USER MOD reduce.3.24.130724 H: found=0, std=0, add=587, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 586 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 62 GLN :FLIP amide:sc= 0.302 F(o=1,f=1.7) USER MOD Set 1.2: A 65 SER OG : rot 77:sc= 1.43 USER MOD Set 2.1: A 7 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 9 THR OG1 : rot 180:sc= 0 USER MOD Set 3.1: A 6 LYS NZ :NH3+ 161:sc= 1.73 (180deg=1.16) USER MOD Set 3.2: A 12 THR OG1 : rot 180:sc= 0.519 USER MOD Single : A 1 MET CE :methyl -173:sc= 0 (180deg=-0.0588) USER MOD Single : A 1 MET N :NH3+ 165:sc= 1.12 (180deg=0.558) USER MOD Single : A 2 GLN : amide:sc= 0 K(o=0,f=-1.6!) USER MOD Single : A 11 LYS NZ :NH3+ -166:sc= 1.25 (180deg=1.07) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0.0305 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 ASN : amide:sc= 0.78 K(o=0.78,f=-0.66) USER MOD Single : A 27 LYS NZ :NH3+ 138:sc= 1.82 (180deg=1.26) USER MOD Single : A 29 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.071) USER MOD Single : A 31 GLN : amide:sc= -0.908 X(o=-0.91,f=-0.65) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=-0.27) USER MOD Single : A 41 GLN : amide:sc= 0.15 K(o=0.15,f=-2.2) USER MOD Single : A 48 LYS NZ :NH3+ 144:sc= -0.124 (180deg=-0.744) USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 THR OG1 : rot -45:sc= 1.24 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 70:sc= 0.202 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=-0.023) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS :FLIP no HD1:sc= -0.128 F(o=-0.82,f=-0.13) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 12.119 -7.038 -4.826 1.00 9.67 N ATOM 2 CA MET A 1 11.774 -7.838 -3.634 1.00 10.38 C ATOM 3 C MET A 1 10.287 -7.999 -3.306 1.00 9.62 C ATOM 4 O MET A 1 9.437 -7.669 -4.149 1.00 9.62 O ATOM 5 CB MET A 1 12.569 -7.183 -2.452 1.00 13.77 C ATOM 6 CG MET A 1 12.428 -5.674 -2.214 1.00 16.29 C ATOM 7 SD MET A 1 10.837 -5.125 -1.570 1.00 17.17 S ATOM 8 CE MET A 1 11.200 -3.353 -1.531 1.00 16.11 C ATOM 0 H1 MET A 1 13.129 -6.792 -4.799 1.00 9.67 H new ATOM 0 H2 MET A 1 11.920 -7.591 -5.684 1.00 9.67 H new ATOM 0 H3 MET A 1 11.551 -6.167 -4.836 1.00 9.67 H new ATOM 0 HA MET A 1 12.053 -8.873 -3.829 1.00 10.38 H new ATOM 0 HB2 MET A 1 12.274 -7.691 -1.534 1.00 13.77 H new ATOM 0 HB3 MET A 1 13.627 -7.395 -2.608 1.00 13.77 H new ATOM 0 HG2 MET A 1 13.207 -5.361 -1.519 1.00 16.29 H new ATOM 0 HG3 MET A 1 12.615 -5.158 -3.156 1.00 16.29 H new ATOM 0 HE1 MET A 1 10.382 -2.825 -1.041 1.00 16.11 H new ATOM 0 HE2 MET A 1 12.124 -3.183 -0.978 1.00 16.11 H new ATOM 0 HE3 MET A 1 11.313 -2.982 -2.550 1.00 16.11 H new ATOM 20 N GLN A 2 9.967 -8.532 -2.089 1.00 9.27 N ATOM 21 CA GLN A 2 8.551 -8.712 -1.671 1.00 9.07 C ATOM 22 C GLN A 2 8.264 -7.890 -0.452 1.00 8.72 C ATOM 23 O GLN A 2 9.079 -7.933 0.473 1.00 8.22 O ATOM 24 CB GLN A 2 8.286 -10.177 -1.318 1.00 14.46 C ATOM 25 CG GLN A 2 8.547 -11.092 -2.587 1.00 17.01 C ATOM 26 CD GLN A 2 8.561 -12.614 -2.374 1.00 20.10 C ATOM 27 OE1 GLN A 2 7.554 -13.219 -1.987 1.00 21.89 O ATOM 28 NE2 GLN A 2 9.710 -13.247 -2.645 1.00 19.49 N ATOM 0 H GLN A 2 10.654 -8.836 -1.399 1.00 9.27 H new ATOM 0 HA GLN A 2 7.914 -8.400 -2.499 1.00 9.07 H new ATOM 0 HB2 GLN A 2 8.933 -10.485 -0.497 1.00 14.46 H new ATOM 0 HB3 GLN A 2 7.258 -10.298 -0.976 1.00 14.46 H new ATOM 0 HG2 GLN A 2 7.782 -10.863 -3.329 1.00 17.01 H new ATOM 0 HG3 GLN A 2 9.506 -10.804 -3.018 1.00 17.01 H new ATOM 0 HE21 GLN A 2 10.522 -12.717 -2.962 1.00 19.49 H new ATOM 0 HE22 GLN A 2 9.773 -14.259 -2.534 1.00 19.49 H new ATOM 37 N ILE A 3 7.106 -7.272 -0.361 1.00 5.87 N ATOM 38 CA ILE A 3 6.541 -6.649 0.848 1.00 5.07 C ATOM 39 C ILE A 3 5.175 -7.220 1.134 1.00 4.01 C ATOM 40 O ILE A 3 4.434 -7.616 0.218 1.00 4.61 O ATOM 41 CB ILE A 3 6.272 -5.163 0.622 1.00 6.55 C ATOM 42 CG1 ILE A 3 5.177 -4.757 -0.404 1.00 4.72 C ATOM 43 CG2 ILE A 3 7.671 -4.593 0.243 1.00 5.58 C ATOM 44 CD1 ILE A 3 4.800 -3.325 -0.354 1.00 10.83 C ATOM 0 H ILE A 3 6.488 -7.178 -1.167 1.00 5.87 H new ATOM 0 HA ILE A 3 7.259 -6.825 1.649 1.00 5.07 H new ATOM 0 HB ILE A 3 5.829 -4.748 1.527 1.00 6.55 H new ATOM 0 HG12 ILE A 3 5.530 -4.994 -1.408 1.00 4.72 H new ATOM 0 HG13 ILE A 3 4.288 -5.362 -0.228 1.00 4.72 H new ATOM 0 HG21 ILE A 3 7.590 -3.522 0.058 1.00 5.58 H new ATOM 0 HG22 ILE A 3 8.369 -4.768 1.062 1.00 5.58 H new ATOM 0 HG23 ILE A 3 8.035 -5.090 -0.656 1.00 5.58 H new ATOM 0 HD11 ILE A 3 4.031 -3.125 -1.101 1.00 10.83 H new ATOM 0 HD12 ILE A 3 4.415 -3.085 0.637 1.00 10.83 H new ATOM 0 HD13 ILE A 3 5.676 -2.711 -0.561 1.00 10.83 H new ATOM 56 N PHE A 4 4.765 -7.227 2.405 1.00 4.55 N ATOM 57 CA PHE A 4 3.541 -7.730 2.829 1.00 4.68 C ATOM 58 C PHE A 4 2.559 -6.635 2.984 1.00 5.30 C ATOM 59 O PHE A 4 2.918 -5.591 3.534 1.00 5.58 O ATOM 60 CB PHE A 4 3.748 -8.496 4.165 1.00 4.83 C ATOM 61 CG PHE A 4 4.890 -9.493 4.145 1.00 7.97 C ATOM 62 CD1 PHE A 4 4.962 -10.428 3.126 1.00 6.69 C ATOM 63 CD2 PHE A 4 5.977 -9.483 5.070 1.00 8.34 C ATOM 64 CE1 PHE A 4 6.026 -11.377 3.045 1.00 9.10 C ATOM 65 CE2 PHE A 4 7.021 -10.427 5.000 1.00 10.61 C ATOM 66 CZ PHE A 4 7.025 -11.371 3.994 1.00 8.90 C ATOM 0 H PHE A 4 5.332 -6.857 3.167 1.00 4.55 H new ATOM 0 HA PHE A 4 3.145 -8.419 2.083 1.00 4.68 H new ATOM 0 HB2 PHE A 4 3.927 -7.773 4.960 1.00 4.83 H new ATOM 0 HB3 PHE A 4 2.827 -9.022 4.414 1.00 4.83 H new ATOM 0 HD1 PHE A 4 4.191 -10.440 2.370 1.00 6.69 H new ATOM 0 HD2 PHE A 4 6.000 -8.731 5.845 1.00 8.34 H new ATOM 0 HE1 PHE A 4 6.048 -12.098 2.241 1.00 9.10 H new ATOM 0 HE2 PHE A 4 7.815 -10.411 5.732 1.00 10.61 H new ATOM 0 HZ PHE A 4 7.814 -12.108 3.950 1.00 8.90 H new ATOM 76 N VAL A 5 1.235 -6.861 2.722 1.00 4.44 N ATOM 77 CA VAL A 5 0.235 -5.822 3.079 1.00 3.87 C ATOM 78 C VAL A 5 -0.784 -6.595 3.866 1.00 4.93 C ATOM 79 O VAL A 5 -1.237 -7.704 3.469 1.00 6.84 O ATOM 80 CB VAL A 5 -0.398 -5.005 1.909 1.00 2.99 C ATOM 81 CG1 VAL A 5 -1.262 -3.835 2.471 1.00 5.28 C ATOM 82 CG2 VAL A 5 0.686 -4.420 0.941 1.00 9.13 C ATOM 0 H VAL A 5 0.857 -7.704 2.290 1.00 4.44 H new ATOM 0 HA VAL A 5 0.717 -5.011 3.625 1.00 3.87 H new ATOM 0 HB VAL A 5 -1.023 -5.696 1.343 1.00 2.99 H new ATOM 0 HG11 VAL A 5 -1.697 -3.274 1.644 1.00 5.28 H new ATOM 0 HG12 VAL A 5 -2.059 -4.239 3.095 1.00 5.28 H new ATOM 0 HG13 VAL A 5 -0.634 -3.173 3.068 1.00 5.28 H new ATOM 0 HG21 VAL A 5 0.198 -3.860 0.144 1.00 9.13 H new ATOM 0 HG22 VAL A 5 1.350 -3.757 1.496 1.00 9.13 H new ATOM 0 HG23 VAL A 5 1.266 -5.235 0.509 1.00 9.13 H new ATOM 92 N LYS A 6 -1.159 -6.028 4.993 1.00 6.04 N ATOM 93 CA LYS A 6 -2.110 -6.651 5.872 1.00 6.12 C ATOM 94 C LYS A 6 -3.367 -5.834 5.801 1.00 6.57 C ATOM 95 O LYS A 6 -3.420 -4.656 6.158 1.00 5.76 O ATOM 96 CB LYS A 6 -1.533 -6.761 7.283 1.00 7.45 C ATOM 97 CG LYS A 6 -2.198 -7.994 8.006 1.00 11.12 C ATOM 98 CD LYS A 6 -1.307 -8.379 9.216 1.00 14.54 C ATOM 99 CE LYS A 6 -1.733 -9.627 10.042 1.00 18.84 C ATOM 100 NZ LYS A 6 -2.134 -10.787 9.281 1.00 20.55 N ATOM 0 H LYS A 6 -0.812 -5.126 5.320 1.00 6.04 H new ATOM 0 HA LYS A 6 -2.338 -7.674 5.574 1.00 6.12 H new ATOM 0 HB2 LYS A 6 -0.451 -6.886 7.240 1.00 7.45 H new ATOM 0 HB3 LYS A 6 -1.726 -5.846 7.843 1.00 7.45 H new ATOM 0 HG2 LYS A 6 -3.205 -7.743 8.339 1.00 11.12 H new ATOM 0 HG3 LYS A 6 -2.290 -8.835 7.318 1.00 11.12 H new ATOM 0 HD2 LYS A 6 -0.294 -8.545 8.850 1.00 14.54 H new ATOM 0 HD3 LYS A 6 -1.266 -7.524 9.891 1.00 14.54 H new ATOM 0 HE2 LYS A 6 -0.902 -9.911 10.688 1.00 18.84 H new ATOM 0 HE3 LYS A 6 -2.559 -9.342 10.693 1.00 18.84 H new ATOM 0 HZ1 LYS A 6 -2.085 -11.632 9.885 1.00 20.55 H new ATOM 0 HZ2 LYS A 6 -3.109 -10.660 8.942 1.00 20.55 H new ATOM 0 HZ3 LYS A 6 -1.497 -10.905 8.467 1.00 20.55 H new ATOM 114 N THR A 7 -4.474 -6.377 5.247 1.00 7.41 N ATOM 115 CA THR A 7 -5.766 -5.789 4.870 1.00 7.48 C ATOM 116 C THR A 7 -6.476 -5.180 6.073 1.00 8.75 C ATOM 117 O THR A 7 -6.114 -5.396 7.233 1.00 8.58 O ATOM 118 CB THR A 7 -6.553 -6.650 3.937 1.00 9.61 C ATOM 119 OG1 THR A 7 -7.038 -7.798 4.654 1.00 11.78 O ATOM 120 CG2 THR A 7 -5.804 -7.157 2.718 1.00 9.17 C ATOM 0 H THR A 7 -4.474 -7.373 5.027 