USER MOD reduce.3.24.130724 H: found=0, std=0, add=911, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 911 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 75 HIS : no HD1:sc= -0.0761 X(o=-0.095,f=-0.19) USER MOD Set 1.2: A 76 THR OG1 : rot 180:sc= 0 USER MOD Set 1.3: A 79 THR OG1 : rot -140:sc= -0.0193 USER MOD Set 2.1: A 25 CYS SG : rot 120:sc= -0.633 USER MOD Set 2.2: A 63 ASN : amide:sc= -0.662 X(o=-1.3,f=-0.96) USER MOD Set 3.1: A 10 THR OG1 : rot 63:sc= 0.0627 USER MOD Set 3.2: A 78 GLN : amide:sc= 0.0099 X(o=0.073,f=0.057) USER MOD Set 4.1: A 4 MET CE :methyl -160:sc= -0.0289 (180deg=0) USER MOD Set 4.2: A 74 ASN : amide:sc= -0.212 K(o=-0.24,f=-1) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0.0412 USER MOD Single : A 3 HIS : no HE2:sc= 0.0586 X(o=0.059,f=-0.41) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 HIS : no HD1:sc= 0 X(o=0,f=-0.0063) USER MOD Single : A 9 ASN : amide:sc= 0 K(o=0,f=-0.74) USER MOD Single : A 11 MET CE :methyl -121:sc= -1.06 (180deg=-3.62!) USER MOD Single : A 23 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 HIS : no HD1:sc= -0.298 X(o=-0.3,f=-0.07) USER MOD Single : A 35 GLN : amide:sc= 0 K(o=0,f=-0.93) USER MOD Single : A 36 GLN :FLIP amide:sc= -0.57 F(o=-2.3,f=-0.57) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0.0444 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 GLN : amide:sc= -0.0754 K(o=-0.075,f=-0.65) USER MOD Single : A 50 GLN : amide:sc= -0.597 X(o=-0.6,f=-0.1) USER MOD Single : A 52 SER OG : rot 89:sc= 0.506 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 54 GLN : amide:sc= -0.65 X(o=-0.65,f=-0.31) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 GLN : amide:sc=-0.00342 X(o=-0.0034,f=0) USER MOD Single : A 60 SER OG : rot 29:sc= 0.396 USER MOD Single : A 62 SER OG : rot 130:sc= 0 USER MOD Single : A 67 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 72 GLN :FLIP amide:sc= -0.168 F(o=-0.73,f=-0.17) USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 LYS NZ :NH3+ 155:sc= -0.0294 (180deg=-0.432) USER MOD Single : A 86 LYS NZ :NH3+ -124:sc= -0.253 (180deg=-0.99) USER MOD Single : A 88 LYS NZ :NH3+ 176:sc= 0.26 (180deg=0.222) USER MOD Single : A 90 HIS : no HD1:sc= -0.127 X(o=-0.13,f=-0.14) USER MOD Single : A 91 ASN : amide:sc= -0.082 X(o=-0.082,f=-0.48) USER MOD Single : A 93 MET CE :methyl 157:sc= -0.0259 (180deg=-0.462) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 TYR OH : rot 180:sc=-0.00088 USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 105 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 TYR OH : rot 165:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 5.711 23.743 3.457 1.00 14.04 N ATOM 2 CA GLY A 1 4.567 23.225 4.255 1.00 13.85 C ATOM 3 C GLY A 1 3.501 22.580 3.391 1.00 13.29 C ATOM 4 O GLY A 1 2.645 23.267 2.833 1.00 13.45 O ATOM 0 H1 GLY A 1 6.412 24.174 4.094 1.00 14.04 H new ATOM 0 H2 GLY A 1 6.153 22.960 2.935 1.00 14.04 H new ATOM 0 H3 GLY A 1 5.369 24.458 2.784 1.00 14.04 H new ATOM 0 HA2 GLY A 1 4.933 22.497 4.979 1.00 13.85 H new ATOM 0 HA3 GLY A 1 4.124 24.043 4.823 1.00 13.85 H new ATOM 10 N SER A 2 3.553 21.257 3.280 1.00 12.81 N ATOM 11 CA SER A 2 2.586 20.515 2.478 1.00 12.44 C ATOM 12 C SER A 2 2.505 19.062 2.934 1.00 11.66 C ATOM 13 O SER A 2 3.189 18.657 3.872 1.00 11.62 O ATOM 14 CB SER A 2 2.966 20.579 0.999 1.00 13.00 C ATOM 15 OG SER A 2 1.882 20.187 0.175 1.00 13.39 O ATOM 0 H SER A 2 4.256 20.675 3.736 1.00 12.81 H new ATOM 0 HA SER A 2 1.607 20.974 2.614 1.00 12.44 H new ATOM 0 HB2 SER A 2 3.273 21.593 0.743 1.00 13.00 H new ATOM 0 HB3 SER A 2 3.822 19.930 0.812 1.00 13.00 H new ATOM 0 HG SER A 2 2.151 20.239 -0.766 1.00 13.39 H new ATOM 21 N HIS A 3 1.661 18.283 2.262 1.00 11.24 N ATOM 22 CA HIS A 3 1.492 16.873 2.597 1.00 10.68 C ATOM 23 C HIS A 3 2.768 16.090 2.309 1.00 9.83 C ATOM 24 O HIS A 3 3.046 15.079 2.954 1.00 9.74 O ATOM 25 CB HIS A 3 0.325 16.277 1.810 1.00 11.22 C ATOM 26 CG HIS A 3 -0.465 15.265 2.583 1.00 11.78 C ATOM 27 ND1 HIS A 3 0.091 14.456 3.550 1.00 12.09 N ATOM 28 CD2 HIS A 3 -1.778 14.934 2.526 1.00 12.30 C ATOM 29 CE1 HIS A 3 -0.844 13.671 4.055 1.00 12.74 C ATOM 30 NE2 HIS A 3 -1.986 13.942 3.452 1.00 12.87 N ATOM 0 H HIS A 3 1.085 18.604 1.484 1.00 11.24 H new ATOM 0 HA HIS A 3 1.276 16.801 3.663 1.00 10.68 H new ATOM 0 HB2 HIS A 3 -0.340 17.082 1.496 1.00 11.22 H new ATOM 0 HB3 HIS A 3 0.710 15.810 0.903 1.00 11.22 H new ATOM 0 HD1 HIS A 3 1.071 14.462 3.832 1.00 12.09 H new ATOM 0 HD2 HIS A 3 -2.521 15.369 1.874 1.00 12.30 H new ATOM 0 HE1 HIS A 3 -0.698 12.933 4.830 1.00 12.74 H new ATOM 39 N MET A 4 3.539 16.564 1.337 1.00 9.43 N ATOM 40 CA MET A 4 4.787 15.909 0.960 1.00 8.83 C ATOM 41 C MET A 4 5.923 16.332 1.884 1.00 8.04 C ATOM 42 O MET A 4 5.928 17.446 2.408 1.00 8.16 O ATOM 43 CB MET A 4 5.143 16.239 -0.490 1.00 9.24 C ATOM 44 CG MET A 4 4.692 15.181 -1.484 1.00 9.89 C ATOM 45 SD MET A 4 2.931 14.816 -1.360 1.00 10.81 S ATOM 46 CE MET A 4 2.285 15.802 -2.707 1.00 11.46 C ATOM 0 H MET A 4 3.322 17.400 0.795 1.00 9.43 H new ATOM 0 HA MET A 4 4.647 14.832 1.056 1.00 8.83 H new ATOM 0 HB2 MET A 4 4.690 17.194 -0.758 1.00 9.24 H new ATOM 0 HB3 MET A 4 6.223 16.364 -0.571 1.00 9.24 H new ATOM 0 HG2 MET A 4 4.919 15.518 -2.495 1.00 9.89 H new ATOM 0 HG3 MET A 4 5.261 14.266 -1.318 1.00 9.89 H new ATOM 0 HE1 MET A 4 1.219 15.973 -2.554 1.00 11.46 H new ATOM 0 HE2 MET A 4 2.805 16.759 -2.739 1.00 11.46 H new ATOM 0 HE3 MET A 4 2.437 15.275 -3.649 1.00 11.46 H new ATOM 56 N SER A 5 6.885 15.435 2.080 1.00 7.48 N ATOM 57 CA SER A 5 8.029 15.713 2.942 1.00 6.96 C ATOM 58 C SER A 5 9.029 16.630 2.245 1.00 5.97 C ATOM 59 O SER A 5 8.993 16.790 1.024 1.00 5.85 O ATOM 60 CB SER A 5 8.714 14.408 3.352 1.00 7.28 C ATOM 61 OG SER A 5 9.187 14.479 4.685 1.00 7.75 O ATOM 0 H SER A 5 6.895 14.509 1.653 1.00 7.48 H new ATOM 0 HA SER A 5 7.663 16.220 3.835 1.00 6.96 H new ATOM 0 HB2 SER A 5 8.013 13.579 3.255 1.00 7.28 H new ATOM 0 HB3 SER A 5 9.546 14.202 2.678 1.00 7.28 H new ATOM 0 HG SER A 5 9.619 13.633 4.924 1.00 7.75 H new ATOM 67 N HIS A 6 9.919 17.229 3.030 1.00 5.62 N ATOM 68 CA HIS A 6 10.931 18.132 2.492 1.00 5.03 C ATOM 69 C HIS A 6 11.847 17.403 1.514 1.00 4.34 C ATOM 70 O HIS A 6 11.822 17.666 0.311 1.00 4.70 O ATOM 71 CB HIS A 6 11.760 18.737 3.626 1.00 5.60 C ATOM 72 CG HIS A 6 11.641 20.226 3.726 1.00 6.21 C ATOM 73 ND1 HIS A 6 12.055 21.083 2.728 1.00 6.80 N ATOM 74 CD2 HIS A 6 11.148 21.012 4.714 1.00 6.70 C ATOM 75 CE1 HIS A 6 11.824 22.331 3.098 1.00 7.53 C ATOM 76 NE2 HIS A 6 11.274 22.313 4.298 1.00 7.49 N ATOM 0 H HIS A 6 9.960 17.105 4.042 1.00 5.62 H new ATOM 0 HA HIS A 6 10.419 18.932 1.957 1.00 5.03 H new ATOM 0 HB2 HIS A 6 11.448 18.292 4.571 1.00 5.60 H new ATOM 0 HB3 HIS A 6 12.808 18.473 3.480 1.00 5.60 H new ATOM 0 HD2 HIS A 6 10.733 20.677 5.653 1.00 6.70 H new ATOM 0 HE1 HIS A 6 12.047 23.214 2.518 1.00 7.53 H new ATOM 0 HE2 HIS A 6 10.989 23.135 4.830 1.00 7.49 H new ATOM 85 N LEU A 7 12.652 16.486 2.038 1.00 3.79 N ATOM 86 CA LEU A 7 13.577 15.718 1.213 1.00 3.54 C ATOM 87 C LEU A 7 13.127 14.265 1.097 1.00 3.05 C ATOM 88 O LEU A 7 12.022 13.914 1.515 1.00 3.39 O ATOM 89 CB LEU A 7 14.990 15.781 1.797 1.00 4.07 C ATOM 90 CG LEU A 7 16.065 16.293 0.838 1.00 4.94 C ATOM 91 CD1 LEU A 7 16.732 17.540 1.399 1.00 5.66 C ATOM 92 CD2 LEU A 7 17.098 15.209 0.569 1.00 5.67 C ATOM 0 H LEU A 7 12.683 16.256 3.031 1.00 3.79 H new ATOM 0 HA LEU A 7 13.584 16.158 0.216 1.00 3.54 H new ATOM 0 HB2 LEU A 7 14.974 16.424 2.677 1.00 4.07 H new ATOM 0 HB3 LEU A 7 15.272 14.784 2.135 1.00 4.07 H new ATOM 0 HG LEU A 7 15.588 16.555 -0.106 1.00 4.94 H new ATOM 0 HD11 LEU A 7 17.494 17.890 0.703 1.00 5.66 H new ATOM 0 HD12 LEU A 7 15.984 18.320 1.540 1.00 5.66 H new ATOM 0 HD13 LEU A 7 17.196 17.305 2.357 1.00 5.66 H new ATOM 0 HD21 LEU A 7 17.856 15.590 -0.115 1.00 5.67 H new ATOM 0 HD22 LEU A 7 17.570 14.916 1.507 1.00 5.67 H new ATOM 0 HD23 LEU A 7 16.609 14.343 0.123 1.00 5.67 H new ATOM 104 N ASP A 8 13.990 13.427 0.531 1.00 2.65 N ATOM 105 CA ASP A 8 13.688 12.009 0.357 1.00 2.38 C ATOM 106 C ASP A 8 12.401 11.821 -0.441 1.00 2.22 C ATOM 107 O ASP A 8 11.331 11.606 0.128 1.00 2.74 O ATOM 108 CB ASP A 8 13.564 11.320 1.718 1.00 2.57 C ATOM 109 CG ASP A 8 14.727 11.639 2.636 1.00 3.32 C ATOM 110 OD1 ASP A 8 15.887 11.491 2.198 1.00 3.77 O ATOM 111 OD2 ASP A 8 14.478 12.034 3.795 1.00 3.86 O ATOM 0 H ASP A 8 14.908 13.706 0.184 1.00 2.65 H new ATOM 0 HA ASP A 8 14.508 11.554 -0.198 1.00 2.38 H new ATOM 0 HB2 ASP A 8 12.633 11.628 2.195 1.00 2.57 H new ATOM 0 HB3 ASP A 8 13.505 10.241 1.572 1.00 2.57 H new ATOM 116 N ASN A 9 12.514 11.902 -1.763 1.00 1.98 N ATOM 117 CA ASN A 9 11.360 11.740 -2.640 1.00 2.16 C ATOM 118 C ASN A 9 11.641 10.706 -3.725 1.00 1.77 C ATOM 119 O ASN A 9 12.487 10.917 -4.594 1.00 2.00 O ATOM 120 CB ASN A 9 10.989 13.079 -3.279 1.00 2.89 C ATOM 121 CG ASN A 9 9.499 13.206 -3.531 1.00 3.63 C ATOM 122 OD1 ASN A 9 8.830 12.231 -3.871 1.00 4.06 O ATOM 123 ND2 ASN A 9 8.973 14.414 -3.366 1.00 4.31 N ATOM 0 H ASN A 9 13.393 12.079 -2.250 1.00 1.98 H new ATOM 0 HA ASN A 9 10.523 11.388 -2.037 1.00 2.16 H new ATOM 0 HB2 ASN A 9 11.315 13.891 -2.630 1.00 2.89 H new ATOM 0 HB3 ASN A 9 11.525 13.190 -4.222 1.00 2.89 H new ATOM 0 HD21 ASN A 9 7.976 14.562 -3.522 1.00 4.31 H new ATOM 0 HD22 ASN A 9 9.566 15.194 -3.083 1.00 4.31 H new ATOM 130 N THR A 10 10.925 9.587 -3.668 1.00 1.51 N ATOM 131 CA THR A 10 11.095 8.519 -4.646 1.00 1.25 C ATOM 132 C THR A 10 10.102 8.666 -5.794 1.00 1.22 C ATOM 133 O THR A 10 10.439 9.189 -6.856 1.00 1.93 O ATOM 134 CB THR A 10 10.917 7.131 -4.000 1.00 1.11 C ATOM 135 OG1 THR A 10 10.246 7.259 -2.740 1.00 1.23 O ATOM 136 CG2 THR A 10 12.263 6.451 -3.795 1.00 1.18 C ATOM 0 H THR A 10 10.221 9.397 -2.954 1.00 1.51 H new ATOM 0 HA THR A 10 12.110 8.601 -5.034 1.00 1.25 H new ATOM 0 HB THR A 10 10.316 6.518 -4.672 1.00 1.11 H new ATOM 0 HG1 THR A 10 9.347 7.622 -2.883 1.00 1.23 H new ATOM 0 HG21 THR A 10 12.111 5.473 -3.338 1.00 1.18 H new ATOM 0 HG22 THR A 10 12.759 6.328 -4.758 1.00 1.18 H new ATOM 0 HG23 THR A 10 12.885 7.064 -3.142 1.00 1.18 H new ATOM 144 N MET A 11 8.875 8.200 -5.573 1.00 0.77 N ATOM 145 CA MET A 11 7.831 8.282 -6.586 1.00 0.68 C ATOM 146 C MET A 11 6.451 8.109 -5.958 1.00 0.61 C ATOM 147 O MET A 11 6.217 7.161 -5.208 1.00 0.63 O ATOM 148 CB MET A 11 8.050 7.219 -7.667 1.00 0.70 C ATOM 149 CG MET A 11 8.254 5.817 -7.114 1.00 0.72 C ATOM 150 SD MET A 11 8.848 4.656 -8.361 1.00 1.23 S ATOM 151 CE MET A 11 7.495 3.481 -8.404 1.00 0.74 C ATOM 0 H MET A 11 8.581 7.762 -4.700 1.00 0.77 H new ATOM 0 HA MET A 11 7.882 9.269 -7.045 1.00 0.68 H new ATOM 0 HB2 MET A 11 7.191 7.214 -8.338 1.00 0.70 H new ATOM 0 HB3 MET A 11 8.919 7.494 -8.264 1.00 0.70 H new ATOM 0 HG2 MET A 11 8.967 5.856 -6.291 1.00 0.72 H new ATOM 0 HG3 MET A 11 7.313 5.452 -6.703 1.00 0.72 H new ATOM 0 HE1 MET A 11 7.868 2.488 -8.153 1.00 0.74 H new ATOM 0 HE2 MET A 11 6.734 3.776 -7.682 1.00 0.74 H new ATOM 0 HE3 MET A 11 7.060 3.464 -9.403 1.00 0.74 H new ATOM 161 N ALA A 12 5.547 9.036 -6.260 1.00 0.57 N ATOM 162 CA ALA A 12 4.188 8.987 -5.732 1.00 0.56 C ATOM 163 C ALA A 12 3.551 7.625 -5.979 1.00 0.48 C ATOM 164 O ALA A 12 3.962 6.891 -6.877 1.00 0.46 O ATOM 165 CB ALA A 12 3.342 10.089 -6.352 1.00 0.62 C ATOM 0 H ALA A 12 5.732 9.833 -6.870 1.00 0.57 H new ATOM 0 HA ALA A 12 4.237 9.144 -4.655 1.00 0.56 H new ATOM 0 HB1 ALA A 12 2.330 10.041 -5.949 1.00 0.62 H new ATOM 0 HB2 ALA A 12 3.780 11.059 -6.118 1.00 0.62 H new ATOM 0 HB3 ALA A 12 3.309 9.957 -7.433 1.00 0.62 H new ATOM 171 N ILE A 13 2.550 7.294 -5.172 1.00 0.46 N ATOM 172 CA ILE A 13 1.854 6.021 -5.303 1.00 0.44 C ATOM 173 C ILE A 13 1.279 5.863 -6.708 1.00 0.43 C ATOM 174 O ILE A 13 1.116 4.746 -7.202 1.00 0.45 O ATOM 175 CB ILE A 13 0.736 5.890 -4.240 1.00 0.48 C ATOM 176 CG1 ILE A 13 1.057 4.745 -3.277 1.00 0.65 C ATOM 177 CG2 ILE A 13 -0.631 5.676 -4.882 1.00 0.54 C ATOM 178 CD1 ILE A 13 0.441 4.918 -1.905 1.00 0.58 C ATOM 0 H ILE A 13 2.203 7.890 -4.420 1.00 0.46 H new ATOM 0 HA ILE A 13 2.577 5.223 -5.135 1.00 0.44 H new ATOM 0 HB ILE A 13 0.694 6.826 -3.683 1.00 0.48 H new ATOM 0 HG12 ILE A 13 0.705 3.808 -3.709 1.00 0.65 H new ATOM 0 HG13 ILE A 13 2.139 4.661 -3.173 1.00 0.65 H new ATOM 0 HG21 ILE A 13 -1.389 5.589 -4.104 1.00 0.54 H new ATOM 0 HG22 ILE A 13 -0.867 6.523 -5.525 1.00 0.54 H new ATOM 0 HG23 ILE A 13 -0.615 4.763 -5.477 1.00 0.54 H new ATOM 0 HD11 ILE A 13 0.710 4.070 -1.276 1.00 0.58 H new ATOM 0 HD12 ILE A 13 0.812 5.838 -1.453 1.00 0.58 H new ATOM 0 HD13 ILE A 13 -0.644 4.971 -1.997 1.00 0.58 H new ATOM 190 N ARG A 14 0.974 6.989 -7.345 1.00 0.47 N ATOM 191 CA ARG A 14 0.428 6.983 -8.697 1.00 0.53 C ATOM 192 C ARG A 14 