.755 -11.046 1.00 0.66 N ATOM 912 CA ASP A 60 23.938 -23.907 -9.988 1.00 0.72 C ATOM 913 C ASP A 60 22.411 -23.867 -10.033 1.00 0.71 C ATOM 914 O ASP A 60 21.757 -23.753 -8.992 1.00 0.86 O ATOM 915 CB ASP A 60 24.503 -22.480 -10.068 1.00 0.83 C ATOM 916 CG ASP A 60 23.685 -21.561 -10.962 1.00 1.54 C ATOM 917 OD1 ASP A 60 23.896 -21.580 -12.191 1.00 1.89 O ATOM 918 OD2 ASP A 60 22.836 -20.817 -10.436 1.00 2.19 O ATOM 0 H ASP A 60 25.004 -24.248 -11.770 1.00 0.66 H new ATOM 0 HA ASP A 60 24.235 -24.352 -9.038 1.00 0.72 H new ATOM 0 HB2 ASP A 60 24.546 -22.056 -9.065 1.00 0.83 H new ATOM 0 HB3 ASP A 60 25.527 -22.522 -10.440 1.00 0.83 H new ATOM 923 N ARG A 61 21.836 -23.963 -11.228 1.00 0.68 N ATOM 924 CA ARG A 61 20.384 -23.931 -11.372 1.00 0.80 C ATOM 925 C ARG A 61 19.798 -25.318 -11.126 1.00 0.75 C ATOM 926 O ARG A 61 18.585 -25.528 -11.217 1.00 0.92 O ATOM 927 CB ARG A 61 19.975 -23.397 -12.754 1.00 0.97 C ATOM 928 CG ARG A 61 20.233 -24.351 -13.910 1.00 1.23 C ATOM 929 CD ARG A 61 19.940 -23.677 -15.242 1.00 1.65 C ATOM 930 NE ARG A 61 19.911 -24.621 -16.354 1.00 1.75 N ATOM 931 CZ ARG A 61 20.163 -24.291 -17.620 1.00 2.15 C ATOM 932 NH1 ARG A 61 20.494 -23.044 -17.941 1.00 2.58 N ATOM 933 NH2 ARG A 61 20.070 -25.209 -18.574 1.00 2.78 N ATOM 0 H ARG A 61 22.348 -24.063 -12.104 1.00 0.68 H new ATOM 0 HA ARG A 61 19.981 -23.248 -10.624 1.00 0.80 H new ATOM 0 HB2 ARG A 61 18.913 -23.153 -12.733 1.00 0.97 H new ATOM 0 HB3 ARG A 61 20.512 -22.467 -12.942 1.00 0.97 H new ATOM 0 HG2 ARG A 61 21.270 -24.685 -13.887 1.00 1.23 H new ATOM 0 HG3 ARG A 61 19.609 -25.238 -13.801 1.00 1.23 H new ATOM 0 HD2 ARG A 61 18.981 -23.163 -15.182 1.00 1.65 H new ATOM 0 HD3 ARG A 61 20.697 -22.917 -15.435 1.00 1.65 H new ATOM 0 HE ARG A 61 19.684 -25.594 -16.150 1.00 1.75 H new ATOM 0 HH11 ARG A 61 20.557 -22.330 -17.215 1.00 2.58 H new ATOM 0 HH12 ARG A 61 20.685 -22.801 -18.913 1.00 2.58 H new ATOM 0 HH21 ARG A 61 19.806 -26.165 -18.337 1.00 2.78 H new ATOM 0 HH22 ARG A 61 20.263 -24.958 -19.544 1.00 2.78 H new ATOM 947 N ASN A 62 20.679 -26.259 -10.799 1.00 0.64 N ATOM 948 CA ASN A 62 20.270 -27.615 -10.461 1.00 0.68 C ATOM 949 C ASN A 62 20.468 -27.876 -8.968 1.00 0.73 C ATOM 950 O ASN A 62 19.567 -28.374 -8.292 1.00 0.89 O ATOM 951 CB ASN A 62 21.057 -28.638 -11.292 1.00 0.71 C ATOM 952 CG ASN A 62 20.703 -30.077 -10.946 1.00 0.83 C ATOM 953 OD1 ASN A 62 21.510 -30.706 -10.101 1.00 0.93 O flip ATOM 954 ND2 ASN A 62 19.733 -30.633 -11.463 1.00 1.10 N flip ATOM 0 H ASN A 62 21.686 -26.104 -10.761 1.00 0.64 H new ATOM 0 HA ASN A 62 19.211 -27.723 -10.694 1.00 0.68 H new ATOM 0 HB2 ASN A 62 20.863 -28.466 -12.351 1.00 0.71 H new ATOM 0 HB3 ASN A 62 22.124 -28.483 -11.134 1.00 0.71 H new ATOM 0 HD21 ASN A 62 19.134 -30.118 -12.108 1.00 1.10 H new ATOM 0 HD22 ASN A 62 19.529 -31.608 -11.246 1.00 1.10 H new ATOM 961 N VAL A 63 21.648 -27.536 -8.458 1.00 0.68 N ATOM 962 CA VAL A 63 21.961 -27.738 -7.047 1.00 0.83 C ATOM 963 C VAL A 63 22.994 -26.717 -6.560 1.00 0.62 C ATOM 964 O VAL A 63 24.052 -26.545 -7.167 1.00 0.64 O ATOM 965 CB VAL A 63 22.466 -29.183 -6.779 1.00 1.16 C ATOM 966 CG1 VAL A 63 23.684 -29.508 -7.635 1.00 1.76 C ATOM 967 CG2 VAL A 63 22.761 -29.390 -5.295 1.00 2.03 C ATOM 0 H VAL A 63 22.404 -27.119 -9.001 1.00 0.68 H new ATOM 0 HA VAL A 63 21.038 -27.591 -6.486 1.00 0.83 H new ATOM 0 HB VAL A 63 21.672 -29.874 -7.062 1.00 1.16 H new ATOM 0 HG11 VAL A 63 24.015 -30.525 -7.426 1.00 1.76 H new ATOM 0 HG12 VAL A 63 23.421 -29.421 -8.689 1.00 1.76 H new ATOM 0 HG13 VAL A 63 24.488 -28.810 -7.403 1.00 1.76 H new ATOM 0 HG21 VAL A 63 23.113 -30.409 -5.133 1.00 2.03 H new ATOM 0 HG22 VAL A 63 23.529 -28.686 -4.975 1.00 2.03 H new ATOM 0 HG23 VAL A 63 21.852 -29.224 -4.717 1.00 2.03 H new ATOM 977 N PRO A 64 22.672 -25.991 -5.476 1.00 0.91 N ATOM 978 CA PRO A 64 23.599 -25.046 -4.851 1.00 1.03 C ATOM 979 C PRO A 64 24.596 -25.740 -3.917 1.00 0.81 C ATOM 980 O PRO A 64 24.380 -26.875 -3.485 1.00 0.86 O ATOM 981 CB PRO A 64 22.665 -24.135 -4.059 1.00 1.53 C ATOM 982 CG PRO A 64 21.527 -25.017 -3.671 1.00 1.76 C ATOM 983 CD PRO A 64 21.366 -26.017 -4.788 1.00 1.40 C ATOM 0 HA PRO A 64 24.218 -24.524 -5.581 1.00 1.03 H new ATOM 0 HB2 PRO A 64 23.163 -23.721 -3.183 1.00 1.53 H new ATOM 0 HB3 PRO A 64 22.327 -23.292 -4.662 1.00 1.53 H new ATOM 0 HG2 PRO A 64 21.730 -25.520 -2.725 1.00 1.76 H new ATOM 0 HG3 PRO A 64 20.615 -24.437 -3.534 1.00 1.76 H new ATOM 0 HD2 PRO A 64 21.136 -27.011 -4.405 1.00 1.40 H new ATOM 0 HD3 PRO A 64 20.554 -25.739 -5.460 1.00 1.40 H new ATOM 991 N PHE A 65 25.681 -25.049 -3.601 1.00 0.68 N ATOM 992 CA PHE A 65 26.713 -25.599 -2.730 1.00 0.53 C ATOM 993 C PHE A 65 26.604 -24.972 -1.340 1.00 0.47 C ATOM 994 O PHE A 65 26.067 -23.872 -1.192 1.00 0.54 O ATOM 995 CB PHE A 65 28.102 -25.353 -3.331 1.00 0.62 C ATOM 996 CG PHE A 65 29.162 -26.283 -2.805 1.00 0.72 C ATOM 997 CD1 PHE A 65 29.376 -27.514 -3.406 1.00 1.06 C ATOM 998 CD2 PHE A 65 29.946 -25.927 -1.719 1.00 0.71 C ATOM 999 CE1 PHE A 65 30.345 -28.374 -2.928 1.00 1.31 C ATOM 1000 CE2 PHE A 65 30.918 -26.783 -1.236 1.00 0.95 C ATOM 1001 CZ PHE A 65 31.119 -28.008 -1.843 1.00 1.24 C ATOM 0 H PHE A 65 25.871 -24.104 -3.935 1.00 0.68 H new ATOM 0 HA PHE A 65 26.569 -26.676 -2.639 1.00 0.53 H new ATOM 0 HB2 PHE A 65 28.043 -25.459 -4.414 1.00 0.62 H new ATOM 0 HB3 PHE A 65 28.400 -24.324 -3.127 1.00 0.62 H new ATOM 0 HD1 PHE A 65 28.778 -27.804 -4.258 1.00 1.06 H new ATOM 0 HD2 PHE A 65 29.796 -24.969 -1.244 1.00 0.71 H new ATOM 0 HE1 PHE A 65 30.498 -29.332 -3.402 1.00 1.31 H new ATOM 0 HE2 PHE A 65 31.519 -26.495 -0.386 1.00 0.95 H new ATOM 0 HZ PHE A 65 31.879 -28.678 -1.470 1.00 1.24 H new ATOM 1011 N LYS A 66 27.083 -25.688 -0.328 1.00 0.41 N ATOM 1012 CA LYS A 66 27.013 -25.217 1.049 1.00 0.39 C ATOM 1013 C LYS A 66 28.388 -25.281 1.712 1.00 0.38 C ATOM 1014 O LYS A 66 29.120 -26.257 1.550 1.00 0.48 O ATOM 1015 CB LYS A 66 25.980 -26.043 1.838 1.00 0.45 C ATOM 1016 CG LYS A 66 26.247 -27.548 1.861 1.00 0.60 C ATOM 1017 CD LYS A 66 27.051 -27.965 3.088 1.00 0.67 C ATOM 1018 CE LYS A 66 27.430 -29.437 3.048 1.00 0.93 C ATOM 1019 NZ LYS A 66 26.242 -30.338 2.983 1.00 1.36 N ATOM 0 H LYS A 66 27.526 -26.600 -0.437 1.00 0.41 H new ATOM 0 HA LYS A 66 26.693 -24.175 1.048 1.00 0.39 H new ATOM 0 HB2 LYS A 66 25.951 -25.677 2.864 1.00 0.45 H new ATOM 0 HB3 LYS A 66 24.993 -25.870 1.409 1.00 0.45 H new ATOM 0 HG2 LYS A 66 25.299 -28.085 1.849 1.00 0.60 H new ATOM 0 HG3 LYS A 66 26.787 -27.835 0.959 1.00 0.60 H new ATOM 0 HD2 LYS A 66 27.955 -27.360 3.152 1.00 0.67 H new ATOM 0 HD3 LYS A 66 26.469 -27.765 3.988 1.00 0.67 H new ATOM 0 HE2 LYS A 66 28.067 -29.620 2.183 1.00 0.93 H new ATOM 0 HE3 LYS A 66 28.017 -29.681 3.933 1.00 0.93 H new ATOM 0 HZ1 LYS A 66 26.554 -31.328 3.043 1.00 1.36 H new ATOM 0 HZ2 LYS A 66 25.603 -30.127 3.776 1.00 1.36 H new ATOM 0 HZ3 LYS A 66 25.741 -30.187 2.084 1.00 1.36 H new ATOM 1033 N PHE A 67 28.745 -24.231 2.439 1.00 0.39 N ATOM 1034 CA PHE A 67 30.017 -24.201 3.150 1.00 0.42 C ATOM 1035 C PHE A 67 29.786 -24.178 4.660 1.00 0.42 C ATOM 1036 O PHE A 67 28.649 -24.291 5.121 1.00 0.46 O ATOM 1037 CB PHE A 67 30.869 -23.002 2.713 1.00 0.46 C ATOM 1038 CG PHE A 67 30.195 -21.659 2.856 1.00 0.45 C ATOM 1039 CD1 PHE A 67 30.236 -20.966 4.056 1.00 0.43 C ATOM 1040 CD2 PHE A 67 29.536 -21.085 1.779 1.00 0.55 C ATOM 1041 CE1 PHE A 67 29.628 -19.730 4.181 1.00 0.46 C ATOM 1042 CE2 PHE A 67 28.924 -19.851 1.899 1.00 0.57 C ATOM 1043 CZ PHE A 67 28.971 -19.172 3.099 1.00 0.51 C ATOM 0 H PHE A 67 28.175 -23.392 2.552 1.00 0.39 H new ATOM 0 HA PHE A 67 30.565 -25.109 2.898 1.00 0.42 H new ATOM 0 HB2 PHE A 67 31.788 -22.995 3.299 1.00 0.46 H new ATOM 0 HB3 PHE A 67 31.156 -23.139 1.670 1.00 0.46 H new ATOM 0 HD1 PHE A 67 30.749 -21.396 4.903 1.00 0.43 H new ATOM 0 HD2 PHE A 67 29.500 -21.608 0.835 1.00 0.55 H new ATOM 0 HE1 PHE A 67 29.666 -19.201 5.122 1.00 0.46 H new ATOM 0 HE2 PHE A 67 28.409 -19.419 1.054 1.00 0.57 H new ATOM 0 HZ PHE A 67 28.496 -18.207 3.194 1.00 0.51 H new ATOM 1053 N HIS A 68 30.864 -24.030 5.428 1.00 0.42 N ATOM 1054 CA HIS A 68 30.782 -24.071 6.885 1.00 0.44 C ATOM 1055 C HIS A 68 31.420 -22.821 7.486 1.00 0.42 C ATOM 1056 O HIS A 68 32.261 -22.186 6.846 1.00 0.44 O ATOM 1057 CB HIS A 68 31.439 -25.341 7.451 1.00 0.53 C ATOM 1058 CG HIS A 68 30.901 -26.625 6.878 1.00 0.89 C ATOM 1059 ND1 HIS A 68 29.805 -27.284 7.385 1.00 1.68 N ATOM 1060 CD2 HIS A 68 31.322 -27.371 5.828 1.00 1.56 C ATOM 1061 CE1 HIS A 68 29.578 -28.373 6.681 1.00 1.98 C ATOM 1062 NE2 HIS A 68 30.485 -28.459 5.728 1.00 1.87 N ATOM 0 H HIS A 68 31.805 -23.881 5.064 1.00 0.42 H new ATOM 0 HA HIS A 68 29.728 -24.096 7.161 1.00 0.44 H new ATOM 0 HB2 HIS A 68 32.512 -25.295 7.264 1.00 0.53 H new ATOM 0 HB3 HIS A 68 31.304 -25.355 8.533 1.00 0.53 H new ATOM 0 HD1 HIS A 68 29.252 -26.976 8.185 1.00 1.68 H new ATOM 0 HD2 HIS A 68 32.162 -27.152 5.186 1.00 1.56 H new ATOM 0 HE1 HIS A 68 28.780 -29.080 6.855 1.00 1.98 H new ATOM 1071 N LEU A 69 30.961 -22.439 8.675 1.00 0.44 N ATOM 1072 CA LEU A 69 31.492 -21.277 9.396 1.00 0.47 C ATOM 1073 C LEU A 69 33.019 -21.331 9.509 1.00 0.49 C ATOM 1074 O LEU A 69 33.599 -22.419 9.517 1.00 0.58 O ATOM 1075 CB LEU A 69 30.887 -21.189 10.802 1.00 0.59 C ATOM 1076 CG LEU A 69 30.211 -19.857 11.164 1.00 0.71 C ATOM 1077 CD1 LEU A 69 31.086 -18.669 10.796 1.00 0.74 C ATOM 1078 CD2 LEU A 69 28.858 -19.740 10.490 1.00 0.95 C ATOM 0 H LEU A 69 30.211 -22.923 9.169 1.00 0.44 H new ATOM 0 HA LEU A 69 31.216 -20.392 8.822 1.00 0.47 H new ATOM 0 HB2 LEU A 69 30.153 -21.987 10.910 1.00 0.59 H new ATOM 0 HB3 LEU A 69 31.677 -21.382 11.528 1.00 0.59 H new ATOM 0 HG LEU A 69 30.067 -19.847 12.244 1.00 0.71 H new ATOM 0 HD11 LEU A 69 30.576 -17.744 11.066 1.00 0.74 H new ATOM 0 HD12 LEU A 69 32.032 -18.733 11.334 1.00 0.74 H new ATOM 0 HD13 LEU A 69 31.278 -18.677 9.723 1.00 0.74 H new ATOM 0 HD21 LEU A 69 28.398 -18.790 10.760 1.00 0.95 H new ATOM 0 HD22 LEU A 69 28.985 -19.787 9.408 1.00 0.95 H new ATOM 0 HD23 LEU A 69 28.217 -20.559 10.816 1.00 0.95 H new ATOM 1090 N GLU A 70 33.624 -20.136 9.593 1.00 0.59 N ATOM 1091 CA GLU A 70 35.081 -19.920 9.646 1.00 0.69 C ATOM 1092 C GLU A 70 35.856 -21.143 10.130 1.00 0.69 C ATOM 1093 O GLU A 70 35.927 -21.433 11.327 1.00 0.96 O ATOM 1094 CB GLU A 70 35.375 -18.701 10.536 1.00 0.95 C ATOM 1095 CG GLU A 70 36.807 -18.181 10.468 1.00 1.12 C ATOM 1096 CD GLU A 70 37.708 -18.771 11.534 1.00 1.47 C ATOM 1097 OE1 GLU A 70 37.594 -18.366 12.712 1.00 2.08 O ATOM 1098 OE2 GLU A 70 38.535 -19.649 11.195 1.00 1.79 O ATOM 0 H GLU A 70 33.096 -19.264 9.627 1.00 0.59 H new ATOM 0 HA GLU A 70 35.424 -19.737 8.628 1.00 0.69 H new ATOM 0 HB2 GLU A 70 34.698 -17.894 10.255 1.00 0.95 H new ATOM 0 HB3 GLU A 70 35.148 -18.962 11.570 1.00 0.95 H new ATOM 0 HG2 GLU A 70 37.222 -18.406 9.486 1.00 1.12 H new ATOM 0 HG3 GLU A 70 36.798 -17.096 10.569 1.00 1.12 H new ATOM 1105 N GLN A 71 36.393 -21.870 9.164 1.00 0.68 N ATOM 1106 CA GLN A 71 37.231 -23.031 9.418 1.00 0.86 C ATOM 1107 C GLN A 71 38.516 -22.903 8.605 1.00 0.83 C ATOM 1108 O GLN A 71 39.329 -23.826 8.541 1.00 0.96 O ATOM 1109 CB GLN A 71 36.505 -24.323 9.017 1.00 1.05 C ATOM 1110 CG GLN A 71 36.392 -24.511 7.511 1.00 0.96 C ATOM 1111 CD GLN A 71 35.460 -23.518 6.853 1.00 1.14 C ATOM 1112 OE1 GLN A 71 35.831 -22.376 6.577 1.00 1.98 O ATOM 1113 NE2 GLN A 71 34.274 -23.968 6.526 1.00 0.97 N ATOM 0 H GLN A 71 36.259 -21.669 8.173 1.00 0.68 H new ATOM 0 HA GLN A 71 37.459 -23.076 10.483 1.00 0.86 H new ATOM 0 HB2 GLN A 71 37.034 -25.175 9.443 1.00 1.05 H new ATOM 0 HB3 GLN A 71 35.505 -24.319 9.451 1.00 1.05 H new ATOM 0 HG2 GLN A 71 37.382 -24.420 7.065 1.00 0.96 H new ATOM 0 HG3 GLN A 71 36.041 -25.522 7.303 1.00 0.96 H new ATOM 0 HE21 GLN A 71 34.004 -24.920 6.773 1.00 0.97 H new ATOM 0 HE22 GLN A 71 33.621 -23.366 6.025 1.00 0.97 H new ATOM 1122 N GLY A 72 38.691 -21.738 7.992 1.00 0.72 N ATOM 1123 CA GLY A 72 39.819 -21.522 7.111 1.00 0.72 C ATOM 1124 C GLY A 72 39.441 -21.507 5.638 1.00 0.67 C ATOM 1125 O GLY A 72 40.266 -21.138 4.799 1.00 0.70 O ATOM 0 H GLY A 72 38.068 -20.937 8.091 1.00 0.72 H new ATOM 0 HA2 GLY A 72 40.294 -20.575 7.366 1.00 0.72 H new ATOM 0 HA3 GLY A 72 40.558 -22.305 7.281 1.00 0.72 H new ATOM 1129 N GLU A 73 38.205 -21.897 5.307 1.00 0.63 N ATOM 1130 CA GLU A 73 37.737 -21.807 3.925 1.00 0.62 C ATOM 1131 C GLU A 73 37.195 -20.401 3.667 1.00 0.57 C ATOM 1132 O GLU A 73 37.518 -19.767 2.660 1.00 0.66 O ATOM 1133 CB GLU A 73 36.640 -22.842 3.631 1.00 0.67 C ATOM 1134 CG GLU A 73 37.005 -24.280 3.987 1.00 0.73 C ATOM 1135 CD GLU A 73 38.213 -24.812 3.241 1.00 0.81 C ATOM 1136 OE1 GLU A 73 38.093 -25.113 2.037 1.00 0.97 O ATOM 1137 OE2 GLU A 73 39.283 -24.964 3.869 1.00 0.92 O ATOM 0 H GLU A 73 37.523 -22.271 5.967 1.00 0.63 H new ATOM 0 HA GLU A 73 38.580 -22.015 3.266 1.00 0.62 H new ATOM 0 HB2 GLU A 73 35.741 -22.564 4.181 1.00 0.67 H new ATOM 0 HB3 GLU A 73 36.392 -22.797 2.570 1.00 0.67 H new ATOM 0 HG2 GLU A 73 37.197 -24.341 5.058 1.00 0.73 H new ATOM 0 HG3 GLU A 73 36.150 -24.923 3.779 1.00 0.73 H new ATOM 1144 N VAL A 74 36.375 -19.912 4.594 1.00 0.50 N ATOM 1145 CA VAL A 74 35.836 -18.559 4.494 1.00 0.45 C ATOM 1146 C VAL A 74 36.657 -17.591 5.340 1.00 0.41 C ATOM 1147 O VAL A 74 37.012 -17.888 6.480 1.00 0.46 O ATOM 1148 CB VAL A 74 34.347 -18.491 4.906 1.00 0.50 C ATOM 1149 CG1 VAL A 74 33.485 -19.250 3.912 1.00 0.58 C ATOM 1150 CG2 VAL A 74 34.141 -19.035 6.312 1.00 0.55 C ATOM 0 H VAL A 74 36.071 -20.429 5.419 1.00 0.50 H new ATOM 0 HA VAL A 74 35.901 -18.267 3.446 1.00 0.45 H new ATOM 0 HB VAL A 74 34.045 -17.444 4.902 1.00 0.50 H new ATOM 0 HG11 VAL A 74 32.440 -19.192 4.217 1.00 0.58 H new ATOM 0 HG12 VAL A 74 33.599 -18.810 2.921 1.00 0.58 H new ATOM 0 HG13 VAL A 74 33.797 -20.294 3.883 1.00 0.58 H new ATOM 0 HG21 VAL A 74 33.085 -18.974 6.574 1.00 0.55 H new ATOM 0 HG22 VAL A 74 34.466 -20.075 6.351 1.00 0.55 H new ATOM 0 HG23 VAL A 74 34.725 -18.446 7.019 1.00 0.55 H new ATOM 1160 N ILE A 75 36.986 -16.446 4.760 1.00 0.38 N ATOM 1161 CA ILE A 75 37.842 -15.473 5.427 1.00 0.40 C ATOM 1162 C ILE A 75 37.043 -14.376 6.127 1.00 0.39 C ATOM 1163 O ILE A 75 37.011 -14.320 7.356 1.00 0.47 O ATOM 