USER MOD reduce.3.24.130724 H: found=0, std=0, add=911, rem=0, adj=23 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 76 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 78 GLN : amide:sc= 0 K(o=0,f=-0.69) USER MOD Set 2.1: A 75 HIS : no HD1:sc= -0.113 X(o=0.0098,f=-0.16) USER MOD Set 2.2: A 79 THR OG1 : rot 120:sc= 0.123 USER MOD Set 3.1: A 25 CYS SG : rot 159:sc= -0.993 USER MOD Set 3.2: A 63 ASN : amide:sc= -0.308 K(o=-1.3,f=-3.6!) USER MOD Set 4.1: A 35 GLN : amide:sc= 0 X(o=1.2,f=1.2) USER MOD Set 4.2: A 39 THR OG1 : rot 81:sc= 1.22 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 HIS : no HD1:sc= 0 X(o=0,f=-0.0012) USER MOD Single : A 4 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 HIS : no HD1:sc=-0.00116 X(o=-0.0012,f=0) USER MOD Single : A 9 ASN : amide:sc= -0.235 K(o=-0.24,f=-2.8!) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 MET CE :methyl 176:sc= -0.633 (180deg=-0.667) USER MOD Single : A 23 GLN : amide:sc=-0.00199 X(o=-0.002,f=-0.25) USER MOD Single : A 27 HIS :FLIP no HD1:sc= -0.0197 F(o=-0.78,f=-0.02) USER MOD Single : A 36 GLN :FLIP amide:sc= -5.36! C(o=-6.7!,f=-5.4!) 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=-0.000697 K(o=-0.0007,f=-1.8!) USER MOD Single : A 50 GLN : amide:sc= 0 K(o=0,f=-0.98) USER MOD Single : A 52 SER OG : rot -52:sc= 0.784 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 54 GLN : amide:sc= -0.0461 X(o=-0.046,f=0) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 GLN : amide:sc= -0.0489 X(o=-0.049,f=-0.024) USER MOD Single : A 60 SER OG : rot 180:sc= 0.0206 USER MOD Single : A 62 SER OG : rot 162:sc= -0.224! USER MOD Single : A 67 ASN : amide:sc= -0.0157 X(o=-0.016,f=-0.24) USER MOD Single : A 72 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0155) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 91 ASN : amide:sc= -0.0137 K(o=-0.014,f=-1.4) USER MOD Single : A 93 MET CE :methyl -128:sc= 0 (180deg=-0.181) USER MOD Single : A 97 LYS NZ :NH3+ 146:sc= -0.0236 (180deg=-1.44) USER MOD Single : A 99 TYR OH : rot 174:sc= -1.11 USER MOD Single : A 101 SER OG : rot -171:sc= 0.241 USER MOD Single : A 105 HIS : no HD1:sc= 0 X(o=0,f=-0.11) USER MOD Single : A 106 LYS NZ :NH3+ 158:sc= -0.0249 (180deg=-0.252) USER MOD Single : A 107 TYR OH : rot 180:sc= -0.385 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 8.698 20.966 -1.388 1.00 14.04 N ATOM 2 CA GLY A 1 9.948 20.199 -1.124 1.00 13.85 C ATOM 3 C GLY A 1 11.196 21.030 -1.349 1.00 13.29 C ATOM 4 O GLY A 1 12.080 20.641 -2.113 1.00 13.45 O ATOM 0 H1 GLY A 1 7.874 20.355 -1.220 1.00 14.04 H new ATOM 0 H2 GLY A 1 8.654 21.788 -0.753 1.00 14.04 H new ATOM 0 H3 GLY A 1 8.692 21.291 -2.376 1.00 14.04 H new ATOM 0 HA2 GLY A 1 9.938 19.836 -0.096 1.00 13.85 H new ATOM 0 HA3 GLY A 1 9.977 19.323 -1.772 1.00 13.85 H new ATOM 10 N SER A 2 11.270 22.175 -0.679 1.00 12.81 N ATOM 11 CA SER A 2 12.418 23.066 -0.808 1.00 12.44 C ATOM 12 C SER A 2 13.643 22.482 -0.112 1.00 11.66 C ATOM 13 O SER A 2 14.777 22.852 -0.414 1.00 11.62 O ATOM 14 CB SER A 2 12.091 24.441 -0.222 1.00 13.00 C ATOM 15 OG SER A 2 13.230 25.283 -0.229 1.00 13.39 O ATOM 0 H SER A 2 10.548 22.508 -0.040 1.00 12.81 H new ATOM 0 HA SER A 2 12.644 23.175 -1.869 1.00 12.44 H new ATOM 0 HB2 SER A 2 11.289 24.904 -0.798 1.00 13.00 H new ATOM 0 HB3 SER A 2 11.726 24.327 0.799 1.00 13.00 H new ATOM 0 HG SER A 2 12.994 26.156 0.149 1.00 13.39 H new ATOM 21 N HIS A 3 13.406 21.566 0.822 1.00 11.24 N ATOM 22 CA HIS A 3 14.489 20.928 1.564 1.00 10.68 C ATOM 23 C HIS A 3 15.384 20.116 0.632 1.00 9.83 C ATOM 24 O HIS A 3 14.951 19.678 -0.434 1.00 9.74 O ATOM 25 CB HIS A 3 13.922 20.024 2.659 1.00 11.22 C ATOM 26 CG HIS A 3 13.599 20.750 3.928 1.00 11.78 C ATOM 27 ND1 HIS A 3 14.565 21.232 4.788 1.00 12.09 N ATOM 28 CD2 HIS A 3 12.407 21.078 4.482 1.00 12.30 C ATOM 29 CE1 HIS A 3 13.980 21.822 5.815 1.00 12.74 C ATOM 30 NE2 HIS A 3 12.673 21.744 5.653 1.00 12.87 N ATOM 0 H HIS A 3 12.473 21.248 1.083 1.00 11.24 H new ATOM 0 HA HIS A 3 15.090 21.712 2.024 1.00 10.68 H new ATOM 0 HB2 HIS A 3 13.019 19.540 2.287 1.00 11.22 H new ATOM 0 HB3 HIS A 3 14.641 19.234 2.875 1.00 11.22 H new ATOM 0 HD2 HIS A 3 11.430 20.857 4.078 1.00 12.30 H new ATOM 0 HE1 HIS A 3 14.486 22.289 6.647 1.00 12.74 H new ATOM 0 HE2 HIS A 3 11.973 22.118 6.294 1.00 12.87 H new ATOM 39 N MET A 4 16.632 19.920 1.044 1.00 9.43 N ATOM 40 CA MET A 4 17.591 19.160 0.249 1.00 8.83 C ATOM 41 C MET A 4 18.580 18.426 1.150 1.00 8.04 C ATOM 42 O MET A 4 19.484 19.035 1.725 1.00 8.16 O ATOM 43 CB MET A 4 18.344 20.086 -0.708 1.00 9.24 C ATOM 44 CG MET A 4 18.784 21.397 -0.072 1.00 9.89 C ATOM 45 SD MET A 4 19.347 22.604 -1.287 1.00 10.81 S ATOM 46 CE MET A 4 19.866 23.944 -0.218 1.00 11.46 C ATOM 0 H MET A 4 17.004 20.277 1.924 1.00 9.43 H new ATOM 0 HA MET A 4 17.039 18.423 -0.334 1.00 8.83 H new ATOM 0 HB2 MET A 4 19.222 19.564 -1.088 1.00 9.24 H new ATOM 0 HB3 MET A 4 17.707 20.304 -1.565 1.00 9.24 H new ATOM 0 HG2 MET A 4 17.954 21.818 0.495 1.00 9.89 H new ATOM 0 HG3 MET A 4 19.587 21.200 0.638 1.00 9.89 H new ATOM 0 HE1 MET A 4 20.241 24.769 -0.824 1.00 11.46 H new ATOM 0 HE2 MET A 4 19.018 24.286 0.375 1.00 11.46 H new ATOM 0 HE3 MET A 4 20.656 23.594 0.447 1.00 11.46 H new ATOM 56 N SER A 5 18.402 17.114 1.271 1.00 7.48 N ATOM 57 CA SER A 5 19.276 16.296 2.104 1.00 6.96 C ATOM 58 C SER A 5 19.721 15.040 1.361 1.00 5.97 C ATOM 59 O SER A 5 20.779 14.482 1.649 1.00 5.85 O ATOM 60 CB SER A 5 18.561 15.913 3.403 1.00 7.28 C ATOM 61 OG SER A 5 18.689 14.526 3.668 1.00 7.75 O ATOM 0 H SER A 5 17.660 16.595 0.802 1.00 7.48 H new ATOM 0 HA SER A 5 20.163 16.883 2.344 1.00 6.96 H new ATOM 0 HB2 SER A 5 18.977 16.485 4.233 1.00 7.28 H new ATOM 0 HB3 SER A 5 17.506 16.177 3.332 1.00 7.28 H new ATOM 0 HG SER A 5 18.225 14.308 4.503 1.00 7.75 H new ATOM 67 N HIS A 6 18.905 14.604 0.405 1.00 5.62 N ATOM 68 CA HIS A 6 19.208 13.412 -0.382 1.00 5.03 C ATOM 69 C HIS A 6 19.426 12.203 0.524 1.00 4.34 C ATOM 70 O HIS A 6 20.561 11.849 0.841 1.00 4.70 O ATOM 71 CB HIS A 6 20.448 13.646 -1.250 1.00 5.60 C ATOM 72 CG HIS A 6 20.130 14.093 -2.644 1.00 6.21 C ATOM 73 ND1 HIS A 6 20.839 13.672 -3.750 1.00 6.80 N ATOM 74 CD2 HIS A 6 19.173 14.931 -3.111 1.00 6.70 C ATOM 75 CE1 HIS A 6 20.334 14.233 -4.835 1.00 7.53 C ATOM 76 NE2 HIS A 6 19.322 15.000 -4.474 1.00 7.49 N ATOM 0 H HIS A 6 18.027 15.060 0.156 1.00 5.62 H new ATOM 0 HA HIS A 6 18.355 13.209 -1.030 1.00 5.03 H new ATOM 0 HB2 HIS A 6 21.079 14.395 -0.772 1.00 5.60 H new ATOM 0 HB3 HIS A 6 21.028 12.724 -1.297 1.00 5.60 H new ATOM 0 HD2 HIS A 6 18.431 15.448 -2.521 1.00 6.70 H new ATOM 0 HE1 HIS A 6 20.689 14.089 -5.845 1.00 7.53 H new ATOM 0 HE2 HIS A 6 18.744 15.554 -5.106 1.00 7.49 H new ATOM 85 N LEU A 7 18.330 11.573 0.934 1.00 3.79 N ATOM 86 CA LEU A 7 18.400 10.405 1.804 1.00 3.54 C ATOM 87 C LEU A 7 17.494 9.288 1.293 1.00 3.05 C ATOM 88 O LEU A 7 17.894 8.125 1.244 1.00 3.39 O ATOM 89 CB LEU A 7 18.002 10.783 3.235 1.00 4.07 C ATOM 90 CG LEU A 7 19.039 10.450 4.313 1.00 4.94 C ATOM 91 CD1 LEU A 7 19.347 8.960 4.323 1.00 5.66 C ATOM 92 CD2 LEU A 7 20.310 11.260 4.101 1.00 5.67 C ATOM 0 H LEU A 7 17.383 11.852 0.678 1.00 3.79 H new ATOM 0 HA LEU A 7 19.429 10.045 1.801 1.00 3.54 H new ATOM 0 HB2 LEU A 7 17.800 11.854 3.267 1.00 4.07 H new ATOM 0 HB3 LEU A 7 17.070 10.275 3.482 1.00 4.07 H new ATOM 0 HG LEU A 7 18.620 10.717 5.283 1.00 4.94 H new ATOM 0 HD11 LEU A 7 20.085 8.746 5.096 1.00 5.66 H new ATOM 0 HD12 LEU A 7 18.434 8.401 4.529 1.00 5.66 H new ATOM 0 HD13 LEU A 7 19.742 8.664 3.351 1.00 5.66 H new ATOM 0 HD21 LEU A 7 21.034 11.010 4.876 1.00 5.67 H new ATOM 0 HD22 LEU A 7 20.731 11.028 3.123 1.00 5.67 H new ATOM 0 HD23 LEU A 7 20.077 12.323 4.152 1.00 5.67 H new ATOM 104 N