1.359 6.234 -9.645 1.00 0.51 C ATOM 193 O ARG A 14 0.912 5.597 -10.599 1.00 0.66 O ATOM 194 CB ARG A 14 0.217 8.416 -9.192 1.00 0.62 C ATOM 195 CG ARG A 14 -0.372 8.499 -10.590 1.00 1.28 C ATOM 196 CD ARG A 14 0.627 9.073 -11.581 1.00 1.42 C ATOM 197 NE ARG A 14 0.165 10.335 -12.155 1.00 1.82 N ATOM 198 CZ ARG A 14 0.951 11.390 -12.346 1.00 2.23 C ATOM 199 NH1 ARG A 14 2.234 11.339 -12.008 1.00 2.63 N ATOM 200 NH2 ARG A 14 0.455 12.501 -12.875 1.00 2.82 N ATOM 0 H ARG A 14 1.096 7.919 -6.945 1.00 0.47 H new ATOM 0 HA ARG A 14 -0.535 6.472 -8.677 1.00 0.53 H new ATOM 0 HB2 ARG A 14 -0.442 8.937 -8.498 1.00 0.62 H new ATOM 0 HB3 ARG A 14 1.173 8.940 -9.178 1.00 0.62 H new ATOM 0 HG2 ARG A 14 -0.680 7.506 -10.916 1.00 1.28 H new ATOM 0 HG3 ARG A 14 -1.267 9.120 -10.573 1.00 1.28 H new ATOM 0 HD2 ARG A 14 1.583 9.230 -11.082 1.00 1.42 H new ATOM 0 HD3 ARG A 14 0.799 8.353 -12.381 1.00 1.42 H new ATOM 0 HE ARG A 14 -0.816 10.411 -12.424 1.00 1.82 H new ATOM 0 HH11 ARG A 14 2.620 10.488 -11.600 1.00 2.63 H new ATOM 0 HH12 ARG A 14 2.833 12.151 -12.156 1.00 2.63 H new ATOM 0 HH21 ARG A 14 -0.530 12.546 -13.135 1.00 2.82 H new ATOM 0 HH22 ARG A 14 1.059 13.310 -13.021 1.00 2.82 H new ATOM 214 N LEU A 15 2.658 6.318 -9.372 1.00 0.43 N ATOM 215 CA LEU A 15 3.659 5.645 -10.191 1.00 0.46 C ATOM 216 C LEU A 15 3.510 4.132 -10.080 1.00 0.42 C ATOM 217 O LEU A 15 3.697 3.409 -11.059 1.00 0.44 O ATOM 218 CB LEU A 15 5.067 6.068 -9.763 1.00 0.54 C ATOM 219 CG LEU A 15 5.955 6.620 -10.884 1.00 0.64 C ATOM 220 CD1 LEU A 15 6.194 5.563 -11.950 1.00 1.44 C ATOM 221 CD2 LEU A 15 5.333 7.867 -11.495 1.00 1.51 C ATOM 0 H LEU A 15 3.042 6.847 -8.588 1.00 0.43 H new ATOM 0 HA LEU A 15 3.505 5.935 -11.231 1.00 0.46 H new ATOM 0 HB2 LEU A 15 4.980 6.826 -8.985 1.00 0.54 H new ATOM 0 HB3 LEU A 15 5.567 5.208 -9.316 1.00 0.54 H new ATOM 0 HG LEU A 15 6.918 6.893 -10.453 1.00 0.64 H new ATOM 0 HD11 LEU A 15 6.826 5.976 -12.736 1.00 1.44 H new ATOM 0 HD12 LEU A 15 6.687 4.700 -11.503 1.00 1.44 H new ATOM 0 HD13 LEU A 15 5.240 5.254 -12.377 1.00 1.44 H new ATOM 0 HD21 LEU A 15 5.978 8.244 -12.289 1.00 1.51 H new ATOM 0 HD22 LEU A 15 4.355 7.621 -11.909 1.00 1.51 H new ATOM 0 HD23 LEU A 15 5.220 8.631 -10.726 1.00 1.51 H new ATOM 233 N LEU A 16 3.177 3.663 -8.879 1.00 0.38 N ATOM 234 CA LEU A 16 2.995 2.235 -8.631 1.00 0.38 C ATOM 235 C LEU A 16 2.017 1.632 -9.639 1.00 0.36 C ATOM 236 O LEU A 16 0.816 1.897 -9.578 1.00 0.35 O ATOM 237 CB LEU A 16 2.477 2.005 -7.207 1.00 0.39 C ATOM 238 CG LEU A 16 3.083 0.804 -6.472 1.00 0.67 C ATOM 239 CD1 LEU A 16 2.789 -0.492 -7.215 1.00 0.92 C ATOM 240 CD2 LEU A 16 4.584 0.986 -6.292 1.00 0.93 C ATOM 0 H LEU A 16 3.027 4.253 -8.061 1.00 0.38 H new ATOM 0 HA LEU A 16 3.962 1.744 -8.744 1.00 0.38 H new ATOM 0 HB2 LEU A 16 2.668 2.903 -6.620 1.00 0.39 H new ATOM 0 HB3 LEU A 16 1.395 1.876 -7.249 1.00 0.39 H new ATOM 0 HG LEU A 16 2.622 0.744 -5.486 1.00 0.67 H new ATOM 0 HD11 LEU A 16 3.229 -1.330 -6.674 1.00 0.92 H new ATOM 0 HD12 LEU A 16 1.711 -0.633 -7.287 1.00 0.92 H new ATOM 0 HD13 LEU A 16 3.216 -0.442 -8.216 1.00 0.92 H new ATOM 0 HD21 LEU A 16 4.995 0.123 -5.768 1.00 0.93 H new ATOM 0 HD22 LEU A 16 5.059 1.078 -7.269 1.00 0.93 H new ATOM 0 HD23 LEU A 16 4.774 1.888 -5.710 1.00 0.93 H new ATOM 252 N PRO A 17 2.515 0.812 -10.587 1.00 0.38 N ATOM 253 CA PRO A 17 1.666 0.179 -11.602 1.00 0.40 C ATOM 254 C PRO A 17 0.521 -0.615 -10.982 1.00 0.35 C ATOM 255 O PRO A 17 0.747 -1.607 -10.290 1.00 0.35 O ATOM 256 CB PRO A 17 2.626 -0.755 -12.345 1.00 0.46 C ATOM 257 CG PRO A 17 3.979 -0.177 -12.112 1.00 0.48 C ATOM 258 CD PRO A 17 3.934 0.439 -10.744 1.00 0.43 C ATOM 0 HA PRO A 17 1.187 0.915 -12.248 1.00 0.40 H new ATOM 0 HB2 PRO A 17 2.560 -1.774 -11.963 1.00 0.46 H new ATOM 0 HB3 PRO A 17 2.392 -0.797 -13.409 1.00 0.46 H new ATOM 0 HG2 PRO A 17 4.748 -0.948 -12.168 1.00 0.48 H new ATOM 0 HG3 PRO A 17 4.220 0.570 -12.869 1.00 0.48 H new ATOM 0 HD2 PRO A 17 4.252 -0.265 -9.975 1.00 0.43 H new ATOM 0 HD3 PRO A 17 4.589 1.307 -10.672 1.00 0.43 H new ATOM 266 N LEU A 18 -0.708 -0.168 -11.233 1.00 0.40 N ATOM 267 CA LEU A 18 -1.893 -0.834 -10.700 1.00 0.41 C ATOM 268 C LEU A 18 -1.923 -2.323 -11.069 1.00 0.36 C ATOM 269 O LEU A 18 -2.128 -3.166 -10.196 1.00 0.37 O ATOM 270 CB LEU A 18 -3.168 -0.144 -11.191 1.00 0.51 C ATOM 271 CG LEU A 18 -4.459 -0.634 -10.533 1.00 0.76 C ATOM 272 CD1 LEU A 18 -4.745 0.151 -9.263 1.00 1.36 C ATOM 273 CD2 LEU A 18 -5.625 -0.525 -11.504 1.00 1.64 C ATOM 0 H LEU A 18 -0.908 0.654 -11.803 1.00 0.40 H new ATOM 0 HA LEU A 18 -1.845 -0.760 -9.614 1.00 0.41 H new ATOM 0 HB2 LEU A 18 -3.073 0.928 -11.018 1.00 0.51 H new ATOM 0 HB3 LEU A 18 -3.249 -0.287 -12.268 1.00 0.51 H new ATOM 0 HG LEU A 18 -4.331 -1.683 -10.264 1.00 0.76 H new ATOM 0 HD11 LEU A 18 -5.667 -0.213 -8.810 1.00 1.36 H new ATOM 0 HD12 LEU A 18 -3.921 0.021 -8.562 1.00 1.36 H new ATOM 0 HD13 LEU A 18 -4.852 1.208 -9.505 1.00 1.36 H new ATOM 0 HD21 LEU A 18 -6.536 -0.878 -11.020 1.00 1.64 H new ATOM 0 HD22 LEU A 18 -5.753 0.515 -11.804 1.00 1.64 H new ATOM 0 HD23 LEU A 18 -5.423 -1.134 -12.385 1.00 1.64 H new ATOM 285 N PRO A 19 -1.725 -2.678 -12.362 1.00 0.36 N ATOM 286 CA PRO A 19 -1.733 -4.080 -12.797 1.00 0.41 C ATOM 287 C PRO A 19 -0.797 -4.943 -11.958 1.00 0.39 C ATOM 288 O PRO A 19 -1.029 -6.139 -11.783 1.00 0.44 O ATOM 289 CB PRO A 19 -1.254 -4.025 -14.256 1.00 0.49 C ATOM 290 CG PRO A 19 -0.733 -2.641 -14.456 1.00 0.59 C ATOM 291 CD PRO A 19 -1.486 -1.770 -13.495 1.00 0.40 C ATOM 0 HA PRO A 19 -2.720 -4.530 -12.688 1.00 0.41 H new ATOM 0 HB2 PRO A 19 -0.477 -4.767 -14.442 1.00 0.49 H new ATOM 0 HB3 PRO A 19 -2.071 -4.240 -14.945 1.00 0.49 H new ATOM 0 HG2 PRO A 19 0.339 -2.597 -14.264 1.00 0.59 H new ATOM 0 HG3 PRO A 19 -0.887 -2.311 -15.484 1.00 0.59 H new ATOM 0 HD2 PRO A 19 -0.906 -0.896 -13.199 1.00 0.40 H new ATOM 0 HD3 PRO A 19 -2.418 -1.403 -13.925 1.00 0.40 H new ATOM 299 N VAL A 20 0.262 -4.325 -11.442 1.00 0.38 N ATOM 300 CA VAL A 20 1.229 -5.029 -10.610 1.00 0.44 C ATOM 301 C VAL A 20 0.775 -5.036 -9.155 1.00 0.42 C ATOM 302 O VAL A 20 1.010 -5.996 -8.422 1.00 0.46 O ATOM 303 CB VAL A 20 2.627 -4.386 -10.705 1.00 0.51 C ATOM 304 CG1 VAL A 20 3.628 -5.142 -9.844 1.00 0.65 C ATOM 305 CG2 VAL A 20 3.091 -4.335 -12.153 1.00 0.56 C ATOM 0 H VAL A 20 0.471 -3.337 -11.587 1.00 0.38 H new ATOM 0 HA VAL A 20 1.292 -6.053 -10.978 1.00 0.44 H new ATOM 0 HB VAL A 20 2.562 -3.365 -10.329 1.00 0.51 H new ATOM 0 HG11 VAL A 20 4.608 -4.671 -9.926 1.00 0.65 H new ATOM 0 HG12 VAL A 20 3.302 -5.122 -8.804 1.00 0.65 H new ATOM 0 HG13 VAL A 20 3.693 -6.176 -10.184 1.00 0.65 H new ATOM 0 HG21 VAL A 20 4.079 -3.878 -12.202 1.00 0.56 H new ATOM 0 HG22 VAL A 20 3.138 -5.347 -12.556 1.00 0.56 H new ATOM 0 HG23 VAL A 20 2.388 -3.743 -12.740 1.00 0.56 H new ATOM 315 N ARG A 21 0.126 -3.951 -8.745 1.00 0.42 N ATOM 316 CA ARG A 21 -0.375 -3.822 -7.382 1.00 0.46 C ATOM 317 C ARG A 21 -1.382 -4.924 -7.074 1.00 0.39 C ATOM 318 O ARG A 21 -1.465 -5.408 -5.946 1.00 0.38 O ATOM 319 CB ARG A 21 -1.033 -2.456 -7.191 1.00 0.54 C ATOM 320 CG ARG A 21 -1.472 -2.185 -5.761 1.00 1.17 C ATOM 321 CD ARG A 21 -0.497 -1.267 -5.042 1.00 0.77 C ATOM 322 NE ARG A 21 -0.429 -1.555 -3.612 1.00 1.75 N ATOM 323 CZ ARG A 21 0.605 -2.153 -3.029 1.00 2.57 C ATOM 324 NH1 ARG A 21 1.656 -2.519 -3.748 1.00 2.82 N ATOM 325 NH2 ARG A 21 0.588 -2.384 -1.724 1.00 3.62 N ATOM 0 H ARG A 21 -0.066 -3.145 -9.340 1.00 0.42 H new ATOM 0 HA ARG A 21 0.468 -3.915 -6.697 1.00 0.46 H new ATOM 0 HB2 ARG A 21 -0.334 -1.679 -7.501 1.00 0.54 H new ATOM 0 HB3 ARG A 21 -1.900 -2.385 -7.848 1.00 0.54 H new ATOM 0 HG2 ARG A 21 -2.464 -1.733 -5.764 1.00 1.17 H new ATOM 0 HG3 ARG A 21 -1.552 -3.128 -5.219 1.00 1.17 H new ATOM 0 HD2 ARG A 21 0.495 -1.375 -5.481 1.00 0.77 H new ATOM 0 HD3 ARG A 21 -0.799 -0.230 -5.189 1.00 0.77 H new ATOM 0 HE ARG A 21 -1.219 -1.282 -3.028 1.00 1.75 H new ATOM 0 HH11 ARG A 21 1.673 -2.342 -4.752 1.00 2.82 H new ATOM 0 HH12 ARG A 21 2.448 -2.978 -3.297 1.00 2.82 H new ATOM 0 HH21 ARG A 21 -0.219 -2.103 -1.167 1.00 3.62 H new ATOM 0 HH22 ARG A 21 1.382 -2.843 -1.277 1.00 3.62 H new ATOM 339 N ALA A 22 -2.147 -5.307 -8.091 1.00 0.40 N ATOM 340 CA ALA A 22 -3.158 -6.346 -7.947 1.00 0.40 C ATOM 341 C ALA A 22 -2.554 -7.646 -7.427 1.00 0.35 C ATOM 342 O ALA A 22 -3.246 -8.460 -6.814 1.00 0.37 O ATOM 343 CB ALA A 22 -3.855 -6.578 -9.278 1.00 0.48 C ATOM 0 H ALA A 22 -2.084 -4.910 -9.029 1.00 0.40 H new ATOM 0 HA ALA A 22 -3.890 -6.008 -7.213 1.00 0.40 H new ATOM 0 HB1 ALA A 22 -4.610 -7.356 -9.163 1.00 0.48 H new ATOM 0 HB2 ALA A 22 -4.333 -5.654 -9.604 1.00 0.48 H new ATOM 0 HB3 ALA A 22 -3.123 -6.890 -10.023 1.00 0.48 H new ATOM 349 N GLN A 23 -1.262 -7.838 -7.674 1.00 0.36 N ATOM 350 CA GLN A 23 -0.571 -9.042 -7.225 1.00 0.39 C ATOM 351 C GLN A 23 -0.472 -9.069 -5.705 1.00 0.34 C ATOM 352 O GLN A 23 -0.775 -10.081 -5.071 1.00 0.42 O ATOM 353 CB GLN A 23 0.827 -9.118 -7.840 1.00 0.49 C ATOM 354 CG GLN A 23 0.865 -9.838 -9.178 1.00 0.96 C ATOM 355 CD GLN A 23 2.259 -10.305 -9.549 1.00 1.44 C ATOM 356 OE1 GLN A 23 3.081 -9.525 -10.028 1.00 2.14 O ATOM 357 NE2 GLN A 23 2.531 -11.585 -9.328 1.00 2.10 N ATOM 0 H GLN A 23 -0.673 -7.177 -8.181 1.00 0.36 H new ATOM 0 HA GLN A 23 -1.148 -9.907 -7.553 1.00 0.39 H new ATOM 0 HB2 GLN A 23 1.213 -8.107 -7.970 1.00 0.49 H new ATOM 0 HB3 GLN A 23 1.494 -9.627 -7.144 1.00 0.49 H new ATOM 0 HG2 GLN A 23 0.195 -10.697 -9.143 1.00 0.96 H new ATOM 0 HG3 GLN A 23 0.490 -9.172 -9.955 1.00 0.96 H new ATOM 0 HE21 GLN A 23 1.819 -12.196 -8.929 1.00 2.10 H new ATOM 0 HE22 GLN A 23 3.452 -11.958 -9.557 1.00 2.10 H new ATOM 366 N LEU A 24 -0.047 -7.951 -5.123 1.00 0.29 N ATOM 367 CA LEU A 24 0.088 -7.847 -3.676 1.00 0.30 C ATOM 368 C LEU A 24 -1.280 -7.706 -3.017 1.00 0.30 C ATOM 369 O LEU A 24 -1.462 -8.071 -1.855 1.00 0.31 O ATOM 370 CB LEU A 24 0.977 -6.655 -3.306 1.00 0.38 C ATOM 371 CG LEU A 24 1.121 -6.387 -1.804 1.00 0.43 C ATOM 372 CD1 LEU A 24 1.619 -7.628 -1.079 1.00 1.51 C ATOM 373 CD2 LEU A 24 2.062 -5.218 -1.561 1.00 1.40 C ATOM 0 H LEU A 24 0.209 -7.105 -5.632 1.00 0.29 H new ATOM 0 HA LEU A 24 0.556 -8.761 -3.311 1.00 0.30 H new ATOM 0 HB2 LEU A 24 1.969 -6.819 -3.726 1.00 0.38 H new ATOM 0 HB3 LEU A 24 0.574 -5.761 -3.781 1.00 0.38 H new ATOM 0 HG LEU A 24 0.138 -6.131 -1.408 1.00 0.43 H new ATOM 0 HD11 LEU A 24 1.714 -7.414 -0.014 1.00 1.51 H new ATOM 0 HD12 LEU A 24 0.910 -8.443 -1.224 1.00 1.51 H new ATOM 0 HD13 LEU A 24 2.591 -7.917 -1.479 1.00 1.51 H new ATOM 0 HD21 LEU A 24 2.153 -5.041 -0.489 1.00 1.40 H new ATOM 0 HD22 LEU A 24 3.043 -5.449 -1.975 1.00 1.40 H new ATOM 0 HD23 LEU A 24 1.665 -4.325 -2.044 1.00 1.40 H new ATOM 385 N CYS A 25 -2.239 -7.175 -3.768 1.00 0.34 N ATOM 386 CA CYS A 25 -3.593 -6.993 -3.261 1.00 0.39 C ATOM 387 C CYS A 25 -4.209 -8.339 -2.899 1.00 0.39 C ATOM 388 O CYS A 25 -4.862 -8.478 -1.864 1.00 0.42 O ATOM 389 CB CYS A 25 -4.460 -6.283 -4.301 1.00 0.47 C ATOM 390 SG CYS A 25 -4.240 -4.489 -4.343 1.00 0.55 S ATOM 0 H CYS A 25 -2.103 -6.863 -4.730 1.00 0.34 H new ATOM 0 HA CYS A 25 -3.545 -6.376 -2.364 1.00 0.39 H new ATOM 0 HB2 CYS A 25 -4.233 -6.689 -5.287 1.00 0.47 H new ATOM 0 HB3 CYS A 25 -5.508 -6.505 -4.098 1.00 0.47 H new ATOM 0 HG CYS A 25 -3.827 -4.130 -5.522 1.00 0.55 H new ATOM 396 N ALA A 26 -3.995 -9.327 -3.762 1.00 0.40 N ATOM 397 CA ALA A 26 -4.515 -10.669 -3.536 1.00 0.45 C ATOM 398 C ALA A 26 -3.953 -11.253 -2.246 1.00 0.42 C ATOM 399 O ALA A 26 -4.663 -11.922 -1.494 1.00 0.46 O ATOM 400 CB ALA A 26 -4.177 -11.567 -4.714 1.00 0.52 C ATOM 0 H ALA A 26 -3.463 -9.222 -4.626 1.00 0.40 H new ATOM 0 HA ALA A 26 -5.599 -10.608 -3.440 1.00 0.45 H new ATOM 0 HB1 ALA A 26 -4.571 -12.567 -4.534 1.00 0.52 H new ATOM 0 HB2 ALA A 26 -4.623 -11.160 -5.622 1.00 0.52 H new ATOM 0 HB3 ALA A 26 -3.095 -11.619 -4.833 1.00 0.52 H new ATOM 406 N HIS A 27 -2.672 -10.996 -2.002 1.00 0.37 N ATOM 407 CA HIS A 27 -2.005 -11.488 -0.805 1.00 0.37 C ATOM 408 C HIS A 27 -2.694 -10.957 0.448 1.00 0.38 C ATOM 409 O HIS A 27 -3.102 -11.725 1.319 1.00 0.44 O ATOM 410 CB HIS A 27 -0.531 -11.072 -0.818 1.00 0.37 C ATOM 411 CG HIS A 27 0.119 -11.097 0.532 1.00 0.42 C ATOM 412 ND1 HIS A 27 0.481 -12.264 1.171 1.00 0.62 N ATOM 413 CD2 HIS A 27 0.473 -10.088 1.365 1.00 0.55 C ATOM 414 CE1 HIS A 27 1.027 -11.973 2.339 1.00 0.72 C ATOM 415 NE2 HIS A 27 1.034 -10.661 2.480 1.00 0.68 N ATOM 0 H HIS A 27 -2.075 -10.448 -2.621 1.00 0.37 H new ATOM 0 HA HIS A 27 -2.065 -12.576 -0.795 1.00 0.37 H new ATOM 0 HB2 HIS A 27 0.018 -11.735 -1.487 1.00 0.37 H new ATOM 0 HB3 HIS A 27 -0.451 -10.066 -1.230 1.00 0.37 H new ATOM 0 HD2 HIS A 27 0.339 -9.031 1.186 1.00 0.55 H new ATOM 0 HE1 HIS A 27 1.403 -12.688 3.056 1.00 0.72 H new ATOM 0 