1164 CB ILE A 75 38.889 -14.832 4.478 1.00 0.45 C ATOM 1165 CG1 ILE A 75 38.292 -14.528 3.090 1.00 0.46 C ATOM 1166 CG2 ILE A 75 40.112 -15.731 4.365 1.00 0.53 C ATOM 1167 CD1 ILE A 75 38.267 -15.711 2.137 1.00 0.62 C ATOM 0 H ILE A 75 36.674 -16.167 3.830 1.00 0.38 H new ATOM 0 HA ILE A 75 38.380 -16.046 6.182 1.00 0.40 H new ATOM 0 HB ILE A 75 39.195 -13.878 4.908 1.00 0.45 H new ATOM 0 HG12 ILE A 75 37.274 -14.162 3.220 1.00 0.46 H new ATOM 0 HG13 ILE A 75 38.865 -13.722 2.632 1.00 0.46 H new ATOM 0 HG21 ILE A 75 40.841 -15.272 3.697 1.00 0.53 H new ATOM 0 HG22 ILE A 75 40.558 -15.865 5.351 1.00 0.53 H new ATOM 0 HG23 ILE A 75 39.815 -16.701 3.966 1.00 0.53 H new ATOM 0 HD11 ILE A 75 37.831 -15.403 1.187 1.00 0.62 H new ATOM 0 HD12 ILE A 75 39.284 -16.066 1.971 1.00 0.62 H new ATOM 0 HD13 ILE A 75 37.668 -16.513 2.568 1.00 0.62 H new ATOM 1179 N LYS A 76 36.403 -13.499 5.358 1.00 0.33 N ATOM 1180 CA LYS A 76 35.723 -12.341 5.941 1.00 0.35 C ATOM 1181 C LYS A 76 34.396 -12.032 5.251 1.00 0.29 C ATOM 1182 O LYS A 76 33.394 -11.795 5.926 1.00 0.31 O ATOM 1183 CB LYS A 76 36.635 -11.108 5.893 1.00 0.48 C ATOM 1184 CG LYS A 76 37.812 -11.171 6.861 1.00 0.62 C ATOM 1185 CD LYS A 76 37.501 -10.521 8.207 1.00 0.98 C ATOM 1186 CE LYS A 76 36.334 -11.180 8.937 1.00 1.18 C ATOM 1187 NZ LYS A 76 36.637 -12.564 9.387 1.00 2.04 N ATOM 0 H LYS A 76 36.340 -13.564 4.342 1.00 0.33 H new ATOM 0 HA LYS A 76 35.500 -12.594 6.977 1.00 0.35 H new ATOM 0 HB2 LYS A 76 37.017 -10.990 4.879 1.00 0.48 H new ATOM 0 HB3 LYS A 76 36.042 -10.221 6.115 1.00 0.48 H new ATOM 0 HG2 LYS A 76 38.091 -12.213 7.021 1.00 0.62 H new ATOM 0 HG3 LYS A 76 38.673 -10.675 6.413 1.00 0.62 H new ATOM 0 HD2 LYS A 76 38.388 -10.566 8.839 1.00 0.98 H new ATOM 0 HD3 LYS A 76 37.274 -9.466 8.050 1.00 0.98 H new ATOM 0 HE2 LYS A 76 36.065 -10.574 9.802 1.00 1.18 H new ATOM 0 HE3 LYS A 76 35.466 -11.200 8.279 1.00 1.18 H new ATOM 0 HZ1 LYS A 76 35.848 -12.922 9.962 1.00 2.04 H new ATOM 0 HZ2 LYS A 76 36.767 -13.178 8.558 1.00 2.04 H new ATOM 0 HZ3 LYS A 76 37.507 -12.561 9.956 1.00 2.04 H new ATOM 1201 N GLY A 77 34.389 -12.039 3.919 1.00 0.29 N ATOM 1202 CA GLY A 77 33.193 -11.662 3.173 1.00 0.30 C ATOM 1203 C GLY A 77 31.957 -12.434 3.603 1.00 0.27 C ATOM 1204 O GLY A 77 30.933 -11.843 3.936 1.00 0.32 O ATOM 0 H GLY A 77 35.189 -12.298 3.341 1.00 0.29 H new ATOM 0 HA2 GLY A 77 33.012 -10.595 3.303 1.00 0.30 H new ATOM 0 HA3 GLY A 77 33.367 -11.829 2.110 1.00 0.30 H new ATOM 1208 N TRP A 78 32.057 -13.752 3.605 1.00 0.24 N ATOM 1209 CA TRP A 78 30.959 -14.599 4.049 1.00 0.26 C ATOM 1210 C TRP A 78 30.864 -14.607 5.573 1.00 0.29 C ATOM 1211 O TRP A 78 29.774 -14.714 6.138 1.00 0.30 O ATOM 1212 CB TRP A 78 31.147 -16.023 3.524 1.00 0.28 C ATOM 1213 CG TRP A 78 31.246 -16.091 2.029 1.00 0.29 C ATOM 1214 CD1 TRP A 78 30.208 -16.140 1.142 1.00 0.32 C ATOM 1215 CD2 TRP A 78 32.448 -16.097 1.246 1.00 0.34 C ATOM 1216 NE1 TRP A 78 30.690 -16.184 -0.144 1.00 0.36 N ATOM 1217 CE2 TRP A 78 32.061 -16.157 -0.108 1.00 0.37 C ATOM 1218 CE3 TRP A 78 33.812 -16.059 1.555 1.00 0.40 C ATOM 1219 CZ2 TRP A 78 32.986 -16.183 -1.146 1.00 0.43 C ATOM 1220 CZ3 TRP A 78 34.730 -16.084 0.522 1.00 0.48 C ATOM 1221 CH2 TRP A 78 34.315 -16.143 -0.814 1.00 0.49 C ATOM 0 H TRP A 78 32.888 -14.261 3.304 1.00 0.24 H new ATOM 0 HA TRP A 78 30.029 -14.194 3.650 1.00 0.26 H new ATOM 0 HB2 TRP A 78 32.050 -16.449 3.962 1.00 0.28 H new ATOM 0 HB3 TRP A 78 30.311 -16.639 3.855 1.00 0.28 H new ATOM 0 HD1 TRP A 78 29.162 -16.144 1.412 1.00 0.32 H new ATOM 0 HE1 TRP A 78 30.120 -16.229 -0.989 1.00 0.36 H new ATOM 0 HE3 TRP A 78 34.142 -16.011 2.582 1.00 0.40 H new ATOM 0 HZ2 TRP A 78 32.668 -16.233 -2.177 1.00 0.43 H new ATOM 0 HZ3 TRP A 78 35.785 -16.058 0.749 1.00 0.48 H new ATOM 0 HH2 TRP A 78 35.057 -16.157 -1.599 1.00 0.49 H new ATOM 1232 N ASP A 79 32.018 -14.457 6.219 1.00 0.35 N ATOM 1233 CA ASP A 79 32.146 -14.590 7.672 1.00 0.42 C ATOM 1234 C ASP A 79 31.235 -13.614 8.412 1.00 0.43 C ATOM 1235 O ASP A 79 30.484 -14.017 9.304 1.00 0.47 O ATOM 1236 CB ASP A 79 33.605 -14.362 8.081 1.00 0.52 C ATOM 1237 CG ASP A 79 33.845 -14.531 9.572 1.00 0.76 C ATOM 1238 OD1 ASP A 79 33.586 -15.627 10.097 1.00 1.14 O ATOM 1239 OD2 ASP A 79 34.339 -13.570 10.208 1.00 0.90 O ATOM 0 H ASP A 79 32.896 -14.239 5.749 1.00 0.35 H new ATOM 0 HA ASP A 79 31.838 -15.599 7.948 1.00 0.42 H new ATOM 0 HB2 ASP A 79 34.241 -15.060 7.536 1.00 0.52 H new ATOM 0 HB3 ASP A 79 33.906 -13.358 7.783 1.00 0.52 H new ATOM 1244 N ILE A 80 31.281 -12.340 8.014 1.00 0.45 N ATOM 1245 CA ILE A 80 30.468 -11.298 8.652 1.00 0.52 C ATOM 1246 C ILE A 80 28.976 -11.617 8.536 1.00 0.47 C ATOM 1247 O ILE A 80 28.178 -11.246 9.395 1.00 0.56 O ATOM 1248 CB ILE A 80 30.762 -9.877 8.073 1.00 0.63 C ATOM 1249 CG1 ILE A 80 31.913 -9.200 8.830 1.00 0.75 C ATOM 1250 CG2 ILE A 80 29.526 -8.983 8.105 1.00 0.78 C ATOM 1251 CD1 ILE A 80 33.193 -9.991 8.811 1.00 0.70 C ATOM 0 H ILE A 80 31.872 -12.004 7.253 1.00 0.45 H new ATOM 0 HA ILE A 80 30.747 -11.287 9.706 1.00 0.52 H new ATOM 0 HB ILE A 80 31.054 -10.015 7.032 1.00 0.63 H new ATOM 0 HG12 ILE A 80 32.096 -8.218 8.394 1.00 0.75 H new ATOM 0 HG13 ILE A 80 31.611 -9.038 9.865 1.00 0.75 H new ATOM 0 HG21 ILE A 80 29.774 -8.005 7.694 1.00 0.78 H new ATOM 0 HG22 ILE A 80 28.733 -9.437 7.510 1.00 0.78 H new ATOM 0 HG23 ILE A 80 29.186 -8.868 9.134 1.00 0.78 H new ATOM 0 HD11 ILE A 80 33.962 -9.452 9.365 1.00 0.70 H new ATOM 0 HD12 ILE A 80 33.027 -10.964 9.274 1.00 0.70 H new ATOM 0 HD13 ILE A 80 33.519 -10.131 7.780 1.00 0.70 H new ATOM 1263 N CYS A 81 28.588 -12.280 7.467 1.00 0.38 N ATOM 1264 CA CYS A 81 27.205 -12.670 7.312 1.00 0.40 C ATOM 1265 C CYS A 81 26.885 -13.880 8.183 1.00 0.35 C ATOM 1266 O CYS A 81 26.030 -13.805 9.062 1.00 0.42 O ATOM 1267 CB CYS A 81 26.881 -12.971 5.854 1.00 0.44 C ATOM 1268 SG CYS A 81 25.111 -13.093 5.518 1.00 0.55 S ATOM 0 H CYS A 81 29.203 -12.557 6.702 1.00 0.38 H new ATOM 0 HA CYS A 81 26.585 -11.834 7.635 1.00 0.40 H new ATOM 0 HB2 CYS A 81 27.309 -12.189 5.226 1.00 0.44 H new ATOM 0 HB3 CYS A 81 27.362 -13.907 5.569 1.00 0.44 H new ATOM 0 HG CYS A 81 24.501 -12.062 6.024 1.00 0.55 H new ATOM 1274 N VAL A 82 27.616 -14.971 7.968 1.00 0.30 N ATOM 1275 CA VAL A 82 27.288 -16.255 8.585 1.00 0.34 C ATOM 1276 C VAL A 82 27.353 -16.212 10.116 1.00 0.39 C ATOM 1277 O VAL A 82 26.584 -16.894 10.788 1.00 0.48 O ATOM 1278 CB VAL A 82 28.185 -17.398 8.057 1.00 0.36 C ATOM 1279 CG1 VAL A 82 27.834 -17.718 6.616 1.00 0.84 C ATOM 1280 CG2 VAL A 82 29.657 -17.049 8.170 1.00 0.73 C ATOM 0 H VAL A 82 28.442 -14.992 7.370 1.00 0.30 H new ATOM 0 HA VAL A 82 26.256 -16.458 8.299 1.00 0.34 H new ATOM 0 HB VAL A 82 28.001 -18.277 8.675 1.00 0.36 H new ATOM 0 HG11 VAL A 82 28.473 -18.525 6.256 1.00 0.84 H new ATOM 0 HG12 VAL A 82 26.791 -18.027 6.556 1.00 0.84 H new ATOM 0 HG13 VAL A 82 27.986 -16.832 5.999 1.00 0.84 H new ATOM 0 HG21 VAL A 82 30.257 -17.876 7.790 1.00 0.73 H new ATOM 0 HG22 VAL A 82 29.864 -16.152 7.587 1.00 0.73 H new ATOM 0 HG23 VAL A 82 29.909 -16.869 9.215 1.00 0.73 H new ATOM 1290 N SER A 83 28.265 -15.417 