ASP A 8 16.272 9.652 0.912 1.00 2.65 N ATOM 105 CA ASP A 8 15.309 8.681 0.405 1.00 2.38 C ATOM 106 C ASP A 8 14.791 9.092 -0.969 1.00 2.22 C ATOM 107 O ASP A 8 14.226 10.174 -1.133 1.00 2.74 O ATOM 108 CB ASP A 8 14.140 8.537 1.382 1.00 2.57 C ATOM 109 CG ASP A 8 14.555 7.892 2.689 1.00 3.32 C ATOM 110 OD1 ASP A 8 15.104 6.771 2.650 1.00 3.77 O ATOM 111 OD2 ASP A 8 14.329 8.507 3.753 1.00 3.86 O ATOM 0 H ASP A 8 15.927 10.611 0.945 1.00 2.65 H new ATOM 0 HA ASP A 8 15.815 7.721 0.308 1.00 2.38 H new ATOM 0 HB2 ASP A 8 13.716 9.521 1.584 1.00 2.57 H new ATOM 0 HB3 ASP A 8 13.354 7.940 0.919 1.00 2.57 H new ATOM 116 N ASN A 9 14.985 8.219 -1.954 1.00 1.98 N ATOM 117 CA ASN A 9 14.539 8.486 -3.316 1.00 2.16 C ATOM 118 C ASN A 9 13.740 7.309 -3.867 1.00 1.77 C ATOM 119 O ASN A 9 14.304 6.268 -4.202 1.00 2.00 O ATOM 120 CB ASN A 9 15.739 8.768 -4.223 1.00 2.89 C ATOM 121 CG ASN A 9 16.279 10.175 -4.053 1.00 3.63 C ATOM 122 OD1 ASN A 9 15.983 10.853 -3.070 1.00 4.06 O ATOM 123 ND2 ASN A 9 17.078 10.621 -5.016 1.00 4.31 N ATOM 0 H ASN A 9 15.449 7.319 -1.833 1.00 1.98 H new ATOM 0 HA ASN A 9 13.894 9.364 -3.294 1.00 2.16 H new ATOM 0 HB2 ASN A 9 16.530 8.050 -4.007 1.00 2.89 H new ATOM 0 HB3 ASN A 9 15.448 8.617 -5.263 1.00 2.89 H new ATOM 0 HD21 ASN A 9 17.472 11.560 -4.957 1.00 4.31 H new ATOM 0 HD22 ASN A 9 17.297 10.025 -5.814 1.00 4.31 H new ATOM 130 N THR A 10 12.425 7.481 -3.956 1.00 1.51 N ATOM 131 CA THR A 10 11.552 6.433 -4.468 1.00 1.25 C ATOM 132 C THR A 10 10.707 6.947 -5.635 1.00 1.22 C ATOM 133 O THR A 10 11.234 7.560 -6.563 1.00 1.93 O ATOM 134 CB THR A 10 10.633 5.886 -3.359 1.00 1.11 C ATOM 135 OG1 THR A 10 9.894 6.956 -2.760 1.00 1.23 O ATOM 136 CG2 THR A 10 11.444 5.164 -2.293 1.00 1.18 C ATOM 0 H THR A 10 11.942 8.336 -3.680 1.00 1.51 H new ATOM 0 HA THR A 10 12.188 5.623 -4.825 1.00 1.25 H new ATOM 0 HB THR A 10 9.940 5.176 -3.810 1.00 1.11 H new ATOM 0 HG1 THR A 10 9.312 6.598 -2.058 1.00 1.23 H new ATOM 0 HG21 THR A 10 10.775 4.786 -1.520 1.00 1.18 H new ATOM 0 HG22 THR A 10 11.981 4.331 -2.747 1.00 1.18 H new ATOM 0 HG23 THR A 10 12.158 5.857 -1.848 1.00 1.18 H new ATOM 144 N MET A 11 9.399 6.701 -5.588 1.00 0.77 N ATOM 145 CA MET A 11 8.502 7.148 -6.648 1.00 0.68 C ATOM 146 C MET A 11 7.054 7.161 -6.167 1.00 0.61 C ATOM 147 O MET A 11 6.570 6.184 -5.596 1.00 0.63 O ATOM 148 CB MET A 11 8.636 6.244 -7.875 1.00 0.70 C ATOM 149 CG MET A 11 8.545 4.761 -7.554 1.00 0.72 C ATOM 150 SD MET A 11 8.220 3.755 -9.015 1.00 1.23 S ATOM 151 CE MET A 11 6.663 2.994 -8.563 1.00 0.74 C ATOM 0 H MET A 11 8.940 6.197 -4.830 1.00 0.77 H new ATOM 0 HA MET A 11 8.784 8.165 -6.922 1.00 0.68 H new ATOM 0 HB2 MET A 11 7.855 6.500 -8.591 1.00 0.70 H new ATOM 0 HB3 MET A 11 9.591 6.444 -8.360 1.00 0.70 H new ATOM 0 HG2 MET A 11 9.477 4.435 -7.093 1.00 0.72 H new ATOM 0 HG3 MET A 11 7.753 4.599 -6.822 1.00 0.72 H new ATOM 0 HE1 MET A 11 6.295 2.396 -9.396 1.00 0.74 H new ATOM 0 HE2 MET A 11 6.810 2.353 -7.694 1.00 0.74 H new ATOM 0 HE3 MET A 11 5.935 3.769 -8.323 1.00 0.74 H new ATOM 161 N ALA A 12 6.375 8.281 -6.398 1.00 0.57 N ATOM 162 CA ALA A 12 4.980 8.435 -5.996 1.00 0.56 C ATOM 163 C ALA A 12 4.128 7.271 -6.481 1.00 0.48 C ATOM 164 O ALA A 12 4.401 6.675 -7.524 1.00 0.46 O ATOM 165 CB ALA A 12 4.425 9.751 -6.520 1.00 0.62 C ATOM 0 H ALA A 12 6.770 9.098 -6.863 1.00 0.57 H new ATOM 0 HA ALA A 12 4.944 8.441 -4.907 1.00 0.56 H new ATOM 0 HB1 ALA A 12 3.384 9.855 -6.214 1.00 0.62 H new ATOM 0 HB2 ALA A 12 5.007 10.579 -6.114 1.00 0.62 H new ATOM 0 HB3 ALA A 12 4.486 9.764 -7.608 1.00 0.62 H new ATOM 171 N ILE A 13 3.097 6.956 -5.710 1.00 0.46 N ATOM 172 CA ILE A 13 2.187 5.868 -6.037 1.00 0.44 C ATOM 173 C ILE A 13 1.567 6.071 -7.421 1.00 0.43 C ATOM 174 O ILE A 13 1.121 5.115 -8.059 1.00 0.45 O ATOM 175 CB ILE A 13 1.082 5.757 -4.961 1.00 0.48 C ATOM 176 CG1 ILE A 13 1.528 4.816 -3.842 1.00 0.65 C ATOM 177 CG2 ILE A 13 -0.238 5.282 -5.558 1.00 0.54 C ATOM 178 CD1 ILE A 13 0.813 5.055 -2.530 1.00 0.58 C ATOM 0 H ILE A 13 2.869 7.445 -4.844 1.00 0.46 H new ATOM 0 HA ILE A 13 2.756 4.938 -6.055 1.00 0.44 H new ATOM 0 HB ILE A 13 0.918 6.752 -4.548 1.00 0.48 H new ATOM 0 HG12 ILE A 13 1.359 3.786 -4.156 1.00 0.65 H new ATOM 0 HG13 ILE A 13 2.601 4.931 -3.688 1.00 0.65 H new ATOM 0 HG21 ILE A 13 -0.990 5.216 -4.772 1.00 0.54 H new ATOM 0 HG22 ILE A 13 -0.569 5.989 -6.318 1.00 0.54 H new ATOM 0 HG23 ILE A 13 -0.100 4.300 -6.011 1.00 0.54 H new ATOM 0 HD11 ILE A 13 1.180 4.352 -1.782 1.00 0.58 H new ATOM 0 HD12 ILE A 13 1.002 6.074 -2.193 1.00 0.58 H new ATOM 0 HD13 ILE A 13 -0.259 4.911 -2.668 1.00 0.58 H new ATOM 190 N ARG A 14 1.558 7.318 -7.887 1.00 0.47 N ATOM 191 CA ARG A 14 0.996 7.647 -9.195 1.00 0.53 C ATOM 192 C ARG A 14 1.665 6.841 -10.308 1.00 0.51 C ATOM 193 O ARG A 14 1.200 6.837 -11.448 1.00 0.66 O ATOM 194 CB ARG A 14 1.137 9.147 -9.473 1.00 0.62 C ATOM 195 CG ARG A 14 2.574 9.598 -9.686 1.00 1.28 C ATOM 196 CD ARG A 14 2.643 11.066 -10.075 1.00 1.42 C ATOM 197 NE ARG A 14 1.898 11.342 -11.301 1.00 1.82 N ATOM 198 CZ ARG A 14 1.509 12.558 -11.672 1.00 2.23 C ATOM 199 NH1 ARG A 14 1.793 13.610 -10.914 1.00 2.63 N ATOM 200 NH2 ARG A 14 0.834 12.725 -12.801 1.00 2.82 N ATOM 0 H ARG A 14 1.934 8.118 -7.378 1.00 0.47 H new ATOM 0 HA ARG A 14 -0.062 7.385 -9.178 1.00 0.53 H new ATOM 0 HB2 ARG A 14 0.552 9.400 -10.357 1.00 0.62 H new ATOM 0 HB3 ARG A 14 0.711 9.704 -8.638 1.00 0.62 H new ATOM 0 HG2 ARG A 14 3.147 9.435 -8.773 1.00 1.28 H new ATOM 0 HG3 ARG A 14 3.036 8.991 -10.465 1.00 1.28 H new ATOM 0 HD2 ARG A 14 2.245 11.675 -9.264 1.00 1.42 H new ATOM 0 HD3 ARG A 14 3.685 11.357 -10.210 1.00 1.42 H new ATOM 0 HE ARG A 14 1.663 10.556 -11.907 1.00 1.82 H new ATOM 0 HH11 ARG A 14 2.311 13.487 -10.044 1.00 2.63 H new ATOM 0 HH12 ARG A 14 1.493 14.542 -11.201 1.00 2.63 H new ATOM 0 HH21 ARG A 14 0.612 11.920 -13.387 1.00 2.82 H new ATOM 0 HH22 ARG A 14 0.536 13.659 -13.084 1.00 2.82 H new ATOM 214 N LEU A 15 2.759 6.163 -9.971 1.00 0.43 N ATOM 215 CA LEU A 15 3.486 5.351 -10.933 1.00 0.46 C ATOM 216 C LEU A 15 3.179 3.880 -10.701 1.00 0.42 C ATOM 217 O LEU A 15 3.180 3.082 -11.638 1.00 0.44 O ATOM 218 CB LEU A 15 4.992 5.602 -10.817 1.00 0.54 C ATOM 219 CG LEU A 15 5.779 5.418 -12.115 1.00 0.64 C ATOM 220 CD1 LEU A 15 7.061 6.237 -12.083 1.00 1.44 C ATOM 221 CD2 LEU A 15 6.089 3.946 -12.345 1.00 1.51 C ATOM 0 H LEU A 15 3.160 6.162 -9.033 1.00 0.43 H new ATOM 0 HA LEU A 15 3.168 5.628 -11.938 1.00 0.46 H new ATOM 0 HB2 LEU A 15 5.149 6.618 -10.455 1.00 0.54 H new ATOM 0 HB3 LEU A 15 5.400 4.929 -10.063 1.00 0.54 H new ATOM 0 HG LEU A 15 5.166 5.774 -12.943 1.00 0.64 H new ATOM 0 HD11 LEU A 15 7.608 6.093 -13.015 1.00 1.44 H new ATOM 0 HD12 LEU A 15 6.816 7.292 -11.965 1.00 1.44 H new ATOM 0 HD13 LEU A 15 7.679 5.913 -11.246 1.00 1.44 H new ATOM 0 HD21 LEU A 15 6.649 3.833 -13.273 1.00 1.51 H new ATOM 0 HD22 LEU A 15 6.682 3.565 -11.514 1.00 1.51 H new ATOM 0 HD23 LEU A 15 5.157 3.384 -12.413 1.00 1.51 H new ATOM 233 N LEU A 16 2.916 3.533 -9.440 1.00 0.38 N ATOM 234 CA LEU A 16 2.592 2.161 -9.067 1.00 0.38 C ATOM 235 C LEU A 16 1.476 1.616 -9.956 1.00 0.36 C ATOM 236 O LEU A 16 0.311 1.977 -9.787 1.00 0.35 O ATOM 237 CB LEU A 16 2.169 2.096 -7.596 1.00 0.39 C ATOM 238 CG LEU A 16 2.769 0.938 -6.791 1.00 0.67 C ATOM 239 CD1 LEU A 16 2.366 -0.400 -7.391 1.00 0.92 C ATOM 240 CD2 LEU A 16 4.285 1.060 -6.725 1.00 0.93 C ATOM 0 H LEU A 16 2.922 4.189 -8.659 1.00 0.38 H new ATOM 0 HA LEU A 16 3.482 1.547 -9.206 1.00 0.38 H new ATOM 0 HB2 LEU A 16 2.446 3.033 -7.114 1.00 0.39 H new ATOM 0 HB3 LEU A 16 1.082 2.023 -7.551 1.00 0.39 H new ATOM 0 HG LEU A 16 2.376 0.989 -5.776 1.00 0.67 H new ATOM 0 HD11 LEU A 16 2.803 -1.208 -6.804 1.00 0.92 H new ATOM 0 HD12 LEU A 16 1.280 -0.491 -7.382 1.00 0.92 H new ATOM 0 HD13 LEU A 16 2.726 -0.462 -8.418 1.00 0.92 H new ATOM 0 HD21 LEU A 16 4.692 0.229 -6.149 1.00 0.93 H new ATOM 0 HD22 LEU A 16 4.696 1.038 -7.734 1.00 0.93 H new ATOM 0 HD23 LEU A 16 4.554 2.000 -6.244 1.00 0.93 H new ATOM 252 N PRO A 17 1.815 0.739 -10.918 1.00 0.38 N ATOM 253 CA PRO A 17 0.837 0.159 -11.846 1.00 0.40 C ATOM 254 C PRO A 17 -0.151 -0.767 -11.147 1.00 0.35 C ATOM 255 O PRO A 17 0.234 -1.593 -10.319 1.00 0.35 O ATOM 256 CB PRO A 17 1.709 -0.620 -12.844 1.00 0.46 C ATOM 257 CG PRO A 17 3.086 -0.081 -12.646 1.00 0.48 C ATOM 258 CD PRO A 17 3.169 0.235 -11.188 1.00 0.43 C ATOM 0 HA PRO A 17 0.216 0.922 -12.315 1.00 0.40 H new ATOM 0 HB2 PRO A 17 1.672 -1.692 -12.650 1.00 0.46 H new ATOM 0 HB3 PRO A 17 1.369 -0.470 -13.869 1.00 0.46 H new ATOM 0 HG2 PRO A 17 3.842 -0.811 -12.936 1.00 0.48 H new ATOM 0 HG3 PRO A 17 3.253 0.809 -13.253 1.00 0.48 H new ATOM 0 HD2 PRO A 17 3.405 -0.646 -10.591 1.00 0.43 H new ATOM 0 HD3 PRO A 17 3.934 0.981 -10.973 1.00 0.43 H new ATOM 266 N LEU A 18 -1.426 -0.617 -11.488 1.00 0.40 N ATOM 267 CA LEU A 18 -2.487 -1.426 -10.897 1.00 0.41 C ATOM 268 C LEU A 18 -2.276 -2.926 -11.143 1.00 0.36 C ATOM 269 O LEU A 18 -2.359 -3.717 -10.204 1.00 0.37 O ATOM 270 CB LEU A 18 -3.852 -0.992 -11.440 1.00 0.51 C ATOM 271 CG LEU A 18 -5.045 -1.366 -10.561 1.00 0.76 C ATOM 272 CD1 LEU A 18 -5.246 -0.334 -9.464 1.00 1.36 C ATOM 273 CD2 LEU A 18 -6.304 -1.501 -11.405 1.00 1.64 C ATOM 0 H LEU A 18 -1.752 0.062 -12.176 1.00 0.40 H new ATOM 0 HA LEU A 18 -2.456 -1.262 -9.820 1.00 0.41 H new ATOM 0 HB2 LEU A 18 -3.845 0.089 -11.576 1.00 0.51 H new ATOM 0 HB3 LEU A 18 -3.992 -1.436 -12.425 1.00 0.51 H new ATOM 0 HG LEU A 18 -4.839 -2.328 -10.091 1.00 0.76 H new ATOM 0 HD11 LEU A 18 -6.100 -0.618 -8.849 1.00 1.36 H new ATOM 0 HD12 LEU A 18 -4.352 -0.285 -8.843 1.00 1.36 H new ATOM 0 HD13 LEU A 18 -5.431 0.642 -9.912 1.00 1.36 H new ATOM 0 HD21 LEU A 18 -7.145 -1.768 -10.764 1.00 1.64 H new ATOM 0 HD22 LEU A 18 -6.512 -0.553 -11.902 1.00 1.64 H new ATOM 0 HD23 LEU A 18 -6.158 -2.279 -12.154 1.00 1.64 H new ATOM 285 N PRO A 19 -2.009 -3.349 -12.400 1.00 0.36 N ATOM 286 CA PRO A 19 -1.803 -4.768 -12.719 1.00 0.41 C ATOM 287 C PRO A 19 -0.748 -5.424 -11.832 1.00 0.39 C ATOM 288 O PRO A 19 -0.814 -6.623 -11.560 1.00 0.44 O ATOM 289 CB PRO A 19 -1.341 -4.762 -14.184 1.00 0.49 C ATOM 290 CG PRO A 19 -1.024 -3.338 -14.504 1.00 0.59 C ATOM 291 CD PRO A 19 -1.886 -2.506 -13.601 1.00 0.40 C ATOM 0 HA PRO A 19 -2.713 -5.345 -12.553 1.00 0.41 H new ATOM 0 HB2 PRO A 19 -0.466 -5.398 -14.321 1.00 0.49 H new ATOM 0 HB3 PRO A 19 -2.121 -5.147 -14.842 1.00 0.49 H new ATOM 0 HG2 PRO A 19 0.032 -3.127 -14.337 1.00 0.59 H new ATOM 0 HG3 PRO A 19 -1.231 -3.119 -15.551 1.00 0.59 H new ATOM 0 HD2 PRO A 19 -1.425 -1.545 -13.375 1.00 0.40 H new ATOM 0 HD3 PRO A 19 -2.857 -2.296 -14.049 1.00 0.40 H new ATOM 299 N VAL A 20 0.223 -4.636 -11.382 1.00 0.38 N ATOM 300 CA VAL A 20 1.285 -5.150 -10.525 1.00 0.44 C ATOM 301 C VAL A 20 0.877 -5.103 -9.055 1.00 0.42 C ATOM 302 O VAL A 20 1.136 -6.039 -8.298 1.00 0.46 O ATOM 303 CB VAL A 20 2.594 -4.356 -10.704 1.00 0.51 C ATOM 304 CG1 VAL A 20 3.751 -5.073 -10.024 1.00 0.65 C ATOM 305 CG2 VAL A 20 2.889 -4.136 -12.181 1.00 0.56 C ATOM 0 H VAL A 20 0.296 -3.641 -11.596 1.00 0.38 H new ATOM 0 HA VAL A 20 1.454 -6.185 -10.824 1.00 0.44 H new ATOM 0 HB VAL A 20 2.472 -3.381 -10.232 1.00 0.51 H new ATOM 0 HG11 VAL A 20 4.667 -4.498 -10.161 1.00 0.65 H new ATOM 0 HG12 VAL A 20 3.541 -5.173 -8.959 1.00 0.65 H new ATOM 0 HG13 VAL A 20 3.875 -6.062 -10.464 1.00 0.65 H new ATOM 0 HG21 VAL A 20 3.817 -3.574 -12.287 1.00 0.56 H new ATOM 0 HG22 VAL A 20 2.990 -5.100 -12.679 1.00 0.56 H new ATOM 0 HG23 VAL A 20 2.072 -3.576 -12.636 1.00 0.56 H new ATOM 315 N ARG A 21 0.239 -4.006 -8.661 1.00 0.42 N ATOM 316 CA ARG A 21 -0.208 -3.827 -7.283 1.00 0.46 C ATOM 317 C ARG A 21 -1.189 -4.921 -6.876 1.00 0.39 C ATOM 318 O ARG A 21 -1.193 -5.368 -5.729 1.00 0.38 O ATOM 319 CB ARG A 21 -0.867 -2.459 -7.117 1.00 0.54 C ATOM 320 CG ARG A 21 -0.697 -1.865 -5.729 1.00 1.17 C ATOM 321 CD ARG A 21 -0.832 -0.352 -5.753 1.00 0.77 C ATOM 322 NE ARG A 21 -2.110 0.073 -6.317 1.00 1.75 N ATOM 323 CZ ARG A 21 -2.307 1.256 -6.893 1.00 2.57 C ATOM 324 NH1 ARG A 21 -1.313 2.132 -6.975 1.00 2.82 N ATOM 325 NH2 ARG A 21 -3.498 1.563 -7.388 1.00 3.62 N ATOM 0 H ARG A 21 0.019 -3.225 -9.278 1.00 0.42 H new ATOM 0 HA ARG A 21 0.667 -3.890 -6.636 1.00 0.46 H new ATOM 0 HB2 ARG A 21 -0.447 -1.771 -7.851 1.00 0.54 H new ATOM 0 HB3 ARG A 21 -1.931 -2.549 -7.337 1.00 0.54 H new ATOM 0 HG2 ARG A 21 -1.444 -2.288 -5.057 1.00 1.17 H new ATOM 0 HG3 ARG A 21 0.281 -2.138 -5.332 1.00 1.17 H new ATOM 0 HD2 ARG A 21 -0.736 0.037 -4.739 1.00 0.77 H new ATOM 0 HD3 ARG A 21 -0.017 0.076 -6.337 1.00 0.77 H new ATOM 0 HE ARG A 21 -2.897 -0.574 -6.266 1.00 1.75 H new ATOM 0 HH11 ARG A 21 -0.395 1.899 -6.596 1.00 2.82 H new ATOM 0 HH12 ARG A 21 -1.467 3.038 -7.417 1.00 2.82 H new ATOM 0 HH21 ARG A 21 -4.264 0.892 -7.327 1.00 3.62 H new ATOM 0 HH22 ARG A 21 -3.648 2.470 -7.829 1.00 3.62 H new ATOM 339 N ALA A 22 -2.021 -5.341 -7.822 1.00 0.40 N ATOM 340 CA ALA A 22 -3.014 -6.378 -7.566 1.00 0.40 C ATOM 341 C ALA A 22 -2.362 -7.662 -7.066 1.00 0.35 C ATOM 342 O ALA A 22 -3.007 -8.483 -6.414 1.00 0.37 O ATOM 343 CB ALA A 22 -3.828 -6.645 -8.821 1.00 0.48 C ATOM 0 H ALA A 22 -2.028 -4.979 -8.775 1.00 0.40 H new ATOM 0 HA ALA A 22 -3.681 -6.021 -6.782 1.00 0.40 H new ATOM 0 HB1 ALA A 22 -4.566 -7.421 -8.618 1.00 0.48 H new ATOM 0 HB2 ALA A 22 -4.337 -5.731 -9.126 1.00 0.48 H new ATOM 0 HB3 ALA A 22 -3.165 -6.975 -9.621 1.00 0.48 H new ATOM 349 N GLN A 23 -1.080 -7.833 -7.377 1.00 0.36 N ATOM 350 CA GLN A 23 -0.345 -9.020 -6.954 1.00 0.39 C ATOM 351 C GLN A 23 -0.164 -9.032 -5.441 1.00 0.34 C ATOM 352 O GLN A 23 -0.156 -10.092 -4.814 1.00 0.42 O ATOM 353 CB GLN A 23 1.020 -9.075 -7.641 1.00 0.49 C ATOM 354 CG GLN A 23 1.463 -10.483 -8.003 1.00 0.96 C ATOM 355 CD GLN A 23 2.945 -10.706 -7.769 1.00 1.44 C ATOM 356 OE1 GLN A 23 3.761 -9.809 -7.981 1.00 2.14 O ATOM 357 NE2 GLN A 23 3.299 -11.908 -7.329 1.00 2.10 N ATOM 0 H GLN A 23 -0.530 -7.166 -7.919 1.00 0.36 H new ATOM 0 HA GLN A 23 -0.924 -9.897 -7.243 1.00 0.39 H new ATOM 0 HB2 GLN A 23 0.986 -8.470 -8.547 1.00 0.49 H new ATOM 0 HB3 GLN A 23 1.766 -8.626 -6.985 1.00 0.49 H new ATOM 0 HG2 GLN A 23 0.894 -11.202 -7.414 1.00 0.96 H new ATOM 0 HG3 GLN A 23 1.231 -10.675 -9.051 1.00 0.96 H new ATOM 0 HE21 GLN A 23 2.588 -12.621 -7.167 1.00 2.10 H new ATOM 0 HE22 GLN A 23 4.282 -12.118 -7.153 1.00 2.10 H new ATOM 366 N LEU A 24 -0.020 -7.845 -4.861 1.00 0.29 N ATOM 367 CA LEU A 24 0.158 -7.713 -3.420 1.00 0.30 C ATOM 368 C LEU A 24 -1.186 -7.544 -2.721 1.00 0.30 C ATOM 369 O LEU A 24 -1.345 -7.931 -1.564 1.00 0.31 O ATOM 370 CB LEU A 24 1.067 -6.522 -3.103 1.00 0.38 C ATOM 371 CG LEU A 24 1.378 -6.315 -1.620 1.00 0.43 C ATOM 372 CD1 LEU A 24 2.121 -7.515 -1.052 1.00 1.51 C ATOM 373 CD2 LEU A 24 2.190 -5.044 -1.420 1.00 1.40 C ATOM 0 H LEU A 24 -0.023 -6.960 -5.368 1.00 0.29 H new ATOM 0 HA LEU A 24 0.627 -8.625 -3.051 1.00 0.30 H new ATOM 0 HB2 LEU A 24 2.007 -6.650 -3.640 1.00 0.38 H new ATOM 0 HB3 LEU A 24 0.600 -5.616 -3.489 1.00 0.38 H new ATOM 0 HG LEU A 24 0.434 -6.213 -1.084 1.00 0.43 H new ATOM 0 HD11 LEU A 24 2.332 -7.346 0.004 1.00 1.51 H new ATOM 0 HD12 LEU A 24 1.506 -8.408 -1.161 1.00 1.51 H new ATOM 0 HD13 LEU A 24 3.058 -7.652 -1.592 1.00 1.51 H new ATOM 0 HD21 LEU A 24 2.403 -4.911 -0.359 1.00 1.40 H new ATOM 0 HD22 LEU A 24 3.127 -5.120 -1.971 1.00 1.40 H new ATOM 0 HD23 LEU A 24 1.623 -4.188 -1.786 1.00 1.40 H new ATOM 385 N CYS A 25 -2.151 -6.967 -3.430 1.00 0.34 N ATOM 386 CA CYS A 25 -3.481 -6.753 -2.874 1.00 