HE2 HIS A 27 1.397 -10.154 3.287 1.00 0.68 H new ATOM 424 N LEU A 28 -2.819 -9.635 0.528 1.00 0.37 N ATOM 425 CA LEU A 28 -3.464 -8.993 1.668 1.00 0.45 C ATOM 426 C LEU A 28 -4.908 -9.462 1.814 1.00 0.49 C ATOM 427 O LEU A 28 -5.451 -9.499 2.918 1.00 0.51 O ATOM 428 CB LEU A 28 -3.423 -7.472 1.511 1.00 0.51 C ATOM 429 CG LEU A 28 -2.104 -6.818 1.926 1.00 0.56 C ATOM 430 CD1 LEU A 28 -1.492 -6.062 0.758 1.00 1.09 C ATOM 431 CD2 LEU A 28 -2.325 -5.889 3.110 1.00 0.99 C ATOM 0 H LEU A 28 -2.482 -8.987 -0.184 1.00 0.37 H new ATOM 0 HA LEU A 28 -2.918 -9.275 2.569 1.00 0.45 H new ATOM 0 HB2 LEU A 28 -3.623 -7.223 0.469 1.00 0.51 H new ATOM 0 HB3 LEU A 28 -4.229 -7.038 2.103 1.00 0.51 H new ATOM 0 HG LEU A 28 -1.408 -7.601 2.227 1.00 0.56 H new ATOM 0 HD11 LEU A 28 -0.554 -5.604 1.072 1.00 1.09 H new ATOM 0 HD12 LEU A 28 -1.301 -6.753 -0.063 1.00 1.09 H new ATOM 0 HD13 LEU A 28 -2.182 -5.286 0.425 1.00 1.09 H new ATOM 0 HD21 LEU A 28 -1.378 -5.431 3.395 1.00 0.99 H new ATOM 0 HD22 LEU A 28 -3.036 -5.111 2.834 1.00 0.99 H new ATOM 0 HD23 LEU A 28 -2.719 -6.459 3.951 1.00 0.99 H new ATOM 443 N ASP A 29 -5.525 -9.818 0.691 1.00 0.60 N ATOM 444 CA ASP A 29 -6.906 -10.285 0.691 1.00 0.69 C ATOM 445 C ASP A 29 -7.042 -11.577 1.490 1.00 0.57 C ATOM 446 O ASP A 29 -8.036 -11.787 2.186 1.00 0.55 O ATOM 447 CB ASP A 29 -7.395 -10.504 -0.743 1.00 0.94 C ATOM 448 CG ASP A 29 -8.574 -9.618 -1.094 1.00 0.97 C ATOM 449 OD1 ASP A 29 -8.409 -8.380 -1.089 1.00 1.20 O ATOM 450 OD2 ASP A 29 -9.663 -10.162 -1.375 1.00 1.12 O ATOM 0 H ASP A 29 -5.089 -9.792 -0.231 1.00 0.60 H new ATOM 0 HA ASP A 29 -7.522 -9.519 1.163 1.00 0.69 H new ATOM 0 HB2 ASP A 29 -6.577 -10.308 -1.437 1.00 0.94 H new ATOM 0 HB3 ASP A 29 -7.678 -11.549 -0.872 1.00 0.94 H new ATOM 455 N ALA A 30 -6.035 -12.439 1.385 1.00 0.56 N ATOM 456 CA ALA A 30 -6.039 -13.710 2.099 1.00 0.58 C ATOM 457 C ALA A 30 -5.904 -13.492 3.602 1.00 0.46 C ATOM 458 O ALA A 30 -6.495 -14.218 4.401 1.00 0.54 O ATOM 459 CB ALA A 30 -4.917 -14.604 1.591 1.00 0.68 C ATOM 0 H ALA A 30 -5.206 -12.280 0.812 1.00 0.56 H new ATOM 0 HA ALA A 30 -6.993 -14.202 1.912 1.00 0.58 H new ATOM 0 HB1 ALA A 30 -4.932 -15.550 2.133 1.00 0.68 H new ATOM 0 HB2 ALA A 30 -5.056 -14.793 0.527 1.00 0.68 H new ATOM 0 HB3 ALA A 30 -3.958 -14.110 1.749 1.00 0.68 H new ATOM 465 N LEU A 31 -5.119 -12.487 3.979 1.00 0.37 N ATOM 466 CA LEU A 31 -4.905 -12.168 5.385 1.00 0.40 C ATOM 467 C LEU A 31 -6.157 -11.551 5.998 1.00 0.40 C ATOM 468 O LEU A 31 -6.289 -11.475 7.220 1.00 0.45 O ATOM 469 CB LEU A 31 -3.723 -11.209 5.535 1.00 0.45 C ATOM 470 CG LEU A 31 -2.404 -11.871 5.930 1.00 0.64 C ATOM 471 CD1 LEU A 31 -1.254 -11.263 5.147 1.00 1.10 C ATOM 472 CD2 LEU A 31 -2.166 -11.735 7.425 1.00 1.16 C ATOM 0 H LEU A 31 -4.620 -11.879 3.329 1.00 0.37 H new ATOM 0 HA LEU A 31 -4.682 -13.094 5.914 1.00 0.40 H new ATOM 0 HB2 LEU A 31 -3.580 -10.681 4.592 1.00 0.45 H new ATOM 0 HB3 LEU A 31 -3.975 -10.459 6.285 1.00 0.45 H new ATOM 0 HG LEU A 31 -2.462 -12.932 5.689 1.00 0.64 H new ATOM 0 HD11 LEU A 31 -0.321 -11.744 5.439 1.00 1.10 H new ATOM 0 HD12 LEU A 31 -1.421 -11.412 4.080 1.00 1.10 H new ATOM 0 HD13 LEU A 31 -1.194 -10.196 5.359 1.00 1.10 H new ATOM 0 HD21 LEU A 31 -1.222 -12.212 7.688 1.00 1.16 H new ATOM 0 HD22 LEU A 31 -2.126 -10.679 7.692 1.00 1.16 H new ATOM 0 HD23 LEU A 31 -2.979 -12.216 7.968 1.00 1.16 H new ATOM 484 N ASP A 32 -7.076 -11.115 5.138 1.00 0.40 N ATOM 485 CA ASP A 32 -8.323 -10.503 5.586 1.00 0.46 C ATOM 486 C ASP A 32 -8.052 -9.328 6.522 1.00 0.46 C ATOM 487 O ASP A 32 -8.806 -9.086 7.466 1.00 0.57 O ATOM 488 CB ASP A 32 -9.201 -11.540 6.289 1.00 0.52 C ATOM 489 CG ASP A 32 -10.680 -11.256 6.121 1.00 1.20 C ATOM 490 OD1 ASP A 32 -11.169 -11.309 4.973 1.00 1.57 O ATOM 491 OD2 ASP A 32 -11.352 -10.980 7.138 1.00 2.03 O ATOM 0 H ASP A 32 -6.979 -11.175 4.124 1.00 0.40 H new ATOM 0 HA ASP A 32 -8.848 -10.128 4.708 1.00 0.46 H new ATOM 0 HB2 ASP A 32 -8.977 -12.530 5.892 1.00 0.52 H new ATOM 0 HB3 ASP A 32 -8.956 -11.559 7.351 1.00 0.52 H new ATOM 496 N VAL A 33 -6.972 -8.601 6.253 1.00 0.42 N ATOM 497 CA VAL A 33 -6.600 -7.453 7.070 1.00 0.43 C ATOM 498 C VAL A 33 -6.863 -6.144 6.332 1.00 0.42 C ATOM 499 O VAL A 33 -6.249 -5.118 6.630 1.00 0.52 O ATOM 500 CB VAL A 33 -5.117 -7.510 7.478 1.00 0.48 C ATOM 501 CG1 VAL A 33 -4.874 -8.653 8.451 1.00 0.54 C ATOM 502 CG2 VAL A 33 -4.229 -7.646 6.250 1.00 0.50 C ATOM 0 H VAL A 33 -6.339 -8.787 5.475 1.00 0.42 H new ATOM 0 HA VAL A 33 -7.217 -7.491 7.968 1.00 0.43 H new ATOM 0 HB VAL A 33 -4.862 -6.577 7.980 1.00 0.48 H new ATOM 0 HG11 VAL A 33 -3.820 -8.677 8.728 1.00 0.54 H new ATOM 0 HG12 VAL A 33 -5.481 -8.505 9.344 1.00 0.54 H new ATOM 0 HG13 VAL A 33 -5.147 -9.597 7.979 1.00 0.54 H new ATOM 0 HG21 VAL A 33 -3.184 -7.685 6.559 1.00 0.50 H new ATOM 0 HG22 VAL A 33 -4.484 -8.562 5.716 1.00 0.50 H new ATOM 0 HG23 VAL A 33 -4.382 -6.789 5.594 1.00 0.50 H new ATOM 512 N TRP A 34 -7.778 -6.185 5.369 1.00 0.39 N ATOM 513 CA TRP A 34 -8.119 -5.000 4.591 1.00 0.38 C ATOM 514 C TRP A 34 -8.738 -3.928 5.482 1.00 0.33 C ATOM 515 O TRP A 34 -8.506 -2.735 5.288 1.00 0.34 O ATOM 516 CB TRP A 34 -9.079 -5.363 3.456 1.00 0.40 C ATOM 517 CG TRP A 34 -10.373 -5.950 3.933 1.00 0.39 C ATOM 518 CD1 TRP A 34 -10.602 -7.245 4.298 1.00 0.47 C ATOM 519 CD2 TRP A 34 -11.619 -5.261 4.091 1.00 0.37 C ATOM 520 NE1 TRP A 34 -11.914 -7.404 4.676 1.00 0.50 N ATOM 521 CE2 TRP A 34 -12.559 -6.200 4.557 1.00 0.44 C ATOM 522 CE3 TRP A 34 -12.030 -3.941 3.885 1.00 0.38 C ATOM 523 CZ2 TRP A 34 -13.884 -5.859 4.819 1.00 0.50 C ATOM 524 CZ3 TRP A 34 -13.345 -3.605 4.146 1.00 0.45 C ATOM 525 CH2 TRP A 34 -14.258 -4.560 4.609 1.00 0.50 C ATOM 0 H TRP A 34 -8.296 -7.025 5.109 1.00 0.39 H new ATOM 0 HA TRP A 34 -7.201 -4.601 4.159 1.00 0.38 H new ATOM 0 HB2 TRP A 34 -9.289 -4.469 2.869 1.00 0.40 H new ATOM 0 HB3 TRP A 34 -8.590 -6.074 2.790 1.00 0.40 H new ATOM 0 HD1 TRP A 34 -9.861 -8.030 4.291 1.00 0.47 H new ATOM 0 HE1 TRP A 34 -12.338 -8.276 4.993 1.00 0.50 H new ATOM 0 HE3 TRP A 34 -11.333 -3.197 3.528 1.00 0.38 H new ATOM 0 HZ2 TRP A 34 -14.591 -6.594 5.175 1.00 0.50 H new ATOM 0 HZ3 TRP A 34 -13.674 -2.588 3.990 1.00 0.45 H new ATOM 0 HH2 TRP A 34 -15.278 -4.265 4.804 1.00 0.50 H new ATOM 536 N GLN A 35 -9.528 -4.364 6.460 1.00 0.32 N ATOM 537 CA GLN A 35 -10.179 -3.444 7.385 1.00 0.33 C ATOM 538 C GLN A 35 -9.146 -2.678 8.205 1.00 0.32 C ATOM 539 O GLN A 35 -9.365 -1.523 8.572 1.00 0.35 O ATOM 540 CB GLN A 35 -11.121 -4.210 8.318 1.00 0.38 C ATOM 541 CG GLN A 35 -12.577 -4.165 7.883 1.00 1.12 C ATOM 542 CD GLN A 35 -13.496 -4.898 8.843 1.00 1.61 C ATOM 543 OE1 GLN A 35 -13.063 -5.387 9.886 1.00 2.15 O ATOM 544 NE2 GLN A 35 -14.774 -4.978 8.493 1.00 2.32 N ATOM 0 H GLN A 35 -9.732 -5.349 6.631 1.00 0.32 H new ATOM 0 HA GLN A 35 -10.758 -2.728 6.802 1.00 0.33 H new ATOM 0 HB2 GLN A 35 -10.799 -5.250 8.372 1.00 0.38 H new ATOM 0 HB3 GLN A 35 -11.038 -3.797 9.323 1.00 0.38 H new ATOM 0 HG2 GLN A 35 -12.896 -3.126 7.802 1.00 1.12 H new ATOM 0 HG3 GLN A 35 -12.669 -4.605 6.890 1.00 1.12 H new ATOM 0 HE21 GLN A 35 -15.091 -4.558 7.619 1.00 2.32 H new ATOM 0 HE22 GLN A 35 -15.439 -5.459 9.098 1.00 2.32 H new ATOM 553 N GLN A 36 -8.021 -3.328 8.486 1.00 0.33 N ATOM 554 CA GLN A 36 -6.953 -2.708 9.263 1.00 0.38 C ATOM 555 C GLN A 36 -6.234 -1.642 8.451 1.00 0.37 C ATOM 556 O GLN A 36 -5.762 -0.650 9.002 1.00 0.46 O ATOM 557 CB GLN A 36 -5.954 -3.765 9.738 1.00 0.45 C ATOM 558 CG GLN A 36 -6.426 -4.549 10.952 1.00 1.54 C ATOM 559 CD GLN A 36 -7.444 -5.615 10.597 1.00 2.38 C ATOM 560 OE1 GLN A 36 -6.962 -6.804 10.252 1.00 3.29 O flip ATOM 561 NE2 GLN A 36 -8.651 -5.373 10.631 1.00 2.41 N flip ATOM 0 H GLN A 36 -7.825 -4.283 8.187 1.00 0.33 H new ATOM 0 HA GLN A 36 -7.406 -2.231 10.132 1.00 0.38 H new ATOM 0 HB2 GLN A 36 -5.758 -4.460 8.921 1.00 0.45 H new ATOM 0 HB3 GLN A 36 -5.008 -3.278 9.976 1.00 0.45 H new ATOM 0 HG2 GLN A 36 -5.568 -5.017 11.434 1.00 1.54 H new ATOM 0 HG3 GLN A 36 -6.863 -3.862 11.677 1.00 1.54 H new ATOM 0 HE21 GLN A 36 -8.978 -4.445 10.902 1.00 2.41 H new ATOM 0 HE22 GLN A 36 -9.324 -6.100 10.388 1.00 2.41 H new ATOM 570 N LEU A 37 -6.150 -1.848 7.140 1.00 0.37 N ATOM 571 CA LEU A 37 -5.490 -0.889 6.262 1.00 0.40 C ATOM 572 C LEU A 37 -6.200 0.459 6.318 1.00 0.38 C ATOM 573 O LEU A 37 -5.572 1.494 6.543 1.00 0.42 O ATOM 574 CB LEU A 37 -5.465 -1.407 4.822 1.00 0.43 C ATOM 575 CG LEU A 37 -4.567 -2.622 4.582 1.00 0.46 C ATOM 576 CD1 LEU A 37 -4.979 -3.345 3.310 1.00 0.49 C ATOM 577 CD2 LEU A 37 -3.107 -2.198 4.506 1.00 0.65 C ATOM 0 H LEU A 37 -6.529 -2.667 6.664 1.00 0.37 H new ATOM 0 HA LEU A 37 -4.463 -0.762 6.606 1.00 0.40 H new ATOM 0 HB2 LEU A 37 -6.483 -1.664 4.528 1.00 0.43 H new ATOM 0 HB3 LEU A 37 -5.138 -0.599 4.168 1.00 0.43 H new ATOM 0 HG LEU A 37 -4.683 -3.308 5.421 1.00 0.46 H new ATOM 0 HD11 LEU A 37 -4.330 -4.207 3.155 1.00 0.49 H new ATOM 0 HD12 LEU A 37 -6.012 -3.681 3.401 1.00 0.49 H new ATOM 0 HD13 LEU A 37 -4.891 -2.667 2.461 1.00 0.49 H new ATOM 0 HD21 LEU A 37 -2.482 -3.074 4.335 1.00 0.65 H new ATOM 0 HD22 LEU A 37 -2.975 -1.493 3.686 1.00 0.65 H new ATOM 0 HD23 LEU A 37 -2.817 -1.723 5.443 1.00 0.65 H new ATOM 589 N ALA A 38 -7.512 0.434 6.103 1.00 0.36 N ATOM 590 CA ALA A 38 -8.323 1.647 6.135 1.00 0.37 C ATOM 591 C ALA A 38 -8.072 2.446 7.411 1.00 0.36 C ATOM 592 O ALA A 38 -7.633 3.595 7.361 1.00 0.41 O ATOM 593 CB ALA A 38 -9.798 1.294 6.013 1.00 0.39 C ATOM 0 H ALA A 38 -8.038 -0.417 5.904 1.00 0.36 H new ATOM 0 HA ALA A 38 -8.035 2.270 5.288 1.00 0.37 H new ATOM 0 HB1 ALA A 38 -10.394 2.206 6.038 1.00 0.39 H new ATOM 0 HB2 ALA A 38 -9.971 0.773 5.071 1.00 0.39 H new ATOM 0 HB3 ALA A 38 -10.088 0.649 6.842 1.00 0.39 H new ATOM 599 N THR A 39 -8.358 1.829 8.554 1.00 0.33 N ATOM 600 CA THR A 39 -8.169 2.478 9.848 1.00 0.36 C ATOM 601 C THR A 39 -6.707 2.852 10.078 1.00 0.37 C ATOM 602 O THR A 39 -6.412 3.848 10.739 1.00 0.40 O ATOM 603 CB THR A 39 -8.644 1.579 11.002 1.00 0.39 C ATOM 604 OG1 THR A 39 -9.689 0.709 10.549 1.00 0.36 O ATOM 605 CG2 THR A 39 -9.147 2.416 12.169 1.00 0.51 C ATOM 0 H THR A 39 -8.722 0.878 8.610 1.00 0.33 H new ATOM 0 HA THR A 39 -8.771 3.387 9.831 1.00 0.36 H new ATOM 0 HB THR A 39 -7.796 0.983 11.340 1.00 0.39 H new ATOM 0 HG1 THR A 39 -9.984 0.139 11.290 1.00 0.36 H new ATOM 0 HG21 THR A 39 -9.477 1.758 12.973 1.00 0.51 H new ATOM 0 HG22 THR A 39 -8.342 3.056 12.531 1.00 0.51 H new ATOM 0 HG23 THR A 39 -9.982 3.034 11.840 1.00 0.51 H new ATOM 613 N ALA A 40 -5.797 2.045 9.538 1.00 0.38 N ATOM 614 CA ALA A 40 -4.364 2.298 9.689 1.00 0.43 C ATOM 615 C ALA A 40 -3.996 3.700 9.213 1.00 0.42 C ATOM 616 O ALA A 40 -3.154 4.366 9.815 1.00 0.47 O ATOM 617 CB ALA A 40 -3.555 1.260 8.928 1.00 0.47 C ATOM 0 H ALA A 40 -6.024 1.213 8.994 1.00 0.38 H new ATOM 0 HA ALA A 40 -4.125 2.225 10.750 1.00 0.43 H new ATOM 0 HB1 ALA A 40 -2.492 1.465 9.052 1.00 0.47 H new ATOM 0 HB2 ALA A 40 -3.781 0.267 9.316 1.00 0.47 H new ATOM 0 HB3 ALA A 40 -3.812 1.303 7.869 1.00 0.47 H new ATOM 623 N VAL A 41 -4.630 4.142 8.132 1.00 0.38 N ATOM 624 CA VAL A 41 -4.365 5.467 7.583 1.00 0.40 C ATOM 625 C VAL A 41 -5.485 6.439 7.934 1.00 0.41 C ATOM 626 O VAL A 41 -5.501 7.577 7.463 1.00 0.47 O ATOM 627 CB VAL A 41 -4.191 5.427 6.052 1.00 0.42 C ATOM 628 CG1 VAL A 41 -2.775 5.010 5.688 1.00 0.50 C ATOM 629 CG2 VAL A 41 -5.210 4.494 5.416 1.00 0.45 C ATOM 0 H VAL A 41 -5.329 3.604 7.620 1.00 0.38 H new ATOM 0 HA VAL A 41 -3.433 5.811 8.031 1.00 0.40 H new ATOM 0 HB VAL A 41 -4.364 6.430 5.661 1.00 0.42 H new ATOM 0 HG11 VAL A 41 -2.670 4.987 4.603 1.00 0.50 H new ATOM 0 HG12 VAL A 41 -2.066 5.725 6.106 1.00 0.50 H new ATOM 0 HG13 VAL A 41 -2.572 4.019 6.093 1.00 0.50 H new ATOM 0 HG21 VAL A 41 -5.068 4.482 4.335 1.00 0.45 H new ATOM 0 HG22 VAL A 41 -5.077 3.487 5.811 1.00 0.45 H new ATOM 0 HG23 VAL A 41 -6.217 4.844 5.646 1.00 0.45 H new ATOM 639 N LYS A 42 -6.418 5.982 8.767 1.00 0.38 N ATOM 640 CA LYS A 42 -7.547 6.805 9.193 1.00 0.41 C ATOM 641 C LYS A 42 -8.381 7.256 7.997 1.00 0.43 C ATOM 642 O LYS A 42 -8.014 8.194 7.290 1.00 0.53 O ATOM 643 CB LYS A 42 -7.051 8.024 9.974 1.00 0.51 C ATOM 644 CG LYS A 42 -8.166 8.814 10.642 1.00 0.77 C ATOM 645 CD LYS A 42 -8.578 8.185 11.964 1.00 1.05 C ATOM 646 CE LYS A 42 -9.945 7.526 11.865 1.00 1.32 C ATOM 647 NZ LYS A 42 -10.964 8.235 12.687 1.00 2.14 N ATOM 0 H LYS A 42 -6.413 5.041 9.162 1.00 0.38 H new ATOM 0 HA LYS A 42 -8.179 6.198 9.841 1.00 0.41 H new ATOM 0 HB2 LYS A 42 -6.344 7.694 10.735 1.00 0.51 H new ATOM 0 HB3 LYS A 42 -6.506 8.682 9.297 1.00 0.51 H new ATOM 0 HG2 LYS A 42 -7.836 9.839 10.812 1.00 0.77 H new ATOM 0 HG3 LYS A 42 -9.028 8.863 9.977 1.00 0.77 H new ATOM 0 HD2 LYS A 42 -7.836 7.444 12.262 1.00 1.05 H new