1.00 7.41 H new ATOM 0 HA THR A 7 -5.596 -4.920 4.235 1.00 7.48 H new ATOM 0 HB THR A 7 -7.347 -6.003 3.565 1.00 9.61 H new ATOM 0 HG1 THR A 7 -7.557 -8.367 4.048 1.00 11.78 H new ATOM 0 HG21 THR A 7 -6.470 -7.771 2.111 1.00 9.17 H new ATOM 0 HG22 THR A 7 -5.453 -6.310 2.128 1.00 9.17 H new ATOM 0 HG23 THR A 7 -4.951 -7.755 3.038 1.00 9.17 H new ATOM 128 N LEU A 8 -7.615 -4.442 5.837 1.00 9.84 N ATOM 129 CA LEU A 8 -8.380 -3.915 6.963 1.00 14.15 C ATOM 130 C LEU A 8 -8.929 -5.040 7.869 1.00 17.37 C ATOM 131 O LEU A 8 -8.983 -4.892 9.088 1.00 17.01 O ATOM 132 CB LEU A 8 -9.482 -2.894 6.470 1.00 16.63 C ATOM 133 CG LEU A 8 -10.406 -2.266 7.584 1.00 18.88 C ATOM 134 CD1 LEU A 8 -9.614 -1.498 8.644 1.00 19.31 C ATOM 135 CD2 LEU A 8 -11.477 -1.380 6.887 1.00 18.59 C ATOM 0 H LEU A 8 -7.988 -4.221 4.914 1.00 9.84 H new ATOM 0 HA LEU A 8 -7.703 -3.346 7.600 1.00 14.15 H new ATOM 0 HB2 LEU A 8 -8.983 -2.081 5.942 1.00 16.63 H new ATOM 0 HB3 LEU A 8 -10.118 -3.402 5.745 1.00 16.63 H new ATOM 0 HG LEU A 8 -10.899 -3.068 8.133 1.00 18.88 H new ATOM 0 HD11 LEU A 8 -10.300 -1.088 9.385 1.00 19.31 H new ATOM 0 HD12 LEU A 8 -8.912 -2.173 9.134 1.00 19.31 H new ATOM 0 HD13 LEU A 8 -9.064 -0.685 8.169 1.00 19.31 H new ATOM 0 HD21 LEU A 8 -12.128 -0.935 7.640 1.00 18.59 H new ATOM 0 HD22 LEU A 8 -10.983 -0.590 6.322 1.00 18.59 H new ATOM 0 HD23 LEU A 8 -12.072 -1.993 6.210 1.00 18.59 H new ATOM 147 N THR A 9 -9.220 -6.172 7.246 1.00 18.33 N ATOM 148 CA THR A 9 -9.802 -7.328 7.985 1.00 19.24 C ATOM 149 C THR A 9 -8.694 -8.314 8.313 1.00 19.48 C ATOM 150 O THR A 9 -8.941 -9.298 9.079 1.00 23.14 O ATOM 151 CB THR A 9 -10.875 -8.096 7.264 1.00 18.97 C ATOM 152 OG1 THR A 9 -10.449 -8.599 5.993 1.00 20.24 O ATOM 153 CG2 THR A 9 -12.076 -7.190 6.952 1.00 19.70 C ATOM 0 H THR A 9 -9.073 -6.333 6.250 1.00 18.33 H new ATOM 0 HA THR A 9 -10.272 -6.884 8.863 1.00 19.24 H new ATOM 0 HB THR A 9 -11.127 -8.918 7.935 1.00 18.97 H new ATOM 0 HG1 THR A 9 -11.185 -9.090 5.572 1.00 20.24 H new ATOM 0 HG21 THR A 9 -12.840 -7.766 6.430 1.00 19.70 H new ATOM 0 HG22 THR A 9 -12.488 -6.799 7.882 1.00 19.70 H new ATOM 0 HG23 THR A 9 -11.753 -6.361 6.322 1.00 19.70 H new ATOM 161 N GLY A 10 -7.434 -8.018 7.867 1.00 19.43 N ATOM 162 CA GLY A 10 -6.261 -8.573 8.564 1.00 18.74 C ATOM 163 C GLY A 10 -5.529 -9.636 7.869 1.00 17.62 C ATOM 164 O GLY A 10 -4.416 -10.089 8.214 1.00 19.74 O ATOM 0 H GLY A 10 -7.223 -7.425 7.064 1.00 19.43 H new ATOM 0 HA2 GLY A 10 -5.567 -7.757 8.766 1.00 18.74 H new ATOM 0 HA3 GLY A 10 -6.589 -8.959 9.529 1.00 18.74 H new ATOM 168 N LYS A 11 -6.073 -10.024 6.679 1.00 13.56 N ATOM 169 CA LYS A 11 -5.577 -11.063 5.777 1.00 11.91 C ATOM 170 C LYS A 11 -4.250 -10.545 5.179 1.00 10.18 C ATOM 171 O LYS A 11 -4.159 -9.375 4.892 1.00 9.10 O ATOM 172 CB LYS A 11 -6.703 -11.396 4.797 1.00 13.43 C ATOM 173 CG LYS A 11 -6.337 -12.353 3.521 1.00 16.69 C ATOM 174 CD LYS A 11 -7.458 -12.296 2.531 1.00 17.92 C ATOM 175 CE LYS A 11 -7.171 -13.039 1.275 1.00 20.81 C ATOM 176 NZ LYS A 11 -8.424 -12.877 0.492 1.00 21.93 N ATOM 0 H LYS A 11 -6.919 -9.583 6.318 1.00 13.56 H new ATOM 0 HA LYS A 11 -5.329 -12.014 6.249 1.00 11.91 H new ATOM 0 HB2 LYS A 11 -7.506 -11.875 5.357 1.00 13.43 H new ATOM 0 HB3 LYS A 11 -7.101 -10.458 4.410 1.00 13.43 H new ATOM 0 HG2 LYS A 11 -5.408 -12.022 3.057 1.00 16.69 H new ATOM 0 HG3 LYS A 11 -6.180 -13.379 3.853 1.00 16.69 H new ATOM 0 HD2 LYS A 11 -8.359 -12.704 2.989 1.00 17.92 H new ATOM 0 HD3 LYS A 11 -7.667 -11.254 2.289 1.00 17.92 H new ATOM 0 HE2 LYS A 11 -6.311 -12.624 0.749 1.00 20.81 H new ATOM 0 HE3 LYS A 11 -6.950 -14.089 1.469 1.00 20.81 H new ATOM 0 HZ1 LYS A 11 -8.427 -13.550 -0.301 1.00 21.93 H new ATOM 0 HZ2 LYS A 11 -9.243 -13.061 1.106 1.00 21.93 H new ATOM 0 HZ3 LYS A 11 -8.480 -11.906 0.123 1.00 21.93 H new ATOM 190 N THR A 12 -3.182 -11.357 5.062 1.00 9.63 N ATOM 191 CA THR A 12 -1.832 -10.984 4.571 1.00 9.85 C ATOM 192 C THR A 12 -1.730 -11.358 3.147 1.00 11.66 C ATOM 193 O THR A 12 -1.674 -12.533 2.778 1.00 12.33 O ATOM 194 CB THR A 12 -0.613 -11.534 5.312 1.00 10.85 C ATOM 195 OG1 THR A 12 -0.804 -11.442 6.693 1.00 10.91 O ATOM 196 CG2 THR A 12 0.691 -10.725 5.014 1.00 9.63 C ATOM 0 H THR A 12 -3.235 -12.343 5.319 1.00 9.63 H new ATOM 0 HA THR A 12 -1.778 -9.911 4.756 1.00 9.85 H new ATOM 0 HB THR A 12 -0.504 -12.563 4.970 1.00 10.85 H new ATOM 0 HG1 THR A 12 -0.018 -11.799 7.156 1.00 10.91 H new ATOM 0 HG21 THR A 12 1.524 -11.160 5.567 1.00 9.63 H new ATOM 0 HG22 THR A 12 0.906 -10.762 3.946 1.00 9.63 H new ATOM 0 HG23 THR A 12 0.554 -9.688 5.321 1.00 9.63 H new ATOM 204 N ILE A 13 -1.566 -10.349 2.284 1.00 10.42 N ATOM 205 CA ILE A 13 -1.284 -10.527 0.869 1.00 11.84 C ATOM 206 C ILE A 13 0.207 -10.056 0.648 1.00 10.55 C ATOM 207 O ILE A 13 0.747 -9.366 1.543 1.00 11.92 O ATOM 208 CB ILE A 13 -2.246 -9.729 -0.003 1.00 14.86 C ATOM 209 CG1 ILE A 13 -2.268 -8.236 0.405 1.00 14.87 C ATOM 210 CG2 ILE A 13 -3.651 -10.361 0.089 1.00 17.08 C ATOM 211 CD1 ILE A 13 -2.827 -7.389 -0.771 1.00 16.46 C ATOM 0 H ILE A 13 -1.628 -9.370 2.562 1.00 10.42 H new ATOM 0 HA ILE A 13 -1.415 -11.570 0.581 1.00 11.84 H new ATOM 0 HB ILE A 13 -1.907 -9.765 -1.038 1.00 14.86 H new ATOM 0 HG12 ILE A 13 -2.886 -8.099 1.292 1.00 14.87 H new ATOM 0 HG13 ILE A 13 -1.263 -7.903 0.662 1.00 14.87 H new ATOM 0 HG21 ILE A 13 -4.346 -9.796 -0.532 1.00 17.08 H new ATOM 0 HG22 ILE A 13 -3.609 -11.393 -0.260 1.00 17.08 H new ATOM 0 HG23 ILE A 13 -3.992 -10.341 1.124 1.00 17.08 H new ATOM 0 HD11 ILE A 13 -2.844 -6.337 -0.486 1.00 16.46 H new ATOM 0 HD12 ILE A 13 -2.191 -7.518 -1.647 1.00 16.46 H new ATOM 0 HD13 ILE A 13 -3.839 -7.717 -1.007 1.00 16.46 H new ATOM 223 N THR A 14 0.900 -10.637 -0.386 1.00 9.39 N ATOM 224 CA THR A 14 2.309 -10.409 -0.705 1.00 9.63 C ATOM 225 C THR A 14 2.369 -9.826 -2.088 1.00 11.20 C ATOM 226 O THR A 14 1.669 -10.366 -2.965 1.00 11.63 O ATOM 227 CB THR A 14 3.149 -11.631 -0.772 1.00 10.38 C ATOM 228 OG1 THR A 14 3.185 -12.310 0.506 1.00 16.30 O ATOM 229 CG2 THR A 14 4.647 -11.300 -1.026 1.00 11.66 C ATOM 0 H THR A 14 0.457 -11.295 -1.027 1.00 9.39 H new ATOM 0 HA THR A 14 2.692 -9.776 0.096 1.00 9.63 H new ATOM 0 HB THR A 14 2.707 -12.225 -1.572 1.00 10.38 H new ATOM 0 HG1 THR A 14 3.743 -13.112 0.435 1.00 16.30 H new ATOM 0 HG21 THR A 14 5.222 -12.225 -1.067 1.00 11.66 H new ATOM 0 HG22 THR A 14 4.747 -10.768 -1.972 1.00 11.66 H new ATOM 0 HG23 THR A 14 5.024 -10.674 -0.217 1.00 11.66 H new ATOM 237 N LEU A 15 3.102 -8.759 -2.308 1.00 8.29 N ATOM 238 CA LEU A 15 3.294 -8.038 -3.556 1.00 9.03 C ATOM 239 C LEU A 15 4.808 -8.001 -3.939 1.00 8.59 C ATOM 240 O LEU A 15 5.757 -7.994 -3.141 1.00 7.79 O ATOM 241 CB LEU A 15 2.941 -6.581 -3.379 1.00 11.08 C ATOM 242 CG LEU A 15 1.533 -6.367 -2.761 1.00 15.79 C ATOM 243 CD1 LEU A 15 1.239 -4.844 -2.731 1.00 15.88 C ATOM 244 CD2 LEU A 15 0.404 -7.174 -3.453 1.00 15.27 C ATOM 0 H LEU A 15 3.631 -8.330 -1.549 1.00 8.29 H new ATOM 0 HA LEU A 15 2.678 -8.541 -4.301 1.00 9.03 H new ATOM 0 HB2 LEU A 15 3.687 -6.107 -2.741 1.00 11.08 H new ATOM 0 HB3 LEU A 15 2.986 -6.082 -4.347 1.00 11.08 H new ATOM 0 HG LEU A 15 1.546 -6.765 -1.746 1.00 15.79 H new ATOM 0 HD11 LEU A 15 0.253 -4.672 -2.300 1.00 15.88 H new ATOM 0 HD12 LEU A 15 1.993 -4.340 -2.126 1.00 15.88 H new ATOM 0 HD13 LEU A 15 1.265 -4.448 -3.746 1.00 15.88 H new ATOM 0 HD21 LEU A 15 -0.546 -6.967 -2.960 1.00 15.27 H new ATOM 0 HD22 LEU A 15 0.339 -6.884 -4.502 1.00 15.27 H new ATOM 0 HD23 LEU A 15 0.624 -8.239 -3.384 1.00 15.27 H new ATOM 256 N GLU A 16 5.002 -8.061 -5.255 1.00 11.04 N ATOM 257 CA GLU A 16 6.355 -8.030 -5.740 1.00 11.50 C ATOM 258 C GLU A 16 6.619 -6.697 -6.427 1.00 10.13 C ATOM 259 O GLU A 16 5.874 -6.231 -7.336 1.00 9.83 O ATOM 260 CB GLU A 16 6.546 -9.255 -6.718 1.00 17.22 C ATOM 261 CG GLU A 16 7.987 -9.567 -7.111 1.00 23.33 C ATOM 262 CD GLU A 16 8.094 -10.836 -7.942 1.00 26.99 C ATOM 263 OE1 GLU A 16 7.579 -11.931 -7.586 1.00 28.86 O ATOM 264 OE2 GLU A 16 8.756 -10.772 -9.006 1.00 28.90 O ATOM 0 H GLU A 16 4.272 -8.128 -5.964 1.00 11.04 H new ATOM 0 HA GLU A 16 7.074 -8.117 -4.925 