10.667 1.00 0.39 N ATOM 1291 CA SER A 83 28.414 -15.333 12.118 1.00 0.49 C ATOM 1292 C SER A 83 27.557 -14.199 12.693 1.00 0.48 C ATOM 1293 O SER A 83 27.608 -13.907 13.888 1.00 0.60 O ATOM 1294 CB SER A 83 29.891 -15.142 12.499 1.00 0.63 C ATOM 1295 OG SER A 83 30.095 -15.324 13.895 1.00 1.43 O ATOM 0 H SER A 83 28.907 -14.827 10.138 1.00 0.39 H new ATOM 0 HA SER A 83 28.065 -16.271 12.549 1.00 0.49 H new ATOM 0 HB2 SER A 83 30.506 -15.851 11.945 1.00 0.63 H new ATOM 0 HB3 SER A 83 30.217 -14.143 12.209 1.00 0.63 H new ATOM 0 HG SER A 83 29.351 -14.922 14.390 1.00 1.43 H new ATOM 1301 N SER A 84 26.754 -13.573 11.841 1.00 0.50 N ATOM 1302 CA SER A 84 25.920 -12.455 12.254 1.00 0.53 C ATOM 1303 C SER A 84 24.524 -12.582 11.633 1.00 0.51 C ATOM 1304 O SER A 84 23.852 -11.586 11.364 1.00 0.64 O ATOM 1305 CB SER A 84 26.594 -11.138 11.839 1.00 0.69 C ATOM 1306 OG SER A 84 25.884 -9.998 12.301 1.00 1.23 O ATOM 0 H SER A 84 26.664 -13.823 10.856 1.00 0.50 H new ATOM 0 HA SER A 84 25.805 -12.461 13.338 1.00 0.53 H new ATOM 0 HB2 SER A 84 27.610 -11.114 12.232 1.00 0.69 H new ATOM 0 HB3 SER A 84 26.671 -11.099 10.752 1.00 0.69 H new ATOM 0 HG SER A 84 24.928 -10.112 12.118 1.00 1.23 H new ATOM 1312 N MET A 85 24.097 -13.821 11.408 1.00 0.46 N ATOM 1313 CA MET A 85 22.747 -14.104 10.920 1.00 0.49 C ATOM 1314 C MET A 85 21.892 -14.684 12.035 1.00 0.49 C ATOM 1315 O MET A 85 22.299 -14.703 13.193 1.00 0.74 O ATOM 1316 CB MET A 85 22.761 -15.100 9.759 1.00 0.54 C ATOM 1317 CG MET A 85 23.154 -14.506 8.423 1.00 0.63 C ATOM 1318 SD MET A 85 23.017 -15.708 7.089 1.00 1.05 S ATOM 1319 CE MET A 85 24.001 -17.053 7.748 1.00 2.27 C ATOM 0 H MET A 85 24.670 -14.652 11.557 1.00 0.46 H new ATOM 0 HA MET A 85 22.331 -13.158 10.573 1.00 0.49 H new ATOM 0 HB2 MET A 85 23.452 -15.908 9.999 1.00 0.54 H new ATOM 0 HB3 MET A 85 21.770 -15.544 9.667 1.00 0.54 H new ATOM 0 HG2 MET A 85 22.518 -13.648 8.206 1.00 0.63 H new ATOM 0 HG3 MET A 85 24.179 -14.138 8.476 1.00 0.63 H new ATOM 0 HE1 MET A 85 23.567 -18.005 7.442 1.00 2.27 H new ATOM 0 HE2 MET A 85 25.019 -16.979 7.367 1.00 2.27 H new ATOM 0 HE3 MET A 85 24.016 -16.994 8.836 1.00 2.27 H new ATOM 1329 N ARG A 86 20.697 -15.133 11.679 1.00 0.45 N ATOM 1330 CA ARG A 86 19.854 -15.884 12.596 1.00 0.46 C ATOM 1331 C ARG A 86 19.187 -17.043 11.868 1.00 0.49 C ATOM 1332 O ARG A 86 19.248 -17.127 10.646 1.00 0.57 O ATOM 1333 CB ARG A 86 18.798 -14.991 13.251 1.00 0.49 C ATOM 1334 CG ARG A 86 19.364 -14.056 14.304 1.00 0.96 C ATOM 1335 CD ARG A 86 18.336 -13.758 15.375 1.00 1.24 C ATOM 1336 NE ARG A 86 17.942 -14.972 16.084 1.00 2.20 N ATOM 1337 CZ ARG A 86 16.721 -15.499 16.040 1.00 3.10 C ATOM 1338 NH1 ARG A 86 15.777 -14.929 15.303 1.00 3.34 N ATOM 1339 NH2 ARG A 86 16.441 -16.590 16.734 1.00 4.19 N ATOM 0 H ARG A 86 20.288 -14.989 10.756 1.00 0.45 H new ATOM 0 HA ARG A 86 20.492 -16.278 13.387 1.00 0.46 H new ATOM 0 HB2 ARG A 86 18.304 -14.400 12.480 1.00 0.49 H new ATOM 0 HB3 ARG A 86 18.034 -15.620 13.708 1.00 0.49 H new ATOM 0 HG2 ARG A 86 20.247 -14.506 14.758 1.00 0.96 H new ATOM 0 HG3 ARG A 86 19.685 -13.126 13.835 1.00 0.96 H new ATOM 0 HD2 ARG A 86 18.744 -13.037 16.083 1.00 1.24 H new ATOM 0 HD3 ARG A 86 17.458 -13.298 14.922 1.00 1.24 H new ATOM 0 HE ARG A 86 18.647 -15.446 16.649 1.00 2.20 H new ATOM 0 HH11 ARG A 86 15.987 -14.086 14.769 1.00 3.34 H new ATOM 0 HH12 ARG A 86 14.841 -15.334 15.270 1.00 3.34 H new ATOM 0 HH21 ARG A 86 17.162 -17.030 17.305 1.00 4.19 H new ATOM 0 HH22 ARG A 86 15.504 -16.991 16.698 1.00 4.19 H new ATOM 1353 N LYS A 87 18.540 -17.923 12.629 1.00 0.51 N ATOM 1354 CA LYS A 87 17.911 -19.128 12.073 1.00 0.59 C ATOM 1355 C LYS A 87 16.767 -18.777 11.114 1.00 0.59 C ATOM 1356 O LYS A 87 16.367 -19.592 10.280 1.00 0.74 O ATOM 1357 CB LYS A 87 17.390 -20.009 13.215 1.00 0.68 C ATOM 1358 CG LYS A 87 16.897 -21.377 12.769 1.00 0.84 C ATOM 1359 CD LYS A 87 16.304 -22.158 13.928 1.00 1.03 C ATOM 1360 CE LYS A 87 15.829 -23.536 13.495 1.00 1.26 C ATOM 1361 NZ LYS A 87 15.110 -24.246 14.589 1.00 1.94 N ATOM 0 H LYS A 87 18.435 -17.827 13.639 1.00 0.51 H new ATOM 0 HA LYS A 87 18.664 -19.672 11.503 1.00 0.59 H new ATOM 0 HB2 LYS A 87 18.185 -20.143 13.948 1.00 0.68 H new ATOM 0 HB3 LYS A 87 16.576 -19.488 13.719 1.00 0.68 H new ATOM 0 HG2 LYS A 87 16.147 -21.258 11.987 1.00 0.84 H new ATOM 0 HG3 LYS A 87 17.724 -21.939 12.335 1.00 0.84 H new ATOM 0 HD2 LYS A 87 17.050 -22.262 14.716 1.00 1.03 H new ATOM 0 HD3 LYS A 87 15.468 -21.602 14.351 1.00 1.03 H new ATOM 0 HE2 LYS A 87 15.171 -23.438 12.632 1.00 1.26 H new ATOM 0 HE3 LYS A 87 16.685 -24.131 13.177 1.00 1.26 H new ATOM 0 HZ1 LYS A 87 14.803 -25.181 14.253 1.00 1.94 H new ATOM 0 HZ2 LYS A 87 15.746 -24.363 15.404 1.00 1.94 H new ATOM 0 HZ3 LYS A 87 14.278 -23.691 14.875 1.00 1.94 H new ATOM 1375 N ASN A 88 16.242 -17.566 11.242 1.00 0.55 N ATOM 1376 CA ASN A 88 15.164 -17.101 10.374 1.00 0.66 C ATOM 1377 C ASN A 88 15.516 -15.767 9.729 1.00 0.60 C ATOM 1378 O ASN A 88 14.646 -15.081 9.203 1.00 0.71 O ATOM 1379 CB ASN A 88 13.850 -16.969 11.153 1.00 0.79 C ATOM 1380 CG ASN A 88 13.057 -18.264 11.178 1.00 0.96 C ATOM 1381 OD1 ASN A 88 12.237 -18.514 10.296 1.00 1.23 O ATOM 1382 ND2 ASN A 88 13.279 -19.089 12.192 1.00 1.20 N ATOM 0 H ASN A 88 16.544 -16.886 11.939 1.00 0.55 H new ATOM 0 HA ASN A 88 15.034 -17.845 9.588 1.00 0.66 H new ATOM 0 HB2 ASN A 88 14.067 -16.660 12.175 1.00 0.79 H new ATOM 0 HB3 ASN A 88 13.242 -16.183 10.704 1.00 0.79 H new ATOM 0 HD21 ASN A 88 12.761 -19.965 12.259 1.00 1.20 H new ATOM 0 HD22 ASN A 88 13.967 -18.847 12.905 1.00 1.20 H new ATOM 1389 N GLU A 89 16.794 -15.410 9.753 1.00 0.50 N ATOM 1390 CA GLU A 89 17.244 -14.144 9.187 1.00 0.46 C ATOM 1391 C GLU A 89 18.064 -14.403 7.926 1.00 0.47 C ATOM 1392 O GLU A 89 18.652 -15.474 7.774 1.00 0.65 O ATOM 1393 CB GLU A 89 18.051 -13.365 10.233 1.00 0.50 C ATOM 1394 CG GLU A 89 18.422 -11.953 9.815 1.00 0.48 C ATOM 1395 CD GLU A 89 19.890 -11.810 9.476 1.00 1.01 C ATOM 1396 OE1 GLU A 89 20.729 -11.880 10.397 1.00 1.38 O ATOM 1397 OE2 GLU A 89 20.202 -11.644 8.282 1.00 1.60 O ATOM 0 H GLU A 89 17.537 -15.979 10.158 1.00 0.50 H new ATOM 0 HA GLU A 89 16.382 -13.538 8.908 1.00 0.46 H new ATOM 0 HB2 GLU A 89 17.475 -13.318 11.157 1.00 0.50 H new ATOM 0 HB3 GLU A 89 18.964 -13.917 10.455 1.00 0.50 H new ATOM 0 HG2 GLU A 89 17.824 -11.666 8.950 1.00 0.48 H new ATOM 0 HG3 GLU A 89 18.170 -11.262 10.620 1.00 0.48 H new ATOM 1404 N LYS A 90 18.090 -13.434 7.024 1.00 0.39 N ATOM 1405 CA LYS A 90 18.724 -13.615 5.731 1.00 0.40 C ATOM 1406 C LYS A 90 19.076 -12.266 5.114 1.00 0.39 C ATOM 1407 O LYS A 90 18.200 -11.412 4.931 1.00 0.47 O ATOM 1408 CB LYS A 90 17.786 -14.396 4.810 1.00 0.50 C ATOM 1409 CG LYS A 90 18.297 -14.554 3.390 1.00 0.56 C ATOM 1410 CD LYS A 90 17.363 -15.420 2.564 1.00 0.93 C ATOM 1411 CE LYS A 90 17.815 -15.502 1.118 1.00 0.85 C ATOM 1412 NZ LYS A 90 17.063 -16.540 0.366 1.00 1.17 N ATOM 0 H LYS A 90 17.677 -12.512 7.166 1.00 0.39 H new ATOM 0 HA LYS A 90 19.648 -14.178 5.862 1.00 0.40 H new ATOM 0 HB2 LYS A 90 17.618 -15.385 5.236 1.00 0.50 H new ATOM 0 HB3 