0.39 C ATOM 387 C CYS A 25 -4.124 -8.087 -2.512 1.00 0.39 C ATOM 388 O CYS A 25 -4.796 -8.209 -1.489 1.00 0.42 O ATOM 389 CB CYS A 25 -4.360 -5.995 -3.869 1.00 0.47 C ATOM 390 SG CYS A 25 -3.875 -4.269 -4.107 1.00 0.55 S ATOM 0 H CYS A 25 -2.036 -6.640 -4.389 1.00 0.34 H new ATOM 0 HA CYS A 25 -3.385 -6.154 -1.969 1.00 0.39 H new ATOM 0 HB2 CYS A 25 -4.328 -6.507 -4.831 1.00 0.47 H new ATOM 0 HB3 CYS A 25 -5.394 -6.028 -3.524 1.00 0.47 H new ATOM 0 HG CYS A 25 -4.341 -3.840 -5.242 1.00 0.55 H new ATOM 396 N ALA A 26 -3.910 -9.087 -3.362 1.00 0.40 N ATOM 397 CA ALA A 26 -4.451 -10.419 -3.131 1.00 0.45 C ATOM 398 C ALA A 26 -3.910 -11.001 -1.831 1.00 0.42 C ATOM 399 O ALA A 26 -4.657 -11.550 -1.022 1.00 0.46 O ATOM 400 CB ALA A 26 -4.108 -11.331 -4.296 1.00 0.52 C ATOM 0 H ALA A 26 -3.364 -8.998 -4.219 1.00 0.40 H new ATOM 0 HA ALA A 26 -5.535 -10.342 -3.048 1.00 0.45 H new ATOM 0 HB1 ALA A 26 -4.517 -12.325 -4.113 1.00 0.52 H new ATOM 0 HB2 ALA A 26 -4.535 -10.926 -5.213 1.00 0.52 H new ATOM 0 HB3 ALA A 26 -3.025 -11.398 -4.399 1.00 0.52 H new ATOM 406 N HIS A 27 -2.600 -10.876 -1.646 1.00 0.37 N ATOM 407 CA HIS A 27 -1.935 -11.380 -0.451 1.00 0.37 C ATOM 408 C HIS A 27 -2.485 -10.707 0.802 1.00 0.38 C ATOM 409 O HIS A 27 -2.827 -11.370 1.781 1.00 0.44 O ATOM 410 CB HIS A 27 -0.430 -11.129 -0.554 1.00 0.37 C ATOM 411 CG HIS A 27 0.334 -11.514 0.676 1.00 0.42 C ATOM 412 ND1 HIS A 27 0.695 -10.788 1.762 1.00 0.62 N flip ATOM 413 CD2 HIS A 27 0.823 -12.786 0.890 1.00 0.55 C flip ATOM 414 CE1 HIS A 27 1.387 -11.625 2.601 1.00 0.72 C flip ATOM 415 NE2 HIS A 27 1.450 -12.825 2.054 1.00 0.68 N flip ATOM 0 H HIS A 27 -1.974 -10.426 -2.314 1.00 0.37 H new ATOM 0 HA HIS A 27 -2.123 -12.451 -0.377 1.00 0.37 H new ATOM 0 HB2 HIS A 27 -0.036 -11.686 -1.404 1.00 0.37 H new ATOM 0 HB3 HIS A 27 -0.261 -10.072 -0.759 1.00 0.37 H new ATOM 0 HD2 HIS A 27 0.711 -13.620 0.213 1.00 0.55 H new ATOM 0 HE1 HIS A 27 1.811 -11.347 3.554 1.00 0.72 H new ATOM 0 HE2 HIS A 27 1.905 -13.643 2.460 1.00 0.68 H new ATOM 424 N LEU A 28 -2.560 -9.383 0.759 1.00 0.37 N ATOM 425 CA LEU A 28 -3.055 -8.596 1.881 1.00 0.45 C ATOM 426 C LEU A 28 -4.479 -8.994 2.255 1.00 0.49 C ATOM 427 O LEU A 28 -4.792 -9.179 3.432 1.00 0.51 O ATOM 428 CB LEU A 28 -3.006 -7.106 1.530 1.00 0.51 C ATOM 429 CG LEU A 28 -1.695 -6.394 1.876 1.00 0.56 C ATOM 430 CD1 LEU A 28 -1.540 -6.263 3.383 1.00 1.09 C ATOM 431 CD2 LEU A 28 -0.501 -7.127 1.277 1.00 0.99 C ATOM 0 H LEU A 28 -2.281 -8.827 -0.050 1.00 0.37 H new ATOM 0 HA LEU A 28 -2.414 -8.792 2.741 1.00 0.45 H new ATOM 0 HB2 LEU A 28 -3.189 -6.995 0.461 1.00 0.51 H new ATOM 0 HB3 LEU A 28 -3.822 -6.601 2.047 1.00 0.51 H new ATOM 0 HG LEU A 28 -1.729 -5.394 1.443 1.00 0.56 H new ATOM 0 HD11 LEU A 28 -0.603 -5.755 3.610 1.00 1.09 H new ATOM 0 HD12 LEU A 28 -2.372 -5.686 3.786 1.00 1.09 H new ATOM 0 HD13 LEU A 28 -1.534 -7.255 3.836 1.00 1.09 H new ATOM 0 HD21 LEU A 28 0.417 -6.601 1.538 1.00 0.99 H new ATOM 0 HD22 LEU A 28 -0.462 -8.142 1.672 1.00 0.99 H new ATOM 0 HD23 LEU A 28 -0.603 -7.163 0.192 1.00 0.99 H new ATOM 443 N ASP A 29 -5.336 -9.126 1.248 1.00 0.60 N ATOM 444 CA ASP A 29 -6.728 -9.495 1.473 1.00 0.69 C ATOM 445 C ASP A 29 -6.853 -10.966 1.853 1.00 0.57 C ATOM 446 O ASP A 29 -7.863 -11.385 2.419 1.00 0.55 O ATOM 447 CB ASP A 29 -7.559 -9.210 0.221 1.00 0.94 C ATOM 448 CG ASP A 29 -9.049 -9.334 0.475 1.00 0.97 C ATOM 449 OD1 ASP A 29 -9.570 -10.467 0.411 1.00 1.12 O ATOM 450 OD2 ASP A 29 -9.694 -8.298 0.738 1.00 1.20 O ATOM 0 H ASP A 29 -5.091 -8.983 0.268 1.00 0.60 H new ATOM 0 HA ASP A 29 -7.105 -8.894 2.301 1.00 0.69 H new ATOM 0 HB2 ASP A 29 -7.337 -8.205 -0.138 1.00 0.94 H new ATOM 0 HB3 ASP A 29 -7.269 -9.902 -0.569 1.00 0.94 H new ATOM 455 N ALA A 30 -5.823 -11.747 1.540 1.00 0.56 N ATOM 456 CA ALA A 30 -5.825 -13.171 1.852 1.00 0.58 C ATOM 457 C ALA A 30 -5.789 -13.394 3.358 1.00 0.46 C ATOM 458 O ALA A 30 -6.379 -14.346 3.871 1.00 0.54 O ATOM 459 CB ALA A 30 -4.645 -13.862 1.182 1.00 0.68 C ATOM 0 H ALA A 30 -4.979 -11.418 1.072 1.00 0.56 H new ATOM 0 HA ALA A 30 -6.747 -13.605 1.466 1.00 0.58 H new ATOM 0 HB1 ALA A 30 -4.660 -14.925 1.424 1.00 0.68 H new ATOM 0 HB2 ALA A 30 -4.715 -13.735 0.102 1.00 0.68 H new ATOM 0 HB3 ALA A 30 -3.714 -13.422 1.540 1.00 0.68 H new ATOM 465 N LEU A 31 -5.088 -12.511 4.062 1.00 0.37 N ATOM 466 CA LEU A 31 -4.976 -12.603 5.513 1.00 0.40 C ATOM 467 C LEU A 31 -6.285 -12.204 6.186 1.00 0.40 C ATOM 468 O LEU A 31 -6.412 -12.276 7.409 1.00 0.45 O ATOM 469 CB LEU A 31 -3.842 -11.709 6.015 1.00 0.45 C ATOM 470 CG LEU A 31 -2.593 -12.456 6.477 1.00 0.64 C ATOM 471 CD1 LEU A 31 -1.346 -11.646 6.166 1.00 1.10 C ATOM 472 CD2 LEU A 31 -2.675 -12.764 7.965 1.00 1.16 C ATOM 0 H LEU A 31 -4.588 -11.723 3.650 1.00 0.37 H new ATOM 0 HA LEU A 31 -4.756 -13.639 5.770 1.00 0.40 H new ATOM 0 HB2 LEU A 31 -3.562 -11.020 5.218 1.00 0.45 H new ATOM 0 HB3 LEU A 31 -4.214 -11.105 6.843 1.00 0.45 H new ATOM 0 HG LEU A 31 -2.534 -13.400 5.935 1.00 0.64 H new ATOM 0 HD11 LEU A 31 -0.464 -12.192 6.501 1.00 1.10 H new ATOM 0 HD12 LEU A 31 -1.281 -11.477 5.091 1.00 1.10 H new ATOM 0 HD13 LEU A 31 -1.397 -10.687 6.682 1.00 1.10 H new ATOM 0 HD21 LEU A 31 -1.776 -13.297 8.276 1.00 1.16 H new ATOM 0 HD22 LEU A 31 -2.757 -11.833 8.525 1.00 1.16 H new ATOM 0 HD23 LEU A 31 -3.550 -13.384 8.161 1.00 1.16 H new ATOM 484 N ASP A 32 -7.255 -11.781 5.377 1.00 0.40 N ATOM 485 CA ASP A 32 -8.556 -11.365 5.888 1.00 0.46 C ATOM 486 C ASP A 32 -8.399 -10.253 6.920 1.00 0.46 C ATOM 487 O ASP A 32 -8.938 -10.332 8.025 1.00 0.57 O ATOM 488 CB ASP A 32 -9.292 -12.557 6.506 1.00 0.52 C ATOM 489 CG ASP A 32 -9.914 -13.457 5.459 1.00 1.20 C ATOM 490 OD1 ASP A 32 -10.645 -12.939 4.589 1.00 2.03 O ATOM 491 OD2 ASP A 32 -9.672 -14.681 5.508 1.00 1.57 O ATOM 0 H ASP A 32 -7.162 -11.718 4.363 1.00 0.40 H new ATOM 0 HA ASP A 32 -9.144 -10.982 5.054 1.00 0.46 H new ATOM 0 HB2 ASP A 32 -8.595 -13.136 7.112 1.00 0.52 H new ATOM 0 HB3 ASP A 32 -10.070 -12.192 7.176 1.00 0.52 H new ATOM 496 N VAL A 33 -7.656 -9.215 6.548 1.00 0.42 N ATOM 497 CA VAL A 33 -7.419 -8.087 7.438 1.00 0.43 C ATOM 498 C VAL A 33 -7.551 -6.758 6.699 1.00 0.42 C ATOM 499 O VAL A 33 -6.880 -5.785 7.035 1.00 0.52 O ATOM 500 CB VAL A 33 -6.018 -8.166 8.077 1.00 0.48 C ATOM 501 CG1 VAL A 33 -5.989 -9.225 9.170 1.00 0.54 C ATOM 502 CG2 VAL A 33 -4.963 -8.451 7.019 1.00 0.50 C ATOM 0 H VAL A 33 -7.208 -9.133 5.635 1.00 0.42 H new ATOM 0 HA VAL A 33 -8.176 -8.139 8.220 1.00 0.43 H new ATOM 0 HB VAL A 33 -5.791 -7.202 8.531 1.00 0.48 H new ATOM 0 HG11 VAL A 33 -4.993 -9.267 9.610 1.00 0.54 H new ATOM 0 HG12 VAL A 33 -6.716 -8.971 9.942 1.00 0.54 H new ATOM 0 HG13 VAL A 33 -6.238 -10.196 8.742 1.00 0.54 H new ATOM 0 HG21 VAL A 33 -3.981 -8.503 7.489 1.00 0.50 H new ATOM 0 HG22 VAL A 33 -5.183 -9.401 6.532 1.00 0.50 H new ATOM 0 HG23 VAL A 33 -4.968 -7.653 6.276 1.00 0.50 H new ATOM 512 N TRP A 34 -8.419 -6.721 5.692 1.00 0.39 N ATOM 513 CA TRP A 34 -8.626 -5.504 4.915 1.00 0.38 C ATOM 514 C TRP A 34 -9.060 -4.353 5.818 1.00 0.33 C ATOM 515 O TRP A 34 -8.755 -3.190 5.550 1.00 0.34 O ATOM 516 CB TRP A 34 -9.665 -5.737 3.813 1.00 0.40 C ATOM 517 CG TRP A 34 -11.063 -5.917 4.324 1.00 0.39 C ATOM 518 CD1 TRP A 34 -11.656 -7.089 4.696 1.00 0.47 C ATOM 519 CD2 TRP A 34 -12.047 -4.892 4.511 1.00 0.37 C ATOM 520 NE1 TRP A 34 -12.949 -6.855 5.102 1.00 0.50 N ATOM 521 CE2 TRP A 34 -13.211 -5.514 4.999 1.00 0.44 C ATOM 522 CE3 TRP A 34 -12.056 -3.508 4.313 1.00 0.38 C ATOM 523 CZ2 TRP A 34 -14.371 -4.801 5.290 1.00 0.50 C ATOM 524 CZ3 TRP A 34 -13.206 -2.801 4.604 1.00 0.45 C ATOM 525 CH2 TRP A 34 -14.351 -3.448 5.089 1.00 0.50 C ATOM 0 H TRP A 34 -8.987 -7.515 5.396 1.00 0.39 H new ATOM 0 HA TRP A 34 -7.679 -5.236 4.447 1.00 0.38 H new