1.00 11.50 H new ATOM 0 HB2 GLU A 16 6.116 -10.141 -6.250 1.00 17.22 H new ATOM 0 HB3 GLU A 16 5.974 -9.065 -7.626 1.00 17.22 H new ATOM 0 HG2 GLU A 16 8.397 -8.730 -7.675 1.00 23.33 H new ATOM 0 HG3 GLU A 16 8.593 -9.672 -6.211 1.00 23.33 H new ATOM 271 N VAL A 17 7.683 -6.023 -5.869 1.00 8.99 N ATOM 272 CA VAL A 17 8.039 -4.623 -5.995 1.00 8.85 C ATOM 273 C VAL A 17 9.509 -4.409 -5.909 1.00 8.04 C ATOM 274 O VAL A 17 10.278 -5.189 -5.343 1.00 8.99 O ATOM 275 CB VAL A 17 7.419 -3.751 -4.937 1.00 9.78 C ATOM 276 CG1 VAL A 17 5.952 -3.530 -5.285 1.00 12.05 C ATOM 277 CG2 VAL A 17 7.703 -4.224 -3.554 1.00 10.54 C ATOM 0 H VAL A 17 8.349 -6.517 -5.276 1.00 8.99 H new ATOM 0 HA VAL A 17 7.657 -4.343 -6.976 1.00 8.85 H new ATOM 0 HB VAL A 17 7.890 -2.768 -4.933 1.00 9.78 H new ATOM 0 HG11 VAL A 17 5.489 -2.899 -4.526 1.00 12.05 H new ATOM 0 HG12 VAL A 17 5.878 -3.042 -6.257 1.00 12.05 H new ATOM 0 HG13 VAL A 17 5.438 -4.490 -5.321 1.00 12.05 H new ATOM 0 HG21 VAL A 17 7.229 -3.554 -2.836 1.00 10.54 H new ATOM 0 HG22 VAL A 17 7.308 -5.232 -3.426 1.00 10.54 H new ATOM 0 HG23 VAL A 17 8.780 -4.233 -3.386 1.00 10.54 H new ATOM 287 N GLU A 18 9.968 -3.230 -6.442 1.00 7.29 N ATOM 288 CA GLU A 18 11.244 -2.614 -6.263 1.00 7.08 C ATOM 289 C GLU A 18 10.988 -1.452 -5.281 1.00 6.45 C ATOM 290 O GLU A 18 9.889 -0.941 -5.173 1.00 5.28 O ATOM 291 CB GLU A 18 11.945 -2.291 -7.647 1.00 10.28 C ATOM 292 CG GLU A 18 12.097 -3.555 -8.581 1.00 12.65 C ATOM 293 CD GLU A 18 13.014 -4.629 -8.056 1.00 14.15 C ATOM 294 OE1 GLU A 18 14.182 -4.279 -7.631 1.00 14.33 O ATOM 295 OE2 GLU A 18 12.725 -5.829 -8.057 1.00 18.17 O ATOM 0 H GLU A 18 9.372 -2.672 -7.053 1.00 7.29 H new ATOM 0 HA GLU A 18 12.002 -3.259 -5.818 1.00 7.08 H new ATOM 0 HB2 GLU A 18 11.367 -1.529 -8.170 1.00 10.28 H new ATOM 0 HB3 GLU A 18 12.931 -1.868 -7.457 1.00 10.28 H new ATOM 0 HG2 GLU A 18 11.110 -3.989 -8.744 1.00 12.65 H new ATOM 0 HG3 GLU A 18 12.465 -3.227 -9.553 1.00 12.65 H new ATOM 302 N PRO A 19 12.093 -0.949 -4.725 1.00 7.24 N ATOM 303 CA PRO A 19 12.121 0.299 -3.940 1.00 7.07 C ATOM 304 C PRO A 19 11.686 1.510 -4.706 1.00 6.65 C ATOM 305 O PRO A 19 11.329 2.521 -4.108 1.00 6.37 O ATOM 306 CB PRO A 19 13.554 0.494 -3.484 1.00 7.61 C ATOM 307 CG PRO A 19 13.910 -1.020 -3.355 1.00 8.16 C ATOM 308 CD PRO A 19 13.331 -1.657 -4.580 1.00 7.49 C ATOM 0 HA PRO A 19 11.416 0.198 -3.115 1.00 7.07 H new ATOM 0 HB2 PRO A 19 14.170 1.021 -4.212 1.00 7.61 H new ATOM 0 HB3 PRO A 19 13.637 1.038 -2.543 1.00 7.61 H new ATOM 0 HG2 PRO A 19 14.989 -1.169 -3.304 1.00 8.16 H new ATOM 0 HG3 PRO A 19 13.485 -1.450 -2.448 1.00 8.16 H new ATOM 0 HD2 PRO A 19 13.977 -1.532 -5.449 1.00 7.49 H new ATOM 0 HD3 PRO A 19 13.176 -2.728 -4.449 1.00 7.49 H new ATOM 316 N SER A 20 11.765 1.499 -6.044 1.00 6.80 N ATOM 317 CA SER A 20 11.479 2.530 -6.978 1.00 6.28 C ATOM 318 C SER A 20 10.037 2.499 -7.400 1.00 8.45 C ATOM 319 O SER A 20 9.553 3.379 -8.147 1.00 7.26 O ATOM 320 CB SER A 20 12.426 2.423 -8.152 1.00 8.57 C ATOM 321 OG SER A 20 12.371 1.156 -8.745 1.00 11.13 O ATOM 0 H SER A 20 12.070 0.654 -6.526 1.00 6.80 H new ATOM 0 HA SER A 20 11.635 3.499 -6.504 1.00 6.28 H new ATOM 0 HB2 SER A 20 12.176 3.183 -8.892 1.00 8.57 H new ATOM 0 HB3 SER A 20 13.444 2.625 -7.819 1.00 8.57 H new ATOM 0 HG SER A 20 12.994 1.121 -9.501 1.00 11.13 H new ATOM 327 N ASP A 21 9.282 1.489 -6.977 1.00 7.50 N ATOM 328 CA ASP A 21 7.886 1.385 -7.239 1.00 7.70 C ATOM 329 C ASP A 21 7.143 2.519 -6.586 1.00 7.08 C ATOM 330 O ASP A 21 7.491 2.856 -5.418 1.00 8.11 O ATOM 331 CB ASP A 21 7.287 0.045 -6.960 1.00 11.00 C ATOM 332 CG ASP A 21 7.459 -0.888 -8.157 1.00 15.32 C ATOM 333 OD1 ASP A 21 6.800 -0.672 -9.194 1.00 18.03 O ATOM 334 OD2 ASP A 21 8.476 -1.715 -8.104 1.00 14.36 O ATOM 0 H ASP A 21 9.652 0.711 -6.431 1.00 7.50 H new ATOM 0 HA ASP A 21 7.771 1.479 -8.319 1.00 7.70 H new ATOM 0 HB2 ASP A 21 7.760 -0.393 -6.081 1.00 11.00 H new ATOM 0 HB3 ASP A 21 6.227 0.156 -6.730 1.00 11.00 H new ATOM 339 N THR A 22 6.137 3.146 -7.235 1.00 5.37 N ATOM 340 CA THR A 22 5.421 4.179 -6.472 1.00 6.01 C ATOM 341 C THR A 22 4.363 3.632 -5.548 1.00 8.01 C ATOM 342 O THR A 22 4.149 2.426 -5.560 1.00 8.11 O ATOM 343 CB THR A 22 4.709 5.196 -7.327 1.00 8.92 C ATOM 344 OG1 THR A 22 3.880 4.559 -8.302 1.00 10.22 O ATOM 345 CG2 THR A 22 5.794 5.963 -8.087 1.00 9.65 C ATOM 0 H THR A 22 5.827 2.977 -8.192 1.00 5.37 H new ATOM 0 HA THR A 22 6.234 4.641 -5.912 1.00 6.01 H new ATOM 0 HB THR A 22 4.089 5.834 -6.697 1.00 8.92 H new ATOM 0 HG1 THR A 22 3.428 5.240 -8.842 1.00 10.22 H new ATOM 0 HG21 THR A 22 5.329 6.715 -8.724 1.00 9.65 H new ATOM 0 HG22 THR A 22 6.460 6.451 -7.376 1.00 9.65 H new ATOM 0 HG23 THR A 22 6.366 5.269 -8.703 1.00 9.65 H new ATOM 353 N ILE A 23 3.768 4.418 -4.632 1.00 8.32 N ATOM 354 CA ILE A 23 2.647 3.958 -3.806 1.00 9.92 C ATOM 355 C ILE A 23 1.433 3.611 -4.693 1.00 10.01 C ATOM 356 O ILE A 23 0.661 2.673 -4.462 1.00 8.71 O ATOM 357 CB ILE A 23 2.330 4.954 -2.741 1.00 10.78 C ATOM 358 CG1 ILE A 23 3.516 5.275 -1.836 1.00 11.38 C ATOM 359 CG2 ILE A 23 1.058 4.408 -1.980 1.00 10.90 C ATOM 360 CD1 ILE A 23 3.981 4.136 -0.976 1.00 12.30 C ATOM 0 H ILE A 23 4.051 5.381 -4.448 1.00 8.32 H new ATOM 0 HA ILE A 23 2.932 3.040 -3.291 1.00 9.92 H new ATOM 0 HB ILE A 23 2.107 5.927 -3.179 1.00 10.78 H new ATOM 0 HG12 ILE A 23 4.349 5.606 -2.457 1.00 11.38 H new ATOM 0 HG13 ILE A 23 3.246 6.112 -1.191 1.00 11.38 H new ATOM 0 HG21 ILE A 23 0.783 5.103 -1.187 1.00 10.90 H new ATOM 0 HG22 ILE A 23 0.229 4.310 -2.681 1.00 10.90 H new ATOM 0 HG23 ILE A 23 1.284 3.434 -1.547 1.00 10.90 H new ATOM 0 HD11 ILE A 23 4.826 4.460 -0.369 1.00 12.30 H new ATOM 0 HD12 ILE A 23 3.168 3.816 -0.324 1.00 12.30 H new ATOM 0 HD13 ILE A 23 4.287 3.303 -1.609 1.00 12.30 H new ATOM 372 N GLU A 24 1.222 4.378 -5.753 1.00 9.54 N ATOM 373 CA GLU A 24 0.232 4.178 -6.806 1.00 11.81 C ATOM 374 C GLU A 24 0.342 2.841 -7.519 1.00 11.14 C ATOM 375 O GLU A 24 -0.632 2.090 -7.749 1.00 10.62 O ATOM 376 CB GLU A 24 0.245 5.365 -7.816 1.00 19.24 C ATOM 377 CG GLU A 24 -0.668 5.136 -9.080 1.00 27.76 C ATOM 378 CD GLU A 24 -0.714 6.487 -9.810 1.00 32.92 C ATOM 379 OE1 GLU A 24 0.362 7.118 -9.980 1.00 36.51 O ATOM 380 OE2 GLU A 24 -1.787 7.044 -10.184 1.00 34.80 O ATOM 0 H GLU A 24 1.778 5.218 -5.913 1.00 9.54 H new ATOM 0 HA GLU A 24 -0.734 4.154 -6.302 1.00 11.81 H new ATOM 0 HB2 GLU A 24 -0.081 6.270 -7.303 1.00 19.24 H new ATOM 0 HB3 GLU A 24 1.269 5.538 -8.146 1.00 19.24 H new ATOM 0 HG2 GLU A 24 -0.258 4.357 -9.723 1.00 27.76 H new ATOM 0 HG3 GLU A 24 -1.668 4.815 -8.788 1.00 27.76 H new ATOM 387 N ASN A 25 1.598 2.318 -7.719 1.00 9.43 N ATOM 388 CA ASN A 25 1.815 1.031 -8.283 1.00 10.96 C ATOM 389 C ASN A 25 1.463 -0.064 -7.234 1.00 9.68 C ATOM 390 O ASN A 25 0.791 -1.076 -7.569 1.00 9.33 O ATOM 391 CB ASN A 25 3.294 0.745 -8.685 1.00 16.78 C ATOM 392 CG ASN A 25 3.600 1.212 -10.140 1.00 22.31 C ATOM 393 OD1 ASN A 25 2.844 1.976 -10.781 1.00 25.66 O ATOM 394 ND2 ASN A 25 4.721 0.746 -10.618 1.00 24.70 N ATOM 0 H ASN A 25 2.457 2.813 -7.478 1.00 9.43 H new ATOM 0 HA ASN A 25 1.189 1.011 -9.175 1.00 10.96 H new ATOM 0 HB2 ASN A 25 3.964 1.254 -7.992 1.00 16.78 H new ATOM 0 HB3 ASN A 25 3.495 -0.323 -8.596 1.00 16.78 H new ATOM 0 HD21 ASN A 25 5.020 1.002 -11.559 1.00 24.70 H new ATOM 0 HD22 ASN A 25 5.299 0.126 -10.051 1.00 24.70 H new ATOM 401 N VAL A 26 1.835 0.155 -5.971 1.00 6.52 N ATOM 402 CA VAL A 26 1.438 -0.666 -4.878 1.00 5.53 C ATOM 403 C VAL A 26 -0.040 -0.840 -4.817 1.00 4.42 C ATOM 404 O VAL A 26 -0.492 -1.976 -4.749 1.00 3.40 O ATOM 405 CB VAL A 26 2.015 -0.162 -3.480 1.00 3.86 C ATOM 406 CG1 VAL A 26 1.472 -1.005 -2.255 1.00 7.25 C ATOM 407 CG2 VAL A 26 3.537 -0.390 -3.573 1.00 8.12 C ATOM 0 H VAL A 26 2.435 0.933 -5.697 1.00 6.52 H new ATOM 0 HA VAL A 26 1.881 -1.644 -5.067 1.00 5.53 H new ATOM 0 HB VAL A 26 1.722 0.874 -3.310 1.00 3.86 H new ATOM 0 HG11 VAL A 26 1.898 -0.618 -1.329 1.00 7.25 H new ATOM 0 HG12 VAL A 26 0.385 -0.929 -2.214 1.00 7.25 H new ATOM 0 HG13 VAL A 26 1.758 -2.050 -2.377 1.00 7.25 H new ATOM 0 HG21 VAL A 