ATOM 0 HD3 LYS A 42 -8.596 8.949 12.742 1.00 1.05 H new ATOM 0 HE2 LYS A 42 -10.266 7.510 10.823 1.00 1.32 H new ATOM 0 HE3 LYS A 42 -9.873 6.489 12.192 1.00 1.32 H new ATOM 0 HZ1 LYS A 42 -11.882 7.755 12.592 1.00 2.14 H new ATOM 0 HZ2 LYS A 42 -10.671 8.228 13.685 1.00 2.14 H new ATOM 0 HZ3 LYS A 42 -11.052 9.218 12.359 1.00 2.14 H new ATOM 661 N LEU A 43 -9.508 6.585 7.779 1.00 0.41 N ATOM 662 CA LEU A 43 -10.391 6.920 6.669 1.00 0.49 C ATOM 663 C LEU A 43 -11.847 6.917 7.114 1.00 0.49 C ATOM 664 O LEU A 43 -12.188 6.339 8.147 1.00 0.52 O ATOM 665 CB LEU A 43 -10.196 5.933 5.516 1.00 0.56 C ATOM 666 CG LEU A 43 -8.948 6.170 4.664 1.00 0.63 C ATOM 667 CD1 LEU A 43 -8.676 4.967 3.773 1.00 0.78 C ATOM 668 CD2 LEU A 43 -9.103 7.430 3.826 1.00 1.03 C ATOM 0 H LEU A 43 -9.830 5.808 8.356 1.00 0.41 H new ATOM 0 HA LEU A 43 -10.136 7.923 6.325 1.00 0.49 H new ATOM 0 HB2 LEU A 43 -10.151 4.924 5.926 1.00 0.56 H new ATOM 0 HB3 LEU A 43 -11.072 5.976 4.869 1.00 0.56 H new ATOM 0 HG LEU A 43 -8.097 6.305 5.331 1.00 0.63 H new ATOM 0 HD11 LEU A 43 -7.785 5.152 3.174 1.00 0.78 H new ATOM 0 HD12 LEU A 43 -8.520 4.084 4.392 1.00 0.78 H new ATOM 0 HD13 LEU A 43 -9.529 4.802 3.114 1.00 0.78 H new ATOM 0 HD21 LEU A 43 -8.205 7.581 3.227 1.00 1.03 H new ATOM 0 HD22 LEU A 43 -9.965 7.325 3.167 1.00 1.03 H new ATOM 0 HD23 LEU A 43 -9.250 8.288 4.482 1.00 1.03 H new ATOM 680 N TYR A 44 -12.702 7.564 6.330 1.00 0.50 N ATOM 681 CA TYR A 44 -14.122 7.634 6.647 1.00 0.53 C ATOM 682 C TYR A 44 -14.779 6.267 6.474 1.00 0.48 C ATOM 683 O TYR A 44 -14.469 5.539 5.531 1.00 0.48 O ATOM 684 CB TYR A 44 -14.817 8.659 5.749 1.00 0.60 C ATOM 685 CG TYR A 44 -14.557 10.093 6.148 1.00 0.74 C ATOM 686 CD1 TYR A 44 -15.274 10.688 7.178 1.00 0.94 C ATOM 687 CD2 TYR A 44 -13.592 10.850 5.496 1.00 0.91 C ATOM 688 CE1 TYR A 44 -15.037 11.999 7.547 1.00 1.14 C ATOM 689 CE2 TYR A 44 -13.349 12.163 5.860 1.00 1.10 C ATOM 690 CZ TYR A 44 -14.080 12.734 6.878 1.00 1.16 C ATOM 691 OH TYR A 44 -13.836 14.036 7.251 1.00 1.41 O ATOM 0 H TYR A 44 -12.436 8.047 5.472 1.00 0.50 H new ATOM 0 HA TYR A 44 -14.224 7.944 7.687 1.00 0.53 H new ATOM 0 HB2 TYR A 44 -14.486 8.512 4.721 1.00 0.60 H new ATOM 0 HB3 TYR A 44 -15.891 8.475 5.767 1.00 0.60 H new ATOM 0 HD1 TYR A 44 -16.029 10.117 7.699 1.00 0.94 H new ATOM 0 HD2 TYR A 44 -13.022 10.407 4.692 1.00 0.91 H new ATOM 0 HE1 TYR A 44 -15.598 12.446 8.355 1.00 1.14 H new ATOM 0 HE2 TYR A 44 -12.590 12.737 5.349 1.00 1.10 H new ATOM 0 HH TYR A 44 -13.133 14.413 6.682 1.00 1.41 H new ATOM 701 N PRO A 45 -15.697 5.893 7.387 1.00 0.62 N ATOM 702 CA PRO A 45 -16.395 4.604 7.317 1.00 0.65 C ATOM 703 C PRO A 45 -17.167 4.444 6.012 1.00 0.65 C ATOM 704 O PRO A 45 -17.501 3.331 5.608 1.00 0.70 O ATOM 705 CB PRO A 45 -17.353 4.645 8.513 1.00 0.86 C ATOM 706 CG PRO A 45 -16.757 5.647 9.440 1.00 1.32 C ATOM 707 CD PRO A 45 -16.121 6.681 8.559 1.00 0.87 C ATOM 0 HA PRO A 45 -15.704 3.761 7.347 1.00 0.65 H new ATOM 0 HB2 PRO A 45 -18.357 4.937 8.206 1.00 0.86 H new ATOM 0 HB3 PRO A 45 -17.437 3.667 8.987 1.00 0.86 H new ATOM 0 HG2 PRO A 45 -17.519 6.092 10.080 1.00 1.32 H new ATOM 0 HG3 PRO A 45 -16.020 5.184 10.097 1.00 1.32 H new ATOM 0 HD2 PRO A 45 -16.824 7.467 8.285 1.00 0.87 H new ATOM 0 HD3 PRO A 45 -15.276 7.165 9.048 1.00 0.87 H new ATOM 715 N ASP A 46 -17.447 5.568 5.355 1.00 0.67 N ATOM 716 CA ASP A 46 -18.171 5.555 4.090 1.00 0.74 C ATOM 717 C ASP A 46 -17.312 4.941 2.991 1.00 0.69 C ATOM 718 O ASP A 46 -17.826 4.349 2.042 1.00 0.76 O ATOM 719 CB ASP A 46 -18.586 6.974 3.696 1.00 0.89 C ATOM 720 CG ASP A 46 -19.275 7.022 2.346 1.00 1.26 C ATOM 721 OD1 ASP A 46 -20.376 6.446 2.221 1.00 1.77 O ATOM 722 OD2 ASP A 46 -18.714 7.636 1.414 1.00 2.01 O ATOM 0 H ASP A 46 -17.183 6.498 5.680 1.00 0.67 H new ATOM 0 HA ASP A 46 -19.068 4.949 4.216 1.00 0.74 H new ATOM 0 HB2 ASP A 46 -19.254 7.378 4.456 1.00 0.89 H new ATOM 0 HB3 ASP A 46 -17.704 7.614 3.674 1.00 0.89 H new ATOM 727 N GLN A 47 -15.998 5.089 3.129 1.00 0.63 N ATOM 728 CA GLN A 47 -15.058 4.548 2.155 1.00 0.68 C ATOM 729 C GLN A 47 -14.882 3.046 2.356 1.00 0.61 C ATOM 730 O GLN A 47 -14.779 2.289 1.389 1.00 0.65 O ATOM 731 CB GLN A 47 -13.705 5.253 2.271 1.00 0.75 C ATOM 732 CG GLN A 47 -13.786 6.760 2.084 1.00 0.78 C ATOM 733 CD GLN A 47 -13.291 7.205 0.721 1.00 1.21 C ATOM 734 OE1 GLN A 47 -13.935 6.957 -0.298 1.00 1.94 O ATOM 735 NE2 GLN A 47 -12.140 7.867 0.698 1.00 1.56 N ATOM 0 H GLN A 47 -15.560 5.580 3.908 1.00 0.63 H new ATOM 0 HA GLN A 47 -15.462 4.722 1.158 1.00 0.68 H new ATOM 0 HB2 GLN A 47 -13.276 5.039 3.250 1.00 0.75 H new ATOM 0 HB3 GLN A 47 -13.024 4.839 1.527 1.00 0.75 H new ATOM 0 HG2 GLN A 47 -14.818 7.084 2.215 1.00 0.78 H new ATOM 0 HG3 GLN A 47 -13.197 7.251 2.859 1.00 0.78 H new ATOM 0 HE21 GLN A 47 -11.640 8.050 1.568 1.00 1.56 H new ATOM 0 HE22 GLN A 47 -11.756 8.192 -0.189 1.00 1.56 H new ATOM 744 N VAL A 48 -14.850 2.623 3.615 1.00 0.57 N ATOM 745 CA VAL A 48 -14.692 1.212 3.944 1.00 0.57 C ATOM 746 C VAL A 48 -15.882 0.402 3.440 1.00 0.55 C ATOM 747 O VAL A 48 -15.716 -0.682 2.879 1.00 0.51 O ATOM 748 CB VAL A 48 -14.544 0.997 5.462 1.00 0.61 C ATOM 749 CG1 VAL A 48 -14.076 -0.420 5.758 1.00 0.88 C ATOM 750 CG2 VAL A 48 -13.584 2.018 6.056 1.00 0.75 C ATOM 0 H VAL A 48 -14.931 3.238 4.425 1.00 0.57 H new ATOM 0 HA VAL A 48 -13.782 0.870 3.451 1.00 0.57 H new ATOM 0 HB VAL A 48 -15.520 1.137 5.926 1.00 0.61 H new ATOM 0 HG11 VAL A 48 -13.977 -0.553 6.835 1.00 0.88 H new ATOM 0 HG12 VAL A 48 -14.804 -1.132 5.370 1.00 0.88 H new ATOM 0 HG13 VAL A 48 -13.111 -0.591 5.281 1.00 0.88 H new ATOM 0 HG21 VAL A 48 -13.492 1.850 7.129 1.00 0.75 H new ATOM 0 HG22 VAL A 48 -12.605 1.913 5.587 1.00 0.75 H new ATOM 0 HG23 VAL A 48 -13.966 3.023 5.877 1.00 0.75 H new ATOM 760 N GLU A 49 -17.082 0.936 3.649 1.00 0.60 N ATOM 761 CA GLU A 49 -18.303 0.269 3.212 1.00 0.63 C ATOM 762 C GLU A 49 -18.306 0.089 1.698 1.00 0.57 C ATOM 763 O GLU A 49 -18.793 -0.918 1.183 1.00 0.57 O ATOM 764 CB GLU A 49 -19.530 1.073 3.647 1.00 0.73 C ATOM 765 CG GLU A 49 -20.487 0.292 4.532 1.00 0.87 C ATOM 766 CD GLU A 49 -20.012 0.207 5.970 1.00 1.55 C ATOM 767 OE1 GLU A 49 -20.272 1.156 6.738 1.00 1.73 O ATOM 768 OE2 GLU A 49 -19.381 -0.809 6.326 1.00 2.44 O ATOM 0 H GLU A 49 -17.234 1.829 4.118 1.00 0.60 H new ATOM 0 HA GLU A 49 -18.341 -0.716 3.678 1.00 0.63 H new ATOM 0 HB2 GLU A 49 -19.200 1.964 4.181 1.00 0.73 H new ATOM 0 HB3 GLU A 49 -20.064 1.413 2.760 1.00 0.73 H new ATOM 0 HG2 GLU A 49 -21.469 0.764 4.505 1.00 0.87 H new ATOM 0 HG3 GLU A 49 -20.606 -0.715 4.132 1.00 0.87 H new ATOM 775 N GLN A 50 -17.761 1.075 0.991 1.00 0.56 N ATOM 776 CA GLN A 50 -17.692 1.029 -0.465 1.00 0.55 C ATOM 777 C GLN A 50 -16.888 -0.180 -0.932 1.00 0.48 C ATOM 778 O GLN A 50 -17.265 -0.860 -1.886 1.00 0.56 O ATOM 779 CB GLN A 50 -17.060 2.312 -1.007 1.00 0.59 C ATOM 780 CG GLN A 50 -18.037 3.207 -1.752 1.00 0.91 C ATOM 781 CD GLN A 50 -17.344 4.150 -2.717 1.00 1.33 C ATOM 782 OE1 GLN A 50 -17.638 5.345 -2.754 1.00 2.12 O ATOM 783 NE2 GLN A 50 -16.417 3.617 -3.505 1.00 1.46 N ATOM 0 H GLN A 50 -17.360 1.917 1.405 1.00 0.56 H new ATOM 0 HA GLN A 50 -18.708 0.941 -0.849 1.00 0.55 H new ATOM 0 HB2 GLN A 50 -16.628 2.872 -0.178 1.00 0.59 H new ATOM 0 HB3 GLN A 50 -16.240 2.048 -1.675 1.00 0.59 H new ATOM 0 HG2 GLN A 50 -18.746 2.587 -2.301 1.00 0.91 H new ATOM 0 HG3 GLN A 50 -18.613 3.788 -1.032 1.00 0.91 H new ATOM 0 HE21 GLN A 50 -16.205 2.621 -3.441 1.00 1.46 H new ATOM 0 HE22 GLN A 50 -15.918 4.203 -4.174 1.00 1.46 H new ATOM 792 N ILE A 51 -15.777 -0.440 -0.250 1.00 0.40 N ATOM 793 CA ILE A 51 -14.912 -1.563 -0.589 1.00 0.38 C ATOM 794 C ILE A 51 -15.610 -2.895 -0.334 1.00 0.41 C ATOM 795 O ILE A 51 -15.686 -3.745 -1.220 1.00 0.47 O ATOM 796 CB ILE A 51 -13.597 -1.524 0.216 1.00 0.35 C ATOM 797 CG1 ILE A 51 -12.979 -0.126 0.163 1.00 0.39 C ATOM 798 CG2 ILE A 51 -12.619 -2.560 -0.315 1.00 0.38 C ATOM 799 CD1 ILE A 51 -12.149 0.212 1.384 1.00 0.42 C ATOM 0 H ILE A 51 -15.454 0.114 0.543 1.00 0.40 H new ATOM 0 HA ILE A 51 -14.683 -1.474 -1.651 1.00 0.38 H new ATOM 0 HB ILE A 51 -13.821 -1.762 1.256 1.00 0.35 H new ATOM 0 HG12 ILE A 51 -12.353 -0.047 -0.726 1.00 0.39 H new ATOM 0 HG13 ILE A 51 -13.775 0.611 0.059 1.00 0.39 H new ATOM 0 HG21 ILE A 51 -11.696 -2.520 0.264 1.00 0.38 H new ATOM 0 HG22 ILE A 51 -13.059 -3.554 -0.228 1.00 0.38 H new ATOM 0 HG23 ILE A 51 -12.400 -2.351 -1.362 1.00 0.38 H new ATOM 0 HD11 ILE A 51 -11.741 1.217 1.280 1.00 0.42 H new ATOM 0 HD12 ILE A 51 -12.776 0.165 2.274 1.00 0.42 H new ATOM 0 HD13 ILE A 51 -11.332 -0.503 1.478 1.00 0.42 H new ATOM 811 N SER A 52 -16.114 -3.068 0.885 1.00 0.43 N ATOM 812 CA SER A 52 -16.806 -4.295 1.266 1.00 0.50 C ATOM 813 C SER A 52 -17.940 -4.618 0.296 1.00 0.52 C ATOM 814 O SER A 52 -18.286 -5.782 0.096 1.00 0.59 O ATOM 815 CB SER A 52 -17.359 -4.173 2.687 1.00 0.57 C ATOM 816 OG SER A 52 -17.208 -5.388 3.401 1.00 1.42 O ATOM 0 H SER A 52 -16.056 -2.371 1.628 1.00 0.43 H new ATOM 0 HA SER A 52 -16.082 -5.109 1.229 1.00 0.50 H new ATOM 0 HB2 SER A 52 -16.841 -3.372 3.214 1.00 0.57 H new ATOM 0 HB3 SER A 52 -18.413 -3.900 2.648 1.00 0.57 H new ATOM 0 HG SER A 52 -16.334 -5.400 3.845 1.00 1.42 H new ATOM 822 N SER A 53 -18.516 -3.578 -0.302 1.00 0.54 N ATOM 823 CA SER A 53 -19.613 -3.750 -1.249 1.00 0.60 C ATOM 824 C SER A 53 -19.194 -4.630 -2.424 1.00 0.63 C ATOM 825 O SER A 53 -19.671 -5.756 -2.570 1.00 0.70 O ATOM 826 CB SER A 53 -20.090 -2.390 -1.760 1.00 0.68 C ATOM 827 OG SER A 53 -21.489 -2.242 -1.592 1.00 0.93 O ATOM 0 H SER A 53 -18.241 -2.608 -0.147 1.00 0.54 H new ATOM 0 HA SER A 53 -20.432 -4.244 -0.727 1.00 0.60 H new ATOM 0 HB2 SER A 53 -19.571 -1.595 -1.225 1.00 0.68 H new ATOM 0 HB3 SER A 53 -19.834 -2.285 -2.814 1.00 0.68 H new ATOM 0 HG SER A 53 -21.767 -1.363 -1.925 1.00 0.93 H new ATOM 833 N GLN A 54 -18.301 -4.108 -3.261 1.00 0.67 N ATOM 834 CA GLN A 54 -17.817 -4.846 -4.423 1.00 0.80 C ATOM 835 C GLN A 54 -17.095 -6.119 -3.999 1.00 0.81 C ATOM 836 O GLN A 54 -17.129 -7.128 -4.703 1.00 0.97 O ATOM 837 CB GLN A 54 -16.882 -3.968 -5.257 1.00 0.94 C ATOM 838 CG GLN A 54 -17.610 -3.055 -6.231 1.00 1.35 C ATOM 839 CD GLN A 54 -18.474 -3.819 -7.216 1.00 1.75 C ATOM 840 OE1 GLN A 54 -19.612 -3.436 -7.487 1.00 2.48 O ATOM 841 NE2 GLN A 54 -17.936 -4.905 -7.759 1.00 2.07 N ATOM 0 H GLN A 54 -17.898 -3.177 -3.156 1.00 0.67 H new ATOM 0 HA GLN A 54 -18.679 -5.125 -5.029 1.00 0.80 H new ATOM 0 HB2 GLN A 54 -16.275 -3.360 -4.587 1.00 0.94 H new ATOM 0 HB3 GLN A 54 -16.198 -4.608 -5.814 1.00 0.94 H new ATOM 0 HG2 GLN A 54 -18.234 -2.358 -5.672 1.00 1.35 H new ATOM 0 HG3 GLN A 54 -16.880 -2.460 -6.780 1.00 1.35 H new ATOM 0 HE21 GLN A 54 -16.989 -5.186 -7.506 1.00 2.07 H new ATOM 0 HE22 GLN A 54 -18.470 -5.458 -8.430 1.00 2.07 H new ATOM 850 N LYS A 55 -16.444 -6.063 -2.841 1.00 0.68 N ATOM 851 CA LYS A 55 -15.706 -7.208 -2.317 1.00 0.73 C ATOM 852 C LYS A 55 -16.628 -8.410 -2.133 1.00 0.86 C ATOM 853 O LYS A 55 -16.199 -9.559 -2.251 1.00 1.12 O ATOM 854 CB LYS A 55 -15.047 -6.843 -0.984 1.00 0.65 C ATOM 855 CG LYS A 55 -14.287 -7.991 -0.337 1.00 0.74 C ATOM 856 CD LYS A 55 -14.307 -7.886 1.180 1.00 0.76 C ATOM 857 CE LYS A 55 -15.517 -8.593 1.770 1.00 1.36 C ATOM 858 NZ LYS A 55 -15.228 -9.159 3.117 1.00 1.77 N ATOM 0 H LYS A 55 -16.412 -5.235 -2.246 1.00 0.68 H new ATOM 0 HA LYS A 55 -14.932 -7.476 -3.037 1.00 0.73 H new ATOM 0 HB2 LYS A 55 -14.361 -6.011 -1.145 1.00 0.65 H new ATOM 0 HB3 LYS A 55 -15.815 -6.494 -0.294 1.00 0.65 H new ATOM 0 HG2 LYS A 55 -14.728 -8.940 -0.643 1.00 0.74 H new ATOM 0 HG3 LYS A 55 -13.256 -7.991 -0.689 1.00 0.74 H new ATOM 0 HD2 LYS A 55 -13.395 -8.321 1.588 1.00 0.76 H new ATOM 0 HD3 LYS A 55 -14.318 -6.836 1.473 1.00 0.76 H new ATOM 0 HE2 LYS A 55 -16.348 -7.891 1.842 1.00 1.36 H new ATOM 0 HE3 LYS A 55 -15.832 -9.393 1.100 1.00 1.36 H new ATOM 0 HZ1 LYS A 55 -16.078 -9.632 3.484 1.00 1.77 H new ATOM 0 HZ2 LYS A 55 -14.452 -9.848 3.045 1.00 1.77 H new ATOM 0 HZ3 LYS A 55 -14.952 -8.393 3.764 1.00 1.77 H new ATOM 872 N GLN A 56 -17.897 -8.137 -1.846 1.00 0.79 N ATOM 873 CA GLN A 56 -18.882 -9.194 -1.645 1.00 0.97 C ATOM 874 C GLN A 56 -19.026 -10.056 -2.896 1.00 1.12 C ATOM 875 O GLN A 56 -19.191 -11.272 -2.805 1.00 1.37 O ATOM 876 CB GLN A 56 -20.237 -8.592 -1.269 1.00 0.96 C ATOM 877 CG GLN A 56 -20.913 -9.294 -0.102 1.00 1.58 C ATOM 878 CD GLN A 56 -21.283 -10.729 -0.419 1.00 2.14 C ATOM 879 OE1 GLN A 56 -20.824 -11.661 0.242 1.00 2.41 O ATOM 880 NE2 GLN A 56 -22.119 -10.915 -1.434 1.00 3.02 N ATOM 0 H GLN A 56 -18.268 -7.192 -1.747 1.00 0.79 H new ATOM 0 HA GLN A 56 -18.533 -9.828 -0.830 1.00 0.97 H new ATOM 0 HB2 GLN A 56 -20.101 -7.540 -1.019 1.00 0.96 H new ATOM 0 HB3 GLN A 56 -20.896 -8.631 -2.137 