ATOM 0 HB2 TRP A 34 -9.646 -4.892 3.125 1.00 0.40 H new ATOM 0 HB3 TRP A 34 -9.381 -6.620 3.241 1.00 0.40 H new ATOM 0 HD1 TRP A 34 -11.180 -8.058 4.675 1.00 0.47 H new ATOM 0 HE1 TRP A 34 -13.606 -7.564 5.427 1.00 0.50 H new ATOM 0 HE3 TRP A 34 -11.179 -3.001 3.939 1.00 0.38 H new ATOM 0 HZ2 TRP A 34 -15.255 -5.298 5.661 1.00 0.50 H new ATOM 0 HZ3 TRP A 34 -13.223 -1.731 4.455 1.00 0.45 H new ATOM 0 HH2 TRP A 34 -15.235 -2.867 5.308 1.00 0.50 H new ATOM 536 N GLN A 35 -9.774 -4.685 6.889 1.00 0.32 N ATOM 537 CA GLN A 35 -10.247 -3.684 7.838 1.00 0.33 C ATOM 538 C GLN A 35 -9.075 -2.995 8.532 1.00 0.32 C ATOM 539 O GLN A 35 -9.172 -1.835 8.934 1.00 0.35 O ATOM 540 CB GLN A 35 -11.163 -4.332 8.879 1.00 0.38 C ATOM 541 CG GLN A 35 -12.220 -3.390 9.430 1.00 1.12 C ATOM 542 CD GLN A 35 -12.153 -3.259 10.940 1.00 1.61 C ATOM 543 OE1 GLN A 35 -11.405 -2.437 11.470 1.00 2.15 O ATOM 544 NE2 GLN A 35 -12.937 -4.070 11.640 1.00 2.32 N ATOM 0 H GLN A 35 -10.038 -5.642 7.122 1.00 0.32 H new ATOM 0 HA GLN A 35 -10.811 -2.932 7.285 1.00 0.33 H new ATOM 0 HB2 GLN A 35 -11.656 -5.195 8.430 1.00 0.38 H new ATOM 0 HB3 GLN A 35 -10.555 -4.705 9.703 1.00 0.38 H new ATOM 0 HG2 GLN A 35 -12.096 -2.406 8.978 1.00 1.12 H new ATOM 0 HG3 GLN A 35 -13.208 -3.751 9.144 1.00 1.12 H new ATOM 0 HE21 GLN A 35 -13.541 -4.736 11.159 1.00 2.32 H new ATOM 0 HE22 GLN A 35 -12.935 -4.027 12.659 1.00 2.32 H new ATOM 553 N GLN A 36 -7.968 -3.719 8.666 1.00 0.33 N ATOM 554 CA GLN A 36 -6.771 -3.188 9.313 1.00 0.38 C ATOM 555 C GLN A 36 -6.089 -2.150 8.429 1.00 0.37 C ATOM 556 O GLN A 36 -5.649 -1.111 8.916 1.00 0.46 O ATOM 557 CB GLN A 36 -5.807 -4.336 9.656 1.00 0.45 C ATOM 558 CG GLN A 36 -4.328 -3.990 9.520 1.00 1.54 C ATOM 559 CD GLN A 36 -3.691 -4.613 8.289 1.00 2.38 C ATOM 560 OE1 GLN A 36 -4.474 -4.764 7.226 1.00 3.29 O flip ATOM 561 NE2 GLN A 36 -2.507 -4.951 8.295 1.00 2.41 N flip ATOM 0 H GLN A 36 -7.874 -4.679 8.334 1.00 0.33 H new ATOM 0 HA GLN A 36 -7.066 -2.692 10.238 1.00 0.38 H new ATOM 0 HB2 GLN A 36 -5.998 -4.659 10.680 1.00 0.45 H new ATOM 0 HB3 GLN A 36 -6.029 -5.184 9.008 1.00 0.45 H new ATOM 0 HG2 GLN A 36 -4.215 -2.907 9.474 1.00 1.54 H new ATOM 0 HG3 GLN A 36 -3.797 -4.328 10.410 1.00 1.54 H new ATOM 0 HE21 GLN A 36 -1.942 -4.816 9.134 1.00 2.41 H new ATOM 0 HE22 GLN A 36 -2.091 -5.365 7.461 1.00 2.41 H new ATOM 570 N LEU A 37 -6.000 -2.435 7.136 1.00 0.37 N ATOM 571 CA LEU A 37 -5.369 -1.513 6.199 1.00 0.40 C ATOM 572 C LEU A 37 -6.066 -0.157 6.229 1.00 0.38 C ATOM 573 O LEU A 37 -5.436 0.873 6.472 1.00 0.42 O ATOM 574 CB LEU A 37 -5.395 -2.088 4.783 1.00 0.43 C ATOM 575 CG LEU A 37 -4.230 -3.021 4.443 1.00 0.46 C ATOM 576 CD1 LEU A 37 -4.702 -4.165 3.558 1.00 0.49 C ATOM 577 CD2 LEU A 37 -3.109 -2.248 3.765 1.00 0.65 C ATOM 0 H LEU A 37 -6.355 -3.293 6.713 1.00 0.37 H new ATOM 0 HA LEU A 37 -4.331 -1.376 6.501 1.00 0.40 H new ATOM 0 HB2 LEU A 37 -6.329 -2.632 4.645 1.00 0.43 H new ATOM 0 HB3 LEU A 37 -5.399 -1.262 4.072 1.00 0.43 H new ATOM 0 HG LEU A 37 -3.845 -3.443 5.371 1.00 0.46 H new ATOM 0 HD11 LEU A 37 -3.860 -4.817 3.327 1.00 0.49 H new ATOM 0 HD12 LEU A 37 -5.471 -4.735 4.080 1.00 0.49 H new ATOM 0 HD13 LEU A 37 -5.114 -3.763 2.632 1.00 0.49 H new ATOM 0 HD21 LEU A 37 -2.289 -2.927 3.530 1.00 0.65 H new ATOM 0 HD22 LEU A 37 -3.482 -1.798 2.845 1.00 0.65 H new ATOM 0 HD23 LEU A 37 -2.751 -1.465 4.433 1.00 0.65 H new ATOM 589 N ALA A 38 -7.371 -0.168 5.971 1.00 0.36 N ATOM 590 CA ALA A 38 -8.170 1.054 5.973 1.00 0.37 C ATOM 591 C ALA A 38 -7.975 1.851 7.261 1.00 0.36 C ATOM 592 O ALA A 38 -7.572 3.013 7.229 1.00 0.41 O ATOM 593 CB ALA A 38 -9.640 0.720 5.778 1.00 0.39 C ATOM 0 H ALA A 38 -7.900 -1.014 5.757 1.00 0.36 H new ATOM 0 HA ALA A 38 -7.831 1.675 5.144 1.00 0.37 H new ATOM 0 HB1 ALA A 38 -10.226 1.639 5.781 1.00 0.39 H new ATOM 0 HB2 ALA A 38 -9.774 0.208 4.825 1.00 0.39 H new ATOM 0 HB3 ALA A 38 -9.977 0.073 6.588 1.00 0.39 H new ATOM 599 N THR A 39 -8.270 1.215 8.394 1.00 0.33 N ATOM 600 CA THR A 39 -8.141 1.862 9.696 1.00 0.36 C ATOM 601 C THR A 39 -6.710 2.319 9.960 1.00 0.37 C ATOM 602 O THR A 39 -6.487 3.318 10.644 1.00 0.40 O ATOM 603 CB THR A 39 -8.581 0.924 10.834 1.00 0.39 C ATOM 604 OG1 THR A 39 -9.815 0.282 10.492 1.00 0.36 O ATOM 605 CG2 THR A 39 -8.751 1.695 12.134 1.00 0.51 C ATOM 0 H THR A 39 -8.600 0.251 8.435 1.00 0.33 H new ATOM 0 HA THR A 39 -8.794 2.734 9.672 1.00 0.36 H new ATOM 0 HB THR A 39 -7.806 0.170 10.973 1.00 0.39 H new ATOM 0 HG1 THR A 39 -9.636 -0.476 9.897 1.00 0.36 H new ATOM 0 HG21 THR A 39 -9.062 1.012 12.924 1.00 0.51 H new ATOM 0 HG22 THR A 39 -7.804 2.159 12.408 1.00 0.51 H new ATOM 0 HG23 THR A 39 -9.509 2.467 12.003 1.00 0.51 H new ATOM 613 N ALA A 40 -5.743 1.581 9.422 1.00 0.38 N ATOM 614 CA ALA A 40 -4.334 1.920 9.606 1.00 0.43 C ATOM 615 C ALA A 40 -4.040 3.347 9.154 1.00 0.42 C ATOM 616 O ALA A 40 -3.232 4.045 9.768 1.00 0.47 O ATOM 617 CB ALA A 40 -3.449 0.938 8.853 1.00 0.47 C ATOM 0 H ALA A 40 -5.907 0.748 8.857 1.00 0.38 H new ATOM 0 HA ALA A 40 -4.113 1.853 10.671 1.00 0.43 H new ATOM 0 HB1 ALA A 40 -2.402 1.205 9.000 1.00 0.47 H new ATOM 0 HB2 ALA A 40 -3.623 -0.070 9.228 1.00 0.47 H new ATOM 0 HB3 ALA A 40 -3.687 0.975 7.790 1.00 0.47 H new ATOM 623 N VAL A 41 -4.696 3.777 8.081 1.00 0.38 N ATOM 624 CA VAL A 41 -4.498 5.124 7.555 1.00 0.40 C ATOM 625 C VAL A 41 -5.684 6.024 7.882 1.00 0.41 C ATOM 626 O VAL A 41 -5.782 7.142 7.376 1.00 0.47 O ATOM 627 CB VAL A 41 -4.276 5.111 6.029 1.00 0.42 C ATOM 628 CG1 VAL A 41 -2.981 4.392 5.684 1.00 0.50 C ATOM 629 CG2 VAL A 41 -5.458 4.468 5.318 1.00 0.45 C ATOM 0 H VAL A 41 -5.368 3.214 7.559 1.00 0.38 H new ATOM 0 HA VAL A 41 -3.604 5.520 8.037 1.00 0.40 H new ATOM 0 HB VAL A 41 -4.196 6.142 5.685 1.00 0.42 H new ATOM 0 HG11 VAL A 41 -2.841 4.393 4.603 1.00 0.50 H new ATOM 0 HG12 VAL A 41 -2.143 4.903 6.159 1.00 0.50 H new ATOM 0 HG13 VAL A 41 -3.029 3.364 6.043 1.00 0.50 H new ATOM 0 HG21 VAL A 41 -5.280 4.469 4.243 1.00 0.45 H new ATOM 0 HG22 VAL A 41 -5.577 3.442 5.665 1.00 0.45 H new ATOM 0 HG23 VAL A 41 -6.365 5.032 5.537 1.00 0.45 H new ATOM 639 N LYS A 42 -6.580 5.529 8.733 1.00 0.38 N ATOM 640 CA LYS A 42 -7.764 6.283 9.136 1.00 0.41 C ATOM 641 C LYS A 42 -8.596 6.689 7.923 1.00 0.43 C ATOM 642 O LYS A 42 -8.324 7.704 7.281 1.00 0.53 O ATOM 643 CB LYS A 42 -7.359 7.525 9.934 1.00 0.51 C ATOM 644 CG LYS A 42 -8.499 8.135 10.736 1.00 0.77 C ATOM 645 CD LYS A 42 -8.856 7.279 11.941 1.00 1.05 C ATOM 646 CE LYS A 42 -10.171 6.545 11.730 1.00 1.32 C ATOM 647 NZ LYS A 42 -10.339 5.417 12.689 1.00 2.14 N ATOM 0 H LYS A 42 -6.507 4.605 9.158 1.00 0.38 H new ATOM 0 HA LYS A 42 -8.374 5.638 9.768 1.00 0.41 H new ATOM 0 HB2 LYS A 42 -6.549 7.261 10.614 1.00 0.51 H new ATOM 0 HB3 LYS A 42 -6.967 8.275 9.247 1.00 0.51 H new ATOM 0 HG2 LYS A 42 -8.217 9.134 11.069 1.00 0.77 H new ATOM 0 HG3 LYS A 42 -9.375 8.248 10.097 1.00 0.77 H new ATOM 0 HD2 LYS A 42 -8.060 6.557 12.125 1.00 1.05 H new ATOM 0 HD3 LYS A 42 -8.927 7.908 12.828 1.00 1.05 H new ATOM 0 HE2 LYS A 42 -10.999 7.244 11.844 1.00 1.32 H new ATOM 0 HE3 LYS A 42 -10.214 6.163 10.710 1.00 1.32 H new ATOM 0 HZ1 LYS A 42 -11.248 4.943 12.512 1.00 2.14 H new ATOM 0 HZ2 LYS A 42 -9.563 4.736 12.564 1.00 2.14 H new ATOM 0 HZ3 LYS A 42 -10.324 5.784 13.662 1.00 2.14 H new ATOM 661 N LEU A 43 -9.613 5.890 7.617 1.00 0.41 N ATOM 662 CA LEU A 43 -10.483 6.162 6.478 1.00 0.49 C ATOM 663 C LEU A 43 -11.909 6.453 6.934 1.00 0.49 C ATOM 664 O LEU A 43 -12.377 5.906 7.934 1.00 0.52 O ATOM 665 CB LEU A 43 -10.480 4.975 5.513 1.00 0.56 C ATOM 666 CG LEU A 43 -9.489 5.082 4.352 1.00 0.63 C ATOM 667 CD1 LEU A 43 -9.411 3.764 3.598 1.00 0.78 C ATOM 668 CD2 LEU A 43 -9.886 6.211 3.413 1.00 1.03 C ATOM 0 H LEU A 43 -9.855 5.049 8.141 1.00 0.41 