26 4.011 -0.067 -2.646 1.00 8.12 H new ATOM 0 HG22 VAL A 26 3.737 -1.449 -3.733 1.00 8.12 H new ATOM 0 HG23 VAL A 26 3.941 0.185 -4.406 1.00 8.12 H new ATOM 417 N LYS A 27 -0.874 0.244 -4.927 1.00 2.64 N ATOM 418 CA LYS A 27 -2.329 0.165 -5.087 1.00 4.14 C ATOM 419 C LYS A 27 -2.975 -0.540 -6.306 1.00 5.58 C ATOM 420 O LYS A 27 -3.963 -1.246 -6.248 1.00 4.11 O ATOM 421 CB LYS A 27 -3.044 1.546 -5.130 1.00 3.97 C ATOM 422 CG LYS A 27 -2.802 2.406 -3.902 1.00 7.45 C ATOM 423 CD LYS A 27 -3.710 3.642 -3.842 1.00 9.02 C ATOM 424 CE LYS A 27 -3.593 4.426 -2.574 1.00 12.90 C ATOM 425 NZ LYS A 27 -4.466 5.669 -2.662 1.00 15.47 N ATOM 0 H LYS A 27 -0.528 1.203 -4.904 1.00 2.64 H new ATOM 0 HA LYS A 27 -2.475 -0.448 -4.198 1.00 4.14 H new ATOM 0 HB2 LYS A 27 -2.709 2.090 -6.013 1.00 3.97 H new ATOM 0 HB3 LYS A 27 -4.116 1.385 -5.243 1.00 3.97 H new ATOM 0 HG2 LYS A 27 -2.960 1.803 -3.007 1.00 7.45 H new ATOM 0 HG3 LYS A 27 -1.760 2.727 -3.891 1.00 7.45 H new ATOM 0 HD2 LYS A 27 -3.473 4.294 -4.683 1.00 9.02 H new ATOM 0 HD3 LYS A 27 -4.745 3.325 -3.966 1.00 9.02 H new ATOM 0 HE2 LYS A 27 -3.899 3.813 -1.726 1.00 12.90 H new ATOM 0 HE3 LYS A 27 -2.554 4.710 -2.404 1.00 12.90 H new ATOM 0 HZ1 LYS A 27 -4.960 5.811 -1.758 1.00 15.47 H new ATOM 0 HZ2 LYS A 27 -3.871 6.497 -2.866 1.00 15.47 H new ATOM 0 HZ3 LYS A 27 -5.165 5.549 -3.423 1.00 15.47 H new ATOM 439 N ALA A 28 -2.329 -0.350 -7.521 1.00 6.61 N ATOM 440 CA ALA A 28 -2.709 -1.277 -8.616 1.00 7.74 C ATOM 441 C ALA A 28 -2.604 -2.757 -8.326 1.00 9.17 C ATOM 442 O ALA A 28 -3.552 -3.487 -8.539 1.00 11.45 O ATOM 443 CB ALA A 28 -1.708 -1.016 -9.778 1.00 7.68 C ATOM 0 H ALA A 28 -1.625 0.357 -7.735 1.00 6.61 H new ATOM 0 HA ALA A 28 -3.761 -1.074 -8.814 1.00 7.74 H new ATOM 0 HB1 ALA A 28 -1.942 -1.674 -10.615 1.00 7.68 H new ATOM 0 HB2 ALA A 28 -1.787 0.022 -10.100 1.00 7.68 H new ATOM 0 HB3 ALA A 28 -0.692 -1.213 -9.434 1.00 7.68 H new ATOM 449 N LYS A 29 -1.500 -3.156 -7.674 1.00 8.96 N ATOM 450 CA LYS A 29 -1.194 -4.495 -7.195 1.00 7.90 C ATOM 451 C LYS A 29 -2.085 -4.943 -6.018 1.00 6.92 C ATOM 452 O LYS A 29 -2.327 -6.123 -5.915 1.00 6.87 O ATOM 453 CB LYS A 29 0.297 -4.657 -6.776 1.00 10.28 C ATOM 454 CG LYS A 29 1.255 -4.326 -7.950 1.00 14.94 C ATOM 455 CD LYS A 29 2.721 -4.214 -7.476 1.00 19.69 C ATOM 456 CE LYS A 29 3.677 -3.533 -8.402 1.00 22.63 C ATOM 457 NZ LYS A 29 3.665 -4.312 -9.669 1.00 24.98 N ATOM 0 H LYS A 29 -0.751 -2.498 -7.457 1.00 8.96 H new ATOM 0 HA LYS A 29 -1.401 -5.136 -8.052 1.00 7.90 H new ATOM 0 HB2 LYS A 29 0.513 -4.001 -5.933 1.00 10.28 H new ATOM 0 HB3 LYS A 29 0.473 -5.678 -6.438 1.00 10.28 H new ATOM 0 HG2 LYS A 29 1.177 -5.101 -8.713 1.00 14.94 H new ATOM 0 HG3 LYS A 29 0.950 -3.389 -8.415 1.00 14.94 H new ATOM 0 HD2 LYS A 29 2.731 -3.682 -6.525 1.00 19.69 H new ATOM 0 HD3 LYS A 29 3.093 -5.220 -7.282 1.00 19.69 H new ATOM 0 HE2 LYS A 29 3.377 -2.500 -8.579 1.00 22.63 H new ATOM 0 HE3 LYS A 29 4.679 -3.505 -7.973 1.00 22.63 H new ATOM 0 HZ1 LYS A 29 4.435 -3.983 -10.286 1.00 24.98 H new ATOM 0 HZ2 LYS A 29 3.798 -5.321 -9.457 1.00 24.98 H new ATOM 0 HZ3 LYS A 29 2.753 -4.177 -10.151 1.00 24.98 H new ATOM 471 N ILE A 30 -2.537 -4.046 -5.121 1.00 4.57 N ATOM 472 CA ILE A 30 -3.637 -4.289 -4.144 1.00 5.58 C ATOM 473 C ILE A 30 -4.963 -4.568 -4.784 1.00 7.26 C ATOM 474 O ILE A 30 -5.708 -5.396 -4.385 1.00 9.46 O ATOM 475 CB ILE A 30 -3.693 -3.238 -3.110 1.00 5.36 C ATOM 476 CG1 ILE A 30 -2.465 -3.339 -2.106 1.00 2.94 C ATOM 477 CG2 ILE A 30 -5.000 -3.311 -2.328 1.00 2.78 C ATOM 478 CD1 ILE A 30 -2.203 -1.909 -1.471 1.00 2.00 C ATOM 0 H ILE A 30 -2.144 -3.108 -5.047 1.00 4.57 H new ATOM 0 HA ILE A 30 -3.388 -5.217 -3.630 1.00 5.58 H new ATOM 0 HB ILE A 30 -3.639 -2.280 -3.626 1.00 5.36 H new ATOM 0 HG12 ILE A 30 -2.677 -4.066 -1.322 1.00 2.94 H new ATOM 0 HG13 ILE A 30 -1.576 -3.687 -2.632 1.00 2.94 H new ATOM 0 HG21 ILE A 30 -5.016 -2.526 -1.572 1.00 2.78 H new ATOM 0 HG22 ILE A 30 -5.840 -3.176 -3.010 1.00 2.78 H new ATOM 0 HG23 ILE A 30 -5.080 -4.284 -1.842 1.00 2.78 H new ATOM 0 HD11 ILE A 30 -1.362 -1.966 -0.780 1.00 2.00 H new ATOM 0 HD12 ILE A 30 -1.974 -1.196 -2.263 1.00 2.00 H new ATOM 0 HD13 ILE A 30 -3.093 -1.581 -0.933 1.00 2.00 H new ATOM 490 N GLN A 31 -5.326 -3.896 -5.895 1.00 7.06 N ATOM 491 CA GLN A 31 -6.546 -4.085 -6.615 1.00 8.67 C ATOM 492 C GLN A 31 -6.597 -5.444 -7.346 1.00 10.90 C ATOM 493 O GLN A 31 -7.628 -6.152 -7.364 1.00 9.63 O ATOM 494 CB GLN A 31 -6.792 -2.878 -7.558 1.00 9.12 C ATOM 495 CG GLN A 31 -8.194 -2.872 -8.239 1.00 10.76 C ATOM 496 CD GLN A 31 -8.280 -3.809 -9.446 1.00 13.78 C ATOM 497 OE1 GLN A 31 -9.197 -4.641 -9.568 1.00 14.48 O ATOM 498 NE2 GLN A 31 -7.342 -3.526 -10.408 1.00 14.76 N ATOM 0 H GLN A 31 -4.731 -3.180 -6.312 1.00 7.06 H new ATOM 0 HA GLN A 31 -7.367 -4.122 -5.899 1.00 8.67 H new ATOM 0 HB2 GLN A 31 -6.674 -1.956 -6.988 1.00 9.12 H new ATOM 0 HB3 GLN A 31 -6.025 -2.874 -8.332 1.00 9.12 H new ATOM 0 HG2 GLN A 31 -8.948 -3.162 -7.507 1.00 10.76 H new ATOM 0 HG3 GLN A 31 -8.432 -1.857 -8.557 1.00 10.76 H new ATOM 0 HE21 GLN A 31 -6.621 -2.828 -10.227 1.00 14.76 H new ATOM 0 HE22 GLN A 31 -7.366 -4.014 -11.303 1.00 14.76 H new ATOM 507 N ASP A 32 -5.490 -5.833 -7.929 1.00 10.93 N ATOM 508 CA ASP A 32 -5.303 -7.123 -8.588 1.00 14.01 C ATOM 509 C ASP A 32 -5.489 -8.319 -7.639 1.00 14.04 C ATOM 510 O ASP A 32 -6.121 -9.303 -7.974 1.00 13.39 O ATOM 511 CB ASP A 32 -4.094 -7.080 -9.489 1.00 18.01 C ATOM 512 CG ASP A 32 -3.805 -8.404 -10.212 1.00 24.33 C ATOM 513 OD1 ASP A 32 -4.731 -8.961 -10.897 1.00 26.29 O ATOM 514 OD2 ASP A 32 -2.614 -8.839 -10.226 1.00 25.17 O ATOM 0 H ASP A 32 -4.657 -5.245 -7.964 1.00 10.93 H new ATOM 0 HA ASP A 32 -6.119 -7.321 -9.283 1.00 14.01 H new ATOM 0 HB2 ASP A 32 -4.236 -6.296 -10.232 1.00 18.01 H new ATOM 0 HB3 ASP A 32 -3.222 -6.804 -8.896 1.00 18.01 H new ATOM 519 N LYS A 33 -4.940 -8.237 -6.358 1.00 14.22 N ATOM 520 CA LYS A 33 -5.120 -9.269 -5.336 1.00 14.00 C ATOM 521 C LYS A 33 -6.543 -9.311 -4.736 1.00 12.37 C ATOM 522 O LYS A 33 -7.150 -10.398 -4.631 1.00 12.17 O ATOM 523 CB LYS A 33 -4.181 -9.017 -4.136 1.00 18.62 C ATOM 524 CG LYS A 33 -2.685 -9.162 -4.520 1.00 24.00 C ATOM 525 CD LYS A 33 -2.189 -10.632 -4.435 1.00 27.61 C ATOM 526 CE LYS A 33 -0.745 -10.920 -4.772 1.00 27.64 C ATOM 527 NZ LYS A 33 -0.396 -12.341 -4.359 1.00 30.06 N ATOM 0 H LYS A 33 -4.373 -7.449 -6.046 1.00 14.22 H new ATOM 0 HA LYS A 33 -4.909 -10.204 -5.855 1.00 14.00 H new ATOM 0 HB2 LYS A 33 -4.358 -8.016 -3.743 1.00 18.62 H new ATOM 0 HB3 LYS A 33 -4.419 -9.720 -3.337 1.00 18.62 H new ATOM 0 HG2 LYS A 33 -2.536 -8.789 -5.533 1.00 24.00 H new ATOM 0 HG3 LYS A 33 -2.082 -8.539 -3.859 1.00 24.00 H new ATOM 0 HD2 LYS A 33 -2.371 -10.986 -3.420 1.00 27.61 H new ATOM 0 HD3 LYS A 33 -2.812 -11.232 -5.099 1.00 27.61 H new ATOM 0 HE2 LYS A 33 -0.578 -10.790 -5.841 1.00 27.64 H new ATOM 0 HE3 LYS A 33 -0.094 -10.212 -4.260 1.00 27.64 H new ATOM 0 HZ1 LYS A 33 0.599 -12.536 -4.592 1.00 30.06 H new ATOM 0 HZ2 LYS A 33 -0.539 -12.450 -3.335 1.00 30.06 H new ATOM 0 HZ3 LYS A 33 -1.008 -13.011 -4.867 1.00 30.06 H new ATOM 541 N GLU A 34 -7.031 -8.115 -4.316 1.00 10.11 N ATOM 542 CA GLU A 34 -8.112 -7.963 -3.406 1.00 10.07 C ATOM 543 C GLU A 34 -9.273 -7.153 -3.907 1.00 9.32 C ATOM 544 O GLU A 34 -10.331 -7.224 -3.331 1.00 11.61 O ATOM 545 CB GLU A 34 -7.674 -7.265 -2.106 1.00 14.77 C ATOM 546 CG GLU A 34 -7.002 -8.253 -1.083 1.00 18.75 C ATOM 547 CD GLU A 34 -7.983 -9.223 -0.397 1.00 22.28 C ATOM 548 OE1 GLU A 34 -8.970 -8.687 0.191 1.00 21.95 O ATOM 549 OE2 GLU A 34 -7.927 -10.460 -0.435 1.00 25.19 O ATOM 0 H GLU A 34 -6.646 -7.225 -4.632 1.00 10.11 H new ATOM 0 HA GLU A 34 -8.429 -8.995 -3.255 1.00 10.07 H new ATOM 0 HB2 GLU A 34 -6.973 -6.465 -2.346 1.00 14.77 H new ATOM 0 HB3 GLU A 34 -8.541 -6.799 -1.639 1.00 14.77 H new ATOM 0 HG2 GLU A 34 -6.241 -8.834 -1.604 1.00 18.75 H new ATOM 0 HG3 GLU A 34 -6.490 -7.671 -0.317 1.00 18.75 H new ATOM 556 N GLY A 35 -9.194 -6.499 -5.035 1.00 7.22 N ATOM 557 CA GLY A 35 -10.348 -5.895 -5.714 1.00 6.29 C ATOM 558 C GLY A 35 -10.664 -4.528 -5.135 1.00 6.93 C ATOM 559 O GLY A 35 -11.816 -4.151 -5.289 1.00 7.41 O ATOM 0 H GLY A 35 -8.314 -6.359 -5.532 1.00 7.22 H new ATOM 0 HA2 GLY A 35 -10.140 -5.803 -6.780 1.00 6.29 H new ATOM 0 HA3 GLY A 35 -11.216 -6.546 -5.613 1.00 6.29 H new ATOM 563 N ILE A 36 -9.791 -3.686 -4.499 1.00 5.86 N ATOM 564 CA ILE A 36 -10.245 -2.368 -4.057 1.00 6.07 C ATOM 565 C ILE A 36 -9.745 -1.333 -5.055 1.00 6.36 C ATOM 566 O ILE A 36 -8.526 -1.343 -5.227 1.00 6.18 O ATOM 567 CB ILE A 36 -9.709 -2.035 -2.641 1.00 7.47 C ATOM 568 CG1 ILE A 36 -9.641 -3.270 -1.649 1.00 8.52 C ATOM 569 CG2 ILE A 36 -10.552 -0.852 -2.191 1.00 7.36 C ATOM 570 CD1 ILE A 36 -8.825 -2.834 -0.371 1.00 9.49 C ATOM 0 H ILE A 36 -8.815 -3.901 -4.297 1.00 5.86 H new ATOM 0 HA ILE A 36 -11.334 -2.361 -4.008 1.00 6.07 H new ATOM 0 HB ILE A 36 -8.652 -1.769 -2.651 1.00 7.47 H new ATOM 0 HG12 ILE A 36 -10.645 -3.587 -1.368 1.00 8.52 H new ATOM 0 HG13 ILE A 36 -9.162 -4.121 -2.134 1.00 8.52 H new ATOM 0 HG21 ILE A 36 -10.243 -0.544 -1.192 1.00 7.36 H new ATOM 0 HG22 ILE A 36 -10.415 -0.023 -2.885 1.00 7.36 H new ATOM 0 HG23 ILE A 36 -11.603 -1.140 -2.173 1.00 7.36 H new ATOM 0 HD11 ILE A 36 -8.766 -3.670 0.326 1.00 9.49 H new ATOM 0 HD12 ILE A 36 -7.819 -2.536 -0.666 1.00 9.49 H new ATOM 0 HD13 ILE A 36 -9.326 -1.994 0.111 1.00 9.49 H new ATOM 582 N PRO A 37 -10.558 -0.576 -5.737 1.00 8.65 N ATOM 583 CA PRO A 37 -10.136 0.526 -6.616 1.00 9.18 C ATOM 584 C PRO A 37 -9.088 1.503 -6.023 1.00 9.85 C ATOM 585 O PRO A 37 -9.330 1.943 -4.899 1.00 8.51 O ATOM 586 CB PRO A 37 -11.345 1.291 -7.022 1.00 11.42 C ATOM 587 CG PRO A 37 -12.407 0.187 -7.127 1.00 9.27 C ATOM 588 CD PRO A 37 -11.939 -0.886 -6.021 1.00 8.33 C ATOM 0 HA PRO A 37 -9.631 0.054 -7.459 1.00 9.18 H new ATOM 0 HB2 PRO A 37 -11.615 2.047 -6.285 1.00 11.42 H new ATOM 0 HB3 PRO A 37 -11.200 1.808 -7.970 1.00 11.42 H new ATOM 0 HG2 PRO A 37 -13.406 0.569 -6.919 1.00 9.27 H new ATOM 0 HG3 PRO A 37 -12.435 -0.250 -8.125 1.00 9.27 H new ATOM 0 HD2 PRO A 37 -12.550 -0.813 -5.121 1.00 8.33 H new ATOM 0 HD3 PRO A 37 -12.043 -1.905 -6.395 1.00 8.33 H new ATOM 596 N PRO A 38 -7.971 1.922 -6.629 1.00 8.71 N ATOM 597 CA PRO A 38 -6.962 2.728 -5.930 1.00 9.08 C ATOM 598 C PRO A 38 -7.457 4.075 -5.333 1.00 9.28 C ATOM 599 O PRO A 38 -6.782 4.716 -4.465 1.00 6.50 O ATOM 600 CB PRO A 38 -5.908 2.995 -7.042 1.00 10.31 C ATOM 601 CG PRO A 38 -6.001 1.705 -7.893 1.00 10.81 C ATOM 602 CD PRO A 38 -7.457 1.337 -7.855 1.00 12.00 C ATOM 0 HA PRO A 38 -6.604 2.194 -5.050 1.00 9.08 H new ATOM 0 HB2 PRO A 38 -6.146 3.885 -7.624 1.00 10.31 H new ATOM 0 HB3 PRO A 38 -4.909 3.141 -6.630 1.00 10.31 H new ATOM 0 HG2 PRO A 38 -5.661 1.877 -8.914 1.00 10.81 H new ATOM 0 HG3 PRO A 38 -5.379 0.911 -7.480 1.00 10.81 H new ATOM 0 HD2 PRO A 38 -7.983 1.726 -8.727 1.00 12.00 H new ATOM 0 HD3 PRO A 38 -7.589 0.255 -7.859 1.00 12.00 H new ATOM 610 N ASP A 39 -8.660 4.501 -5.749 1.00 11.20 N ATOM 611 CA ASP A 39 -9.232 5.729 -5.209 1.00 14.96 C ATOM 612 C ASP A 39 -9.837 5.556 -3.854 1.00 13.99 C ATOM 613 O ASP A 39 -10.051 6.550 -3.194 1.00 13.75 O ATOM 614 CB ASP A 39 -10.243 6.362 -6.214 1.00 24.16 C ATOM 615 CG ASP A 39 -9.756 6.359 -7.619 1.00 31.06 C ATOM 616 OD1 ASP A 39 -8.864 7.215 -7.911 1.00 34.22 O ATOM 617 OD2 ASP A 39 -10.293 5.573 -8.466 1.00 35.55 O ATOM 0 H ASP A 39 -9.238 4.023 -6.440 1.00 11.20 H new ATOM 0 HA ASP A 39 -8.402 6.422 -5.074 1.00 14.96 H new ATOM 0 HB2 ASP A 39 -11.185 5.817 -6.162 1.00 24.16 H new ATOM 0 HB3 ASP A 39 -10.451 7.388 -5.911 1.00 24.16 H new ATOM 622 N GLN A 40 -10.063 4.314 -3.356 1.00 11.60 N ATOM 623 CA GLN A 40 -10.753 3.952 -2.159 1.00 10.76 C ATOM 624 C GLN A 40 -9.831 3.322 -1.173 1.00 8.01 C ATOM 625 O GLN A 40 -10.250 2.789 -0.165 1.00 8.96 O ATOM 626 CB GLN A 40 -11.810 2.848 -2.489 1.00 11.14 C ATOM 627 CG GLN A 40 -12.905 3.345 -3.460 1.00 14.85 C ATOM 628 CD GLN A 40 -13.953 2.271 -3.788 1.00 16.11 C ATOM 629 OE1 GLN A 40 -14.036 1.193 -3.206 1.00 20.52 O ATOM 630 NE2 GLN A 40 -14.948 2.669 -4.629 1.00 18.16 N ATOM 0 H GLN A 40 -9.724 3.489 -3.850 1.00 11.60 H new ATOM 0 HA GLN A 40 -11.196 4.863 -1.756 1.00 10.76 H new ATOM 0 HB2 GLN A 40 -11.306 1.986 -2.926 1.00 11.14 H new ATOM 0 HB3 GLN A 40 -12.276 2.509 -1.564 1.00 11.14 H new ATOM 0 HG2 GLN A 40 -13.404 4.210 -3.023 1.00 14.85 H new ATOM 0 HG3 GLN A 40 -12.436 3.681 -4.385 1.00 14.85 H new ATOM 0 HE21 GLN A 40 -14.879 3.564 -5.113 1.00 18.16 H new ATOM 0 HE22 GLN A 40 -15.762 2.072 -4.775 1.00 18.16 H new ATOM 639 N GLN A 41 -8.523 3.415 -1.381 1.00 6.52 N ATOM 640 CA GLN A 41 -7.503 2.832 -0.461 1.00 3.87 C ATOM 641 C GLN A 41 -6.722 3.972 0.267 1.00 4.79 C ATOM 642 O GLN A 41 -6.253 4.947 -0.376 1.00 6.34 O ATOM 643 CB GLN A 41 -6.434 1.976 -1.239 1.00 4.20 C ATOM 644 CG GLN A 41 -6.958 0.661 -1.808 1.00 3.20 C ATOM 645 CD GLN A 41 -5.852 0.071 -2.717 1.00 4.89 C ATOM 646 OE1 GLN A 41 -4.750 -0.135 -2.268 1.00 5.21 O ATOM 647 NE2 GLN A 41 -6.187 -0.204 -3.984 1.00 7.13 N ATOM 0 H GLN A 41 -8.120 3.893 -2.187 1.00 6.52 H new ATOM 0 HA GLN A 41 -8.045 2.201 0.244 1.00 3.87 H new ATOM 0 HB2 GLN A 41 -6.034 2.576 -2.057 1.00 4.20 H new ATOM 0 HB3 GLN A 41 -5.604 1.760 -0.567 1.00 4.20 H new ATOM 0 HG2 GLN A 41 -7.204 -0.033 -1.004 1.00 3.20 H new ATOM 0 HG3 GLN A 41 -7.873 0.827 -2.377 1.00 3.20 H new ATOM 0 HE21 GLN A 41 -7.132 -0.011 -4.315 1.00 7.13 H new ATOM 0 HE22 GLN A 41 -5.497 -0.606 -4.618 1.00 7.13 H new ATOM 656 N ARG A 42 -6.468 3.825 1.598 1.00 5.73 N ATOM 657 CA ARG A 42 -5.455 4.521 2.314 1.00 6.97 C ATOM 658 C ARG A 42 -4.549 3.451 2.852 1.00 7.15 C ATOM 659 O ARG A 42 -4.958 2.404 3.373 1.00 7.33 O ATOM 660 CB ARG A 42 -6.159 5.402 3.428 1.00 13.23 C ATOM 661 CG ARG A 42 -5.271 5.884 4.547 1.00 21.27 C ATOM 662 CD ARG A 42 -5.891 6.953 5.513 1.00 26.14 C ATOM 663 NE ARG A 42 -5.973 8.247 4.698 1.00 32.26 N ATOM 664 CZ ARG A 42 -6.777 9.236 5.065 1.00 34.32 C ATOM 665 NH1 ARG A 42 -7.340 9.266 6.277 1.00 35.30 N ATOM 666 NH2 ARG A 42 -7.052 10.284 4.300 1.00 36.39 N ATOM 0 H ARG A 42 -7.003 3.187 2.187 1.00 5.73 H new ATOM 0 HA ARG A 42 -4.862 5.213 1.716 1.00 6.97 H new ATOM 0 HB2 ARG A 42 -6.608 6.271 2.946 1.00 13.23 H new ATOM 0 HB3 ARG A 42 -6.974 4.822 3.861 1.00 13.23 H new ATOM 0 HG2 ARG A 42 -4.969 5.021 5.140 1.00 21.27 H new ATOM 0 HG3 ARG A 42 -4.365 6.303 4.109 1.00 21.27 H new ATOM 0 HD2 ARG A 42 -6.878 6.644 5.858 1.00 26.14 H new ATOM 0 HD3 ARG A 42 -5.271 7.087 6.399 1.00 26.14 H new ATOM 0 HE ARG A 42 -5.401 8.350 3.860 1.00 32.26 H new ATOM 0 HH11 ARG A 42 -7.155 8.517 6.944 1.00 35.30 H new ATOM 0 HH12 ARG A 42 -7.955 10.038 6.535 1.00 35.30 H new ATOM 0 HH21 ARG A 42 -6.636 10.361 3.372 1.00 36.39 H new ATOM 0 HH22 ARG A 42 -7.679 11.013 4.640 1.00 36.39 H new ATOM 680 N LEU A 43 -3.265 3.714 2.674 1.00 4.65 N ATOM 681 CA LEU A 43 -2.188 2.875 3.080 1.00 3.51 C ATOM 682 C LEU A 43 -1.254 3.509 4.079 1.00 5.56 C ATOM 683 O LEU A 43 -0.828 4.638 3.901 1.00 4.19 O ATOM 684 CB LEU A 43 -1.349 2.613 1.795 1.00 3.74 C ATOM 685 CG LEU A 43 -2.194 1.975 0.658 1.00 6.32 C ATOM 686 CD1 LEU A 43 -1.212 1.824 -0.530 1.00 9.55 C ATOM 687 CD2 LEU A 43 -2.883 0.628 1.001 1.00 6.41 C ATOM 0 H LEU A 43 -2.946 4.568 2.216 1.00 4.65 H new ATOM 0 HA LEU A 43 -2.612 1.989 3.552 1.00 3.51 H new ATOM 0 HB2 LEU A 43 -0.923 3.553 1.444 1.00 3.74 H new ATOM 0 HB3 LEU A 43 -0.514 1.955 2.037 1.00 3.74 H new ATOM 0 HG LEU A 43 -3.046 2.620 0.442 1.00 6.32 H new ATOM 0 HD11 LEU A 43 -1.732 1.379 -1.378 1.00 9.55 H new ATOM 0 HD12 LEU A 43 -0.830 2.805 -0.813 1.00 9.55 H new ATOM 0 HD13 LEU A 43 -0.381 1.182 -0.236 1.00 9.55 H new ATOM 0 HD21 LEU A 43 -3.444 0.276 0.136 1.00 6.41 H new ATOM 0 HD22 LEU A 43 -2.127 -0.110 1.268 1.00 6.41 H new ATOM 0 HD23 LEU A 43 -3.563 0.771 1.841 1.00 6.41 H new ATOM 699 N ILE A 44 -0.993 2.711 5.195 1.00 4.58 N ATOM 700 CA ILE A 44 -0.289 3.154 6.349 1.00 5.55 C ATOM 701 C ILE A 44 0.907 2.237 6.506 1.00 5.46 C ATOM 702 O ILE A 44 0.923 1.046 6.159 1.00 6.04 O ATOM 703 CB ILE A 44 -1.310 3.008 7.548 1.00 6.80 C ATOM 704 CG1 ILE A 44 -2.649 3.769 7.305 1.00 10.31 C ATOM 