1.00 0.96 H new ATOM 0 HG2 GLN A 56 -20.248 -9.277 0.762 1.00 1.58 H new ATOM 0 HG3 GLN A 56 -21.812 -8.744 0.176 1.00 1.58 H new ATOM 0 HE21 GLN A 56 -22.475 -10.114 -1.955 1.00 3.02 H new ATOM 0 HE22 GLN A 56 -22.405 -11.859 -1.693 1.00 3.02 H new ATOM 889 N ARG A 57 -18.962 -9.420 -4.063 1.00 1.15 N ATOM 890 CA ARG A 57 -19.095 -10.133 -5.328 1.00 1.46 C ATOM 891 C ARG A 57 -17.730 -10.534 -5.880 1.00 1.58 C ATOM 892 O ARG A 57 -17.274 -9.991 -6.887 1.00 1.74 O ATOM 893 CB ARG A 57 -19.840 -9.268 -6.349 1.00 1.66 C ATOM 894 CG ARG A 57 -20.958 -8.433 -5.744 1.00 1.38 C ATOM 895 CD ARG A 57 -21.903 -7.905 -6.811 1.00 1.67 C ATOM 896 NE ARG A 57 -22.712 -8.969 -7.401 1.00 1.89 N ATOM 897 CZ ARG A 57 -24.002 -9.153 -7.134 1.00 2.38 C ATOM 898 NH1 ARG A 57 -24.632 -8.347 -6.290 1.00 2.83 N ATOM 899 NH2 ARG A 57 -24.665 -10.146 -7.712 1.00 2.99 N ATOM 0 H ARG A 57 -18.819 -8.415 -4.158 1.00 1.15 H new ATOM 0 HA ARG A 57 -19.668 -11.041 -5.143 1.00 1.46 H new ATOM 0 HB2 ARG A 57 -19.127 -8.604 -6.838 1.00 1.66 H new ATOM 0 HB3 ARG A 57 -20.258 -9.913 -7.122 1.00 1.66 H new ATOM 0 HG2 ARG A 57 -21.517 -9.036 -5.029 1.00 1.38 H new ATOM 0 HG3 ARG A 57 -20.530 -7.597 -5.191 1.00 1.38 H new ATOM 0 HD2 ARG A 57 -22.558 -7.151 -6.374 1.00 1.67 H new ATOM 0 HD3 ARG A 57 -21.327 -7.411 -7.594 1.00 1.67 H new ATOM 0 HE ARG A 57 -22.261 -9.608 -8.056 1.00 1.89 H new ATOM 0 HH11 ARG A 57 -24.127 -7.582 -5.842 1.00 2.83 H new ATOM 0 HH12 ARG A 57 -25.621 -8.492 -6.088 1.00 2.83 H new ATOM 0 HH21 ARG A 57 -24.186 -10.769 -8.362 1.00 2.99 H new ATOM 0 HH22 ARG A 57 -25.654 -10.286 -7.507 1.00 2.99 H new ATOM 913 N GLY A 58 -17.099 -11.497 -5.213 1.00 1.74 N ATOM 914 CA GLY A 58 -15.794 -11.989 -5.635 1.00 2.05 C ATOM 915 C GLY A 58 -14.881 -10.898 -6.165 1.00 1.56 C ATOM 916 O GLY A 58 -14.659 -10.802 -7.372 1.00 1.61 O ATOM 0 H GLY A 58 -17.471 -11.951 -4.379 1.00 1.74 H new ATOM 0 HA2 GLY A 58 -15.309 -12.480 -4.792 1.00 2.05 H new ATOM 0 HA3 GLY A 58 -15.932 -12.745 -6.408 1.00 2.05 H new ATOM 920 N ARG A 59 -14.349 -10.078 -5.265 1.00 1.40 N ATOM 921 CA ARG A 59 -13.455 -8.994 -5.657 1.00 1.48 C ATOM 922 C ARG A 59 -12.414 -8.723 -4.576 1.00 1.02 C ATOM 923 O ARG A 59 -12.681 -8.889 -3.386 1.00 1.47 O ATOM 924 CB ARG A 59 -14.256 -7.721 -5.940 1.00 2.32 C ATOM 925 CG ARG A 59 -14.808 -7.651 -7.355 1.00 3.01 C ATOM 926 CD ARG A 59 -14.128 -6.560 -8.164 1.00 3.79 C ATOM 927 NE ARG A 59 -12.773 -6.937 -8.560 1.00 4.29 N ATOM 928 CZ ARG A 59 -12.324 -6.872 -9.810 1.00 4.87 C ATOM 929 NH1 ARG A 59 -13.114 -6.436 -10.782 1.00 5.10 N ATOM 930 NH2 ARG A 59 -11.080 -7.238 -10.088 1.00 5.55 N ATOM 0 H ARG A 59 -14.521 -10.143 -4.262 1.00 1.40 H new ATOM 0 HA ARG A 59 -12.935 -9.299 -6.565 1.00 1.48 H new ATOM 0 HB2 ARG A 59 -15.083 -7.657 -5.233 1.00 2.32 H new ATOM 0 HB3 ARG A 59 -13.619 -6.854 -5.764 1.00 2.32 H new ATOM 0 HG2 ARG A 59 -14.668 -8.612 -7.849 1.00 3.01 H new ATOM 0 HG3 ARG A 59 -15.881 -7.464 -7.319 1.00 3.01 H new ATOM 0 HD2 ARG A 59 -14.720 -6.346 -9.054 1.00 3.79 H new ATOM 0 HD3 ARG A 59 -14.092 -5.642 -7.577 1.00 3.79 H new ATOM 0 HE ARG A 59 -12.135 -7.269 -7.836 1.00 4.29 H new ATOM 0 HH11 ARG A 59 -14.070 -6.149 -10.572 1.00 5.10 H new ATOM 0 HH12 ARG A 59 -12.766 -6.388 -11.739 1.00 5.10 H new ATOM 0 HH21 ARG A 59 -10.467 -7.569 -9.343 1.00 5.55 H new ATOM 0 HH22 ARG A 59 -10.736 -7.188 -11.047 1.00 5.55 H new ATOM 944 N SER A 60 -11.225 -8.306 -5.001 1.00 0.87 N ATOM 945 CA SER A 60 -10.139 -8.011 -4.073 1.00 0.54 C ATOM 946 C SER A 60 -10.360 -6.668 -3.385 1.00 0.42 C ATOM 947 O SER A 60 -10.282 -5.615 -4.018 1.00 0.40 O ATOM 948 CB SER A 60 -8.799 -8.005 -4.810 1.00 0.77 C ATOM 949 OG SER A 60 -7.742 -7.633 -3.942 1.00 1.51 O ATOM 0 H SER A 60 -10.989 -8.165 -5.983 1.00 0.87 H new ATOM 0 HA SER A 60 -10.124 -8.790 -3.311 1.00 0.54 H new ATOM 0 HB2 SER A 60 -8.603 -8.994 -5.224 1.00 0.77 H new ATOM 0 HB3 SER A 60 -8.845 -7.312 -5.650 1.00 0.77 H new ATOM 0 HG SER A 60 -7.965 -7.894 -3.024 1.00 1.51 H new ATOM 955 N ALA A 61 -10.638 -6.714 -2.086 1.00 0.38 N ATOM 956 CA ALA A 61 -10.871 -5.503 -1.309 1.00 0.33 C ATOM 957 C ALA A 61 -9.644 -4.598 -1.320 1.00 0.29 C ATOM 958 O ALA A 61 -9.764 -3.373 -1.287 1.00 0.27 O ATOM 959 CB ALA A 61 -11.255 -5.859 0.119 1.00 0.39 C ATOM 0 H ALA A 61 -10.707 -7.579 -1.549 1.00 0.38 H new ATOM 0 HA ALA A 61 -11.695 -4.958 -1.770 1.00 0.33 H new ATOM 0 HB1 ALA A 61 -11.426 -4.945 0.688 1.00 0.39 H new ATOM 0 HB2 ALA A 61 -12.165 -6.458 0.112 1.00 0.39 H new ATOM 0 HB3 ALA A 61 -10.449 -6.429 0.581 1.00 0.39 H new ATOM 965 N SER A 62 -8.464 -5.209 -1.365 1.00 0.33 N ATOM 966 CA SER A 62 -7.212 -4.461 -1.380 1.00 0.34 C ATOM 967 C SER A 62 -7.090 -3.632 -2.653 1.00 0.31 C ATOM 968 O SER A 62 -6.590 -2.508 -2.627 1.00 0.31 O ATOM 969 CB SER A 62 -6.022 -5.413 -1.259 1.00 0.42 C ATOM 970 OG SER A 62 -5.900 -5.914 0.061 1.00 0.66 O ATOM 0 H SER A 62 -8.349 -6.222 -1.392 1.00 0.33 H new ATOM 0 HA SER A 62 -7.212 -3.784 -0.526 1.00 0.34 H new ATOM 0 HB2 SER A 62 -6.144 -6.242 -1.956 1.00 0.42 H new ATOM 0 HB3 SER A 62 -5.106 -4.893 -1.540 1.00 0.42 H new ATOM 0 HG SER A 62 -5.817 -6.890 0.034 1.00 0.66 H new ATOM 976 N ASN A 63 -7.546 -4.197 -3.768 1.00 0.32 N ATOM 977 CA ASN A 63 -7.493 -3.509 -5.052 1.00 0.32 C ATOM 978 C ASN A 63 -8.306 -2.220 -5.011 1.00 0.31 C ATOM 979 O ASN A 63 -7.834 -1.163 -5.428 1.00 0.33 O ATOM 980 CB ASN A 63 -8.008 -4.417 -6.164 1.00 0.35 C ATOM 981 CG ASN A 63 -7.200 -4.285 -7.441 1.00 0.92 C ATOM 982 OD1 ASN A 63 -7.718 -3.866 -8.476 1.00 1.40 O ATOM 983 ND2 ASN A 63 -5.922 -4.641 -7.373 1.00 1.79 N ATOM 0 H ASN A 63 -7.956 -5.130 -3.807 1.00 0.32 H new ATOM 0 HA ASN A 63 -6.453 -3.255 -5.257 1.00 0.32 H new ATOM 0 HB2 ASN A 63 -7.980 -5.453 -5.825 1.00 0.35 H new ATOM 0 HB3 ASN A 63 -9.051 -4.177 -6.371 1.00 0.35 H new ATOM 0 HD21 ASN A 63 -5.329 -4.572 -8.200 1.00 1.79 H new ATOM 0 HD22 ASN A 63 -5.534 -4.983 -6.494 1.00 1.79 H new ATOM 990 N GLU A 64 -9.532 -2.316 -4.504 1.00 0.31 N ATOM 991 CA GLU A 64 -10.411 -1.156 -4.402 1.00 0.33 C ATOM 992 C GLU A 64 -9.840 -0.132 -3.426 1.00 0.31 C ATOM 993 O GLU A 64 -9.876 1.072 -3.682 1.00 0.34 O ATOM 994 CB GLU A 64 -11.809 -1.584 -3.951 1.00 0.37 C ATOM 995 CG GLU A 64 -12.427 -2.664 -4.824 1.00 0.87 C ATOM 996 CD GLU A 64 -13.054 -2.104 -6.087 1.00 1.10 C ATOM 997 OE1 GLU A 64 -14.131 -1.480 -5.988 1.00 1.72 O ATOM 998 OE2 GLU A 64 -12.467 -2.288 -7.173 1.00 1.66 O ATOM 0 H GLU A 64 -9.939 -3.185 -4.158 1.00 0.31 H new ATOM 0 HA GLU A 64 -10.483 -0.696 -5.388 1.00 0.33 H new ATOM 0 HB2 GLU A 64 -11.755 -1.945 -2.924 1.00 0.37 H new ATOM 0 HB3 GLU A 64 -12.463 -0.712 -3.948 1.00 0.37 H new ATOM 0 HG2 GLU A 64 -11.661 -3.390 -5.094 1.00 0.87 H new ATOM 0 HG3 GLU A 64 -13.186 -3.199 -4.252 1.00 0.87 H new ATOM 1005 N PHE A 65 -9.319 -0.622 -2.304 1.00 0.29 N ATOM 1006 CA PHE A 65 -8.736 0.243 -1.285 1.00 0.29 C ATOM 1007 C PHE A 65 -7.608 1.086 -1.874 1.00 0.30 C ATOM 1008 O PHE A 65 -7.549 2.296 -1.663 1.00 0.33 O ATOM 1009 CB PHE A 65 -8.211 -0.595 -0.115 1.00 0.30 C ATOM 1010 CG PHE A 65 -7.356 0.175 0.851 1.00 0.31 C ATOM 1011 CD1 PHE A 65 -7.917 1.125 1.690 1.00 0.41 C ATOM 1012 CD2 PHE A 65 -5.991 -0.053 0.921 1.00 0.35 C ATOM 1013 CE1 PHE A 65 -7.131 1.834 2.580 1.00 0.50 C ATOM 1014 CE2 PHE A 65 -5.200 0.652 1.810 1.00 0.42 C ATOM 1015 CZ PHE A 65 -5.772 1.597 2.640 1.00 0.48 C ATOM 0 H PHE A 65 -9.289 -1.616 -2.078 1.00 0.29 H new ATOM 0 HA PHE A 65 -9.514 0.913 -0.919 1.00 0.29 H new ATOM 0 HB2 PHE A 65 -9.058 -1.020 0.424 1.00 0.30 H new ATOM 0 HB3 PHE A 65 -7.633 -1.431 -0.510 1.00 0.30 H new ATOM 0 HD1 PHE A 65 -8.980 1.314 1.648 1.00 0.41 H new ATOM 0 HD2 PHE A 65 -5.539 -0.790 0.274 1.00 0.35 H new ATOM 0 HE1 PHE A 65 -7.580 2.573 3.228 1.00 0.50 H new ATOM 0 HE2 PHE A 65 -4.137 0.464 1.855 1.00 0.42 H new ATOM 0 HZ PHE A 65 -5.157 2.150 3.335 1.00 0.48 H new ATOM 1025 N LEU A 66 -6.713 0.433 -2.607 1.00 0.32 N ATOM 1026 CA LEU A 66 -5.585 1.116 -3.229 1.00 0.35 C ATOM 1027 C LEU A 66 -6.062 2.113 -4.281 1.00 0.37 C ATOM 1028 O LEU A 66 -5.402 3.119 -4.541 1.00 0.42 O ATOM 1029 CB LEU A 66 -4.638 0.097 -3.870 1.00 0.39 C ATOM 1030 CG LEU A 66 -3.355 -0.192 -3.084 1.00 0.49 C ATOM 1031 CD1 LEU A 66 -2.534 1.077 -2.907 1.00 0.65 C ATOM 1032 CD2 LEU A 66 -3.682 -0.812 -1.734 1.00 0.61 C ATOM 0 H LEU A 66 -6.747 -0.571 -2.785 1.00 0.32 H new ATOM 0 HA LEU A 66 -5.051 1.664 -2.452 1.00 0.35 H new ATOM 0 HB2 LEU A 66 -5.178 -0.840 -4.008 1.00 0.39 H new ATOM 0 HB3 LEU A 66 -4.363 0.455 -4.862 1.00 0.39 H new ATOM 0 HG LEU A 66 -2.760 -0.906 -3.654 1.00 0.49 H new ATOM 0 HD11 LEU A 66 -1.628 0.849 -2.346 1.00 0.65 H new ATOM 0 HD12 LEU A 66 -2.265 1.476 -3.885 1.00 0.65 H new ATOM 0 HD13 LEU A 66 -3.121 1.817 -2.363 1.00 0.65 H new ATOM 0 HD21 LEU A 66 -2.758 -1.010 -1.191 1.00 0.61 H new ATOM 0 HD22 LEU A 66 -4.301 -0.124 -1.158 1.00 0.61 H new ATOM 0 HD23 LEU A 66 -4.222 -1.747 -1.884 1.00 0.61 H new ATOM 1044 N ASN A 67 -7.207 1.823 -4.886 1.00 0.37 N ATOM 1045 CA ASN A 67 -7.773 2.689 -5.915 1.00 0.42 C ATOM 1046 C ASN A 67 -8.146 4.061 -5.354 1.00 0.41 C ATOM 1047 O ASN A 67 -7.807 5.091 -5.936 1.00 0.66 O ATOM 1048 CB ASN A 67 -9.004 2.031 -6.540 1.00 0.47 C ATOM 1049 CG ASN A 67 -9.096 2.278 -8.033 1.00 0.84 C ATOM 1050 OD1 ASN A 67 -9.898 3.093 -8.490 1.00 1.10 O ATOM 1051 ND2 ASN A 67 -8.273 1.574 -8.802 1.00 1.48 N ATOM 0 H ASN A 67 -7.764 0.993 -4.682 1.00 0.37 H new ATOM 0 HA ASN A 67 -7.011 2.834 -6.680 1.00 0.42 H new ATOM 0 HB2 ASN A 67 -8.973 0.958 -6.353 1.00 0.47 H new ATOM 0 HB3 ASN A 67 -9.902 2.413 -6.055 1.00 0.47 H new ATOM 0 HD21 ASN A 67 -8.290 1.698 -9.814 1.00 1.48 H new ATOM 0 HD22 ASN A 67 -7.624 0.909 -8.380 1.00 1.48 H new ATOM 1058 N ILE A 68 -8.845 4.067 -4.221 1.00 0.33 N ATOM 1059 CA ILE A 68 -9.274 5.314 -3.594 1.00 0.35 C ATOM 1060 C ILE A 68 -8.141 5.971 -2.808 1.00 0.35 C ATOM 1061 O ILE A 68 -7.910 7.174 -2.926 1.00 0.41 O ATOM 1062 CB ILE A 68 -10.466 5.087 -2.644 1.00 0.40 C ATOM 1063 CG1 ILE A 68 -11.496 4.154 -3.286 1.00 0.43 C ATOM 1064 CG2 ILE A 68 -11.107 6.417 -2.274 1.00 0.46 C ATOM 1065 CD1 ILE A 68 -12.507 3.603 -2.304 1.00 0.52 C ATOM 0 H ILE A 68 -9.126 3.224 -3.720 1.00 0.33 H new ATOM 0 HA ILE A 68 -9.577 5.975 -4.406 1.00 0.35 H new ATOM 0 HB ILE A 68 -10.098 4.614 -1.733 1.00 0.40 H new ATOM 0 HG12 ILE A 68 -12.023 4.694 -4.073 1.00 0.43 H new ATOM 0 HG13 ILE A 68 -10.975 3.324 -3.763 1.00 0.43 H new ATOM 0 HG21 ILE A 68 -11.948 6.241 -1.603 1.00 0.46 H new ATOM 0 HG22 ILE A 68 -10.372 7.050 -1.777 1.00 0.46 H new ATOM 0 HG23 ILE A 68 -11.462 6.914 -3.177 1.00 0.46 H new ATOM 0 HD11 ILE A 68 -13.205 2.950 -2.828 1.00 0.52 H new ATOM 0 HD12 ILE A 68 -11.990 3.035 -1.530 1.00 0.52 H new ATOM 0 HD13 ILE A 68 -13.055 4.426 -1.845 1.00 0.52 H new ATOM 1077 N TRP A 69 -7.439 5.175 -2.010 1.00 0.35 N ATOM 1078 CA TRP A 69 -6.336 5.683 -1.200 1.00 0.38 C ATOM 1079 C TRP A 69 -5.142 6.056 -2.072 1.00 0.45 C ATOM 1080 O TRP A 69 -4.272 6.823 -1.656 1.00 0.62 O ATOM 1081 CB TRP A 69 -5.921 4.641 -0.158 1.00 0.42 C ATOM 1082 CG TRP A 69 -4.895 5.143 0.813 1.00 0.43 C ATOM 1083 CD1 TRP A 69 -5.053 6.141 1.731 1.00 0.45 C ATOM 1084 CD2 TRP A 69 -3.551 4.671 0.960 1.00 0.48 C ATOM 1085 NE1 TRP A 69 -3.890 6.317 2.441 1.00 0.48 N ATOM 1086 CE2 TRP A 69 -2.953 5.427 1.986 1.00 0.50 C ATOM 1087 CE3 TRP A 69 -2.796 3.680 0.325 1.00 0.55 C ATOM 1088 CZ2 TRP A 69 -1.636 5.224 2.389 1.00 0.57 C ATOM 1089 CZ3 TRP A 69 -1.488 3.481 0.726 1.00 0.62 C ATOM 1090 CH2 TRP A 69 -0.920 4.249 1.750 1.00 0.63 C ATOM 0 H TRP A 69 -7.613 4.175 -1.906 1.00 0.35 H new ATOM 0 HA TRP A 69 -6.678 6.582 -0.688 1.00 0.38 H new ATOM 0 HB2 TRP A 69 -6.804 4.318 0.393 1.00 0.42 H new ATOM 0 HB3 TRP A 69 -5.526 3.763 -0.670 1.00 0.42 H new ATOM 0 HD1 TRP A 69 -5.960 6.709 1.878 1.00 0.45 H new ATOM 0 HE1 TRP A 69 -3.747 6.999 3.186 1.00 0.48 H new ATOM 0 HE3 TRP A 69 -3.227 3.081 -0.464 1.00 0.55 H new ATOM 0 HZ2 TRP A 69 -1.195 5.815 3.178 1.00 0.57 H new ATOM 0 HZ3 TRP A 69 -0.894 2.720 0.241 1.00 0.62 H new ATOM 0 HH2 TRP A 69 0.104 4.068 2.041 1.00 0.63 H new ATOM 1101 N GLY A 70 -5.108 5.513 -3.285 1.00 0.59 N ATOM 1102 CA GLY A 70 -4.015 5.801 -4.195 1.00 0.74 C ATOM 1103 C GLY A 70 -4.488 6.433 -5.489 1.00 0.86 C ATOM 1104 O GLY A 70 -4.868 5.733 -6.427 1.00 1.08 O ATOM 0 H GLY A 70 -5.817 4.879 -3.653 1.00 0.59 H new ATOM 0 HA2 GLY A 70 -3.306 6.469 -3.706 1.00 0.74 H new ATOM 0 HA3 GLY A 70 -3.481 4.878 -4.419 1.00 0.74 H new ATOM 1108 N GLY A 71 -4.464 7.761 -5.541 1.00 0.96 N ATOM 1109 CA GLY A 71 -4.894 8.467 -6.732 1.00 1.16 C ATOM 1110 C GLY A 71 -5.753 9.675 -6.411 1.00 1.26 C ATOM 1111 O GLY A 71 -6.036 10.495 -7.285 1.00 1.54 O ATOM 0 H GLY A 71 -4.153 8.361 -4.777 1.00 0.96 