LYS A 90 16.820 -13.892 4.782 1.00 0.50 H new ATOM 0 HG2 LYS A 90 18.395 -13.573 2.925 1.00 0.56 H new ATOM 0 HG3 LYS A 90 19.292 -15.000 3.406 1.00 0.56 H new ATOM 0 HD2 LYS A 90 17.321 -16.422 2.991 1.00 0.93 H new ATOM 0 HD3 LYS A 90 16.353 -15.013 2.608 1.00 0.93 H new ATOM 0 HE2 LYS A 90 17.677 -14.533 0.638 1.00 0.85 H new ATOM 0 HE3 LYS A 90 18.881 -15.727 1.082 1.00 0.85 H new ATOM 0 HZ1 LYS A 90 17.488 -16.663 -0.575 1.00 1.17 H new ATOM 0 HZ2 LYS A 90 17.103 -17.441 0.884 1.00 1.17 H new ATOM 0 HZ3 LYS A 90 16.071 -16.244 0.263 1.00 1.17 H new ATOM 1426 N CYS A 91 20.346 -12.078 4.794 1.00 0.35 N ATOM 1427 CA CYS A 91 20.794 -10.845 4.174 1.00 0.38 C ATOM 1428 C CYS A 91 21.766 -11.118 3.028 1.00 0.32 C ATOM 1429 O CYS A 91 22.364 -12.192 2.951 1.00 0.37 O ATOM 1430 CB CYS A 91 21.427 -9.924 5.222 1.00 0.48 C ATOM 1431 SG CYS A 91 22.438 -10.775 6.455 1.00 1.20 S ATOM 0 H CYS A 91 21.084 -12.764 4.954 1.00 0.35 H new ATOM 0 HA CYS A 91 19.924 -10.343 3.750 1.00 0.38 H new ATOM 0 HB2 CYS A 91 22.044 -9.185 4.712 1.00 0.48 H new ATOM 0 HB3 CYS A 91 20.634 -9.379 5.734 1.00 0.48 H new ATOM 0 HG CYS A 91 21.696 -11.108 7.470 1.00 1.20 H new ATOM 1437 N LEU A 92 21.903 -10.142 2.129 1.00 0.31 N ATOM 1438 CA LEU A 92 22.755 -10.288 0.951 1.00 0.32 C ATOM 1439 C LEU A 92 24.044 -9.495 1.113 1.00 0.28 C ATOM 1440 O LEU A 92 24.019 -8.294 1.387 1.00 0.39 O ATOM 1441 CB LEU A 92 22.014 -9.823 -0.308 1.00 0.40 C ATOM 1442 CG LEU A 92 20.758 -10.627 -0.663 1.00 0.79 C ATOM 1443 CD1 LEU A 92 20.063 -10.017 -1.870 1.00 1.39 C ATOM 1444 CD2 LEU A 92 21.110 -12.085 -0.933 1.00 1.73 C ATOM 0 H LEU A 92 21.432 -9.240 2.196 1.00 0.31 H new ATOM 0 HA LEU A 92 23.006 -11.344 0.847 1.00 0.32 H new ATOM 0 HB2 LEU A 92 21.732 -8.778 -0.179 1.00 0.40 H new ATOM 0 HB3 LEU A 92 22.703 -9.865 -1.152 1.00 0.40 H new ATOM 0 HG LEU A 92 20.076 -10.591 0.187 1.00 0.79 H new ATOM 0 HD11 LEU A 92 19.173 -10.599 -2.110 1.00 1.39 H new ATOM 0 HD12 LEU A 92 19.775 -8.990 -1.644 1.00 1.39 H new ATOM 0 HD13 LEU A 92 20.742 -10.024 -2.723 1.00 1.39 H new ATOM 0 HD21 LEU A 92 20.204 -12.638 -1.183 1.00 1.73 H new ATOM 0 HD22 LEU A 92 21.811 -12.142 -1.766 1.00 1.73 H new ATOM 0 HD23 LEU A 92 21.567 -12.520 -0.044 1.00 1.73 H new ATOM 1456 N VAL A 93 25.163 -10.166 0.920 1.00 0.25 N ATOM 1457 CA VAL A 93 26.471 -9.559 1.133 1.00 0.25 C ATOM 1458 C VAL A 93 27.155 -9.250 -0.198 1.00 0.23 C ATOM 1459 O VAL A 93 26.903 -9.917 -1.202 1.00 0.26 O ATOM 1460 CB VAL A 93 27.369 -10.500 1.961 1.00 0.34 C ATOM 1461 CG1 VAL A 93 28.696 -9.848 2.311 1.00 0.74 C ATOM 1462 CG2 VAL A 93 26.648 -10.938 3.218 1.00 0.60 C ATOM 0 H VAL A 93 25.196 -11.138 0.614 1.00 0.25 H new ATOM 0 HA VAL A 93 26.321 -8.626 1.676 1.00 0.25 H new ATOM 0 HB VAL A 93 27.585 -11.376 1.349 1.00 0.34 H new ATOM 0 HG11 VAL A 93 29.300 -10.543 2.894 1.00 0.74 H new ATOM 0 HG12 VAL A 93 29.226 -9.587 1.395 1.00 0.74 H new ATOM 0 HG13 VAL A 93 28.515 -8.946 2.895 1.00 0.74 H new ATOM 0 HG21 VAL A 93 27.292 -11.602 3.794 1.00 0.60 H new ATOM 0 HG22 VAL A 93 26.399 -10.063 3.818 1.00 0.60 H new ATOM 0 HG23 VAL A 93 25.733 -11.465 2.948 1.00 0.60 H new ATOM 1472 N ARG A 94 28.000 -8.226 -0.208 1.00 0.25 N ATOM 1473 CA ARG A 94 28.809 -7.919 -1.376 1.00 0.30 C ATOM 1474 C ARG A 94 30.253 -8.318 -1.111 1.00 0.33 C ATOM 1475 O ARG A 94 30.926 -7.715 -0.275 1.00 0.38 O ATOM 1476 CB ARG A 94 28.737 -6.428 -1.713 1.00 0.40 C ATOM 1477 CG ARG A 94 28.232 -6.147 -3.119 1.00 0.92 C ATOM 1478 CD ARG A 94 26.736 -6.383 -3.229 1.00 0.65 C ATOM 1479 NE ARG A 94 25.959 -5.252 -2.720 1.00 0.89 N ATOM 1480 CZ ARG A 94 24.999 -5.354 -1.805 1.00 1.05 C ATOM 1481 NH1 ARG A 94 24.721 -6.530 -1.247 1.00 1.71 N ATOM 1482 NH2 ARG A 94 24.314 -4.278 -1.447 1.00 1.58 N ATOM 0 H ARG A 94 28.141 -7.595 0.581 1.00 0.25 H new ATOM 0 HA ARG A 94 28.421 -8.481 -2.226 1.00 0.30 H new ATOM 0 HB2 ARG A 94 28.083 -5.933 -0.995 1.00 0.40 H new ATOM 0 HB3 ARG A 94 29.728 -5.989 -1.597 1.00 0.40 H new ATOM 0 HG2 ARG A 94 28.460 -5.116 -3.390 1.00 0.92 H new ATOM 0 HG3 ARG A 94 28.756 -6.786 -3.830 1.00 0.92 H new ATOM 0 HD2 ARG A 94 26.474 -6.562 -4.272 1.00 0.65 H new ATOM 0 HD3 ARG A 94 26.470 -7.283 -2.675 1.00 0.65 H new ATOM 0 HE ARG A 94 26.167 -4.325 -3.091 1.00 0.89 H new ATOM 0 HH11 ARG A 94 25.246 -7.361 -1.520 1.00 1.71 H new ATOM 0 HH12 ARG A 94 23.983 -6.600 -0.546 1.00 1.71 H new ATOM 0 HH21 ARG A 94 24.523 -3.375 -1.873 1.00 1.58 H new ATOM 0 HH22 ARG A 94 23.577 -4.353 -0.746 1.00 1.58 H new ATOM 1496 N ILE A 95 30.730 -9.331 -1.817 1.00 0.35 N ATOM 1497 CA ILE A 95 32.076 -9.830 -1.594 1.00 0.38 C ATOM 1498 C ILE A 95 33.068 -9.103 -2.492 1.00 0.41 C ATOM 1499 O ILE A 95 33.106 -9.322 -3.703 1.00 0.45 O ATOM 1500 CB ILE A 95 32.203 -11.367 -1.816 1.00 0.43 C ATOM 1501 CG1 ILE A 95 31.351 -12.154 -0.808 1.00 0.47 C ATOM 1502 CG2 ILE A 95 33.659 -11.798 -1.702 1.00 0.52 C ATOM 1503 CD1 ILE A 95 29.862 -12.119 -1.080 1.00 0.51 C ATOM 0 H ILE A 95 30.209 -9.820 -2.544 1.00 0.35 H new ATOM 0 HA ILE A 95 32.305 -9.634 -0.546 1.00 0.38 H new ATOM 0 HB ILE A 95 31.835 -11.587 -2.818 1.00 0.43 H new ATOM 0 HG12 ILE A 95 31.682 -13.192 -0.804 1.00 0.47 H new ATOM 0 HG13 ILE A 95 31.534 -11.758 0.191 1.00 0.47 H new ATOM 0 HG21 ILE A 95 33.733 -12.874 -1.859 1.00 0.52 H new ATOM 0 HG22 ILE A 95 34.252 -11.279 -2.455 1.00 0.52 H new ATOM 0 HG23 ILE A 95 34.035 -11.549 -0.710 1.00 0.52 H new ATOM 0 HD11 ILE A 95 29.340 -12.700 -0.320 1.00 0.51 H new ATOM 0 HD12 ILE A 95 29.511 -11.087 -1.053 1.00 0.51 H new ATOM 0 HD13 ILE A 95 29.662 -12.544 -2.063 1.00 0.51 H new ATOM 1515 N GLU A 96 33.841 -8.212 -1.886 1.00 0.43 N ATOM 1516 CA GLU A 96 34.906 -7.511 -2.585 1.00 0.49 C ATOM 1517 C GLU A 96 36.147 -8.404 -2.632 1.00 0.45 C ATOM 1518 O GLU A 96 36.226 -9.394 -1.905 1.00 0.45 O ATOM 1519 CB GLU A 96 35.221 -6.184 -1.876 1.00 0.55 C ATOM 1520 CG GLU A 96 36.151 -5.268 -2.659 1.00 0.77 C ATOM 1521 CD GLU A 96 36.584 -4.058 -1.868 1.00 0.88 C ATOM 1522 OE1 GLU A 96 37.531 -4.184 -1.069 1.00 1.37 O ATOM 1523 OE2 GLU A 96 35.992 -2.975 -2.057 1.00 1.19 O ATOM 0 H GLU A 96 33.748 -7.957 -0.903 1.00 0.43 H new ATOM 0 HA GLU A 96 34.589 -7.285 -3.603 1.00 0.49 H new ATOM 0 HB2 GLU A 96 34.287 -5.657 -1.683 1.00 0.55 H new ATOM 0 HB3 GLU A 96 35.672 -6.400 -0.907 1.00 0.55 H new ATOM 0 HG2 GLU A 96 37.033 -5.830 -2.966 1.00 0.77 H new ATOM 0 HG3 GLU A 96 35.649 -4.940 -3.569 1.00 0.77 H new ATOM 1530 N SER A 97 37.111 -8.043 -3.471 1.00 0.49 N ATOM 1531 CA SER A 97 38.333 -8.817 -3.644 1.00 0.54 C ATOM 1532 C SER A 97 39.044 -9.099 -2.315 1.00 0.52 C ATOM 1533 O SER A 97 39.496 -10.218 -2.082 1.00 0.59 O ATOM 1534 CB SER A 97 39.263 -8.074 -4.598 1.00 0.64 C ATOM 1535 OG SER A 97 39.246 -6.682 -4.331 1.00 1.00 O ATOM 0 H SER A 97 37.067 -7.205 -4.051 1.00 0.49 H new ATOM 0 HA SER A 97 38.061 -9.786 -4.062 1.00 0.54 H new ATOM 0 HB2 SER A 97 40.278 -8.457 -4.496 1.00 0.64 H new ATOM 0 HB3 SER A 97 38.956 -8.256 -5.628 1.00 0.64 H new ATOM 0 HG SER A 97 39.850 -6.223 -4.951 1.00 1.00 H new ATOM 1541 N MET A 98 39.129 -8.095 -1.440 1.00 0.48 N ATOM 1542 CA MET A 98 39.842 -8.261 -0.174 1.00 0.53 C ATOM 1543 C MET A 98 39.013 -9.054 0.836 1.00 0.49 C ATOM 1544 O MET A 98 39.509 -9.420 1.902 1.00 0.58 O ATOM 1545 CB MET A 98 40.254 -6.909 0.423 1.00 0.59 C ATOM 1546 CG MET A 98 39.102 -6.061 0.936 1.00 0.57 C ATOM 1547 SD MET A 98 39.674 -4.543 1.726 1.00 0.79 S ATOM 1548 CE MET A 98 38.120 -3.740 2.106 1.00 1.79 C ATOM 0 H MET A 98 38.719 -7.172 -1.582 1.00 0.48 H new ATOM 0 HA MET A 98 40.747 -8.827 -0.393 1.00 0.53 H new ATOM 0 HB2 MET A 98 40.949 -7.087 1.243 1.00 0.59 H new ATOM 0 HB3 MET A 98 40.794 -6.342 -0.335 1.00 0.59 H new ATOM 0 HG2 MET A 98 38.440 -5.810 0.107 1.00 0.57 H new ATOM 0 HG3 MET A 98 38.515 -6.641 1.648 1.00 0.57 H new ATOM 0 HE1 MET A 98 38.201 -2.673 1.897 1.00 1.79 H new ATOM 0 HE2 MET A 98 37.328 -4.171 1.493 1.00 1.79 H new ATOM 0 HE3 MET A 98 37.883 -3.886 3.160 1.00 1.79 H new ATOM 1558 N TYR A 99 37.754 -9.324 0.501 1.00 0.41 N ATOM 1559 CA TYR A 99 36.889 -10.120 1.369 1.00 0.43 C ATOM 1560 C TYR A 99 37.027 -11.596 1.036 1.00 0.49 C ATOM 1561 O TYR A 99 36.405 -12.452 1.671 1.00 0.48 O ATOM 1562 CB TYR A 99 35.419 -9.706 1.236 1.00 0.43 C ATOM 1563 CG TYR A 99 35.112 -8.315 1.739 1.00 0.46 C ATOM 1564 CD1 TYR A 99 35.968 -7.666 2.614 1.00 0.51 C ATOM 1565 CD2 TYR A 99 33.961 -7.652 1.332 1.00 0.53 C ATOM 1566 CE1 TYR A 99 35.686 -6.396 3.074 1.00 0.59 C ATOM 1567 CE2 TYR A 99 33.671 -6.382 1.785 1.00 0.62 C ATOM 1568 CZ TYR A 99 34.536 -5.757 2.655 1.00 0.63 C ATOM 1569 OH TYR A 99 34.248 -4.492 3.109 1.00 0.75 O ATOM 0 H TYR A 99 37.311 -9.005 -0.361 1.00 0.41 H new ATOM 0 HA TYR A 99 37.204 -9.941 2.397 1.00 0.43 H new ATOM 0 HB2 TYR A 99 35.130 -9.771 0.187 1.00 0.43 H new ATOM 0 HB3 TYR A 99 34.803 -10.420 1.782 1.00 0.43 H new ATOM 0 HD1 TYR A 99 36.870 -8.162 2.941 1.00 0.51 H new ATOM 0 HD2 TYR A 99 33.281 -8.140 0.649 1.00 0.53 H new ATOM 0 HE1 TYR A 99 36.361 -5.904 3.758 1.00 0.59 H new ATOM 0 HE2 TYR A 99 32.771 -5.881 1.459 1.00 0.62 H new ATOM 0 HH TYR A 99 34.227 -4.493 4.089 1.00 0.75 H new ATOM 1579 N GLY A 100 37.849 -11.885 0.038 1.00 0.60 N ATOM 1580 CA GLY A 100 38.069 -13.248 -0.387 1.00 0.71 C ATOM 1581 C GLY A 100 39.493 -13.455 -0.869 1.00 0.67 C ATOM 1582 O GLY A 100 40.356 -12.614 -0.625 1.00 0.67 O ATOM 0 H GLY A 100 38.373 -11.187 -0.490 1.00 0.60 H new ATOM 0 HA2 GLY A 100 37.861 -13.927 0.440 1.00 0.71 H new ATOM 0 HA3 GLY A 100 37.372 -13.498 -1.187 1.00 0.71 H new ATOM 1586 N TYR A 101 39.748 -14.560 -1.556 1.00 0.76 N ATOM 1587 CA TYR A 101 41.081 -14.831 -2.076 1.00 0.86 C ATOM 1588 C TYR A 101 41.249 -14.204 -3.459 1.00 0.93 C ATOM 1589 O TYR A 101 41.094 -14.876 -4.481 1.00 1.52 O ATOM 1590 CB TYR A 101 41.346 -16.337 -2.146 1.00 1.01 C ATOM 1591 CG TYR A 101 41.386 -17.024 -0.797 1.00 0.86 C ATOM 1592 CD1 TYR A 101 42.561 -17.075 -0.060 1.00 1.09 C ATOM 1593 CD2 TYR A 101 40.252 -17.630 -0.266 1.00 0.75 C ATOM 1594 CE1 TYR A 101 42.607 -17.706 1.167 1.00 1.14 C ATOM 1595 CE2 TYR A 101 40.293 -18.265 0.962 1.00 0.74 C ATOM 1596 CZ TYR A 101 41.471 -18.300 1.674 1.00 0.92 C ATOM 1597 OH TYR A 101 41.519 -18.935 2.895 1.00 1.09 O ATOM 0 H TYR A 101 39.055 -15.279 -1.765 1.00 0.76 H new ATOM 0 HA TYR A 101 41.806 -14.387 -1.395 1.00 0.86 H new ATOM 0 HB2 TYR A 101 40.572 -16.803 -2.755 1.00 1.01 H new ATOM 0 HB3 TYR A 101 42.295 -16.504 -2.655 1.00 1.01 H new ATOM 0 HD1 TYR A 101 43.455 -16.613 -0.453 1.00 1.09 H new ATOM 0 HD2 TYR A 101 39.326 -17.604 -0.821 1.00 0.75 H new ATOM 0 HE1 TYR A 101 43.530 -17.734 1.728 1.00 1.14 H new ATOM 0 HE2 TYR A 101 39.404 -18.732 1.361 1.00 0.74 H new ATOM 0 HH TYR A 101 40.635 -19.300 3.109 1.00 1.09 H new ATOM 1681 N SER A 109 33.032 -19.520 -10.228 1.00 0.97 N ATOM 1682 CA SER A 109 32.252 -19.176 -11.410 1.00 0.88 C ATOM 1683 C SER A 109 32.896 -18.022 -12.183 1.00 0.77 C ATOM 1684 O SER A 109 33.524 -18.240 -13.220 1.00 0.85 O ATOM 1685 CB SER A 109 30.823 -18.818 -10.998 1.00 0.92 C ATOM 1686 OG SER A 109 30.273 -19.811 -10.148 1.00 1.52 O ATOM 0 HA SER A 109 32.227 -20.041 -12.072 1.00 0.88 H new ATOM 0 HB2 SER A 109 30.819 -17.855 -10.488 1.00 0.92 H new ATOM 0 HB3 SER A 109 30.201 -18.710 -11.887 1.00 0.92 H new ATOM 0 HG SER A 109 30.979 -20.182 -9.579 1.00 1.52 H new ATOM 1692 N ILE A 110 32.779 -16.802 -11.662 1.00 0.68 N ATOM 1693 CA ILE A 110 33.378 -15.634 -12.307 1.00 0.65 C ATOM 1694 C ILE A 110 33.880 -14.620 -11.274 1.00 0.63 C ATOM 1695 O ILE A 110 33.189 -13.662 -10.936 1.00 0.75 O ATOM 1696 CB ILE A 110 32.421 -14.910 -13.303 1.00 0.64 C ATOM 1697 CG1 ILE A 110 31.016 -14.694 -12.713 1.00 0.66 C ATOM 1698 CG2 ILE A 110 32.336 -15.668 -14.619 1.00 0.72 C ATOM 1699 CD1 ILE A 110 30.098 -15.895 -12.810 1.00 0.74 C ATOM 0 H ILE A 110 32.277 -16.596 -10.798 1.00 0.68 H new ATOM 0 HA ILE A 110 34.216 -16.029 -12.881 1.00 0.65 H new ATOM 0 HB ILE A 110 32.847 -13.924 -13.491 1.00 0.64 H new ATOM 0 HG12 ILE A 110 31.116 -14.414 -11.664 1.00 0.66 H new ATOM 0 HG13 ILE A 110 30.547 -13.853 -13.224 1.00 0.66 H new ATOM 0 HG21 ILE A 110 31.663 -15.144 -15.298 1.00 0.72 H new ATOM 0 HG22 ILE A 110 33.327 -15.730 -15.068 1.00 0.72 H new ATOM 0 HG23 ILE A 110 31.957 -16.673 -14.436 1.00 0.72 H new ATOM 0 HD11 ILE A 110 29.131 -15.651 -12.370 1.00 0.74 H new ATOM 0 HD12 ILE A 110 29.962 -16.165 -13.857 1.00 0.74 H new ATOM 0 HD13 ILE A 110 30.539 -16.735 -12.273 1.00 0.74 H new ATOM 1711 N PRO A 111 35.081 -14.857 -10.729 1.00 0.70 N ATOM 1712 CA PRO A 111 35.737 -13.976 -9.781 1.00 0.78 C ATOM 1713 C PRO A 111 36.848 -13.150 -10.442 1.00 0.79 C ATOM 1714 O PRO A 111 36.761 -12.815 -11.627 1.00 1.58 O ATOM 1715 CB PRO A 111 36.316 -14.993 -8.792 1.00 1.10 C ATOM 1716 CG PRO A 111 36.536 -16.249 -9.595 1.00 1.22 C ATOM 1717 CD PRO A 111 35.903 -16.041 -10.951 1.00 0.89 C ATOM 0 HA PRO A 111 35.077 -13.232 -9.335 1.00 0.78 H new ATOM 0 HB2 PRO A 111 37.250 -14.634 -8.360 1.00 1.10 H new ATOM 0 HB3 PRO A 111 35.630 -15.171 -7.964 1.00 1.10 H new ATOM 0 HG2 PRO A 111 37.601 -16.456 -9.697 1.00 1.22 H new ATOM 0 HG3 PRO A 111 36.091 -17.108 -9.092 1.00 1.22 H new ATOM 0 HD2 PRO A 111 36.650 -15.878 -11.728 1.00 0.89 H new ATOM 0 HD3 PRO A 111 35.306 -16.900 -11.258 1.00 0.89 H new ATOM 1725 N GLY A 112 37.883 -12.818 -9.676 1.00 0.95 N ATOM 1726 CA GLY A 112 39.019 -12.105 -10.229 1.00 1.02 C ATOM 1727 C GLY A 112 38.923 -10.615 -10.007 1.00 1.09 C ATOM 1728 O GLY A 112 38.628 -9.863 -10.938 1.00 2.05 O ATOM 0 H GLY A 112 37.955 -13.031 -8.681 1.00 0.95 H new ATOM 0 HA2 GLY A 112 39.936 -12.479 -9.775 1.00 1.02 H new ATOM 0 HA3 GLY A 112 39.087 -12.307 -11.298 1.00 1.02 H new ATOM 1732 N ASN A 113 39.142 -10.193 -8.760 1.00 0.74 N ATOM 1733 CA ASN A 113 39.080 -8.775 -8.384 1.00 0.84 C ATOM 1734 C ASN A 113 37.724 -8.169 -8.738 1.00 0.75 C ATOM 1735 O ASN A 113 37.591 -6.955 -8.895 1.00 1.00 O ATOM 1736 CB ASN A 113 40.207 -7.977 -9.059 1.00 1.00 C ATOM 1737 CG ASN A 113 41.576 -8.292 -8.480 1.00 1.49 C ATOM 1738 OD1 ASN A 113 42.251 -9.219 -8.929 1.00 2.03 O ATOM 1739 ND2 ASN A 113 42.002 -7.523 -7.487 1.00 1.79 N ATOM 0 H ASN A 113 39.366 -10.818 -7.986 1.00 0.74 H new ATOM 0 HA ASN A 113 39.211 -8.717 -7.303 