H new ATOM 0 HA LEU A 43 -10.098 7.044 5.965 1.00 0.49 H new ATOM 0 HB2 LEU A 43 -10.258 4.069 6.077 1.00 0.56 H new ATOM 0 HB3 LEU A 43 -11.483 4.857 5.104 1.00 0.56 H new ATOM 0 HG LEU A 43 -8.503 5.306 4.760 1.00 0.63 H new ATOM 0 HD11 LEU A 43 -8.702 3.857 2.775 1.00 0.78 H new ATOM 0 HD12 LEU A 43 -9.080 2.976 4.275 1.00 0.78 H new ATOM 0 HD13 LEU A 43 -10.395 3.512 3.202 1.00 0.78 H new ATOM 0 HD21 LEU A 43 -9.170 6.272 2.594 1.00 1.03 H new ATOM 0 HD22 LEU A 43 -10.881 6.018 3.012 1.00 1.03 H new ATOM 0 HD23 LEU A 43 -9.892 7.154 3.960 1.00 1.03 H new ATOM 680 N TYR A 44 -12.593 7.318 6.194 1.00 0.50 N ATOM 681 CA TYR A 44 -13.969 7.684 6.511 1.00 0.53 C ATOM 682 C TYR A 44 -14.912 6.509 6.253 1.00 0.48 C ATOM 683 O TYR A 44 -14.568 5.585 5.516 1.00 0.48 O ATOM 684 CB TYR A 44 -14.396 8.894 5.677 1.00 0.60 C ATOM 685 CG TYR A 44 -13.617 10.151 5.992 1.00 0.74 C ATOM 686 CD1 TYR A 44 -12.398 10.407 5.379 1.00 0.91 C ATOM 687 CD2 TYR A 44 -14.102 11.082 6.902 1.00 0.94 C ATOM 688 CE1 TYR A 44 -11.683 11.555 5.663 1.00 1.10 C ATOM 689 CE2 TYR A 44 -13.394 12.233 7.191 1.00 1.14 C ATOM 690 CZ TYR A 44 -12.186 12.465 6.569 1.00 1.16 C ATOM 691 OH TYR A 44 -11.477 13.609 6.856 1.00 1.41 O ATOM 0 H TYR A 44 -12.216 7.781 5.367 1.00 0.50 H new ATOM 0 HA TYR A 44 -14.023 7.944 7.568 1.00 0.53 H new ATOM 0 HB2 TYR A 44 -14.275 8.657 4.620 1.00 0.60 H new ATOM 0 HB3 TYR A 44 -15.457 9.083 5.842 1.00 0.60 H new ATOM 0 HD1 TYR A 44 -12.002 9.697 4.668 1.00 0.91 H new ATOM 0 HD2 TYR A 44 -15.048 10.903 7.392 1.00 0.94 H new ATOM 0 HE1 TYR A 44 -10.736 11.739 5.178 1.00 1.10 H new ATOM 0 HE2 TYR A 44 -13.785 12.947 7.901 1.00 1.14 H new ATOM 0 HH TYR A 44 -11.970 14.144 7.513 1.00 1.41 H new ATOM 701 N PRO A 45 -16.118 6.524 6.855 1.00 0.62 N ATOM 702 CA PRO A 45 -17.103 5.449 6.678 1.00 0.65 C ATOM 703 C PRO A 45 -17.530 5.303 5.224 1.00 0.65 C ATOM 704 O PRO A 45 -17.737 4.193 4.736 1.00 0.70 O ATOM 705 CB PRO A 45 -18.288 5.897 7.540 1.00 0.86 C ATOM 706 CG PRO A 45 -18.112 7.368 7.680 1.00 1.32 C ATOM 707 CD PRO A 45 -16.631 7.585 7.742 1.00 0.87 C ATOM 0 HA PRO A 45 -16.702 4.476 6.963 1.00 0.65 H new ATOM 0 HB2 PRO A 45 -19.239 5.654 7.065 1.00 0.86 H new ATOM 0 HB3 PRO A 45 -18.282 5.402 8.511 1.00 0.86 H new ATOM 0 HG2 PRO A 45 -18.552 7.899 6.836 1.00 1.32 H new ATOM 0 HG3 PRO A 45 -18.602 7.739 8.580 1.00 1.32 H new ATOM 0 HD2 PRO A 45 -16.351 8.578 7.391 1.00 0.87 H new ATOM 0 HD3 PRO A 45 -16.248 7.486 8.758 1.00 0.87 H new ATOM 715 N ASP A 46 -17.662 6.434 4.536 1.00 0.67 N ATOM 716 CA ASP A 46 -18.055 6.433 3.133 1.00 0.74 C ATOM 717 C ASP A 46 -17.008 5.710 2.294 1.00 0.69 C ATOM 718 O ASP A 46 -17.317 5.148 1.243 1.00 0.76 O ATOM 719 CB ASP A 46 -18.235 7.866 2.629 1.00 0.89 C ATOM 720 CG ASP A 46 -19.694 8.246 2.476 1.00 1.26 C ATOM 721 OD1 ASP A 46 -20.381 8.393 3.508 1.00 1.77 O ATOM 722 OD2 ASP A 46 -20.150 8.395 1.322 1.00 2.01 O ATOM 0 H ASP A 46 -17.502 7.362 4.929 1.00 0.67 H new ATOM 0 HA ASP A 46 -19.006 5.908 3.039 1.00 0.74 H new ATOM 0 HB2 ASP A 46 -17.754 8.555 3.323 1.00 0.89 H new ATOM 0 HB3 ASP A 46 -17.731 7.976 1.669 1.00 0.89 H new ATOM 727 N GLN A 47 -15.767 5.733 2.769 1.00 0.63 N ATOM 728 CA GLN A 47 -14.667 5.077 2.075 1.00 0.68 C ATOM 729 C GLN A 47 -14.689 3.575 2.335 1.00 0.61 C ATOM 730 O GLN A 47 -14.480 2.774 1.423 1.00 0.65 O ATOM 731 CB GLN A 47 -13.329 5.665 2.525 1.00 0.75 C ATOM 732 CG GLN A 47 -13.228 7.168 2.328 1.00 0.78 C ATOM 733 CD GLN A 47 -12.506 7.540 1.048 1.00 1.21 C ATOM 734 OE1 GLN A 47 -12.892 7.116 -0.042 1.00 1.94 O ATOM 735 NE2 GLN A 47 -11.452 8.337 1.173 1.00 1.56 N ATOM 0 H GLN A 47 -15.498 6.201 3.635 1.00 0.63 H new ATOM 0 HA GLN A 47 -14.787 5.248 1.005 1.00 0.68 H new ATOM 0 HB2 GLN A 47 -13.176 5.434 3.579 1.00 0.75 H new ATOM 0 HB3 GLN A 47 -12.524 5.180 1.973 1.00 0.75 H new ATOM 0 HG2 GLN A 47 -14.230 7.597 2.314 1.00 0.78 H new ATOM 0 HG3 GLN A 47 -12.705 7.608 3.177 1.00 0.78 H new ATOM 0 HE21 GLN A 47 -11.167 8.665 2.096 1.00 1.56 H new ATOM 0 HE22 GLN A 47 -10.927 8.622 0.346 1.00 1.56 H new ATOM 744 N VAL A 48 -14.946 3.201 3.585 1.00 0.57 N ATOM 745 CA VAL A 48 -15.001 1.795 3.966 1.00 0.57 C ATOM 746 C VAL A 48 -16.138 1.083 3.245 1.00 0.55 C ATOM 747 O VAL A 48 -15.947 0.015 2.665 1.00 0.51 O ATOM 748 CB VAL A 48 -15.183 1.627 5.487 1.00 0.61 C ATOM 749 CG1 VAL A 48 -14.998 0.172 5.891 1.00 0.88 C ATOM 750 CG2 VAL A 48 -14.215 2.523 6.246 1.00 0.75 C ATOM 0 H VAL A 48 -15.119 3.852 4.350 1.00 0.57 H new ATOM 0 HA VAL A 48 -14.050 1.349 3.676 1.00 0.57 H new ATOM 0 HB VAL A 48 -16.199 1.927 5.745 1.00 0.61 H new ATOM 0 HG11 VAL A 48 -15.130 0.074 6.968 1.00 0.88 H new ATOM 0 HG12 VAL A 48 -15.735 -0.445 5.377 1.00 0.88 H new ATOM 0 HG13 VAL A 48 -13.996 -0.157 5.617 1.00 0.88 H new ATOM 0 HG21 VAL A 48 -14.360 2.389 7.318 1.00 0.75 H new ATOM 0 HG22 VAL A 48 -13.191 2.258 5.982 1.00 0.75 H new ATOM 0 HG23 VAL A 48 -14.400 3.564 5.982 1.00 0.75 H new ATOM 760 N GLU A 49 -17.326 1.682 3.288 1.00 0.60 N ATOM 761 CA GLU A 49 -18.494 1.113 2.629 1.00 0.63 C ATOM 762 C GLU A 49 -18.257 1.001 1.128 1.00 0.57 C ATOM 763 O GLU A 49 -18.678 0.035 0.491 1.00 0.57 O ATOM 764 CB GLU A 49 -19.731 1.971 2.901 1.00 0.73 C ATOM 765 CG GLU A 49 -20.516 1.536 4.127 1.00 0.87 C ATOM 766 CD GLU A 49 -21.005 2.708 4.954 1.00 1.55 C ATOM 767 OE1 GLU A 49 -21.810 3.508 4.432 1.00 1.73 O ATOM 768 OE2 GLU A 49 -20.585 2.827 6.124 1.00 2.44 O ATOM 0 H GLU A 49 -17.503 2.562 3.773 1.00 0.60 H new ATOM 0 HA GLU A 49 -18.663 0.115 3.033 1.00 0.63 H new ATOM 0 HB2 GLU A 49 -19.422 3.009 3.027 1.00 0.73 H new ATOM 0 HB3 GLU A 49 -20.385 1.937 2.030 1.00 0.73 H new ATOM 0 HG2 GLU A 49 -21.370 0.937 3.813 1.00 0.87 H new ATOM 0 HG3 GLU A 49 -19.888 0.896 4.747 1.00 0.87 H new ATOM 775 N GLN A 50 -17.580 2.002 0.570 1.00 0.56 N ATOM 776 CA GLN A 50 -17.276 2.021 -0.857 1.00 0.55 C ATOM 777 C GLN A 50 -16.447 0.801 -1.255 1.00 0.48 C ATOM 778 O GLN A 50 -16.699 0.175 -2.285 1.00 0.56 O ATOM 779 CB GLN A 50 -16.529 3.306 -1.223 1.00 0.59 C ATOM 780 CG GLN A 50 -15.969 3.313 -2.638 1.00 0.91 C ATOM 781 CD GLN A 50 -17.051 3.259 -3.699 1.00 1.33 C ATOM 782 OE1 GLN A 50 -18.216 3.557 -3.433 1.00 2.12 O ATOM 783 NE2 GLN A 50 -16.671 2.875 -4.912 1.00 1.46 N ATOM 0 H GLN A 50 -17.232 2.810 1.085 1.00 0.56 H new ATOM 0 HA GLN A 50 -18.218 1.989 -1.405 1.00 0.55 H new ATOM 0 HB2 GLN A 50 -17.205 4.153 -1.106 1.00 0.59 H new ATOM 0 HB3 GLN A 50 -15.710 3.452 -0.518 1.00 0.59 H new ATOM 0 HG2 GLN A 50 -15.370 4.212 -2.782 1.00 0.91 H new ATOM 0 HG3 GLN A 50 -15.301 2.461 -2.764 1.00 0.91 H new ATOM 0 HE21 GLN A 50 -15.695 2.637 -5.089 1.00 1.46 H new ATOM 0 HE22 GLN A 50 -17.355 2.818 -5.667 1.00 1.46 H new ATOM 792 N ILE A 51 -15.455 0.472 -0.432 1.00 0.40 N ATOM 793 CA ILE A 51 -14.588 -0.671 -0.700 1.00 0.38 C ATOM 794 C ILE A 51 -15.333 -1.988 -0.503 1.00 0.41 C ATOM 795 O ILE A 51 -15.260 -2.884 -1.344 1.00 0.47 O ATOM 796 CB ILE A 51 -13.341 -0.658 0.208 1.00 0.35 C ATOM 797 CG1 ILE A 51 -12.582 0.661 0.051 1.00 0.39 C ATOM 798 CG2 ILE A 51 -12.435 -1.836 -0.118 1.00 0.38 C ATOM 799 CD1 ILE A 51 -11.899 1.119 1.321 1.00 0.42 C ATOM 0 H ILE A 51 -15.232 0.980 0.424 1.00 0.40 H new ATOM 0 HA ILE A 51 -14.272 -0.589 -1.740 1.00 0.38 H new ATOM 0 HB ILE A 51 -13.665 -0.749 1.245 1.00 0.35 H new ATOM 0 HG12 ILE A 51 -11.834 0.550 -0.734 1.00 0.39 H new ATOM 0 HG13 ILE A 51 -13.277 1.434 -0.278 1.00 0.39 H new ATOM 0 HG21 ILE A 51 -11.560 -1.812 0.531 1.00 0.38 H new ATOM 0 HG22 ILE A 51 -12.979 -2.768 0.039 1.00 0.38 H new ATOM 0 HG23 ILE A 51 -12.117 -1.773 -1.159 1.00 0.38 H new ATOM 0 HD11 ILE A 51 -11.381 2.060 1.136 1.00 0.42 H new ATOM 0 HD12 ILE A 51 -12.644 1.263 2.103 1.00 0.42 H new ATOM 0 HD13 ILE A 51 -11.179 0.365 1.640 