705 CG2 ILE A 44 -0.663 3.591 8.841 1.00 7.39 C ATOM 706 CD1 ILE A 44 -2.537 5.298 7.202 1.00 13.90 C ATOM 0 H ILE A 44 -1.295 1.739 5.258 1.00 4.58 H new ATOM 0 HA ILE A 44 0.069 4.182 6.298 1.00 5.55 H new ATOM 0 HB ILE A 44 -1.535 1.946 7.642 1.00 6.80 H new ATOM 0 HG12 ILE A 44 -3.097 3.393 6.385 1.00 10.31 H new ATOM 0 HG13 ILE A 44 -3.335 3.527 8.116 1.00 10.31 H new ATOM 0 HG21 ILE A 44 -1.361 3.494 9.673 1.00 7.39 H new ATOM 0 HG22 ILE A 44 0.251 3.043 9.069 1.00 7.39 H new ATOM 0 HG23 ILE A 44 -0.426 4.644 8.687 1.00 7.39 H new ATOM 0 HD11 ILE A 44 -3.526 5.725 7.033 1.00 13.90 H new ATOM 0 HD12 ILE A 44 -2.124 5.696 8.129 1.00 13.90 H new ATOM 0 HD13 ILE A 44 -1.882 5.560 6.371 1.00 13.90 H new ATOM 718 N PHE A 45 1.968 2.810 7.107 1.00 6.75 N ATOM 719 CA PHE A 45 3.158 2.086 7.488 1.00 4.70 C ATOM 720 C PHE A 45 3.496 2.535 8.897 1.00 6.34 C ATOM 721 O PHE A 45 4.091 3.579 9.158 1.00 5.45 O ATOM 722 CB PHE A 45 4.240 2.559 6.409 1.00 5.51 C ATOM 723 CG PHE A 45 5.535 1.968 6.573 1.00 5.98 C ATOM 724 CD1 PHE A 45 5.734 0.552 6.556 1.00 6.86 C ATOM 725 CD2 PHE A 45 6.641 2.770 6.866 1.00 5.87 C ATOM 726 CE1 PHE A 45 6.981 -0.006 6.840 1.00 6.68 C ATOM 727 CE2 PHE A 45 7.876 2.271 7.102 1.00 6.64 C ATOM 728 CZ PHE A 45 8.043 0.882 7.157 1.00 6.84 C ATOM 0 H PHE A 45 2.006 3.803 7.337 1.00 6.75 H new ATOM 0 HA PHE A 45 3.083 0.999 7.497 1.00 4.70 H new ATOM 0 HB2 PHE A 45 3.869 2.322 5.412 1.00 5.51 H new ATOM 0 HB3 PHE A 45 4.339 3.643 6.463 1.00 5.51 H new ATOM 0 HD1 PHE A 45 4.904 -0.097 6.319 1.00 6.86 H new ATOM 0 HD2 PHE A 45 6.503 3.840 6.906 1.00 5.87 H new ATOM 0 HE1 PHE A 45 7.133 -1.075 6.819 1.00 6.68 H new ATOM 0 HE2 PHE A 45 8.718 2.932 7.245 1.00 6.64 H new ATOM 0 HZ PHE A 45 9.001 0.477 7.447 1.00 6.84 H new ATOM 738 N ALA A 46 3.068 1.684 9.876 1.00 6.53 N ATOM 739 CA ALA A 46 3.405 1.972 11.266 1.00 7.15 C ATOM 740 C ALA A 46 2.854 3.278 11.786 1.00 9.00 C ATOM 741 O ALA A 46 3.516 4.115 12.398 1.00 11.15 O ATOM 742 CB ALA A 46 4.843 1.628 11.582 1.00 8.99 C ATOM 0 H ALA A 46 2.517 0.839 9.722 1.00 6.53 H new ATOM 0 HA ALA A 46 2.846 1.279 11.895 1.00 7.15 H new ATOM 0 HB1 ALA A 46 5.051 1.858 12.627 1.00 8.99 H new ATOM 0 HB2 ALA A 46 5.011 0.566 11.404 1.00 8.99 H new ATOM 0 HB3 ALA A 46 5.506 2.212 10.943 1.00 8.99 H new ATOM 748 N GLY A 47 1.580 3.524 11.539 1.00 9.35 N ATOM 749 CA GLY A 47 0.939 4.779 11.911 1.00 11.68 C ATOM 750 C GLY A 47 1.232 5.929 11.047 1.00 11.14 C ATOM 751 O GLY A 47 0.963 7.119 11.330 1.00 13.93 O ATOM 0 H GLY A 47 0.958 2.862 11.075 1.00 9.35 H new ATOM 0 HA2 GLY A 47 -0.140 4.624 11.923 1.00 11.68 H new ATOM 0 HA3 GLY A 47 1.237 5.029 12.929 1.00 11.68 H new ATOM 755 N LYS A 48 1.897 5.653 9.872 1.00 10.47 N ATOM 756 CA LYS A 48 2.183 6.791 8.951 1.00 8.82 C ATOM 757 C LYS A 48 1.601 6.563 7.561 1.00 7.68 C ATOM 758 O LYS A 48 1.954 5.619 6.850 1.00 6.47 O ATOM 759 CB LYS A 48 3.620 7.192 8.942 1.00 9.74 C ATOM 760 CG LYS A 48 3.989 8.398 8.062 1.00 14.14 C ATOM 761 CD LYS A 48 5.466 8.761 8.246 1.00 16.32 C ATOM 762 CE LYS A 48 5.872 9.940 7.339 1.00 20.04 C ATOM 763 NZ LYS A 48 4.963 11.082 7.648 1.00 23.92 N ATOM 0 H LYS A 48 2.217 4.734 9.567 1.00 10.47 H new ATOM 0 HA LYS A 48 1.659 7.657 9.355 1.00 8.82 H new ATOM 0 HB2 LYS A 48 3.919 7.413 9.967 1.00 9.74 H new ATOM 0 HB3 LYS A 48 4.211 6.337 8.614 1.00 9.74 H new ATOM 0 HG2 LYS A 48 3.793 8.166 7.015 1.00 14.14 H new ATOM 0 HG3 LYS A 48 3.363 9.251 8.322 1.00 14.14 H new ATOM 0 HD2 LYS A 48 5.651 9.021 9.288 1.00 16.32 H new ATOM 0 HD3 LYS A 48 6.087 7.894 8.018 1.00 16.32 H new ATOM 0 HE2 LYS A 48 6.911 10.219 7.516 1.00 20.04 H new ATOM 0 HE3 LYS A 48 5.792 9.660 6.289 1.00 20.04 H new ATOM 0 HZ1 LYS A 48 5.492 11.975 7.582 1.00 23.92 H new ATOM 0 HZ2 LYS A 48 4.177 11.094 6.967 1.00 23.92 H new ATOM 0 HZ3 LYS A 48 4.585 10.974 8.611 1.00 23.92 H new ATOM 777 N GLN A 49 0.789 7.534 7.103 1.00 8.89 N ATOM 778 CA GLN A 49 0.102 7.530 5.803 1.00 7.18 C ATOM 779 C GLN A 49 1.064 7.732 4.580 1.00 8.23 C ATOM 780 O GLN A 49 1.972 8.557 4.583 1.00 9.70 O ATOM 781 CB GLN A 49 -0.969 8.645 5.777 1.00 11.67 C ATOM 782 CG GLN A 49 -1.918 8.889 4.478 1.00 15.82 C ATOM 783 CD GLN A 49 -2.756 10.231 4.544 1.00 20.21 C ATOM 784 OE1 GLN A 49 -2.652 11.066 3.623 1.00 23.23 O ATOM 785 NE2 GLN A 49 -3.490 10.405 5.658 1.00 20.67 N ATOM 0 H GLN A 49 0.588 8.372 7.649 1.00 8.89 H new ATOM 0 HA GLN A 49 -0.347 6.542 5.701 1.00 7.18 H new ATOM 0 HB2 GLN A 49 -1.632 8.466 6.623 1.00 11.67 H new ATOM 0 HB3 GLN A 49 -0.452 9.585 5.971 1.00 11.67 H new ATOM 0 HG2 GLN A 49 -1.296 8.903 3.583 1.00 15.82 H new ATOM 0 HG3 GLN A 49 -2.604 8.048 4.377 1.00 15.82 H new ATOM 0 HE21 GLN A 49 -3.523 9.672 6.366 1.00 20.67 H new ATOM 0 HE22 GLN A 49 -4.013 11.270 5.794 1.00 20.67 H new ATOM 794 N LEU A 50 0.825 6.953 3.562 1.00 6.51 N ATOM 795 CA LEU A 50 1.638 6.859 2.345 1.00 7.41 C ATOM 796 C LEU A 50 0.950 7.568 1.174 1.00 8.27 C ATOM 797 O LEU A 50 -0.253 7.487 0.986 1.00 8.34 O ATOM 798 CB LEU A 50 1.870 5.461 1.861 1.00 7.13 C ATOM 799 CG LEU A 50 2.514 4.555 2.904 1.00 7.53 C ATOM 800 CD1 LEU A 50 2.536 3.084 2.406 1.00 8.14 C ATOM 801 CD2 LEU A 50 3.800 5.163 3.459 1.00 9.11 C ATOM 0 H LEU A 50 0.020 6.327 3.541 1.00 6.51 H new ATOM 0 HA LEU A 50 2.586 7.313 2.633 1.00 7.41 H new ATOM 0 HB2 LEU A 50 0.918 5.029 1.554 1.00 7.13 H new ATOM 0 HB3 LEU A 50 2.506 5.492 0.976 1.00 7.13 H new ATOM 0 HG LEU A 50 1.904 4.491 3.805 1.00 7.53 H new ATOM 0 HD11 LEU A 50 2.999 2.451 3.163 1.00 8.14 H new ATOM 0 HD12 LEU A 50 1.516 2.746 2.225 1.00 8.14 H new ATOM 0 HD13 LEU A 50 3.109 3.022 1.481 1.00 8.14 H new ATOM 0 HD21 LEU A 50 4.231 4.489 4.200 1.00 9.11 H new ATOM 0 HD22 LEU A 50 4.512 5.313 2.647 1.00 9.11 H new ATOM 0 HD23 LEU A 50 3.577 6.122 3.927 1.00 9.11 H new ATOM 813 N GLU A 51 1.746 8.388 0.356 1.00 9.43 N ATOM 814 CA GLU A 51 1.180 9.289 -0.618 1.00 11.90 C ATOM 815 C GLU A 51 1.533 8.776 -2.072 1.00 11.49 C ATOM 816 O GLU A 51 2.640 8.338 -2.366 1.00 9.88 O ATOM 817 CB GLU A 51 1.687 10.729 -0.457 1.00 16.56 C ATOM 818 CG GLU A 51 1.321 11.736 -1.614 1.00 26.06 C ATOM 819 CD GLU A 51 1.948 13.057 -1.271 1.00 29.86 C ATOM 820 OE1 GLU A 51 1.378 13.818 -0.444 1.00 32.13 O ATOM 821 OE2 GLU A 51 3.057 13.322 -1.798 1.00 33.44 O ATOM 0 H GLU A 51 2.765 8.403 0.394 1.00 9.43 H new ATOM 0 HA GLU A 51 0.102 9.301 -0.459 1.00 11.90 H new ATOM 0 HB2 GLU A 51 1.294 11.127 0.479 1.00 16.56 H new ATOM 0 HB3 GLU A 51 2.772 10.700 -0.360 1.00 16.56 H new ATOM 0 HG2 GLU A 51 1.692 11.372 -2.572 1.00 26.06 H new ATOM 0 HG3 GLU A 51 0.240 11.837 -1.708 1.00 26.06 H new ATOM 828 N ASP A 52 0.496 8.798 -2.942 1.00 12.71 N ATOM 829 CA ASP A 52 0.493 8.034 -4.168 1.00 16.56 C ATOM 830 C ASP A 52 1.649 8.264 -5.103 1.00 15.83 C ATOM 831 O ASP A 52 2.318 7.363 -5.564 1.00 17.21 O ATOM 832 CB ASP A 52 -0.948 8.261 -4.894 1.00 21.05 C ATOM 833 CG ASP A 52 -2.118 8.129 -3.933 1.00 25.12 C ATOM 834 OD1 ASP A 52 -2.142 8.939 -2.972 1.00 28.37 O ATOM 835 OD2 ASP A 52 -3.034 7.292 -4.153 1.00 25.82 O ATOM 0 H ASP A 52 -0.349 9.350 -2.796 1.00 12.71 H new ATOM 0 HA ASP A 52 0.638 6.990 -3.890 1.00 16.56 H new ATOM 0 HB2 ASP A 52 -0.968 9.251 -5.350 1.00 21.05 H new ATOM 0 HB3 ASP A 52 -1.062 7.536 -5.700 1.00 21.05 H new ATOM 840 N GLY A 53 1.922 9.539 -5.478 1.00 15.00 N ATOM 841 CA GLY A 53 3.054 9.763 -6.336 1.00 11.77 C ATOM 842 C GLY A 53 4.396 9.586 -5.720 1.00 11.10 C ATOM 843 O GLY A 53 5.391 9.650 -6.411 1.00 11.25 O ATOM 0 H GLY A 53 1.393 10.368 -5.206 1.00 15.00 H new ATOM 0 HA2 GLY A 53 2.977 9.086 -7.187 1.00 11.77 H new ATOM 0 HA3 GLY A 53 2.990 10.778 -6.729 1.00 11.77 H new ATOM 847 N ARG A 54 4.540 9.367 -4.421 1.00 8.53 N ATOM 848 CA ARG A 54 5.825 9.016 -3.838 1.00 9.05 C ATOM 849 C ARG A 54 6.241 7.572 -4.136 1.00 8.96 C ATOM 850 O ARG A 54 5.433 6.710 -4.442 1.00 11.60 O ATOM 851 CB ARG A 54 5.809 9.325 -2.385 1.00 7.97 C ATOM 852 CG ARG A 54 5.323 10.745 -2.013 1.00 9.62 C ATOM 853 CD ARG A 54 6.338 11.839 -2.366 1.00 12.20 C ATOM 854 NE ARG A 54 5.908 13.172 -1.797 1.00 18.23 N ATOM 855 CZ ARG A 54 6.789 14.197 -1.663 1.00 22.08 C ATOM 856 NH1 ARG A 54 8.053 14.017 -1.982 1.00 25.50 N ATOM 857 NH2 ARG A 54 6.310 15.355 -1.352 1.00 23.38 N ATOM 0 H ARG A 54 3.776 9.427 -3.747 1.00 8.53 H new ATOM 0 HA ARG A 54 6.595 9.626 -4.311 1.00 9.05 H new ATOM 0 HB2 ARG A 54 5.170 8.598 -1.883 1.00 7.97 H new ATOM 0 HB3 ARG A 54 6.816 9.190 -1.991 1.00 7.97 H new ATOM 0 HG2 ARG A 54 4.384 10.948 -2.529 1.00 9.62 H new ATOM 0 HG3 ARG A 54 5.114 10.783 -0.944 1.00 9.62 H new ATOM 0 HD2 ARG A 54 7.320 11.571 -1.975 1.00 12.20 H new ATOM 0 HD3 ARG A 54 6.436 11.915 -3.449 1.00 12.20 H new ATOM 0 HE ARG A 54 4.939 13.304 -1.508 1.00 18.23 H new ATOM 0 HH11 ARG A 54 8.368 13.111 -2.328 1.00 25.50 H new ATOM 0 HH12 ARG A 54 8.718 14.784 -1.883 1.00 25.50 H new ATOM 0 HH21 ARG A 54 5.306 15.472 -1.217 1.00 23.38 H new ATOM 0 HH22 ARG A 54 6.936 16.153 -1.241 1.00 23.38 H new ATOM 871 N THR A 55 7.568 7.302 -3.926 1.00 9.05 N ATOM 872 CA THR A 55 8.065 5.929 -4.016 1.00 9.03 C ATOM 873 C THR A 55 8.267 5.284 -2.648 1.00 8.15 C ATOM 874 O THR A 55 8.238 5.890 -1.548 1.00 5.91 O ATOM 875 CB THR A 55 9.375 5.841 -4.808 1.00 11.15 C ATOM 876 OG1 THR A 55 10.470 6.519 -4.150 1.00 11.95 O ATOM 877 CG2 THR A 55 9.176 6.394 -6.243 1.00 11.71 C ATOM 0 H THR A 55 8.274 8.003 -3.702 1.00 9.05 H new ATOM 0 HA THR A 55 7.288 5.378 -4.546 1.00 9.03 H new ATOM 0 HB THR A 55 9.644 4.786 -4.863 1.00 11.15 H new ATOM 0 HG1 THR A 55 10.165 7.391 -3.822 1.00 11.95 H new ATOM 0 HG21 THR A 55 10.115 6.325 -6.793 1.00 11.71 H new ATOM 0 HG22 THR A 55 8.411 5.810 -6.755 1.00 11.71 H new ATOM 0 HG23 THR A 55 8.862 7.436 -6.191 1.00 11.71 H new ATOM 885 N LEU A 56 8.521 3.915 -2.586 1.00 6.91 N ATOM 886 CA LEU A 56 8.921 3.199 -1.361 1.00 8.29 C ATOM 887 C LEU A 56 10.271 3.580 -0.753 1.00 8.05 C ATOM 888 O LEU A 56 10.414 3.657 0.468 1.00 10.17 O ATOM 889 CB LEU A 56 8.957 1.684 -1.708 1.00 6.60 C ATOM 890 CG LEU A 56 7.529 1.175 -1.956 1.00 7.73 C ATOM 891 CD1 LEU A 56 7.515 -0.013 -2.899 1.00 9.85 C ATOM 892 CD2 LEU A 56 6.784 0.864 -0.629 1.00 8.64 C ATOM 0 H LEU A 56 8.446 3.305 -3.400 1.00 6.91 H new ATOM 0 HA LEU A 56 8.188 3.476 -0.603 1.00 8.29 H new ATOM 0 HB2 LEU A 56 9.571 1.518 -2.593 1.00 6.60 H new ATOM 0 HB3 LEU A 56 9.416 1.125 -0.892 1.00 6.60 H new ATOM 0 HG LEU A 56 6.983 1.983 -2.444 1.00 7.73 H new ATOM 0 HD11 LEU A 56 6.488 -0.345 -3.050 1.00 9.85 H new ATOM 0 HD12 LEU A 56 7.947 0.277 -3.857 1.00 9.85 H new ATOM 0 HD13 LEU A 56 8.100 -0.826 -2.469 1.00 9.85 H new ATOM 0 HD21 LEU A 56 5.778 0.507 -0.851 1.00 8.64 H new ATOM 0 HD22 LEU A 56 7.328 0.097 -0.078 1.00 8.64 H new ATOM 0 HD23 LEU A 56 6.722 1.770 -0.025 1.00 8.64 H new ATOM 904 N SER A 57 11.330 3.887 -1.571 1.00 8.92 N ATOM 905 CA SER A 57 12.625 4.515 -1.187 1.00 9.00 C ATOM 906 C SER A 57 12.470 5.864 -0.433 1.00 9.44 C ATOM 907 O SER A 57 13.216 6.214 0.475 1.00 10.91 O ATOM 908 CB SER A 57 13.530 4.688 -2.404 1.00 10.32 C ATOM 909 OG SER A 57 14.896 4.896 -2.112 1.00 13.59 O ATOM 0 H SER A 57 11.293 3.688 -2.571 1.00 8.92 H new ATOM 0 HA SER A 57 13.089 3.823 -0.484 1.00 9.00 H new ATOM 0 HB2 SER A 57 13.440 3.802 -3.033 1.00 10.32 H new ATOM 0 HB3 SER A 57 13.167 5.533 -2.990 1.00 10.32 H new ATOM 0 HG SER A 57 15.398 4.994 -2.948 1.00 13.59 H new ATOM 915 N ASP A 58 11.449 6.650 -0.768 1.00 9.11 N ATOM 916 CA ASP A 58 11.144 7.827 0.043 1.00 7.91 C ATOM 917 C ASP A 58 10.646 7.588 1.503 1.00 9.12 C ATOM 918 O ASP A 58 10.994 8.321 2.395 1.00 8.61 O ATOM 919 CB ASP A 58 10.015 8.614 -0.751 1.00 8.41 C ATOM 920 CG ASP A 58 10.364 9.196 -2.060 1.00 11.50 C ATOM 921 OD1 ASP A 58 11.338 9.999 -2.175 1.00 10.05 O ATOM 922 OD2 ASP A 58 9.637 8.903 -3.040 1.00 11.70 O ATOM 0 H ASP A 58 10.836 6.501 -1.569 1.00 9.11 H new ATOM 0 HA ASP A 58 12.086 8.358 0.180 1.00 7.91 H new ATOM 0 HB2 ASP A 58 9.177 7.933 -0.901 1.00 8.41 H new ATOM 0 HB3 ASP A 58 9.659 9.422 -0.111 1.00 8.41 H new ATOM 927 N TYR A 59 9.914 6.511 1.813 1.00 7.97 N ATOM 928 CA TYR A 59 9.440 6.130 3.113 1.00 8.45 C ATOM 929 C TYR A 59 10.476 5.221 3.752 1.00 10.98 C ATOM 930 O TYR A 59 10.337 4.869 4.938 1.00 12.95 O ATOM 931 CB TYR A 59 8.030 5.425 3.085 1.00 7.94 C ATOM 932 CG TYR A 59 7.064 6.439 2.652 1.00 6.91 C ATOM 933 CD1 TYR A 59 6.686 7.451 3.519 1.00 4.59 C ATOM 934 CD2 TYR A 59 6.482 6.280 1.351 1.00 6.98 C ATOM 935 CE1 TYR A 59 5.719 8.372 3.103 1.00 5.39 C ATOM 936 CE2 TYR A 59 5.629 7.323 0.945 1.00 6.52 C ATOM 937 CZ TYR A 59 5.200 8.320 1.788 1.00 6.76 C ATOM 938 OH TYR A 59 4.410 9.402 1.350 1.00 7.63 O ATOM 0 H TYR A 59 9.626 5.846 1.095 1.00 7.97 H new ATOM 0 HA TYR A 59 9.303 7.039 3.699 1.00 8.45 H new ATOM 0 HB2 TYR A 59 8.034 4.577 2.401 1.00 7.94 H new ATOM 0 HB3 TYR A 59 7.770 5.038 4.070 1.00 7.94 H new ATOM 0 HD1 TYR A 59 7.131 7.528 4.500 1.00 4.59 H new ATOM 0 HD2 TYR A 59 6.684 5.421 0.728 1.00 6.98 H new ATOM 0 HE1 TYR A 59 5.366 9.127 3.790 1.00 5.39 H new ATOM 0 HE2 TYR A 59 5.294 7.341 -0.082 1.00 6.52 H new ATOM 0 HH TYR A 59 4.976 10.194 1.233 1.00 7.63 H new ATOM 948 N ASN A 60 11.547 4.828 3.053 1.00 12.38 N ATOM 949 CA ASN A 60 12.510 3.827 3.479 1.00 13.94 C ATOM 950 C ASN A 60 11.669 2.495 3.752 1.00 14.16 C ATOM 951 O ASN A 60 11.792 1.869 4.778 1.00 14.26 O ATOM 952 CB ASN A 60 13.371 4.258 4.711 1.00 19.23 C ATOM 953 CG ASN A 60 13.876 5.651 4.607 1.00 22.65 C ATOM 954 OD1 ASN A 60 13.551 6.442 5.518 1.00 25.45 O ATOM 955 ND2 ASN A 60 14.658 5.944 3.570 1.00 24.09 N ATOM 0 H ASN A 60 11.768 5.220 2.138 1.00 12.38 H new ATOM 0 HA ASN A 60 13.257 3.673 2.700 1.00 13.94 H new ATOM 0 HB2 ASN A 60 12.773 4.161 5.617 1.00 19.23 H new ATOM 0 HB3 ASN A 60 14.216 3.577 4.813 1.00 19.23 H new ATOM 0 HD21 ASN A 60 15.046 6.882 3.473 1.00 24.09 H new ATOM 0 HD22 ASN A 60 14.869 5.230 2.873 1.00 24.09 H new ATOM 962 N ILE A 61 10.957 1.977 2.751 1.00 11.08 N ATOM 963 CA ILE A 61 10.271 0.686 2.872 1.00 11.78 C ATOM 964 C ILE A 61 10.984 -0.328 1.953 1.00 13.74 C ATOM 965 O ILE A 61 11.288 -0.063 0.833 1.00 14.60 O ATOM 966 CB ILE A 61 8.815 0.753 2.488 1.00 11.80 C ATOM 967 CG1 ILE A 61 8.057 1.593 3.563 1.00 11.56 C ATOM 968 CG2 ILE A 61 8.271 -0.632 2.268 1.00 13.29 C ATOM 969 CD1 ILE A 61 6.714 2.054 3.109 1.00 11.42 C ATOM 0 H ILE A 61 10.839 2.431 1.845 1.00 11.08 H new ATOM 0 HA ILE A 61 10.312 0.386 3.919 1.00 11.78 H new ATOM 0 HB ILE A 61 8.673 1.263 1.535 1.00 11.80 H new ATOM 0 HG12 ILE A 61 7.942 0.995 4.467 1.00 11.56 H new ATOM 0 HG13 ILE A 61 8.661 2.461 3.829 1.00 11.56 H new ATOM 0 HG21 ILE A 61 7.219 -0.570 1.991 1.00 13.29 H new ATOM 0 HG22 ILE A 61 8.828 -1.119 1.468 1.00 13.29 H new ATOM 0 HG23 ILE A 61 8.371 -1.212 3.185 1.00 13.29 H new ATOM 0 HD11 ILE A 61 6.240 2.632 3.903 1.00 11.42 H new ATOM 0 HD12 ILE A 61 6.824 2.678 2.222 1.00 11.42 H new ATOM 0 HD13 ILE A 61 6.094 1.190 2.870 1.00 11.42 H new ATOM 981 N GLN A 62 11.280 -1.479 2.555 1.00 13.97 N ATOM 982 CA GLN A 62 12.251 -2.453 2.127 1.00 15.52 C ATOM 983 C GLN A 62 11.652 -3.833 2.212 1.00 13.94 C ATOM 984 O GLN A 62 10.516 -3.979 2.613 1.00 12.15 O ATOM 985 CB GLN A 62 13.539 -2.439 3.038 1.00 19.53 C ATOM 986 CG GLN A 62 13.320 -2.840 4.564 1.00 26.38 C ATOM 987 CD GLN A 62 13.103 -1.616 5.369 1.00 30.61 C ATOM 988 OE1 GLN A 62 14.190 -0.814 5.547 1.00 33.23 O flip ATOM 989 NE2 GLN A 62 12.037 -1.373 5.929 1.00 32.71 N flip ATOM 0 H GLN A 62 10.808 -1.764 3.413 1.00 13.97 H new ATOM 0 HA GLN A 62 12.531 -2.200 1.105 1.00 15.52 H new ATOM 0 HB2 GLN A 62 14.273 -3.120 2.606 1.00 19.53 H new ATOM 0 HB3 GLN A 62 13.973 -1.440 3.004 1.00 19.53 H new ATOM 0 HG2 GLN A 62 12.462 -3.506 4.657 1.00 26.38 H new ATOM 0 HG3 GLN A 62 14.188 -3.384 4.936 1.00 26.38 H new ATOM 0 HE21 GLN A 62 11.234 -1.985 5.784 1.00 32.71 H new ATOM 0 HE22 GLN A 62 11.955 -0.560 6.539 1.00 32.71 H new ATOM 998 N LYS A 63 12.386 -4.864 1.737 1.00 11.73 N ATOM 999 CA LYS A 63 12.123 -6.305 1.811 1.00 11.97 C ATOM 1000 C LYS A 63 11.476 -6.749 3.179 1.00 10.41 C ATOM 1001 O LYS A 63 11.747 -6.184 4.252 1.00 9.59 O ATOM 1002 CB LYS A 63 13.460 -7.025 1.636 1.00 13.73 C ATOM 1003 CG LYS A 63 14.465 -6.567 2.723 1.00 16.98 C ATOM 