1.00 0.84 H new ATOM 0 HB2 ASN A 113 40.210 -8.193 -10.127 1.00 1.00 H new ATOM 0 HB3 ASN A 113 40.007 -6.911 -8.950 1.00 1.00 H new ATOM 0 HD21 ASN A 113 42.917 -7.690 -7.069 1.00 1.79 H new ATOM 0 HD22 ASN A 113 41.414 -6.764 -7.141 1.00 1.79 H new ATOM 1746 N SER A 114 36.717 -9.022 -8.840 1.00 0.57 N ATOM 1747 CA SER A 114 35.378 -8.587 -9.191 1.00 0.58 C ATOM 1748 C SER A 114 34.442 -8.811 -8.010 1.00 0.50 C ATOM 1749 O SER A 114 34.671 -9.710 -7.203 1.00 0.59 O ATOM 1750 CB SER A 114 34.893 -9.363 -10.415 1.00 0.65 C ATOM 1751 OG SER A 114 35.850 -9.296 -11.464 1.00 1.14 O ATOM 0 H SER A 114 36.805 -10.026 -8.683 1.00 0.57 H new ATOM 0 HA SER A 114 35.388 -7.524 -9.432 1.00 0.58 H new ATOM 0 HB2 SER A 114 34.715 -10.404 -10.145 1.00 0.65 H new ATOM 0 HB3 SER A 114 33.942 -8.955 -10.757 1.00 0.65 H new ATOM 0 HG SER A 114 36.702 -9.666 -11.153 1.00 1.14 H new ATOM 1757 N VAL A 115 33.400 -7.998 -7.908 1.00 0.44 N ATOM 1758 CA VAL A 115 32.476 -8.097 -6.785 1.00 0.38 C ATOM 1759 C VAL A 115 31.228 -8.900 -7.161 1.00 0.31 C ATOM 1760 O VAL A 115 30.621 -8.688 -8.215 1.00 0.31 O ATOM 1761 CB VAL A 115 32.073 -6.699 -6.254 1.00 0.44 C ATOM 1762 CG1 VAL A 115 31.394 -5.872 -7.338 1.00 0.48 C ATOM 1763 CG2 VAL A 115 31.173 -6.821 -5.039 1.00 0.42 C ATOM 0 H VAL A 115 33.173 -7.268 -8.583 1.00 0.44 H new ATOM 0 HA VAL A 115 32.999 -8.625 -5.988 1.00 0.38 H new ATOM 0 HB VAL A 115 32.986 -6.183 -5.957 1.00 0.44 H new ATOM 0 HG11 VAL A 115 31.123 -4.896 -6.935 1.00 0.48 H new ATOM 0 HG12 VAL A 115 32.077 -5.741 -8.177 1.00 0.48 H new ATOM 0 HG13 VAL A 115 30.495 -6.386 -7.679 1.00 0.48 H new ATOM 0 HG21 VAL A 115 30.904 -5.826 -4.684 1.00 0.42 H new ATOM 0 HG22 VAL A 115 30.269 -7.367 -5.309 1.00 0.42 H new ATOM 0 HG23 VAL A 115 31.699 -7.358 -4.249 1.00 0.42 H new ATOM 1773 N LEU A 116 30.860 -9.835 -6.297 1.00 0.28 N ATOM 1774 CA LEU A 116 29.691 -10.670 -6.524 1.00 0.25 C ATOM 1775 C LEU A 116 28.741 -10.576 -5.329 1.00 0.28 C ATOM 1776 O LEU A 116 29.122 -10.088 -4.261 1.00 0.37 O ATOM 1777 CB LEU A 116 30.094 -12.142 -6.732 1.00 0.30 C ATOM 1778 CG LEU A 116 31.026 -12.440 -7.913 1.00 0.33 C ATOM 1779 CD1 LEU A 116 32.478 -12.150 -7.563 1.00 0.51 C ATOM 1780 CD2 LEU A 116 30.865 -13.882 -8.355 1.00 0.50 C ATOM 0 H LEU A 116 31.357 -10.034 -5.429 1.00 0.28 H new ATOM 0 HA LEU A 116 29.192 -10.311 -7.424 1.00 0.25 H new ATOM 0 HB2 LEU A 116 30.576 -12.495 -5.820 1.00 0.30 H new ATOM 0 HB3 LEU A 116 29.185 -12.729 -6.859 1.00 0.30 H new ATOM 0 HG LEU A 116 30.747 -11.783 -8.736 1.00 0.33 H new ATOM 0 HD11 LEU A 116 33.111 -12.372 -8.422 1.00 0.51 H new ATOM 0 HD12 LEU A 116 32.585 -11.099 -7.296 1.00 0.51 H new ATOM 0 HD13 LEU A 116 32.780 -12.771 -6.720 1.00 0.51 H new ATOM 0 HD21 LEU A 116 31.532 -14.082 -9.194 1.00 0.50 H new ATOM 0 HD22 LEU A 116 31.114 -14.546 -7.527 1.00 0.50 H new ATOM 0 HD23 LEU A 116 29.834 -14.056 -8.662 1.00 0.50 H new ATOM 1792 N LEU A 117 27.507 -11.035 -5.513 1.00 0.31 N ATOM 1793 CA LEU A 117 26.550 -11.123 -4.416 1.00 0.38 C ATOM 1794 C LEU A 117 26.032 -12.547 -4.319 1.00 0.31 C ATOM 1795 O LEU A 117 25.525 -13.094 -5.301 1.00 0.38 O ATOM 1796 CB LEU A 117 25.340 -10.189 -4.587 1.00 0.61 C ATOM 1797 CG LEU A 117 25.507 -8.980 -5.507 1.00 0.38 C ATOM 1798 CD1 LEU A 117 25.416 -9.407 -6.957 1.00 0.70 C ATOM 1799 CD2 LEU A 117 24.446 -7.934 -5.200 1.00 0.59 C ATOM 0 H LEU A 117 27.146 -11.352 -6.413 1.00 0.31 H new ATOM 0 HA LEU A 117 27.082 -10.818 -3.515 1.00 0.38 H new ATOM 0 HB2 LEU A 117 24.506 -10.783 -4.961 1.00 0.61 H new ATOM 0 HB3 LEU A 117 25.054 -9.824 -3.600 1.00 0.61 H new ATOM 0 HG LEU A 117 26.490 -8.543 -5.333 1.00 0.38 H new ATOM 0 HD11 LEU A 117 25.537 -8.536 -7.601 1.00 0.70 H new ATOM 0 HD12 LEU A 117 26.202 -10.130 -7.173 1.00 0.70 H new ATOM 0 HD13 LEU A 117 24.443 -9.863 -7.142 1.00 0.70 H new ATOM 0 HD21 LEU A 117 24.576 -7.078 -5.862 1.00 0.59 H new ATOM 0 HD22 LEU A 117 23.456 -8.364 -5.353 1.00 0.59 H new ATOM 0 HD23 LEU A 117 24.544 -7.609 -4.164 1.00 0.59 H new ATOM 1811 N PHE A 118 26.162 -13.148 -3.151 1.00 0.30 N ATOM 1812 CA PHE A 118 25.660 -14.496 -2.932 1.00 0.34 C ATOM 1813 C PHE A 118 24.616 -14.504 -1.825 1.00 0.34 C ATOM 1814 O PHE A 118 24.726 -13.745 -0.860 1.00 0.37 O ATOM 1815 CB PHE A 118 26.799 -15.443 -2.545 1.00 0.43 C ATOM 1816 CG PHE A 118 27.916 -15.495 -3.544 1.00 0.37 C ATOM 1817 CD1 PHE A 118 27.707 -16.023 -4.806 1.00 0.39 C ATOM 1818 CD2 PHE A 118 29.176 -15.020 -3.219 1.00 0.38 C ATOM 1819 CE1 PHE A 118 28.734 -16.075 -5.724 1.00 0.38 C ATOM 1820 CE2 PHE A 118 30.207 -15.073 -4.135 1.00 0.40 C ATOM 1821 CZ PHE A 118 29.984 -15.601 -5.390 1.00 0.38 C ATOM 0 H PHE A 118 26.611 -12.726 -2.338 1.00 0.30 H new ATOM 0 HA PHE A 118 25.208 -14.836 -3.864 1.00 0.34 H new ATOM 0 HB2 PHE A 118 27.202 -15.134 -1.580 1.00 0.43 H new ATOM 0 HB3 PHE A 118 26.395 -16.447 -2.415 1.00 0.43 H new ATOM 0 HD1 PHE A 118 26.730 -16.398 -5.074 1.00 0.39 H new ATOM 0 HD2 PHE A 118 29.353 -14.604 -2.238 1.00 0.38 H new ATOM 0 HE1 PHE A 118 28.559 -16.488 -6.706 1.00 0.38 H new ATOM 0 HE2 PHE A 118 31.186 -14.702 -3.870 1.00 0.40 H new ATOM 0 HZ PHE A 118 30.788 -15.643 -6.110 1.00 0.38 H new ATOM 1831 N GLU A 119 23.595 -15.333 -1.982 1.00 0.33 N ATOM 1832 CA GLU A 119 22.677 -15.607 -0.895 1.00 0.37 C ATOM 1833 C GLU A 119 23.420 -16.266 0.248 1.00 0.34 C ATOM 1834 O GLU A 119 24.246 -17.146 0.031 1.00 0.47 O ATOM 1835 CB GLU A 119 21.558 -16.556 -1.321 1.00 0.56 C ATOM 1836 CG GLU A 119 20.564 -15.990 -2.317 1.00 0.82 C ATOM 1837 CD GLU A 119 19.325 -16.858 -2.405 1.00 1.18 C ATOM 1838 OE1 GLU A 119 19.438 -18.018 -2.852 1.00 1.43 O ATOM 1839 OE2 GLU A 119 18.226 -16.369 -2.067 1.00 1.46 O ATOM 0 H GLU A 119 23.384 -15.825 -2.850 1.00 0.33 H new ATOM 0 HA GLU A 119 22.246 -14.653 -0.593 1.00 0.37 H new ATOM 0 HB2 GLU A 119 22.008 -17.450 -1.752 1.00 0.56 H new ATOM 0 HB3 GLU A 119 21.014 -16.871 -0.430 1.00 0.56 H new ATOM 0 HG2 GLU A 119 20.283 -14.979 -2.021 1.00 0.82 H new ATOM 0 HG3 GLU A 119 21.031 -15.916 -3.299 1.00 0.82 H new ATOM 1846 N ILE A 120 23.142 -15.832 1.455 1.00 0.29 N ATOM 1847 CA ILE A 120 23.610 -16.535 2.624 1.00 0.31 C ATOM 1848 C ILE A 120 22.422 -16.785 3.535 1.00 0.31 C ATOM 1849 O ILE A 120 21.769 -15.851 3.990 1.00 0.33 O ATOM 1850 CB ILE A 120 24.730 -15.769 3.363 1.00 0.34 C ATOM 1851 CG1 ILE A 120 25.910 -15.514 2.413 1.00 0.33 C ATOM 1852 CG2 ILE A 120 25.194 -16.566 4.571 1.00 0.48 C ATOM 1853 CD1 ILE A 120 27.143 -14.936 3.082 1.00 0.39 C ATOM 0 H ILE A 120 22.594 -14.995 1.652 1.00 0.29 H new ATOM 0 HA ILE A 120 24.052 -17.482 2.314 1.00 0.31 H new ATOM 0 HB ILE A 120 24.339 -14.810 3.702 1.00 0.34 H new ATOM 0 HG12 ILE A 120 26.181 -16.453 1.930 1.00 0.33 H new ATOM 0 HG13 ILE A 120 25.586 -14.833 1.626 1.00 0.33 H new ATOM 0 HG21 ILE A 120 25.984 -16.019 5.086 1.00 0.48 H new ATOM 0 HG22 ILE A 120 24.355 -16.718 5.250 1.00 0.48 H new ATOM 0 HG23 ILE A 120 25.576 -17.533 4.244 1.00 0.48 H new ATOM 0 HD11 ILE A 120 27.925 -14.788 2.338 1.00 0.39 H new ATOM 0 HD12 ILE A 120 26.893 -13.979 3.541 1.00 0.39 H new ATOM 0 HD13 ILE A 120 27.497 -15.625 3.849 