1.00 0.42 H new ATOM 811 N SER A 52 -16.045 -2.099 0.615 1.00 0.43 N ATOM 812 CA SER A 52 -16.805 -3.304 0.931 1.00 0.50 C ATOM 813 C SER A 52 -17.749 -3.679 -0.209 1.00 0.52 C ATOM 814 O SER A 52 -17.934 -4.858 -0.511 1.00 0.59 O ATOM 815 CB SER A 52 -17.602 -3.103 2.220 1.00 0.57 C ATOM 816 OG SER A 52 -18.813 -2.411 1.969 1.00 1.42 O ATOM 0 H SER A 52 -16.111 -1.365 1.320 1.00 0.43 H new ATOM 0 HA SER A 52 -16.096 -4.120 1.069 1.00 0.50 H new ATOM 0 HB2 SER A 52 -17.820 -4.071 2.671 1.00 0.57 H new ATOM 0 HB3 SER A 52 -17.002 -2.544 2.938 1.00 0.57 H new ATOM 0 HG SER A 52 -18.622 -1.588 1.473 1.00 1.42 H new ATOM 822 N SER A 53 -18.343 -2.668 -0.834 1.00 0.54 N ATOM 823 CA SER A 53 -19.272 -2.888 -1.940 1.00 0.60 C ATOM 824 C SER A 53 -18.603 -3.656 -3.076 1.00 0.63 C ATOM 825 O SER A 53 -19.041 -4.748 -3.440 1.00 0.70 O ATOM 826 CB SER A 53 -19.806 -1.551 -2.460 1.00 0.68 C ATOM 827 OG SER A 53 -21.153 -1.353 -2.067 1.00 0.93 O ATOM 0 H SER A 53 -18.198 -1.687 -0.594 1.00 0.54 H new ATOM 0 HA SER A 53 -20.103 -3.485 -1.565 1.00 0.60 H new ATOM 0 HB2 SER A 53 -19.189 -0.737 -2.080 1.00 0.68 H new ATOM 0 HB3 SER A 53 -19.733 -1.525 -3.547 1.00 0.68 H new ATOM 0 HG SER A 53 -21.471 -0.492 -2.410 1.00 0.93 H new ATOM 833 N GLN A 54 -17.541 -3.080 -3.631 1.00 0.67 N ATOM 834 CA GLN A 54 -16.815 -3.707 -4.729 1.00 0.80 C ATOM 835 C GLN A 54 -16.228 -5.052 -4.307 1.00 0.81 C ATOM 836 O GLN A 54 -16.144 -5.980 -5.111 1.00 0.97 O ATOM 837 CB GLN A 54 -15.697 -2.785 -5.222 1.00 0.94 C ATOM 838 CG GLN A 54 -16.167 -1.373 -5.537 1.00 1.35 C ATOM 839 CD GLN A 54 -16.156 -1.074 -7.024 1.00 1.75 C ATOM 840 OE1 GLN A 54 -15.630 -0.049 -7.459 1.00 2.48 O ATOM 841 NE2 GLN A 54 -16.739 -1.968 -7.813 1.00 2.07 N ATOM 0 H GLN A 54 -17.164 -2.179 -3.337 1.00 0.67 H new ATOM 0 HA GLN A 54 -17.522 -3.881 -5.540 1.00 0.80 H new ATOM 0 HB2 GLN A 54 -14.915 -2.738 -4.464 1.00 0.94 H new ATOM 0 HB3 GLN A 54 -15.248 -3.218 -6.116 1.00 0.94 H new ATOM 0 HG2 GLN A 54 -17.176 -1.235 -5.150 1.00 1.35 H new ATOM 0 HG3 GLN A 54 -15.527 -0.657 -5.021 1.00 1.35 H new ATOM 0 HE21 GLN A 54 -17.163 -2.804 -7.411 1.00 2.07 H new ATOM 0 HE22 GLN A 54 -16.763 -1.819 -8.822 1.00 2.07 H new ATOM 850 N LYS A 55 -15.828 -5.151 -3.042 1.00 0.68 N ATOM 851 CA LYS A 55 -15.245 -6.382 -2.517 1.00 0.73 C ATOM 852 C LYS A 55 -16.218 -7.549 -2.645 1.00 0.86 C ATOM 853 O LYS A 55 -15.820 -8.666 -2.976 1.00 1.12 O ATOM 854 CB LYS A 55 -14.845 -6.198 -1.051 1.00 0.65 C ATOM 855 CG LYS A 55 -14.005 -7.339 -0.502 1.00 0.74 C ATOM 856 CD LYS A 55 -14.473 -7.760 0.883 1.00 0.76 C ATOM 857 CE LYS A 55 -13.300 -8.091 1.789 1.00 1.36 C ATOM 858 NZ LYS A 55 -12.803 -9.479 1.571 1.00 1.77 N ATOM 0 H LYS A 55 -15.897 -4.394 -2.362 1.00 0.68 H new ATOM 0 HA LYS A 55 -14.356 -6.609 -3.106 1.00 0.73 H new ATOM 0 HB2 LYS A 55 -14.288 -5.266 -0.949 1.00 0.65 H new ATOM 0 HB3 LYS A 55 -15.747 -6.098 -0.447 1.00 0.65 H new ATOM 0 HG2 LYS A 55 -14.059 -8.191 -1.180 1.00 0.74 H new ATOM 0 HG3 LYS A 55 -12.960 -7.034 -0.457 1.00 0.74 H new ATOM 0 HD2 LYS A 55 -15.063 -6.959 1.328 1.00 0.76 H new ATOM 0 HD3 LYS A 55 -15.126 -8.629 0.799 1.00 0.76 H new ATOM 0 HE2 LYS A 55 -12.491 -7.383 1.608 1.00 1.36 H new ATOM 0 HE3 LYS A 55 -13.601 -7.972 2.830 1.00 1.36 H new ATOM 0 HZ1 LYS A 55 -12.003 -9.665 2.208 1.00 1.77 H new ATOM 0 HZ2 LYS A 55 -13.567 -10.156 1.768 1.00 1.77 H new ATOM 0 HZ3 LYS A 55 -12.492 -9.585 0.584 1.00 1.77 H new ATOM 872 N GLN A 56 -17.492 -7.284 -2.380 1.00 0.79 N ATOM 873 CA GLN A 56 -18.522 -8.312 -2.463 1.00 0.97 C ATOM 874 C GLN A 56 -18.617 -8.886 -3.872 1.00 1.12 C ATOM 875 O GLN A 56 -19.071 -10.015 -4.062 1.00 1.37 O ATOM 876 CB GLN A 56 -19.878 -7.742 -2.043 1.00 0.96 C ATOM 877 CG GLN A 56 -20.687 -8.681 -1.163 1.00 1.58 C ATOM 878 CD GLN A 56 -22.054 -8.991 -1.741 1.00 2.14 C ATOM 879 OE1 GLN A 56 -23.073 -8.853 -1.065 1.00 2.41 O ATOM 880 NE2 GLN A 56 -22.082 -9.412 -3.000 1.00 3.02 N ATOM 0 H GLN A 56 -17.837 -6.364 -2.105 1.00 0.79 H new ATOM 0 HA GLN A 56 -18.244 -9.117 -1.783 1.00 0.97 H new ATOM 0 HB2 GLN A 56 -19.719 -6.805 -1.510 1.00 0.96 H new ATOM 0 HB3 GLN A 56 -20.456 -7.507 -2.937 1.00 0.96 H new ATOM 0 HG2 GLN A 56 -20.135 -9.611 -1.027 1.00 1.58 H new ATOM 0 HG3 GLN A 56 -20.807 -8.234 -0.176 1.00 1.58 H new ATOM 0 HE21 GLN A 56 -21.212 -9.512 -3.524 1.00 3.02 H new ATOM 0 HE22 GLN A 56 -22.973 -9.635 -3.443 1.00 3.02 H new ATOM 889 N ARG A 57 -18.185 -8.106 -4.858 1.00 1.15 N ATOM 890 CA ARG A 57 -18.231 -8.541 -6.249 1.00 1.46 C ATOM 891 C ARG A 57 -16.921 -9.207 -6.655 1.00 1.58 C ATOM 892 O ARG A 57 -16.155 -8.661 -7.448 1.00 1.74 O ATOM 893 CB ARG A 57 -18.522 -7.350 -7.166 1.00 1.66 C ATOM 894 CG ARG A 57 -19.739 -6.544 -6.744 1.00 1.38 C ATOM 895 CD ARG A 57 -19.829 -5.232 -7.504 1.00 1.67 C ATOM 896 NE ARG A 57 -20.143 -5.438 -8.916 1.00 1.89 N ATOM 897 CZ ARG A 57 -20.101 -4.475 -9.832 1.00 2.38 C ATOM 898 NH1 ARG A 57 -19.763 -3.240 -9.484 1.00 2.83 N ATOM 899 NH2 ARG A 57 -20.397 -4.746 -11.095 1.00 2.99 N ATOM 0 H ARG A 57 -17.800 -7.172 -4.720 1.00 1.15 H new ATOM 0 HA ARG A 57 -19.033 -9.273 -6.350 1.00 1.46 H new ATOM 0 HB2 ARG A 57 -17.651 -6.695 -7.185 1.00 1.66 H new ATOM 0 HB3 ARG A 57 -18.671 -7.712 -8.183 1.00 1.66 H new ATOM 0 HG2 ARG A 57 -20.642 -7.129 -6.918 1.00 1.38 H new ATOM 0 HG3 ARG A 57 -19.690 -6.343 -5.674 1.00 1.38 H new ATOM 0 HD2 ARG A 57 -20.594 -4.602 -7.051 1.00 1.67 H new ATOM 0 HD3 ARG A 57 -18.883 -4.697 -7.417 1.00 1.67 H new ATOM 0 HE ARG A 57 -20.410 -6.375 -9.217 1.00 1.89 H new ATOM 0 HH11 ARG A 57 -19.535 -3.028 -8.513 1.00 2.83 H new ATOM 0 HH12 ARG A 57 -19.731 -2.502 -10.188 1.00 2.83 H new ATOM 0 HH21 ARG A 57 -20.658 -5.694 -11.366 1.00 2.99 H new ATOM 0 HH22 ARG A 57 -20.364 -4.006 -11.796 1.00 2.99 H new ATOM 913 N GLY A 58 -16.690 -10.400 -6.109 1.00 1.74 N ATOM 914 CA GLY A 58 -15.487 -11.162 -6.413 1.00 2.05 C ATOM 915 C GLY A 58 -14.255 -10.297 -6.613 1.00 1.56 C ATOM 916 O GLY A 58 -13.525 -10.469 -7.588 1.00 1.61 O ATOM 0 H GLY A 58 -17.323 -10.858 -5.453 1.00 1.74 H new ATOM 0 HA2 GLY A 58 -15.299 -11.867 -5.603 1.00 2.05 H new ATOM 0 HA3 GLY A 58 -15.658 -11.751 -7.314 1.00 2.05 H new ATOM 920 N ARG A 59 -14.023 -9.368 -5.692 1.00 1.40 N ATOM 921 CA ARG A 59 -12.870 -8.478 -5.782 1.00 1.48 C ATOM 922 C ARG A 59 -12.172 -8.347 -4.433 1.00 1.02 C ATOM 923 O ARG A 59 -12.754 -8.642 -3.389 1.00 1.47 O ATOM 924 CB ARG A 59 -13.302 -7.099 -6.283 1.00 2.32 C ATOM 925 CG ARG A 59 -13.550 -7.047 -7.782 1.00 3.01 C ATOM 926 CD ARG A 59 -12.453 -6.280 -8.504 1.00 3.79 C ATOM 927 NE ARG A 59 -12.361 -6.656 -9.912 1.00 4.29 N ATOM 928 CZ ARG A 59 -11.870 -5.862 -10.859 1.00 4.87 C ATOM 929 NH1 ARG A 59 -11.421 -4.652 -10.550 1.00 5.10 N ATOM 930 NH2 ARG A 59 -11.827 -6.278 -12.118 1.00 5.55 N ATOM 0 H ARG A 59 -14.616 -9.211 -4.877 1.00 1.40 H new ATOM 0 HA ARG A 59 -12.165 -8.911 -6.492 1.00 1.48 H new ATOM 0 HB2 ARG A 59 -14.212 -6.801 -5.762 1.00 2.32 H new ATOM 0 HB3 ARG A 59 -12.533 -6.370 -6.025 1.00 2.32 H new ATOM 0 HG2 ARG A 59 -13.607 -8.061 -8.178 1.00 3.01 H new ATOM 0 HG3 ARG A 59 -14.513 -6.575 -7.976 1.00 3.01 H new ATOM 0 HD2 ARG A 59 -12.647 -5.210 -8.426 1.00 3.79 H new ATOM 0 HD3 ARG A 59 -11.497 -6.467 -8.015 1.00 3.79 H new ATOM 0 HE ARG A 59 -12.693 -7.581 -10.185 1.00 4.29 H new ATOM 0 HH11 ARG A 59 -11.452 -4.328 -9.583 1.00 5.10 H new ATOM 0 HH12 ARG A 59 -11.045 -4.046 -11.279 1.00 5.10 H new ATOM 0 HH21 ARG A 59 -12.171 -7.207 -12.360 1.00 5.55 H new ATOM 0 HH22 ARG A 59 -11.450 -5.668 -12.844 1.00 5.55 H new ATOM 944 N SER A 60 -10.919 -7.901 -4.465 1.00 0.87 N ATOM 945 CA SER A 60 -10.138 -7.726 -3.247 1.00 0.54 C ATOM 946 C SER A 60 -10.315 -6.320 -2.686 1.00 0.42 C ATOM 947 O SER A 60 -10.196 -5.333 -3.412 1.00 