H new ATOM 0 HA2 GLY A 71 -4.019 8.787 -7.297 1.00 1.16 H new ATOM 0 HA3 GLY A 71 -5.455 7.786 -7.372 1.00 1.16 H new ATOM 1115 N GLN A 72 -6.169 9.783 -5.153 1.00 1.15 N ATOM 1116 CA GLN A 72 -7.001 10.897 -4.713 1.00 1.31 C ATOM 1117 C GLN A 72 -6.349 11.633 -3.547 1.00 1.31 C ATOM 1118 O GLN A 72 -6.697 12.775 -3.247 1.00 1.64 O ATOM 1119 CB GLN A 72 -8.388 10.397 -4.301 1.00 1.35 C ATOM 1120 CG GLN A 72 -8.927 9.291 -5.195 1.00 1.21 C ATOM 1121 CD GLN A 72 -10.442 9.272 -5.250 1.00 1.42 C ATOM 1122 OE1 GLN A 72 -11.075 9.140 -4.090 1.00 1.84 O flip ATOM 1123 NE2 GLN A 72 -11.038 9.374 -6.323 1.00 1.99 N flip ATOM 0 H GLN A 72 -5.943 9.111 -4.419 1.00 1.15 H new ATOM 0 HA GLN A 72 -7.106 11.590 -5.548 1.00 1.31 H new ATOM 0 HB2 GLN A 72 -8.344 10.034 -3.274 1.00 1.35 H new ATOM 0 HB3 GLN A 72 -9.085 11.235 -4.313 1.00 1.35 H new ATOM 0 HG2 GLN A 72 -8.532 9.419 -6.203 1.00 1.21 H new ATOM 0 HG3 GLN A 72 -8.568 8.328 -4.832 1.00 1.21 H new ATOM 0 HE21 GLN A 72 -10.512 9.474 -7.191 1.00 1.99 H new ATOM 0 HE22 GLN A 72 -12.058 9.359 -6.343 1.00 1.99 H new ATOM 1132 N TYR A 73 -5.401 10.969 -2.893 1.00 1.08 N ATOM 1133 CA TYR A 73 -4.698 11.556 -1.757 1.00 1.16 C ATOM 1134 C TYR A 73 -3.271 11.944 -2.135 1.00 1.24 C ATOM 1135 O TYR A 73 -2.577 12.610 -1.368 1.00 1.49 O ATOM 1136 CB TYR A 73 -4.675 10.575 -0.583 1.00 1.13 C ATOM 1137 CG TYR A 73 -5.939 10.589 0.247 1.00 1.13 C ATOM 1138 CD1 TYR A 73 -6.275 11.695 1.018 1.00 1.46 C ATOM 1139 CD2 TYR A 73 -6.796 9.496 0.260 1.00 0.90 C ATOM 1140 CE1 TYR A 73 -7.427 11.711 1.779 1.00 1.53 C ATOM 1141 CE2 TYR A 73 -7.952 9.505 1.018 1.00 0.97 C ATOM 1142 CZ TYR A 73 -8.263 10.614 1.775 1.00 1.27 C ATOM 1143 OH TYR A 73 -9.412 10.626 2.531 1.00 1.38 O ATOM 0 H TYR A 73 -5.102 10.023 -3.130 1.00 1.08 H new ATOM 0 HA TYR A 73 -5.233 12.458 -1.461 1.00 1.16 H new ATOM 0 HB2 TYR A 73 -4.514 9.567 -0.966 1.00 1.13 H new ATOM 0 HB3 TYR A 73 -3.827 10.811 0.059 1.00 1.13 H new ATOM 0 HD1 TYR A 73 -5.624 12.557 1.022 1.00 1.46 H new ATOM 0 HD2 TYR A 73 -6.555 8.625 -0.332 1.00 0.90 H new ATOM 0 HE1 TYR A 73 -7.672 12.578 2.374 1.00 1.53 H new ATOM 0 HE2 TYR A 73 -8.608 8.647 1.017 1.00 0.97 H new ATOM 0 HH TYR A 73 -9.888 9.777 2.416 1.00 1.38 H new ATOM 1153 N ASN A 74 -2.843 11.522 -3.323 1.00 1.23 N ATOM 1154 CA ASN A 74 -1.498 11.822 -3.805 1.00 1.34 C ATOM 1155 C ASN A 74 -0.444 11.346 -2.810 1.00 0.95 C ATOM 1156 O ASN A 74 0.452 12.101 -2.427 1.00 1.38 O ATOM 1157 CB ASN A 74 -1.346 13.325 -4.058 1.00 1.91 C ATOM 1158 CG ASN A 74 -0.532 13.622 -5.302 1.00 2.53 C ATOM 1159 OD1 ASN A 74 -0.633 12.917 -6.306 1.00 3.01 O ATOM 1160 ND2 ASN A 74 0.280 14.671 -5.242 1.00 3.10 N ATOM 0 H ASN A 74 -3.409 10.971 -3.969 1.00 1.23 H new ATOM 0 HA ASN A 74 -1.347 11.289 -4.744 1.00 1.34 H new ATOM 0 HB2 ASN A 74 -2.333 13.776 -4.157 1.00 1.91 H new ATOM 0 HB3 ASN A 74 -0.869 13.790 -3.195 1.00 1.91 H new ATOM 0 HD21 ASN A 74 0.852 14.920 -6.049 1.00 3.10 H new ATOM 0 HD22 ASN A 74 0.332 15.228 -4.389 1.00 3.10 H new ATOM 1167 N HIS A 75 -0.557 10.089 -2.395 1.00 0.64 N ATOM 1168 CA HIS A 75 0.382 9.507 -1.442 1.00 0.65 C ATOM 1169 C HIS A 75 1.695 9.137 -2.126 1.00 0.56 C ATOM 1170 O HIS A 75 2.003 9.634 -3.210 1.00 1.01 O ATOM 1171 CB HIS A 75 -0.237 8.273 -0.781 1.00 1.06 C ATOM 1172 CG HIS A 75 -0.549 8.467 0.669 1.00 1.69 C ATOM 1173 ND1 HIS A 75 -1.766 8.928 1.122 1.00 2.23 N ATOM 1174 CD2 HIS A 75 0.207 8.257 1.774 1.00 2.43 C ATOM 1175 CE1 HIS A 75 -1.747 8.996 2.441 1.00 2.72 C ATOM 1176 NE2 HIS A 75 -0.562 8.594 2.861 1.00 2.80 N ATOM 0 H HIS A 75 -1.291 9.452 -2.704 1.00 0.64 H new ATOM 0 HA HIS A 75 0.597 10.251 -0.675 1.00 0.65 H new ATOM 0 HB2 HIS A 75 -1.153 8.008 -1.309 1.00 1.06 H new ATOM 0 HB3 HIS A 75 0.447 7.431 -0.888 1.00 1.06 H new ATOM 0 HD2 HIS A 75 1.224 7.893 1.796 1.00 2.43 H new ATOM 0 HE1 HIS A 75 -2.562 9.325 3.069 1.00 2.72 H new ATOM 0 HE2 HIS A 75 -0.265 8.542 3.835 1.00 2.80 H new ATOM 1185 N THR A 76 2.465 8.258 -1.489 1.00 0.64 N ATOM 1186 CA THR A 76 3.747 7.819 -2.033 1.00 0.64 C ATOM 1187 C THR A 76 4.032 6.368 -1.657 1.00 0.51 C ATOM 1188 O THR A 76 3.458 5.840 -0.705 1.00 0.43 O ATOM 1189 CB THR A 76 4.908 8.698 -1.528 1.00 0.89 C ATOM 1190 OG1 THR A 76 4.857 8.802 -0.100 1.00 1.17 O ATOM 1191 CG2 THR A 76 4.848 10.090 -2.142 1.00 1.07 C ATOM 0 H THR A 76 2.222 7.835 -0.593 1.00 0.64 H new ATOM 0 HA THR A 76 3.676 7.911 -3.117 1.00 0.64 H new ATOM 0 HB THR A 76 5.844 8.227 -1.828 1.00 0.89 H new ATOM 0 HG1 THR A 76 5.599 9.360 0.214 1.00 1.17 H new ATOM 0 HG21 THR A 76 5.679 10.689 -1.768 1.00 1.07 H new ATOM 0 HG22 THR A 76 4.916 10.012 -3.227 1.00 1.07 H new ATOM 0 HG23 THR A 76 3.906 10.567 -1.871 1.00 1.07 H new ATOM 1199 N VAL A 77 4.922 5.730 -2.412 1.00 0.53 N ATOM 1200 CA VAL A 77 5.285 4.339 -2.159 1.00 0.49 C ATOM 1201 C VAL A 77 5.952 4.183 -0.797 1.00 0.40 C ATOM 1202 O VAL A 77 5.876 3.122 -0.177 1.00 0.39 O ATOM 1203 CB VAL A 77 6.233 3.799 -3.249 1.00 0.61 C ATOM 1204 CG1 VAL A 77 6.425 2.297 -3.098 1.00 1.22 C ATOM 1205 CG2 VAL A 77 5.704 4.136 -4.633 1.00 1.25 C ATOM 0 H VAL A 77 5.405 6.154 -3.204 1.00 0.53 H new ATOM 0 HA VAL A 77 4.360 3.763 -2.174 1.00 0.49 H new ATOM 0 HB VAL A 77 7.203 4.280 -3.127 1.00 0.61 H new ATOM 0 HG11 VAL A 77 7.097 1.936 -3.877 1.00 1.22 H new ATOM 0 HG12 VAL A 77 6.854 2.082 -2.120 1.00 1.22 H new ATOM 0 HG13 VAL A 77 5.461 1.796 -3.190 1.00 1.22 H new ATOM 0 HG21 VAL A 77 6.387 3.747 -5.388 1.00 1.25 H new ATOM 0 HG22 VAL A 77 4.720 3.686 -4.766 1.00 1.25 H new ATOM 0 HG23 VAL A 77 5.625 5.218 -4.739 1.00 1.25 H new ATOM 1215 N GLN A 78 6.606 5.244 -0.337 1.00 0.42 N ATOM 1216 CA GLN A 78 7.286 5.224 0.953 1.00 0.42 C ATOM 1217 C GLN A 78 6.320 4.856 2.076 1.00 0.37 C ATOM 1218 O GLN A 78 6.599 3.967 2.881 1.00 0.35 O ATOM 1219 CB GLN A 78 7.922 6.586 1.238 1.00 0.54 C ATOM 1220 CG GLN A 78 9.405 6.507 1.562 1.00 1.05 C ATOM 1221 CD GLN A 78 10.084 7.863 1.516 1.00 1.49 C ATOM 1222 OE1 GLN A 78 10.116 8.588 2.510 1.00 2.24 O ATOM 1223 NE2 GLN A 78 10.631 8.212 0.357 1.00 1.87 N ATOM 0 H GLN A 78 6.680 6.129 -0.839 1.00 0.42 H new ATOM 0 HA GLN A 78 8.068 4.466 0.910 1.00 0.42 H new ATOM 0 HB2 GLN A 78 7.781 7.232 0.371 1.00 0.54 H new ATOM 0 HB3 GLN A 78 7.400 7.054 2.073 1.00 0.54 H new ATOM 0 HG2 GLN A 78 9.534 6.073 2.554 1.00 1.05 H new ATOM 0 HG3 GLN A 78 9.893 5.836 0.855 1.00 1.05 H new ATOM 0 HE21 GLN A 78 10.581 7.579 -0.442 1.00 1.87 H new ATOM 0 HE22 GLN A 78 11.101 9.113 0.266 1.00 1.87 H new ATOM 1232 N THR A 79 5.186 5.550 2.125 1.00 0.42 N ATOM 1233 CA THR A 79 4.173 5.297 3.144 1.00 0.45 C ATOM 1234 C THR A 79 3.741 3.834 3.147 1.00 0.39 C ATOM 1235 O THR A 79 3.437 3.269 4.197 1.00 0.40 O ATOM 1236 CB THR A 79 2.933 6.188 2.934 1.00 0.56 C ATOM 1237 OG1 THR A 79 3.333 7.555 2.775 1.00 0.65 O ATOM 1238 CG2 THR A 79 1.974 6.069 4.109 1.00 0.71 C ATOM 0 H THR A 79 4.946 6.293 1.469 1.00 0.42 H new ATOM 0 HA THR A 79 4.627 5.537 4.105 1.00 0.45 H new ATOM 0 HB THR A 79 2.421 5.852 2.033 1.00 0.56 H new ATOM 0 HG1 THR A 79 2.704 8.137 3.250 1.00 0.65 H new ATOM 0 HG21 THR A 79 1.107 6.707 3.937 1.00 0.71 H new ATOM 0 HG22 THR A 79 1.648 5.034 4.209 1.00 0.71 H new ATOM 0 HG23 THR A 79 2.479 6.381 5.023 1.00 0.71 H new ATOM 1246 N LEU A 80 3.718 3.228 1.963 1.00 0.35 N ATOM 1247 CA LEU A 80 3.319 1.831 1.825 1.00 0.34 C ATOM 1248 C LEU A 80 4.257 0.912 2.603 1.00 0.32 C ATOM 1249 O LEU A 80 3.811 -0.012 3.283 1.00 0.34 O ATOM 1250 CB LEU A 80 3.303 1.431 0.347 1.00 0.37 C ATOM 1251 CG LEU A 80 2.897 -0.018 0.069 1.00 0.42 C ATOM 1252 CD1 LEU A 80 1.482 -0.281 0.563 1.00 0.47 C ATOM 1253 CD2 LEU A 80 3.009 -0.325 -1.418 1.00 0.50 C ATOM 0 H LEU A 80 3.971 3.683 1.086 1.00 0.35 H new ATOM 0 HA LEU A 80 2.316 1.724 2.238 1.00 0.34 H new ATOM 0 HB2 LEU A 80 2.618 2.092 -0.184 1.00 0.37 H new ATOM 0 HB3 LEU A 80 4.296 1.600 -0.069 1.00 0.37 H new ATOM 0 HG LEU A 80 3.577 -0.676 0.610 1.00 0.42 H new ATOM 0 HD11 LEU A 80 1.211 -1.316 0.357 1.00 0.47 H new ATOM 0 HD12 LEU A 80 1.432 -0.100 1.637 1.00 0.47 H new ATOM 0 HD13 LEU A 80 0.788 0.385 0.050 1.00 0.47 H new ATOM 0 HD21 LEU A 80 2.717 -1.359 -1.599 1.00 0.50 H new ATOM 0 HD22 LEU A 80 2.352 0.341 -1.977 1.00 0.50 H new ATOM 0 HD23 LEU A 80 4.039 -0.177 -1.744 1.00 0.50 H new ATOM 1265 N PHE A 81 5.556 1.171 2.497 1.00 0.33 N ATOM 1266 CA PHE A 81 6.558 0.366 3.188 1.00 0.36 C ATOM 1267 C PHE A 81 6.354 0.413 4.700 1.00 0.37 C ATOM 1268 O PHE A 81 6.148 -0.617 5.341 1.00 0.38 O ATOM 1269 CB PHE A 81 7.964 0.860 2.840 1.00 0.41 C ATOM 1270 CG PHE A 81 9.031 -0.181 3.030 1.00 0.47 C ATOM 1271 CD1 PHE A 81 9.242 -1.157 2.069 1.00 0.59 C ATOM 1272 CD2 PHE A 81 9.820 -0.185 4.169 1.00 0.55 C ATOM 1273 CE1 PHE A 81 10.221 -2.117 2.241 1.00 0.71 C ATOM 1274 CE2 PHE A 81 10.801 -1.142 4.345 1.00 0.67 C ATOM 1275 CZ PHE A 81 11.007 -2.103 3.381 1.00 0.73 C ATOM 0 H PHE A 81 5.940 1.933 1.939 1.00 0.33 H new ATOM 0 HA PHE A 81 6.446 -0.667 2.858 1.00 0.36 H new ATOM 0 HB2 PHE A 81 7.976 1.196 1.803 1.00 0.41 H new ATOM 0 HB3 PHE A 81 8.199 1.726 3.458 1.00 0.41 H new ATOM 0 HD1 PHE A 81 8.635 -1.167 1.176 1.00 0.59 H new ATOM 0 HD2 PHE A 81 9.667 0.568 4.928 1.00 0.55 H new ATOM 0 HE1 PHE A 81 10.373 -2.876 1.488 1.00 0.71 H new ATOM 0 HE2 PHE A 81 11.406 -1.136 5.239 1.00 0.67 H new ATOM 0 HZ PHE A 81 11.781 -2.845 3.514 1.00 0.73 H new ATOM 1285 N ALA A 82 6.412 1.618 5.261 1.00 0.45 N ATOM 1286 CA ALA A 82 6.242 1.807 6.697 1.00 0.52 C ATOM 1287 C ALA A 82 4.865 1.348 7.167 1.00 0.45 C ATOM 1288 O ALA A 82 4.662 1.087 8.354 1.00 0.43 O ATOM 1289 CB ALA A 82 6.464 3.267 7.062 1.00 0.67 C ATOM 0 H ALA A 82 6.576 2.480 4.740 1.00 0.45 H new ATOM 0 HA ALA A 82 6.985 1.192 7.204 1.00 0.52 H new ATOM 0 HB1 ALA A 82 6.335 3.397 8.136 1.00 0.67 H new ATOM 0 HB2 ALA A 82 7.474 3.563 6.780 1.00 0.67 H new ATOM 0 HB3 ALA A 82 5.742 3.888 6.532 1.00 0.67 H new ATOM 1295 N LEU A 83 3.921 1.252 6.236 1.00 0.44 N ATOM 1296 CA LEU A 83 2.564 0.828 6.568 1.00 0.41 C ATOM 1297 C LEU A 83 2.543 -0.626 7.028 1.00 0.36 C ATOM 1298 O LEU A 83 2.061 -0.935 8.118 1.00 0.36 O ATOM 1299 CB LEU A 83 1.641 1.009 5.361 1.00 0.46 C ATOM 1300 CG LEU A 83 0.163 0.701 5.620 1.00 0.53 C ATOM 1301 CD1 LEU A 83 -0.454 1.755 6.527 1.00 1.08 C ATOM 1302 CD2 LEU A 83 -0.599 0.615 4.306 1.00 1.23 C ATOM 0 H LEU A 83 4.069 1.461 5.249 1.00 0.44 H new ATOM 0 HA LEU A 83 2.206 1.452 7.387 1.00 0.41 H new ATOM 0 HB2 LEU A 83 1.725 2.037 5.010 1.00 0.46 H new ATOM 0 HB3 LEU A 83 1.994 0.367 4.554 1.00 0.46 H new ATOM 0 HG LEU A 83 0.096 -0.264 6.123 1.00 0.53 H new ATOM 0 HD11 LEU A 83 -1.504 1.518 6.699 1.00 1.08 H new ATOM 0 HD12 LEU A 83 0.075 1.770 7.480 1.00 1.08 H new ATOM 0 HD13 LEU A 83 -0.376 2.734 6.053 1.00 1.08 H new ATOM 0 HD21 LEU A 83 -1.648 0.396 4.507 1.00 1.23 H new ATOM 0 HD22 LEU A 83 -0.522 1.565 3.778 1.00 1.23 H new ATOM 0 HD23 LEU A 83 -0.174 -0.178 3.690 1.00 1.23 H new ATOM 1314 N PHE A 84 3.066 -1.516 6.190 1.00 0.37 N ATOM 1315 CA PHE A 84 3.106 -2.940 6.508 1.00 0.39 C ATOM 1316 C PHE A 84 3.856 -3.192 7.812 1.00 0.39 C ATOM 1317 O PHE A 84 3.582 -4.162 8.517 1.00 0.41 O ATOM 1318 CB PHE A 84 3.763 -3.723 5.370 1.00 0.45 C ATOM 1319 CG PHE A 84 2.986 -3.686 4.083 1.00 0.41 C ATOM 1320 CD1 PHE A 84 1.640 -4.015 4.063 1.00 0.46 C ATOM 1321 CD2 PHE A 84 3.602 -3.320 2.895 1.00 0.40 C ATOM 1322 CE1 PHE A 84 0.923 -3.980 2.882 1.00 0.46 C ATOM 1323 CE2 PHE A 84 2.889 -3.285 1.712 1.00 0.41 C ATOM 1324 CZ PHE A 84 1.551 -3.619 1.704 1.00 0.42 C ATOM 0 H PHE A 84 3.469 -1.276 5.284 1.00 0.37 H new ATOM 0 HA PHE A 84 2.079 -3.283 6.631 1.00 0.39 H new ATOM 0 HB2 PHE A 84 4.761 -3.321 5.193 1.00 0.45 H new ATOM 0 HB3 PHE A 84 3.887 -4.761 5.679 1.00 0.45 H new ATOM 0 HD1 PHE A 84 1.146 -4.302 4.980 1.00 0.46 H new ATOM 0 HD2 PHE A 84 4.650 -3.060 2.895 1.00 0.40 H new ATOM 0 HE1 PHE A 84 -0.127 -4.234 2.879 1.00 0.46 H new ATOM 0 HE2 PHE A 84 3.379 -2.996 0.794 1.00 0.41 H new ATOM 0 HZ PHE A 84 0.994 -3.599 0.779 1.00 0.42 H new ATOM 1334 N LYS A 85 4.806 -2.313 8.125 1.00 0.43 N ATOM 1335 CA LYS A 85 5.597 -2.441 9.345 1.00 0.47 C ATOM 1336 C LYS A 85 4.698 -2.557 10.573 1.00 0.48 C ATOM 1337 O LYS A 85 5.000 -3.300 11.507 1.00 0.51 O ATOM 1338 CB LYS A 85 6.536 -1.242 9.498 1.00 0.56 C ATOM 1339 CG LYS A 85 7.785 -1.547 10.308 1.00 0.83 C ATOM 1340 CD LYS A 85 9.044 -1.397 9.469 1.00 0.64 C ATOM 1341 CE LYS A 85 10.148 -0.693 10.242 1.00 1.03 C ATOM 1342 NZ LYS A 85 10.364 -1.303 11.583 1.00 1.59 N ATOM 0 H LYS A 85 5.046 -1.505 7.550 1.00 0.43 H new ATOM 0 HA LYS A 85 6.190 -3.352 9.266 1.00 0.47 H new ATOM 0 HB2 LYS A 85 6.831 -0.894 8.508 1.00 0.56 H new ATOM 0 HB3 LYS A 85 5.994 -0.425 9.975 1.00 0.56 H new ATOM 0 HG2 LYS A 85 7.836 -0.877 11.166 1.00 0.83 H new