1.00 0.39 H new ATOM 1865 N GLU A 121 22.118 -18.054 3.745 1.00 0.36 N ATOM 1866 CA GLU A 121 20.888 -18.452 4.409 1.00 0.40 C ATOM 1867 C GLU A 121 21.166 -19.538 5.445 1.00 0.35 C ATOM 1868 O GLU A 121 21.518 -20.668 5.096 1.00 0.40 O ATOM 1869 CB GLU A 121 19.906 -18.943 3.343 1.00 0.60 C ATOM 1870 CG GLU A 121 18.493 -19.189 3.829 1.00 1.06 C ATOM 1871 CD GLU A 121 17.584 -19.569 2.682 1.00 1.43 C ATOM 1872 OE1 GLU A 121 17.024 -18.655 2.038 1.00 1.88 O ATOM 1873 OE2 GLU A 121 17.461 -20.777 2.395 1.00 1.67 O ATOM 0 H GLU A 121 22.712 -18.833 3.462 1.00 0.36 H new ATOM 0 HA GLU A 121 20.456 -17.604 4.940 1.00 0.40 H new ATOM 0 HB2 GLU A 121 19.873 -18.209 2.537 1.00 0.60 H new ATOM 0 HB3 GLU A 121 20.292 -19.868 2.916 1.00 0.60 H new ATOM 0 HG2 GLU A 121 18.494 -19.984 4.575 1.00 1.06 H new ATOM 0 HG3 GLU A 121 18.112 -18.293 4.318 1.00 1.06 H new ATOM 1880 N LEU A 122 21.015 -19.192 6.715 1.00 0.33 N ATOM 1881 CA LEU A 122 21.322 -20.114 7.802 1.00 0.33 C ATOM 1882 C LEU A 122 20.166 -21.078 8.036 1.00 0.38 C ATOM 1883 O LEU A 122 19.175 -20.728 8.675 1.00 0.54 O ATOM 1884 CB LEU A 122 21.620 -19.329 9.082 1.00 0.38 C ATOM 1885 CG LEU A 122 22.222 -20.139 10.237 1.00 0.43 C ATOM 1886 CD1 LEU A 122 23.638 -20.586 9.897 1.00 0.80 C ATOM 1887 CD2 LEU A 122 22.212 -19.316 11.514 1.00 1.12 C ATOM 0 H LEU A 122 20.681 -18.278 7.020 1.00 0.33 H new ATOM 0 HA LEU A 122 22.201 -20.695 7.525 1.00 0.33 H new ATOM 0 HB2 LEU A 122 22.305 -18.517 8.837 1.00 0.38 H new ATOM 0 HB3 LEU A 122 20.694 -18.871 9.429 1.00 0.38 H new ATOM 0 HG LEU A 122 21.613 -21.030 10.393 1.00 0.43 H new ATOM 0 HD11 LEU A 122 24.048 -21.159 10.729 1.00 0.80 H new ATOM 0 HD12 LEU A 122 23.618 -21.208 9.002 1.00 0.80 H new ATOM 0 HD13 LEU A 122 24.262 -19.711 9.717 1.00 0.80 H new ATOM 0 HD21 LEU A 122 22.642 -19.901 12.327 1.00 1.12 H new ATOM 0 HD22 LEU A 122 22.801 -18.410 11.368 1.00 1.12 H new ATOM 0 HD23 LEU A 122 21.186 -19.045 11.764 1.00 1.12 H new ATOM 1899 N LEU A 123 20.289 -22.290 7.516 1.00 0.39 N ATOM 1900 CA LEU A 123 19.242 -23.286 7.682 1.00 0.47 C ATOM 1901 C LEU A 123 19.642 -24.341 8.715 1.00 0.47 C ATOM 1902 O LEU A 123 18.824 -25.165 9.126 1.00 0.59 O ATOM 1903 CB LEU A 123 18.885 -23.918 6.324 1.00 0.55 C ATOM 1904 CG LEU A 123 20.058 -24.459 5.498 1.00 0.58 C ATOM 1905 CD1 LEU A 123 20.458 -25.851 5.957 1.00 1.00 C ATOM 1906 CD2 LEU A 123 19.698 -24.476 4.021 1.00 0.77 C ATOM 0 H LEU A 123 21.097 -22.606 6.980 1.00 0.39 H new ATOM 0 HA LEU A 123 18.349 -22.791 8.064 1.00 0.47 H new ATOM 0 HB2 LEU A 123 18.185 -24.735 6.500 1.00 0.55 H new ATOM 0 HB3 LEU A 123 18.361 -23.172 5.727 1.00 0.55 H new ATOM 0 HG LEU A 123 20.910 -23.796 5.649 1.00 0.58 H new ATOM 0 HD11 LEU A 123 21.292 -26.208 5.353 1.00 1.00 H new ATOM 0 HD12 LEU A 123 20.758 -25.817 7.004 1.00 1.00 H new ATOM 0 HD13 LEU A 123 19.612 -26.529 5.844 1.00 1.00 H new ATOM 0 HD21 LEU A 123 20.539 -24.862 3.446 1.00 0.77 H new ATOM 0 HD22 LEU A 123 18.829 -25.115 3.866 1.00 0.77 H new ATOM 0 HD23 LEU A 123 19.467 -23.463 3.691 1.00 0.77 H new ATOM 1918 N SER A 124 20.903 -24.308 9.136 1.00 0.44 N ATOM 1919 CA SER A 124 21.404 -25.218 10.166 1.00 0.47 C ATOM 1920 C SER A 124 22.607 -24.612 10.874 1.00 0.43 C ATOM 1921 O SER A 124 23.457 -23.992 10.232 1.00 0.48 O ATOM 1922 CB SER A 124 21.792 -26.575 9.559 1.00 0.63 C ATOM 1923 OG SER A 124 20.667 -27.241 9.008 1.00 1.19 O ATOM 0 H SER A 124 21.602 -23.657 8.778 1.00 0.44 H new ATOM 0 HA SER A 124 20.604 -25.374 10.890 1.00 0.47 H new ATOM 0 HB2 SER A 124 22.543 -26.426 8.783 1.00 0.63 H new ATOM 0 HB3 SER A 124 22.246 -27.201 10.327 1.00 0.63 H new ATOM 0 HG SER A 124 19.871 -26.679 9.111 1.00 1.19 H new ATOM 1929 N PHE A 125 22.669 -24.784 12.190 1.00 0.39 N ATOM 1930 CA PHE A 125 23.797 -24.307 12.979 1.00 0.43 C ATOM 1931 C PHE A 125 23.774 -24.938 14.366 1.00 0.46 C ATOM 1932 O PHE A 125 22.710 -25.273 14.883 1.00 0.46 O ATOM 1933 CB PHE A 125 23.789 -22.772 13.094 1.00 0.46 C ATOM 1934 CG PHE A 125 22.648 -22.200 13.900 1.00 0.46 C ATOM 1935 CD1 PHE A 125 21.343 -22.280 13.440 1.00 0.44 C ATOM 1936 CD2 PHE A 125 22.888 -21.566 15.111 1.00 0.62 C ATOM 1937 CE1 PHE A 125 20.302 -21.741 14.172 1.00 0.54 C ATOM 1938 CE2 PHE A 125 21.849 -21.028 15.844 1.00 0.72 C ATOM 1939 CZ PHE A 125 20.555 -21.116 15.374 1.00 0.67 C ATOM 0 H PHE A 125 21.946 -25.253 12.735 1.00 0.39 H new ATOM 0 HA PHE A 125 24.713 -24.602 12.468 1.00 0.43 H new ATOM 0 HB2 PHE A 125 24.729 -22.451 13.544 1.00 0.46 H new ATOM 0 HB3 PHE A 125 23.754 -22.347 12.091 1.00 0.46 H new ATOM 0 HD1 PHE A 125 21.137 -22.769 12.499 1.00 0.44 H new ATOM 0 HD2 PHE A 125 23.899 -21.493 15.484 1.00 0.62 H new ATOM 0 HE1 PHE A 125 19.290 -21.810 13.802 1.00 0.54 H new ATOM 0 HE2 PHE A 125 22.049 -20.538 16.785 1.00 0.72 H new ATOM 0 HZ PHE A 125 19.742 -20.696 15.947 1.00 0.67 H new ATOM 1949 N ARG A 126 24.949 -25.112 14.954 1.00 0.60 N ATOM 1950 CA ARG A 126 25.066 -25.714 16.273 1.00 0.71 C ATOM 1951 C ARG A 126 26.228 -25.101 17.051 1.00 0.76 C ATOM 1952 O ARG A 126 27.354 -25.035 16.559 1.00 0.90 O ATOM 1953 CB ARG A 126 25.224 -27.233 16.144 1.00 0.83 C ATOM 1954 CG ARG A 126 25.907 -27.666 14.855 1.00 0.85 C ATOM 1955 CD ARG A 126 25.827 -29.170 14.648 1.00 1.12 C ATOM 1956 NE ARG A 126 26.176 -29.551 13.277 1.00 1.57 N ATOM 1957 CZ ARG A 126 25.526 -30.485 12.575 1.00 2.14 C ATOM 1958 NH1 ARG A 126 24.529 -31.169 13.124 1.00 2.47 N ATOM 1959 NH2 ARG A 126 25.878 -30.744 11.323 1.00 2.98 N ATOM 0 H ARG A 126 25.839 -24.843 14.535 1.00 0.60 H new ATOM 0 HA ARG A 126 24.154 -25.509 16.833 1.00 0.71 H new ATOM 0 HB2 ARG A 126 25.799 -27.604 16.993 1.00 0.83 H new ATOM 0 HB3 ARG A 126 24.240 -27.698 16.198 1.00 0.83 H new ATOM 0 HG2 ARG A 126 25.442 -27.158 14.010 1.00 0.85 H new ATOM 0 HG3 ARG A 126 26.952 -27.358 14.877 1.00 0.85 H new ATOM 0 HD2 ARG A 126 26.499 -29.669 15.346 1.00 1.12 H new ATOM 0 HD3 ARG A 126 24.818 -29.515 14.875 1.00 1.12 H new ATOM 0 HE ARG A 126 26.961 -29.076 12.832 1.00 1.57 H new ATOM 0 HH11 ARG A 126 24.254 -30.984 14.088 1.00 2.47 H new ATOM 0 HH12 ARG A 126 24.039 -31.880 12.581 1.00 2.47 H new ATOM 0 HH21 ARG A 126 26.647 -30.230 10.893 1.00 2.98 H new ATOM 0 HH22 ARG A 126 25.380 -31.457 10.790 1.00 2.98 H new ATOM 1973 N GLU A 127 25.928 -24.643 18.260 1.00 0.82 N ATOM 1974 CA GLU A 127 26.902 -23.953 19.104 1.00 0.88 C ATOM 1975 C GLU A 127 27.756 -24.947 19.886 1.00 1.01 C ATOM 1976 O GLU A 127 27.229 -25.768 20.639 1.00 1.11 O ATOM 1977 CB GLU A 127 26.162 -23.032 20.076 1.00 1.10 C ATOM 1978 CG GLU A 127 26.502 -21.557 19.930 1.00 1.68 C ATOM 1979 CD GLU A 127 27.806 -21.185 20.600 1.00 2.69 C ATOM 1980 OE1 GLU A 127 27.787 -20.868 21.808 1.00 3.18 O ATOM 1981 OE2 GLU A 127 28.855 -21.200 19.933 1.00 3.38 O ATOM 0 H GLU A 127 25.005 -24.738 18.685 1.00 0.82 H new ATOM 0 HA GLU A 127 27.564 -23.369 18.465 1.00 0.88 H new ATOM 0 HB2 GLU A 127 25.089 -23.160 19.933 1.00 1.10 H new ATOM 0 HB3 GLU A 127 26.387 -23.345 21.096 1.00 1.10 H new ATOM 0 HG2 GLU A 127 26.559 -21.305 18.871 1.00 1.68 H new ATOM 0 HG3 GLU A 127 25.696 -20.960 20.357 1.00 1.68 H new