1004 CD LYS A 63 15.857 -7.235 2.558 1.00 20.19 C ATOM 1005 CE LYS A 63 16.778 -6.306 1.746 1.00 23.42 C ATOM 1006 NZ LYS A 63 18.188 -6.746 1.738 1.00 25.97 N ATOM 0 H LYS A 63 13.261 -4.682 1.246 1.00 11.73 H new ATOM 0 HA LYS A 63 11.407 -6.561 1.030 1.00 11.97 H new ATOM 0 HB2 LYS A 63 13.311 -8.103 1.700 1.00 13.73 H new ATOM 0 HB3 LYS A 63 13.866 -6.817 0.646 1.00 13.73 H new ATOM 0 HG2 LYS A 63 14.577 -5.484 2.678 1.00 16.98 H new ATOM 0 HG3 LYS A 63 14.065 -6.805 3.708 1.00 16.98 H new ATOM 0 HD2 LYS A 63 16.295 -7.435 3.536 1.00 20.19 H new ATOM 0 HD3 LYS A 63 15.754 -8.195 2.053 1.00 20.19 H new ATOM 0 HE2 LYS A 63 16.415 -6.252 0.720 1.00 23.42 H new ATOM 0 HE3 LYS A 63 16.721 -5.298 2.158 1.00 23.42 H new ATOM 0 HZ1 LYS A 63 18.756 -6.081 1.176 1.00 25.97 H new ATOM 0 HZ2 LYS A 63 18.549 -6.772 2.713 1.00 25.97 H new ATOM 0 HZ3 LYS A 63 18.253 -7.696 1.320 1.00 25.97 H new ATOM 1020 N GLU A 64 10.465 -7.653 3.112 1.00 10.04 N ATOM 1021 CA GLU A 64 9.763 -8.216 4.286 1.00 10.94 C ATOM 1022 C GLU A 64 9.082 -7.208 5.248 1.00 9.74 C ATOM 1023 O GLU A 64 8.656 -7.535 6.330 1.00 9.42 O ATOM 1024 CB GLU A 64 10.731 -9.168 5.094 1.00 18.31 C ATOM 1025 CG GLU A 64 11.284 -10.275 4.175 1.00 24.16 C ATOM 1026 CD GLU A 64 12.234 -11.173 4.930 1.00 29.00 C ATOM 1027 OE1 GLU A 64 11.826 -11.755 5.934 1.00 31.72 O ATOM 1028 OE2 GLU A 64 13.451 -11.136 4.521 1.00 32.61 O ATOM 0 H GLU A 64 10.112 -8.014 2.226 1.00 10.04 H new ATOM 0 HA GLU A 64 8.929 -8.767 3.851 1.00 10.94 H new ATOM 0 HB2 GLU A 64 11.554 -8.590 5.513 1.00 18.31 H new ATOM 0 HB3 GLU A 64 10.196 -9.615 5.932 1.00 18.31 H new ATOM 0 HG2 GLU A 64 10.461 -10.865 3.773 1.00 24.16 H new ATOM 0 HG3 GLU A 64 11.799 -9.826 3.326 1.00 24.16 H new ATOM 1035 N SER A 65 8.898 -5.990 4.791 1.00 6.85 N ATOM 1036 CA SER A 65 8.061 -5.010 5.487 1.00 6.90 C ATOM 1037 C SER A 65 6.648 -5.458 5.488 1.00 4.72 C ATOM 1038 O SER A 65 6.238 -6.052 4.473 1.00 3.91 O ATOM 1039 CB SER A 65 8.252 -3.513 5.000 1.00 7.28 C ATOM 1040 OG SER A 65 9.574 -3.023 5.018 1.00 10.56 O ATOM 0 H SER A 65 9.318 -5.641 3.930 1.00 6.85 H new ATOM 0 HA SER A 65 8.406 -4.974 6.520 1.00 6.90 H new ATOM 0 HB2 SER A 65 7.868 -3.431 3.983 1.00 7.28 H new ATOM 0 HB3 SER A 65 7.637 -2.867 5.626 1.00 7.28 H new ATOM 0 HG SER A 65 10.065 -3.378 4.248 1.00 10.56 H new ATOM 1046 N THR A 66 5.907 -4.891 6.461 1.00 4.48 N ATOM 1047 CA THR A 66 4.453 -5.064 6.498 1.00 3.80 C ATOM 1048 C THR A 66 3.861 -3.713 6.491 1.00 4.60 C ATOM 1049 O THR A 66 4.219 -2.808 7.223 1.00 5.33 O ATOM 1050 CB THR A 66 3.958 -5.740 7.754 1.00 2.85 C ATOM 1051 OG1 THR A 66 4.390 -7.129 7.818 1.00 2.15 O ATOM 1052 CG2 THR A 66 2.396 -5.857 7.840 1.00 3.40 C ATOM 0 H THR A 66 6.288 -4.321 7.216 1.00 4.48 H new ATOM 0 HA THR A 66 4.174 -5.686 5.648 1.00 3.80 H new ATOM 0 HB THR A 66 4.360 -5.111 8.548 1.00 2.85 H new ATOM 0 HG1 THR A 66 4.055 -7.538 8.643 1.00 2.15 H new ATOM 0 HG21 THR A 66 2.119 -6.353 8.770 1.00 3.40 H new ATOM 0 HG22 THR A 66 1.955 -4.861 7.815 1.00 3.40 H new ATOM 0 HG23 THR A 66 2.028 -6.438 6.995 1.00 3.40 H new ATOM 1060 N LEU A 67 2.857 -3.481 5.596 1.00 4.17 N ATOM 1061 CA LEU A 67 2.143 -2.223 5.417 1.00 3.85 C ATOM 1062 C LEU A 67 0.666 -2.517 5.760 1.00 3.80 C ATOM 1063 O LEU A 67 0.301 -3.707 5.805 1.00 5.54 O ATOM 1064 CB LEU A 67 2.171 -1.641 3.991 1.00 7.18 C ATOM 1065 CG LEU A 67 3.485 -1.075 3.460 1.00 9.67 C ATOM 1066 CD1 LEU A 67 4.541 -2.178 3.237 1.00 8.12 C ATOM 1067 CD2 LEU A 67 3.286 -0.359 2.092 1.00 11.66 C ATOM 0 H LEU A 67 2.525 -4.209 4.963 1.00 4.17 H new ATOM 0 HA LEU A 67 2.633 -1.485 6.052 1.00 3.85 H new ATOM 0 HB2 LEU A 67 1.848 -2.425 3.307 1.00 7.18 H new ATOM 0 HB3 LEU A 67 1.425 -0.848 3.942 1.00 7.18 H new ATOM 0 HG LEU A 67 3.827 -0.372 4.219 1.00 9.67 H new ATOM 0 HD11 LEU A 67 5.460 -1.731 2.859 1.00 8.12 H new ATOM 0 HD12 LEU A 67 4.745 -2.683 4.181 1.00 8.12 H new ATOM 0 HD13 LEU A 67 4.165 -2.901 2.513 1.00 8.12 H new ATOM 0 HD21 LEU A 67 4.242 0.032 1.743 1.00 11.66 H new ATOM 0 HD22 LEU A 67 2.897 -1.069 1.363 1.00 11.66 H new ATOM 0 HD23 LEU A 67 2.580 0.463 2.211 1.00 11.66 H new ATOM 1079 N HIS A 68 -0.241 -1.526 5.925 1.00 2.94 N ATOM 1080 CA HIS A 68 -1.569 -1.725 6.406 1.00 4.17 C ATOM 1081 C HIS A 68 -2.546 -0.948 5.618 1.00 5.32 C ATOM 1082 O HIS A 68 -2.113 -0.120 4.881 1.00 7.70 O ATOM 1083 CB HIS A 68 -1.615 -1.257 7.931 1.00 5.57 C ATOM 1084 CG HIS A 68 -0.837 -2.120 8.772 1.00 9.95 C ATOM 1085 ND1 HIS A 68 0.555 -2.186 8.899 1.00 13.74 N flip ATOM 1086 CD2 HIS A 68 -1.311 -3.128 9.518 1.00 12.79 C flip ATOM 1087 CE1 HIS A 68 0.883 -3.155 9.795 1.00 14.75 C flip ATOM 1088 NE2 HIS A 68 -0.270 -3.787 10.049 1.00 16.30 N flip ATOM 0 H HIS A 68 -0.033 -0.550 5.713 1.00 2.94 H new ATOM 0 HA HIS A 68 -1.833 -2.778 6.313 1.00 4.17 H new ATOM 0 HB2 HIS A 68 -1.241 -0.236 8.010 1.00 5.57 H new ATOM 0 HB3 HIS A 68 -2.648 -1.245 8.278 1.00 5.57 H new ATOM 0 HD2 HIS A 68 -2.353 -3.369 9.666 1.00 12.79 H new ATOM 0 HE1 HIS A 68 1.857 -3.368 10.210 1.00 14.75 H new ATOM 0 HE2 HIS A 68 -0.347 -4.656 10.577 1.00 16.30 H new ATOM 1096 N LEU A 69 -3.822 -1.200 5.737 1.00 5.29 N ATOM 1097 CA LEU A 69 -4.807 -0.847 4.727 1.00 3.97 C ATOM 1098 C LEU A 69 -6.072 -0.327 5.423 1.00 5.07 C ATOM 1099 O LEU A 69 -6.706 -0.979 6.277 1.00 4.34 O ATOM 1100 CB LEU A 69 -4.988 -2.036 3.715 1.00 6.08 C ATOM 1101 CG LEU A 69 -5.566 -1.698 2.297 1.00 7.37 C ATOM 1102 CD1 LEU A 69 -5.324 -2.998 1.556 1.00 6.87 C ATOM 1103 CD2 LEU A 69 -7.052 -1.338 2.145 1.00 9.96 C ATOM 0 H LEU A 69 -4.223 -1.665 6.551 1.00 5.29 H new ATOM 0 HA LEU A 69 -4.479 -0.021 4.096 1.00 3.97 H new ATOM 0 HB2 LEU A 69 -4.017 -2.512 3.578 1.00 6.08 H new ATOM 0 HB3 LEU A 69 -5.642 -2.775 4.178 1.00 6.08 H new ATOM 0 HG LEU A 69 -5.087 -0.782 1.951 1.00 7.37 H new ATOM 0 HD11 LEU A 69 -5.686 -2.906 0.532 1.00 6.87 H new ATOM 0 HD12 LEU A 69 -4.256 -3.218 1.546 1.00 6.87 H new ATOM 0 HD13 LEU A 69 -5.856 -3.807 2.057 1.00 6.87 H new ATOM 0 HD21 LEU A 69 -7.272 -1.135 1.097 1.00 9.96 H new ATOM 0 HD22 LEU A 69 -7.665 -2.171 2.490 1.00 9.96 H new ATOM 0 HD23 LEU A 69 -7.275 -0.452 2.740 1.00 9.96 H new ATOM 1115 N VAL A 70 -6.538 0.891 4.984 1.00 4.29 N ATOM 1116 CA VAL A 70 -7.727 1.600 5.429 1.00 6.26 C ATOM 1117 C VAL A 70 -8.654 1.847 4.183 1.00 9.22 C ATOM 1118 O VAL A 70 -8.323 2.374 3.108 1.00 9.36 O ATOM 1119 CB VAL A 70 -7.515 2.906 6.223 1.00 8.69 C ATOM 1120 CG1 VAL A 70 -8.861 3.320 6.920 1.00 9.76 C ATOM 1121 CG2 VAL A 70 -6.390 2.735 7.259 1.00 8.54 C ATOM 0 H VAL A 70 -6.039 1.412 4.263 1.00 4.29 H new ATOM 0 HA VAL A 70 -8.190 0.947 6.168 1.00 6.26 H new ATOM 0 HB VAL A 70 -7.215 3.697 5.536 1.00 8.69 H new ATOM 0 HG11 VAL A 70 -8.712 4.243 7.481 1.00 9.76 H new ATOM 0 HG12 VAL A 70 -9.630 3.476 6.163 1.00 9.76 H new ATOM 0 HG13 VAL A 70 -9.177 2.529 7.600 1.00 9.76 H new ATOM 0 HG21 VAL A 70 -6.256 3.667 7.808 1.00 8.54 H new ATOM 0 HG22 VAL A 70 -6.654 1.939 7.955 1.00 8.54 H new ATOM 0 HG23 VAL A 70 -5.462 2.478 6.749 1.00 8.54 H new ATOM 1131 N LEU A 71 -9.949 1.452 4.279 1.00 12.71 N ATOM 1132 CA LEU A 71 -11.038 1.745 3.317 1.00 16.06 C ATOM 1133 C LEU A 71 -11.476 3.166 3.306 1.00 18.09 C ATOM 1134 O LEU A 71 -11.910 3.731 4.329 1.00 19.26 O ATOM 1135 CB LEU A 71 -12.262 0.762 3.450 1.00 17.10 C ATOM 1136 CG LEU A 71 -12.796 0.065 2.139 1.00 19.37 C ATOM 1137 CD1 LEU A 71 -13.290 1.119 1.105 1.00 17.51 C ATOM 1138 CD2 LEU A 71 -11.789 -0.868 1.388 1.00 19.57 C ATOM 0 H LEU A 71 -10.276 0.894 5.068 1.00 12.71 H new ATOM 0 HA LEU A 71 -10.586 1.565 2.342 1.00 16.06 H new ATOM 0 HB2 LEU A 71 -11.987 -0.021 4.156 1.00 17.10 H new ATOM 0 HB3 LEU A 71 -13.089 1.316 3.895 1.00 17.10 H new ATOM 0 HG LEU A 71 -13.600 -0.567 2.518 1.00 19.37 H new ATOM 0 HD11 LEU A 71 -13.652 0.610 0.212 1.00 17.51 H new ATOM 0 HD12 LEU A 71 -14.098 1.706 1.541 1.00 17.51 H new ATOM 0 HD13 LEU A 71 -12.466 1.780 0.837 1.00 17.51 H new ATOM 0 HD21 LEU A 71 -12.271 -1.288 0.505 1.00 19.57 H new ATOM 0 HD22 LEU A 71 -10.915 -0.291 1.085 1.00 19.57 H new ATOM 0 HD23 LEU A 71 -11.478 -1.676 2.050 1.00 19.57 H new