ATOM 0 HG3 LYS A 85 7.727 -2.562 10.700 1.00 0.83 H new ATOM 0 HD2 LYS A 85 9.391 -2.381 9.152 1.00 0.64 H new ATOM 0 HD3 LYS A 85 8.815 -0.833 8.565 1.00 0.64 H new ATOM 0 HE2 LYS A 85 11.075 -0.736 9.670 1.00 1.03 H new ATOM 0 HE3 LYS A 85 9.894 0.360 10.359 1.00 1.03 H new ATOM 0 HZ1 LYS A 85 11.337 -1.114 11.898 1.00 1.59 H new ATOM 0 HZ2 LYS A 85 9.694 -0.891 12.264 1.00 1.59 H new ATOM 0 HZ3 LYS A 85 10.212 -2.330 11.526 1.00 1.59 H new ATOM 1356 N LYS A 86 3.594 -1.814 10.564 1.00 0.52 N ATOM 1357 CA LYS A 86 2.649 -1.831 11.677 1.00 0.59 C ATOM 1358 C LYS A 86 2.114 -3.238 11.922 1.00 0.61 C ATOM 1359 O LYS A 86 1.955 -3.661 13.067 1.00 0.69 O ATOM 1360 CB LYS A 86 1.488 -0.872 11.402 1.00 0.71 C ATOM 1361 CG LYS A 86 0.575 -0.661 12.599 1.00 1.05 C ATOM 1362 CD LYS A 86 -0.886 -0.846 12.225 1.00 1.31 C ATOM 1363 CE LYS A 86 -1.576 0.490 11.998 1.00 1.84 C ATOM 1364 NZ LYS A 86 -1.513 1.359 13.205 1.00 2.31 N ATOM 0 H LYS A 86 3.332 -1.193 9.798 1.00 0.52 H new ATOM 0 HA LYS A 86 3.178 -1.505 12.572 1.00 0.59 H new ATOM 0 HB2 LYS A 86 1.890 0.091 11.088 1.00 0.71 H new ATOM 0 HB3 LYS A 86 0.899 -1.258 10.570 1.00 0.71 H new ATOM 0 HG2 LYS A 86 0.841 -1.363 13.389 1.00 1.05 H new ATOM 0 HG3 LYS A 86 0.725 0.341 13.000 1.00 1.05 H new ATOM 0 HD2 LYS A 86 -0.958 -1.452 11.322 1.00 1.31 H new ATOM 0 HD3 LYS A 86 -1.399 -1.392 13.017 1.00 1.31 H new ATOM 0 HE2 LYS A 86 -1.108 1.002 11.157 1.00 1.84 H new ATOM 0 HE3 LYS A 86 -2.618 0.319 11.728 1.00 1.84 H new ATOM 0 HZ1 LYS A 86 -2.476 1.635 13.484 1.00 2.31 H new ATOM 0 HZ2 LYS A 86 -1.062 0.838 13.984 1.00 2.31 H new ATOM 0 HZ3 LYS A 86 -0.957 2.211 12.991 1.00 2.31 H new ATOM 1378 N LEU A 87 1.833 -3.959 10.840 1.00 0.61 N ATOM 1379 CA LEU A 87 1.314 -5.319 10.939 1.00 0.70 C ATOM 1380 C LEU A 87 2.443 -6.344 10.862 1.00 0.63 C ATOM 1381 O LEU A 87 2.214 -7.544 11.010 1.00 0.74 O ATOM 1382 CB LEU A 87 0.296 -5.582 9.827 1.00 0.80 C ATOM 1383 CG LEU A 87 -1.024 -4.821 9.961 1.00 1.04 C ATOM 1384 CD1 LEU A 87 -1.802 -4.870 8.655 1.00 1.57 C ATOM 1385 CD2 LEU A 87 -1.855 -5.390 11.101 1.00 1.46 C ATOM 0 H LEU A 87 1.956 -3.624 9.885 1.00 0.61 H new ATOM 0 HA LEU A 87 0.822 -5.421 11.906 1.00 0.70 H new ATOM 0 HB2 LEU A 87 0.751 -5.323 8.871 1.00 0.80 H new ATOM 0 HB3 LEU A 87 0.080 -6.650 9.799 1.00 0.80 H new ATOM 0 HG LEU A 87 -0.799 -3.779 10.188 1.00 1.04 H new ATOM 0 HD11 LEU A 87 -2.738 -4.324 8.769 1.00 1.57 H new ATOM 0 HD12 LEU A 87 -1.210 -4.414 7.861 1.00 1.57 H new ATOM 0 HD13 LEU A 87 -2.016 -5.907 8.398 1.00 1.57 H new ATOM 0 HD21 LEU A 87 -2.790 -4.836 11.181 1.00 1.46 H new ATOM 0 HD22 LEU A 87 -2.071 -6.440 10.905 1.00 1.46 H new ATOM 0 HD23 LEU A 87 -1.300 -5.302 12.035 1.00 1.46 H new ATOM 1397 N LYS A 88 3.662 -5.859 10.631 1.00 0.52 N ATOM 1398 CA LYS A 88 4.832 -6.729 10.533 1.00 0.53 C ATOM 1399 C LYS A 88 4.630 -7.801 9.465 1.00 0.51 C ATOM 1400 O LYS A 88 4.766 -8.995 9.736 1.00 0.56 O ATOM 1401 CB LYS A 88 5.122 -7.387 11.883 1.00 0.69 C ATOM 1402 CG LYS A 88 5.161 -6.408 13.045 1.00 1.16 C ATOM 1403 CD LYS A 88 4.438 -6.960 14.262 1.00 1.45 C ATOM 1404 CE LYS A 88 3.052 -6.353 14.408 1.00 2.05 C ATOM 1405 NZ LYS A 88 1.978 -7.342 14.119 1.00 2.87 N ATOM 0 H LYS A 88 3.865 -4.867 10.508 1.00 0.52 H new ATOM 0 HA LYS A 88 5.684 -6.113 10.246 1.00 0.53 H new ATOM 0 HB2 LYS A 88 4.360 -8.141 12.081 1.00 0.69 H new ATOM 0 HB3 LYS A 88 6.078 -7.907 11.826 1.00 0.69 H new ATOM 0 HG2 LYS A 88 6.197 -6.190 13.304 1.00 1.16 H new ATOM 0 HG3 LYS A 88 4.702 -5.466 12.744 1.00 1.16 H new ATOM 0 HD2 LYS A 88 4.355 -8.044 14.177 1.00 1.45 H new ATOM 0 HD3 LYS A 88 5.023 -6.754 15.159 1.00 1.45 H new ATOM 0 HE2 LYS A 88 2.929 -5.969 15.421 1.00 2.05 H new ATOM 0 HE3 LYS A 88 2.955 -5.504 13.732 1.00 2.05 H new ATOM 0 HZ1 LYS A 88 1.050 -6.908 14.295 1.00 2.87 H new ATOM 0 HZ2 LYS A 88 2.038 -7.639 13.124 1.00 2.87 H new ATOM 0 HZ3 LYS A 88 2.095 -8.171 14.735 1.00 2.87 H new ATOM 1419 N LEU A 89 4.306 -7.367 8.252 1.00 0.47 N ATOM 1420 CA LEU A 89 4.083 -8.291 7.146 1.00 0.46 C ATOM 1421 C LEU A 89 5.382 -8.569 6.394 1.00 0.45 C ATOM 1422 O LEU A 89 5.655 -7.958 5.360 1.00 0.43 O ATOM 1423 CB LEU A 89 3.034 -7.726 6.185 1.00 0.48 C ATOM 1424 CG LEU A 89 1.591 -7.796 6.688 1.00 0.78 C ATOM 1425 CD1 LEU A 89 0.679 -6.965 5.800 1.00 1.25 C ATOM 1426 CD2 LEU A 89 1.115 -9.238 6.743 1.00 1.31 C ATOM 0 H LEU A 89 4.192 -6.383 8.010 1.00 0.47 H new ATOM 0 HA LEU A 89 3.718 -9.231 7.561 1.00 0.46 H new ATOM 0 HB2 LEU A 89 3.279 -6.685 5.975 1.00 0.48 H new ATOM 0 HB3 LEU A 89 3.100 -8.266 5.241 1.00 0.48 H new ATOM 0 HG LEU A 89 1.556 -7.386 7.697 1.00 0.78 H new ATOM 0 HD11 LEU A 89 -0.344 -7.025 6.171 1.00 1.25 H new ATOM 0 HD12 LEU A 89 1.008 -5.926 5.811 1.00 1.25 H new ATOM 0 HD13 LEU A 89 0.718 -7.347 4.780 1.00 1.25 H new ATOM 0 HD21 LEU A 89 0.087 -9.268 7.103 1.00 1.31 H new ATOM 0 HD22 LEU A 89 1.163 -9.675 5.746 1.00 1.31 H new ATOM 0 HD23 LEU A 89 1.753 -9.806 7.420 1.00 1.31 H new ATOM 1438 N HIS A 90 6.178 -9.494 6.923 1.00 0.55 N ATOM 1439 CA HIS A 90 7.448 -9.862 6.303 1.00 0.64 C ATOM 1440 C HIS A 90 7.246 -10.282 4.849 1.00 0.60 C ATOM 1441 O HIS A 90 8.167 -10.203 4.036 1.00 0.69 O ATOM 1442 CB HIS A 90 8.113 -10.996 7.087 1.00 0.81 C ATOM 1443 CG HIS A 90 8.157 -10.760 8.565 1.00 0.97 C ATOM 1444 ND1 HIS A 90 7.615 -11.633 9.484 1.00 1.62 N ATOM 1445 CD2 HIS A 90 8.684 -9.741 9.283 1.00 0.98 C ATOM 1446 CE1 HIS A 90 7.805 -11.161 10.704 1.00 1.84 C ATOM 1447 NE2 HIS A 90 8.453 -10.013 10.610 1.00 1.38 N ATOM 0 H HIS A 90 5.966 -10.003 7.781 1.00 0.55 H new ATOM 0 HA HIS A 90 8.098 -8.987 6.321 1.00 0.64 H new ATOM 0 HB2 HIS A 90 7.576 -11.924 6.892 1.00 0.81 H new ATOM 0 HB3 HIS A 90 9.130 -11.133 6.719 1.00 0.81 H new ATOM 0 HD2 HIS A 90 9.192 -8.874 8.886 1.00 0.98 H new ATOM 0 HE1 HIS A 90 7.485 -11.633 11.621 1.00 1.84 H new ATOM 0 HE2 HIS A 90 8.735 -9.425 11.394 1.00 1.38 H new ATOM 1456 N ASN A 91 6.035 -10.730 4.531 1.00 0.54 N ATOM 1457 CA ASN A 91 5.709 -11.166 3.178 1.00 0.55 C ATOM 1458 C ASN A 91 5.379 -9.976 2.282 1.00 0.46 C ATOM 1459 O ASN A 91 5.927 -9.842 1.188 1.00 0.45 O ATOM 1460 CB ASN A 91 4.531 -12.143 3.205 1.00 0.63 C ATOM 1461 CG ASN A 91 4.442 -12.904 4.514 1.00 1.13 C ATOM 1462 OD1 ASN A 91 3.764 -12.476 5.449 1.00 1.98 O ATOM 1463 ND2 ASN A 91 5.127 -14.039 4.588 1.00 1.60 N ATOM 0 H ASN A 91 5.263 -10.800 5.193 1.00 0.54 H new ATOM 0 HA ASN A 91 6.583 -11.671 2.767 1.00 0.55 H new ATOM 0 HB2 ASN A 91 3.603 -11.594 3.043 1.00 0.63 H new ATOM 0 HB3 ASN A 91 4.630 -12.851 2.382 1.00 0.63 H new ATOM 0 HD21 ASN A 91 5.104 -14.593 5.444 1.00 1.60 H new ATOM 0 HD22 ASN A 91 5.676 -14.356 3.789 1.00 1.60 H new ATOM 1470 N ALA A 92 4.475 -9.118 2.748 1.00 0.42 N ATOM 1471 CA ALA A 92 4.077 -7.938 1.987 1.00 0.39 C ATOM 1472 C ALA A 92 5.292 -7.112 1.586 1.00 0.36 C ATOM 1473 O ALA A 92 5.367 -6.601 0.468 1.00 0.38 O ATOM 1474 CB ALA A 92 3.103 -7.092 2.794 1.00 0.41 C ATOM 0 H ALA A 92 4.005 -9.218 3.648 1.00 0.42 H new ATOM 0 HA ALA A 92 3.580 -8.273 1.076 1.00 0.39 H new ATOM 0 HB1 ALA A 92 2.815 -6.215 2.214 1.00 0.41 H new ATOM 0 HB2 ALA A 92 2.216 -7.681 3.026 1.00 0.41 H new ATOM 0 HB3 ALA A 92 3.580 -6.773 3.721 1.00 0.41 H new ATOM 1480 N MET A 93 6.241 -6.980 2.507 1.00 0.39 N ATOM 1481 CA MET A 93 7.459 -6.220 2.250 1.00 0.43 C ATOM 1482 C MET A 93 8.224 -6.808 1.070 1.00 0.40 C ATOM 1483 O MET A 93 8.421 -6.145 0.052 1.00 0.39 O ATOM 1484 CB MET A 93 8.350 -6.205 3.493 1.00 0.55 C ATOM 1485 CG MET A 93 8.055 -5.052 4.438 1.00 0.71 C ATOM 1486 SD MET A 93 8.712 -5.325 6.093 1.00 1.06 S ATOM 1487 CE MET A 93 7.203 -5.351 7.058 1.00 1.29 C ATOM 0 H MET A 93 6.190 -7.390 3.439 1.00 0.39 H new ATOM 0 HA MET A 93 7.175 -5.197 2.005 1.00 0.43 H new ATOM 0 HB2 MET A 93 8.226 -7.145 4.030 1.00 0.55 H new ATOM 0 HB3 MET A 93 9.393 -6.151 3.182 1.00 0.55 H new ATOM 0 HG2 MET A 93 8.480 -4.135 4.030 1.00 0.71 H new ATOM 0 HG3 MET A 93 6.977 -4.904 4.499 1.00 0.71 H new ATOM 0 HE1 MET A 93 7.374 -5.896 7.986 1.00 1.29 H new ATOM 0 HE2 MET A 93 6.900 -4.329 7.288 1.00 1.29 H new ATOM 0 HE3 MET A 93 6.415 -5.843 6.488 1.00 1.29 H new ATOM 1497 N ARG A 94 8.654 -8.059 1.217 1.00 0.44 N ATOM 1498 CA ARG A 94 9.397 -8.744 0.165 1.00 0.45 C ATOM 1499 C ARG A 94 8.579 -8.831 -1.122 1.00 0.44 C ATOM 1500 O ARG A 94 9.111 -9.145 -2.185 1.00 0.49 O ATOM 1501 CB ARG A 94 9.805 -10.146 0.625 1.00 0.55 C ATOM 1502 CG ARG A 94 8.631 -11.092 0.823 1.00 1.28 C ATOM 1503 CD ARG A 94 9.096 -12.530 0.984 1.00 1.44 C ATOM 1504 NE ARG A 94 9.468 -12.835 2.363 1.00 1.97 N ATOM 1505 CZ ARG A 94 10.626 -13.388 2.712 1.00 2.47 C ATOM 1506 NH1 ARG A 94 11.525 -13.697 1.786 1.00 2.58 N ATOM 1507 NH2 ARG A 94 10.888 -13.634 3.989 1.00 3.39 N ATOM 0 H ARG A 94 8.500 -8.619 2.056 1.00 0.44 H new ATOM 0 HA ARG A 94 10.296 -8.163 -0.042 1.00 0.45 H new ATOM 0 HB2 ARG A 94 10.486 -10.576 -0.110 1.00 0.55 H new ATOM 0 HB3 ARG A 94 10.356 -10.065 1.562 1.00 0.55 H new ATOM 0 HG2 ARG A 94 8.064 -10.791 1.704 1.00 1.28 H new ATOM 0 HG3 ARG A 94 7.956 -11.020 -0.030 1.00 1.28 H new ATOM 0 HD2 ARG A 94 8.302 -13.205 0.665 1.00 1.44 H new ATOM 0 HD3 ARG A 94 9.949 -12.710 0.330 1.00 1.44 H new ATOM 0 HE ARG A 94 8.801 -12.611 3.101 1.00 1.97 H new ATOM 0 HH11 ARG A 94 11.329 -13.510 0.803 1.00 2.58 H new ATOM 0 HH12 ARG A 94 12.412 -14.121 2.058 1.00 2.58 H new ATOM 0 HH21 ARG A 94 10.201 -13.399 4.705 1.00 3.39 H new ATOM 0 HH22 ARG A 94 11.777 -14.058 4.255 1.00 3.39 H new ATOM 1521 N LEU A 95 7.282 -8.553 -1.016 1.00 0.44 N ATOM 1522 CA LEU A 95 6.395 -8.600 -2.173 1.00 0.47 C ATOM 1523 C LEU A 95 6.555 -7.349 -3.033 1.00 0.46 C ATOM 1524 O LEU A 95 6.415 -7.403 -4.255 1.00 0.52 O ATOM 1525 CB LEU A 95 4.938 -8.749 -1.723 1.00 0.53 C ATOM 1526 CG LEU A 95 4.307 -10.113 -2.012 1.00 0.55 C ATOM 1527 CD1 LEU A 95 3.434 -10.559 -0.847 1.00 0.79 C ATOM 1528 CD2 LEU A 95 3.494 -10.061 -3.296 1.00 0.67 C ATOM 0 H LEU A 95 6.824 -8.294 -0.143 1.00 0.44 H new ATOM 0 HA LEU A 95 6.668 -9.467 -2.775 1.00 0.47 H new ATOM 0 HB2 LEU A 95 4.884 -8.560 -0.651 1.00 0.53 H new ATOM 0 HB3 LEU A 95 4.342 -7.979 -2.213 1.00 0.53 H new ATOM 0 HG LEU A 95 5.108 -10.841 -2.138 1.00 0.55 H new ATOM 0 HD11 LEU A 95 2.995 -11.531 -1.073 1.00 0.79 H new ATOM 0 HD12 LEU A 95 4.042 -10.636 0.055 1.00 0.79 H new ATOM 0 HD13 LEU A 95 2.639 -9.830 -0.688 1.00 0.79 H new ATOM 0 HD21 LEU A 95 3.052 -11.039 -3.487 1.00 0.67 H new ATOM 0 HD22 LEU A 95 2.702 -9.319 -3.196 1.00 0.67 H new ATOM 0 HD23 LEU A 95 4.144 -9.788 -4.127 1.00 0.67 H new ATOM 1540 N ILE A 96 6.849 -6.221 -2.388 1.00 0.43 N ATOM 1541 CA ILE A 96 7.031 -4.959 -3.097 1.00 0.50 C ATOM 1542 C ILE A 96 8.372 -4.316 -2.750 1.00 0.61 C ATOM 1543 O ILE A 96 8.438 -3.130 -2.428 1.00 1.29 O ATOM 1544 CB ILE A 96 5.902 -3.958 -2.779 1.00 0.58 C ATOM 1545 CG1 ILE A 96 5.592 -3.958 -1.279 1.00 0.52 C ATOM 1546 CG2 ILE A 96 4.657 -4.291 -3.585 1.00 0.76 C ATOM 1547 CD1 ILE A 96 5.702 -2.590 -0.640 1.00 0.48 C ATOM 0 H ILE A 96 6.966 -6.157 -1.377 1.00 0.43 H new ATOM 0 HA ILE A 96 7.006 -5.196 -4.161 1.00 0.50 H new ATOM 0 HB ILE A 96 6.235 -2.958 -3.059 1.00 0.58 H new ATOM 0 HG12 ILE A 96 4.584 -4.343 -1.124 1.00 0.52 H new ATOM 0 HG13 ILE A 96 6.275 -4.642 -0.775 1.00 0.52 H new ATOM 0 HG21 ILE A 96 3.869 -3.576 -3.350 1.00 0.76 H new ATOM 0 HG22 ILE A 96 4.888 -4.239 -4.649 1.00 0.76 H new ATOM 0 HG23 ILE A 96 4.320 -5.297 -3.335 1.00 0.76 H new ATOM 0 HD11 ILE A 96 5.469 -2.665 0.422 1.00 0.48 H new ATOM 0 HD12 ILE A 96 6.717 -2.211 -0.763 1.00 0.48 H new ATOM 0 HD13 ILE A 96 4.999 -1.907 -1.118 1.00 0.48 H new ATOM 1559 N LYS A 97 9.439 -5.105 -2.820 1.00 0.66 N ATOM 1560 CA LYS A 97 10.776 -4.608 -2.514 1.00 0.66 C ATOM 1561 C LYS A 97 11.533 -4.262 -3.794 1.00 0.82 C ATOM 1562 O LYS A 97 12.423 -4.998 -4.223 1.00 1.43 O ATOM 1563 CB LYS A 97 11.558 -5.643 -1.701 1.00 0.74 C ATOM 1564 CG LYS A 97 11.500 -7.047 -2.281 1.00 1.33 C ATOM 1565 CD LYS A 97 12.802 -7.796 -2.052 1.00 1.77 C ATOM 1566 CE LYS A 97 12.695 -9.247 -2.488 1.00 2.29 C ATOM 1567 NZ LYS A 97 12.941 -9.407 -3.948 1.00 2.85 N ATOM 0 H LYS A 97 9.404 -6.089 -3.085 1.00 0.66 H new ATOM 0 HA LYS A 97 10.672 -3.700 -1.920 1.00 0.66 H new ATOM 0 HB2 LYS A 97 12.600 -5.329 -1.636 1.00 0.74 H new ATOM 0 HB3 LYS A 97 11.167 -5.663 -0.684 1.00 0.74 H new ATOM 0 HG2 LYS A 97 10.677 -7.597 -1.825 1.00 1.33 H new ATOM 0 HG3 LYS A 97 11.293 -6.992 -3.350 1.00 1.33 H new ATOM 0 HD2 LYS A 97 13.605 -7.308 -2.604 1.00 1.77 H new ATOM 0 HD3 LYS A 97 13.068 -7.751 -0.996 1.00 1.77 H new ATOM 0 HE2 LYS A 97 13.414 -9.848 -1.931 1.00 2.29 H new ATOM 0 HE3 LYS A 97 11.703 -9.628 -2.243 1.00 2.29 H new ATOM 0 HZ1 LYS A 97 12.859 -10.411 -4.206 1.00 2.85 H new ATOM 0 HZ2 LYS A 97 12.239 -8.854 -4.481 1.00 2.85 H new ATOM 0 HZ3 LYS A 97 13.897 -9.067 -4.178 1.00 2.85 H new ATOM 1581 N ASP A 98 11.175 -3.131 -4.395 1.00 0.74 N ATOM 1582 CA ASP A 98 11.811 -2.681 -5.632 1.00 0.85 C ATOM 1583 C ASP A 98 11.312 -1.296 -6.037 1.00 0.73 C ATOM 1584 O ASP A 98 11.985 -0.578 -6.777 1.00 0.84 O ATOM 1585 CB ASP A 98 11.543 -3.678 -6.762 1.00 1.04 C ATOM 1586 CG ASP A 98 12.610 -3.632 -7.837 1.00 1.30 C ATOM 1587 OD1 ASP A 98 13.790 -3.891 -7.514 1.00 1.63 O ATOM 1588 OD2 ASP A 98 12.268 -3.338 -9.001 1.00 1.64 O ATOM 0 H ASP A 98 10.447 -2.508 -4.046 1.00 0.74 H new ATOM 0 HA ASP A 98 12.884 -2.621 -5.452 1.00 0.85 H new ATOM 0 HB2 ASP A 98 11.490 -4.685 -6.349 1.00 1.04 H new ATOM 0 HB3 ASP A 98 10.572 -3.465 -7.208 1.00 1.04 H new ATOM 1593 N TYR A 99 10.131 -0.924 -5.549 1.00 0.60 N ATOM 1594 CA TYR A 99 9.548 0.374 -5.866 1.00 0.64 C ATOM 1595 C TYR A 99 9.729 1.348 -4.706 1.00 0.78 C ATOM 1596 O TYR A 99 9.294 2.497 -4.775 1.00 1.08 O ATOM 1597 CB TYR A 99 8.059 0.223 -6.188 1.00 0.63 C ATOM 1598 CG TYR A 99 7.766 -0.817 -7.245 1.00 0.65 C ATOM 1599 CD1 TYR A 99 7.662 -2.163 -6.913 1.00 0.75 C ATOM 1600 CD2 TYR A 99 7.595 -0.456 -8.577 1.00 0.74 C ATOM 1601 CE1 TYR A 99 7.396 -3.118 -7.876 1.00 0.92 C ATOM 1602 CE2 TYR A 99 7.328 -1.405 -9.545 1.00 0.84 C ATOM 1603 CZ TYR A 99 7.223 -2.730 -9.191 1.00 0.93 C ATOM 1604 OH TYR A 99 6.965 -3.682 -10.152 1.00 1.13 O ATOM 0 H TYR A 99 9.561 -1.504 -4.933 1.00 0.60 H new ATOM 0 HA TYR A 99 10.065 0.773 -6.739 1.00 0.64 H new ATOM 0 HB2 TYR A 99 7.524 -0.039 -5.275 1.00 0.63 H new ATOM 0 HB3 TYR A 99 7.669 1.185 -6.520 1.00 0.63 H new ATOM 0 HD1 TYR A 99 7.791 -2.468 -5.885 1.00 0.75 H new ATOM 0 HD2 TYR A 99 7.672 0.584 -8.860 1.00 0.74 H new ATOM 0 HE1 TYR A 99 7.324 -4.160 -7.603 1.00 0.92 H new ATOM 0 HE2 TYR A 99 7.202 -1.108 -10.576 1.00 0.84 H new ATOM 0 HH TYR A 99 6.868 -3.248 -11.025 1.00 1.13 H new ATOM 1614 N VAL A 100 10.372 0.879 -3.642 1.00 0.68 N ATOM 1615 CA VAL A 100 10.614 1.708 -2.467 1.00 0.84 C ATOM 1616 C VAL A 100 12.040 2.248 -2.464 1.00 1.12 C ATOM 1617 O VAL A 100 12.761 2.127 -3.454 1.00 1.37 O ATOM 1618 CB VAL A 100 10.363 0.931 -1.159 1.00 0.72 C ATOM 1619 CG1 VAL A 100 8.938 1.151 -0.675 1.00 0.99 C ATOM 1620 CG2 VAL A 100 10.646 -0.553 -1.346 1.00 0.84 C ATOM 0 H VAL A 100 10.735 -0.071 -3.569 1.00 0.68 H new ATOM 0 HA VAL A 100 9.912 2.540 -2.519 1.00 0.84 H new ATOM 0 HB VAL A 100 11.047 1.310 -0.400 1.00 0.72 H new ATOM 0 HG11 VAL A 100 8.778 0.596 0.249 1.00 0.99 H new ATOM 0 HG12 VAL A 100 8.776 2.213 -0.493 1.00 0.99 H new ATOM 0 HG13 VAL A 100 8.238 0.802 -1.434 1.00 0.99 H new ATOM 0 HG21 VAL A 100 10.462 -1.079 -0.409 1.00 0.84 H new ATOM 0 HG22 VAL A 100 9.993 -0.953 -2.122 1.00 0.84 H new ATOM 0 HG23 VAL A 100 11.686 -0.691 -1.641 1.00 0.84 H new ATOM 1630 N SER A 101 12.437 2.847 -1.345 1.00 1.24 N ATOM 1631 CA SER A 101 13.777 3.410 -1.208 1.00 1.56 C ATOM 1632 C SER A 101 14.849 2.366 -1.510 1.00 1.20 C ATOM 1633 O SER A 101 14.568 1.168 -1.569 1.00 1.50 O ATOM 1634 CB SER A 101 13.974 3.968 0.202 1.00 2.21 C ATOM 1635 OG SER A 101 13.796 5.373 0.225 1.00 2.53 O ATOM 0 H SER A 101 11.849 2.955 -0.519 1.00 1.24 H new ATOM 0 HA SER A 101 13.877 4.219 -1.932 1.00 1.56 H new ATOM 0 HB2 SER A 101 13.266 3.498 0.885 1.00 2.21 H new ATOM 0 HB3 SER A 101 14.974 3.719 0.558 1.00 2.21 H new ATOM 0 HG SER A 101 13.926 5.704 1.138 1.00 2.53 H new ATOM 1641 N GLU A 102 16.079 2.832 -1.697 1.00 1.32 N ATOM 1642 CA GLU A 102 17.201 1.948 -1.993 1.00 1.81 C ATOM 1643 C GLU A 102 17.938 1.561 -0.715 1.00 1.95 C ATOM 1644 O GLU A 102 18.865 0.753 -0.742 1.00 2.25 O ATOM 1645 CB GLU A 102 18.165 2.625 -2.968 1.00 2.43 C ATOM 1646 CG GLU A 102 18.585 1.736 -4.127 1.00 3.30 C ATOM 1647 CD GLU A 102 19.820 2.251 -4.838 1.00 3.82 C ATOM 1648 OE1 GLU A 102 20.934 2.060 -4.306 1.00 4.07 O ATOM 1649 OE2 GLU A 102 19.675 2.844 -5.927 1.00 4.26 O ATOM 0 H GLU A 102 16.325 3.821 -1.649 1.00 1.32 H new ATOM 0 HA GLU A 102 16.808 1.041 -2.453 1.00 1.81 H new ATOM 0 HB2 GLU A 102 17.695 3.525 -3.364 1.00 2.43 H new ATOM 0 HB3 GLU A 102 19.055 2.943 -2.424 1.00 2.43 H new ATOM 0 HG2 GLU A 102 18.777 0.729 -3.757 1.00 3.30 H new ATOM 0 HG3 GLU A 102 17.764 1.663 -4.840 1.00 3.30 H new ATOM 1656 N ASP A 103 17.522 2.148 0.402 1.00 1.90 N ATOM 1657 CA ASP A 103 18.145 1.870 1.691 1.00 2.17 C ATOM 1658 C ASP A 103 17.905 0.423 2.119 1.00 1.97 C ATOM 1659 O ASP A 103 18.739 -0.178 2.794 1.00 2.18 O ATOM 1660 CB ASP A 103 17.602 2.824 2.756 1.00 2.39 C ATOM 1661 CG ASP A 103 18.690 3.672 3.384 1.00 2.79 C ATOM 1662 OD1 ASP A 103 18.965 4.770 2.855 1.00 3.12 O ATOM 1663 OD2 ASP A 103 19.268 3.239 4.403 1.00 3.15 O ATOM 0 H ASP A 103 16.755 2.820 0.441 1.00 1.90 H new ATOM 0 HA ASP A 103 19.219 2.022 1.585 1.00 2.17 H new ATOM 0 HB2 ASP A 103 16.852 3.475 2.307 1.00 2.39 H new ATOM 0 HB3 ASP A 103 17.100 2.248 3.534 1.00 2.39 H new ATOM 1668 N LEU A 104 16.760 -0.129 1.723 1.00 1.66 N ATOM 1669 CA LEU A 104 16.416 -1.504 2.070 1.00 1.57 C ATOM 1670 C LEU A 104 17.013 -2.494 1.074 1.00 1.70 C ATOM 1671 O LEU A 104 16.472 -3.577 0.862 1.00 1.91 O ATOM 1672 CB LEU A 104 14.897 -1.678 2.133 1.00 1.43 C ATOM 1673 CG LEU A 104 14.157 -1.428 0.818 1.00 1.27 C ATOM 1674 CD1 LEU A 104 13.365 -2.661 0.409 1.00 1.68 C ATOM 1675 CD2 LEU A 104 13.240 -0.221 0.945 1.00 1.73 C ATOM 0 H LEU A 104 16.057 0.354 1.163 1.00 1.66 H new ATOM 0 HA LEU A 104 16.839 -1.712 3.053 1.00 1.57 H new ATOM 0 HB2 LEU A 104 14.677 -2.692 2.468 1.00 1.43 H new ATOM 0 HB3 LEU A 104 14.501 -1.000 2.889 1.00 1.43 H new ATOM 0 HG LEU A 104 14.893 -1.220 0.042 1.00 1.27 H new ATOM 0 HD11 LEU A 104 12.845 -2.465 -0.529 1.00 1.68 H new ATOM 0 HD12 LEU A 104 14.045 -3.503 0.278 1.00 1.68 H new ATOM 0 HD13 LEU A 104 12.637 -2.900 1.184 1.00 1.68 H new ATOM 0 HD21 LEU A 104 12.721 -0.057 0.000 1.00 1.73 H new ATOM 0 HD22 LEU A 104 12.510 -0.400 1.734 1.00 1.73 H new ATOM 0 HD23 LEU A 104 13.831 0.661 1.192 1.00 1.73 H new ATOM 1687 N HIS A 105 18.128 -2.112 0.460 1.00 1.83 N ATOM 1688 CA HIS A 105 18.805 -2.976 -0.501 1.00 2.15 C ATOM 1689 C HIS A 105 20.129 -3.461 0.079 1.00 2.44 C ATOM 1690 O HIS A 105 21.202 -3.024 -0.340 1.00 2.79 O ATOM 1691 CB HIS A 105 19.044 -2.233 -1.817 1.00 2.42 C ATOM 1692 CG HIS A 105 17.857 -2.233 -2.731 1.00 2.36 C ATOM 1693 ND1 HIS A 105 17.966 -2.256 -4.106 1.00 2.91 N ATOM 1694 CD2 HIS A 105 16.529 -2.211 -2.462 1.00 2.29 C ATOM 1695 CE1 HIS A 105 16.759 -2.245 -4.643 1.00 3.15 C ATOM 1696 NE2 HIS A 105 15.871 -2.219 -3.667 1.00 2.81 N ATOM 0 H HIS A 105 18.582 -1.211 0.610 1.00 1.83 H new ATOM 0 HA HIS A 105 18.169 -3.838 -0.704 1.00 2.15 H new ATOM 0 HB2 HIS A 105 19.322 -1.202 -1.597 1.00 2.42 H new ATOM 0 HB3 HIS A 105 19.889 -2.688 -2.333 1.00 2.42 H new ATOM 0 HD2 HIS A 105 16.073 -2.191 -1.483 1.00 2.29 H new ATOM 0 HE1 HIS A 105 16.537 -2.255 -5.700 1.00 3.15 H new ATOM 0 HE2 HIS A 105 14.858 -2.207 -3.788 1.00 2.81 H new ATOM 1705 N LYS A 106 20.042 -4.369 1.046 1.00 2.38 N ATOM 1706 CA LYS A 106 21.229 -4.903 1.701 1.00 2.72 C ATOM 1707 C LYS A 106 20.978 -6.306 2.247 1.00 2.73 C ATOM 1708 O LYS A 106 21.877 -7.148 2.267 1.00 3.11 O ATOM 1709 CB LYS A 106 21.643 -3.978 2.846 1.00 2.83 C ATOM 1710 CG LYS A 106 20.522 -3.698 3.839 1.00 2.56 C ATOM 1711 CD LYS A 106 20.628 -4.588 5.067 1.00 2.86 C ATOM 1712 CE LYS A 106 20.535 -3.782 6.352 1.00 3.00 C ATOM 1713 NZ LYS A 106 21.776 -3.000 6.609 1.00 3.43 N ATOM 0 H LYS A 106 19.162 -4.750 1.393 1.00 2.38 H new ATOM 0 HA LYS A 106 22.027 -4.962 0.961 1.00 2.72 H new ATOM 0 HB2 LYS A 106 22.484 -4.424 3.377 1.00 2.83 H new ATOM 0 HB3 LYS A 106 21.993 -3.033 2.430 1.00 2.83 H new ATOM 0 HG2 LYS A 106 20.557 -2.652 4.143 1.00 2.56 H new ATOM 0 HG3 LYS A 106 19.558 -3.857 3.355 1.00 2.56 H new ATOM 0 HD2 LYS A 106 19.833 -5.334 5.046 1.00 2.86 H new ATOM 0 HD3 LYS A 106 21.574 -5.129 5.044 1.00 2.86 H new ATOM 0 HE2 LYS A 106 19.684 -3.103 6.294 1.00 3.00 H new ATOM 0 HE3 LYS A 106 20.350 -4.455 7.190 1.00 3.00 H new ATOM 0 HZ1 LYS A 106 21.672 -2.464 7.494 1.00 3.43 H new ATOM 0 HZ2 LYS A 106 22.585 -3.649 6.690 1.00 3.43 H new ATOM 0 HZ3 LYS A 106 21.939 -2.340 5.822 1.00 3.43 H new ATOM 1727 N TYR A 107 19.749 -6.545 2.685 1.00 2.40 N ATOM 1728 CA TYR A 107 19.369 -7.833 3.249 1.00 2.46 C ATOM 1729 C TYR A 107 18.835 -8.760 2.165 1.00 2.35 C ATOM 1730 O TYR A 107 18.589 -9.942 2.410 1.00 2.42 O ATOM 1731 CB TYR A 107 18.307 -7.634 4.330 1.00 2.46 C ATOM 1732 CG TYR A 107 17.011 -7.080 3.789 1.00 2.20 C ATOM 1733 CD1 TYR A 107 16.004 -7.927 3.346 1.00 2.20 C ATOM 1734 CD2 TYR A 107 16.799 -5.708 3.707 1.00 2.03 C ATOM 1735 CE1 TYR A 107 14.822 -7.427 2.839 1.00 2.07 C ATOM 1736 CE2 TYR A 107 15.621 -5.200 3.203 1.00 1.88 C ATOM 1737 CZ TYR A 107 14.634 -6.061 2.769 1.00 1.92 C ATOM 1738 OH TYR A 107 13.457 -5.556 2.265 1.00 1.91 O ATOM 0 H TYR A 107 18.994 -5.859 2.660 1.00 2.40 H new ATOM 0 HA TYR A 107 20.254 -8.291 3.691 1.00 2.46 H new ATOM 0 HB2 TYR A 107 18.112 -8.588 4.820 1.00 2.46 H new ATOM 0 HB3 TYR A 107 18.695 -6.958 5.092 1.00 2.46 H new ATOM 0 HD1 TYR A 107 16.148 -8.996 3.399 1.00 2.20 H new ATOM 0 HD2 TYR A 107 17.569 -5.030 4.043 1.00 2.03 H new ATOM 0 HE1 TYR A 107 14.049 -8.100 2.499 1.00 2.07 H new ATOM 0 HE2 TYR A 107 15.471 -4.132 3.148 1.00 1.88 H new ATOM 0 HH TYR A 107 13.380 -4.608 2.501 1.00 1.91 H new ATOM 1748 N ILE A 108 18.656 -8.211 0.969 1.00 2.27 N ATOM 1749 CA ILE A 108 18.145 -8.976 -0.158 1.00 2.27 C ATOM 1750 C ILE A 108 18.942 -10.270 -0.343 1.00 2.49 C ATOM 1751 O ILE A 108 20.146 -10.231 -0.601 1.00 2.67 O ATOM 1752 CB ILE A 108 18.187 -8.137 -1.455 1.00 2.29 C ATOM 1753 CG1 ILE A 108 16.913 -7.301 -1.586 1.00 2.08 C ATOM 1754 CG2 ILE A 108 18.363 -9.025 -2.676 1.00 2.59 C ATOM 1755 CD1 ILE A 108 16.890 -6.092 -0.678 1.00 1.86 C ATOM 0 H ILE A 108 18.859 -7.234 0.756 1.00 2.27 H new ATOM 0 HA ILE A 108 17.108 -9.234 0.056 1.00 2.27 H new ATOM 0 HB ILE A 108 19.045 -7.468 -1.398 1.00 2.29 H new ATOM 0 HG12 ILE A 108 16.809 -6.971 -2.620 1.00 2.08 H new ATOM 0 HG13 ILE A 108 16.051 -7.929 -1.363 1.00 2.08 H new ATOM 0 HG21 ILE A 108 18.389 -8.408 -3.574 1.00 2.59 H new ATOM 0 HG22 ILE A 108 19.297 -9.581 -2.590 1.00 2.59 H new ATOM 0 HG23 ILE A 108 17.529 -9.724 -2.741 1.00 2.59 H new ATOM 0 HD11 ILE A 108 15.958 -5.545 -0.823 1.00 1.86 H new ATOM 0 HD12 ILE A 108 16.963 -6.415 0.360 1.00 1.86 H new ATOM 0 HD13 ILE A 108 17.732 -5.442 -0.916 1.00 1.86 H new ATOM 1767 N PRO A 109 18.280 -11.436 -0.205 1.00 2.54 N ATOM 1768 CA PRO A 109 18.936 -12.734 -0.355 1.00 2.77 C ATOM 1769 C PRO A 109 19.071 -13.155 -1.814 1.00 3.02 C ATOM 1770 O PRO A 109 18.539 -12.500 -2.711 1.00 3.11 O ATOM 1771 CB PRO A 109 17.998 -13.677 0.392 1.00 2.80 C ATOM 1772 CG PRO A 109 16.644 -13.075 0.225 1.00 2.70 C ATOM 1773 CD PRO A 109 16.842 -11.583 0.107 1.00 2.48 C ATOM 0 HA PRO A 109 19.957 -12.727 0.027 1.00 2.77 H new ATOM 0 HB2 PRO A 109 18.037 -14.685 -0.022 1.00 2.80 H new ATOM 0 HB3 PRO A 109 18.270 -13.754 1.445 1.00 2.80 H new ATOM 0 HG2 PRO A 109 16.152 -13.471 -0.663 1.00 2.70 H new ATOM 0 HG3 PRO A 109 16.007 -13.314 1.076 1.00 2.70 H new ATOM 0 HD2 PRO A 109 16.218 -11.159 -0.679 1.00 2.48 H new ATOM 0 HD3 PRO A 109 16.580 -11.071 1.033 1.00 2.48 H new ATOM 1781 N ARG A 110 19.788 -14.251 -2.043 1.00 3.26 N ATOM 1782 CA ARG A 110 19.995 -14.763 -3.393 1.00 3.61 C ATOM 1783 C ARG A 110 18.793 -15.578 -3.856 1.00 3.87 C ATOM 1784 O ARG A 110 18.777 -15.990 -5.035 1.00 4.38 O ATOM 1785 CB ARG A 110 21.260 -15.621 -3.447 1.00 4.21 C ATOM 1786 CG ARG A 110 22.405 -14.968 -4.203 1.00 4.62 C ATOM 1787 CD ARG A 110 23.498 -14.493 -3.260 1.00 5.34 C ATOM 1788 NE ARG A 110 22.975 -13.625 -2.208 1.00 5.83 N ATOM 1789 CZ ARG A 110 23.089 -12.300 -2.220 1.00 6.55 C ATOM 1790 NH1 ARG A 110 23.695 -11.693 -3.231 1.00 6.84 N ATOM 1791 NH2 ARG A 110 22.592 -11.581 -1.222 1.00 7.27 N ATOM 1792 OXT ARG A 110 17.878 -15.801 -3.035 1.00 4.05 O ATOM 0 H ARG A 110 20.236 -14.802 -1.310 1.00 3.26 H new ATOM 0 HA ARG A 110 20.113 -13.912 -4.063 1.00 3.61 H new ATOM 0 HB2 ARG A 110 21.585 -15.839 -2.430 1.00 4.21 H new ATOM 0 HB3 ARG A 110 21.022 -16.575 -3.917 1.00 4.21 H new ATOM 0 HG2 ARG A 110 22.823 -15.678 -4.917 1.00 4.62 H new ATOM 0 HG3 ARG A 110 22.027 -14.123 -4.778 1.00 4.62 H new ATOM 0 HD2 ARG A 110 23.987 -15.356 -2.808 1.00 5.34 H new ATOM 0 HD3 ARG A 110 24.259 -13.957 -3.828 1.00 5.34 H new ATOM 0 HE ARG A 110 22.495 -14.060 -1.420 1.00 5.83 H new ATOM 0 HH11 ARG A 110 24.075 -12.242 -4.002 1.00 6.84 H new ATOM 0 HH12 ARG A 110 23.781 -10.677 -3.238 1.00 6.84 H new ATOM 0 HH21 ARG A 110 22.122 -12.044 -0.444 1.00 7.27 H new ATOM 0 HH22 ARG A 110 22.680 -10.565 -1.232 1.00 7.27 H new TER 1806 ARG A 110