0.40 O ATOM 948 CB SER A 60 -8.657 -7.994 -3.522 1.00 0.77 C ATOM 949 OG SER A 60 -8.474 -8.590 -4.794 1.00 1.51 O ATOM 0 H SER A 60 -10.424 -7.655 -5.322 1.00 0.87 H new ATOM 0 HA SER A 60 -10.499 -8.442 -2.508 1.00 0.54 H new ATOM 0 HB2 SER A 60 -8.100 -7.059 -3.472 1.00 0.77 H new ATOM 0 HB3 SER A 60 -8.253 -8.648 -2.749 1.00 0.77 H new ATOM 0 HG SER A 60 -7.519 -8.749 -4.946 1.00 1.51 H new ATOM 955 N ALA A 61 -10.602 -6.236 -1.391 1.00 0.38 N ATOM 956 CA ALA A 61 -10.797 -4.951 -0.733 1.00 0.33 C ATOM 957 C ALA A 61 -9.538 -4.095 -0.813 1.00 0.29 C ATOM 958 O ALA A 61 -9.615 -2.874 -0.950 1.00 0.27 O ATOM 959 CB ALA A 61 -11.207 -5.159 0.717 1.00 0.39 C ATOM 0 H ALA A 61 -10.705 -7.044 -0.777 1.00 0.38 H new ATOM 0 HA ALA A 61 -11.596 -4.422 -1.253 1.00 0.33 H new ATOM 0 HB1 ALA A 61 -11.349 -4.191 1.197 1.00 0.39 H new ATOM 0 HB2 ALA A 61 -12.139 -5.723 0.754 1.00 0.39 H new ATOM 0 HB3 ALA A 61 -10.427 -5.712 1.240 1.00 0.39 H new ATOM 965 N SER A 62 -8.380 -4.741 -0.726 1.00 0.33 N ATOM 966 CA SER A 62 -7.104 -4.036 -0.791 1.00 0.34 C ATOM 967 C SER A 62 -6.912 -3.388 -2.157 1.00 0.31 C ATOM 968 O SER A 62 -6.315 -2.318 -2.266 1.00 0.31 O ATOM 969 CB SER A 62 -5.949 -4.995 -0.500 1.00 0.42 C ATOM 970 OG SER A 62 -6.371 -6.343 -0.590 1.00 0.66 O ATOM 0 H SER A 62 -8.298 -5.751 -0.610 1.00 0.33 H new ATOM 0 HA SER A 62 -7.112 -3.252 -0.034 1.00 0.34 H new ATOM 0 HB2 SER A 62 -5.138 -4.817 -1.206 1.00 0.42 H new ATOM 0 HB3 SER A 62 -5.553 -4.800 0.497 1.00 0.42 H new ATOM 0 HG SER A 62 -5.588 -6.925 -0.686 1.00 0.66 H new ATOM 976 N ASN A 63 -7.416 -4.047 -3.197 1.00 0.32 N ATOM 977 CA ASN A 63 -7.303 -3.528 -4.555 1.00 0.32 C ATOM 978 C ASN A 63 -7.997 -2.176 -4.673 1.00 0.31 C ATOM 979 O ASN A 63 -7.414 -1.208 -5.162 1.00 0.33 O ATOM 980 CB ASN A 63 -7.906 -4.515 -5.554 1.00 0.35 C ATOM 981 CG ASN A 63 -6.912 -4.947 -6.616 1.00 0.92 C ATOM 982 OD1 ASN A 63 -5.712 -4.696 -6.501 1.00 1.40 O ATOM 983 ND2 ASN A 63 -7.409 -5.601 -7.659 1.00 1.79 N ATOM 0 H ASN A 63 -7.905 -4.939 -3.125 1.00 0.32 H new ATOM 0 HA ASN A 63 -6.245 -3.397 -4.783 1.00 0.32 H new ATOM 0 HB2 ASN A 63 -8.266 -5.394 -5.019 1.00 0.35 H new ATOM 0 HB3 ASN A 63 -8.771 -4.058 -6.035 1.00 0.35 H new ATOM 0 HD21 ASN A 63 -6.790 -5.917 -8.405 1.00 1.79 H new ATOM 0 HD22 ASN A 63 -8.410 -5.788 -7.714 1.00 1.79 H new ATOM 990 N GLU A 64 -9.246 -2.120 -4.221 1.00 0.31 N ATOM 991 CA GLU A 64 -10.020 -0.885 -4.267 1.00 0.33 C ATOM 992 C GLU A 64 -9.400 0.167 -3.352 1.00 0.31 C ATOM 993 O GLU A 64 -9.355 1.351 -3.691 1.00 0.34 O ATOM 994 CB GLU A 64 -11.467 -1.151 -3.851 1.00 0.37 C ATOM 995 CG GLU A 64 -12.489 -0.703 -4.883 1.00 0.87 C ATOM 996 CD GLU A 64 -13.130 0.626 -4.532 1.00 1.10 C ATOM 997 OE1 GLU A 64 -13.465 0.826 -3.346 1.00 1.72 O ATOM 998 OE2 GLU A 64 -13.294 1.464 -5.442 1.00 1.66 O ATOM 0 H GLU A 64 -9.743 -2.915 -3.819 1.00 0.31 H new ATOM 0 HA GLU A 64 -10.009 -0.510 -5.290 1.00 0.33 H new ATOM 0 HB2 GLU A 64 -11.593 -2.218 -3.667 1.00 0.37 H new ATOM 0 HB3 GLU A 64 -11.665 -0.639 -2.909 1.00 0.37 H new ATOM 0 HG2 GLU A 64 -12.005 -0.623 -5.857 1.00 0.87 H new ATOM 0 HG3 GLU A 64 -13.265 -1.463 -4.974 1.00 0.87 H new ATOM 1005 N PHE A 65 -8.928 -0.277 -2.191 1.00 0.29 N ATOM 1006 CA PHE A 65 -8.303 0.615 -1.220 1.00 0.29 C ATOM 1007 C PHE A 65 -7.115 1.347 -1.839 1.00 0.30 C ATOM 1008 O PHE A 65 -6.992 2.565 -1.717 1.00 0.33 O ATOM 1009 CB PHE A 65 -7.853 -0.177 0.012 1.00 0.30 C ATOM 1010 CG PHE A 65 -6.903 0.573 0.905 1.00 0.31 C ATOM 1011 CD1 PHE A 65 -7.305 1.732 1.549 1.00 0.41 C ATOM 1012 CD2 PHE A 65 -5.609 0.117 1.101 1.00 0.35 C ATOM 1013 CE1 PHE A 65 -6.437 2.423 2.371 1.00 0.50 C ATOM 1014 CE2 PHE A 65 -4.735 0.804 1.923 1.00 0.42 C ATOM 1015 CZ PHE A 65 -5.146 1.957 2.556 1.00 0.48 C ATOM 0 H PHE A 65 -8.967 -1.254 -1.899 1.00 0.29 H new ATOM 0 HA PHE A 65 -9.040 1.358 -0.914 1.00 0.29 H new ATOM 0 HB2 PHE A 65 -8.732 -0.461 0.590 1.00 0.30 H new ATOM 0 HB3 PHE A 65 -7.375 -1.100 -0.316 1.00 0.30 H new ATOM 0 HD1 PHE A 65 -8.310 2.100 1.406 1.00 0.41 H new ATOM 0 HD2 PHE A 65 -5.280 -0.785 0.606 1.00 0.35 H new ATOM 0 HE1 PHE A 65 -6.764 3.324 2.868 1.00 0.50 H new ATOM 0 HE2 PHE A 65 -3.730 0.437 2.069 1.00 0.42 H new ATOM 0 HZ PHE A 65 -4.463 2.496 3.195 1.00 0.48 H new ATOM 1025 N LEU A 66 -6.243 0.591 -2.500 1.00 0.32 N ATOM 1026 CA LEU A 66 -5.062 1.167 -3.138 1.00 0.35 C ATOM 1027 C LEU A 66 -5.461 2.129 -4.252 1.00 0.37 C ATOM 1028 O LEU A 66 -4.744 3.086 -4.544 1.00 0.42 O ATOM 1029 CB LEU A 66 -4.171 0.056 -3.705 1.00 0.39 C ATOM 1030 CG LEU A 66 -2.967 -0.330 -2.838 1.00 0.49 C ATOM 1031 CD1 LEU A 66 -2.075 0.877 -2.583 1.00 0.65 C ATOM 1032 CD2 LEU A 66 -3.429 -0.942 -1.525 1.00 0.61 C ATOM 0 H LEU A 66 -6.331 -0.419 -2.608 1.00 0.32 H new ATOM 0 HA LEU A 66 -4.506 1.723 -2.383 1.00 0.35 H new ATOM 0 HB2 LEU A 66 -4.783 -0.832 -3.863 1.00 0.39 H new ATOM 0 HB3 LEU A 66 -3.807 0.370 -4.683 1.00 0.39 H new ATOM 0 HG LEU A 66 -2.383 -1.075 -3.378 1.00 0.49 H new ATOM 0 HD11 LEU A 66 -1.227 0.579 -1.966 1.00 0.65 H new ATOM 0 HD12 LEU A 66 -1.712 1.268 -3.533 1.00 0.65 H new ATOM 0 HD13 LEU A 66 -2.646 1.649 -2.067 1.00 0.65 H new ATOM 0 HD21 LEU A 66 -2.561 -1.210 -0.923 1.00 0.61 H new ATOM 0 HD22 LEU A 66 -4.039 -0.220 -0.982 1.00 0.61 H new ATOM 0 HD23 LEU A 66 -4.019 -1.836 -1.728 1.00 0.61 H new ATOM 1044 N ASN A 67 -6.603 1.862 -4.875 1.00 0.37 N ATOM 1045 CA ASN A 67 -7.101 2.701 -5.961 1.00 0.42 C ATOM 1046 C ASN A 67 -7.421 4.113 -5.476 1.00 0.41 C ATOM 1047 O ASN A 67 -6.814 5.087 -5.924 1.00 0.66 O ATOM 1048 CB ASN A 67 -8.345 2.070 -6.586 1.00 0.47 C ATOM 1049 CG ASN A 67 -8.285 2.048 -8.101 1.00 0.84 C ATOM 1050 OD1 ASN A 67 -7.773 2.977 -8.727 1.00 1.10 O ATOM 1051 ND2 ASN A 67 -8.810 0.985 -8.699 1.00 1.48 N ATOM 0 H ASN A 67 -7.203 1.070 -4.647 1.00 0.37 H new ATOM 0 HA ASN A 67 -6.315 2.773 -6.713 1.00 0.42 H new ATOM 0 HB2 ASN A 67 -8.457 1.051 -6.215 1.00 0.47 H new ATOM 0 HB3 ASN A 67 -9.228 2.624 -6.268 1.00 0.47 H new ATOM 0 HD21 ASN A 67 -8.799 0.915 -9.717 1.00 1.48 H new ATOM 0 HD22 ASN A 67 -9.224 0.238 -8.141 1.00 1.48 H new ATOM 1058 N ILE A 68 -8.379 4.216 -4.559 1.00 0.33 N ATOM 1059 CA ILE A 68 -8.792 5.508 -4.020 1.00 0.35 C ATOM 1060 C ILE A 68 -7.660 6.191 -3.256 1.00 0.35 C ATOM 1061 O ILE A 68 -7.400 7.378 -3.447 1.00 0.41 O ATOM 1062 CB ILE A 68 -10.008 5.363 -3.084 1.00 0.40 C ATOM 1063 CG1 ILE A 68 -11.082 4.487 -3.733 1.00 0.43 C ATOM 1064 CG2 ILE A 68 -10.575 6.732 -2.735 1.00 0.46 C ATOM 1065 CD1 ILE A 68 -11.828 3.616 -2.746 1.00 0.52 C ATOM 0 H ILE A 68 -8.885 3.419 -4.173 1.00 0.33 H new ATOM 0 HA ILE A 68 -9.065 6.125 -4.876 1.00 0.35 H new ATOM 0 HB ILE A 68 -9.681 4.880 -2.163 1.00 0.40 H new ATOM 0 HG12 ILE A 68 -11.795 5.126 -4.253 1.00 0.43 H new ATOM 0 HG13 ILE A 68 -10.615 3.852 -4.486 1.00 0.43 H new ATOM 0 HG21 ILE A 68 -11.433 6.613 -2.074 1.00 0.46 H new ATOM 0 HG22 ILE A 68 -9.810 7.326 -2.234 1.00 0.46 H new ATOM 0 HG23 ILE A 68 -10.888 7.239 -3.647 1.00 0.46 H new ATOM 0 HD11 ILE A 68 -12.573 3.022 -3.275 1.00 0.52 H new ATOM 0 HD12 ILE A 68 -11.125 2.952 -2.243 1.00 0.52 H new ATOM 0 HD13 ILE A 68 -12.324 4.246 -2.007 1.00 0.52 H new ATOM 1077 N TRP A 69 -6.990 5.433 -2.394 1.00 0.35 N ATOM 1078 CA TRP A 69 -5.891 5.971 -1.597 1.00 0.38 C ATOM 1079 C TRP A 69 -4.669 6.255 -2.467 1.00 0.45 C ATOM 1080 O TRP A 69 -3.778 7.010 -2.074 1.00 0.62 O ATOM 1081 CB TRP A 69 -5.522 4.995 -0.477 1.00 0.42 C ATOM 1082 CG TRP A 69 -4.495 5.534 0.472 1.00 0.43 C ATOM 1083 CD1 TRP A 69 -4.645 6.582 1.332 1.00 0.45 C ATOM 1084 CD2 TRP A 69 -3.160 5.049 0.657 1.00 0.48 C ATOM 1085 NE1 TRP A 69 -3.486 6.780 2.041 1.00 0.48 N ATOM 1086 CE2 TRP A 69 -2.559 5.852 1.645 1.00 0.50 C ATOM 1087 CE3 TRP A 69 -2.416 4.016 0.083 1.00 0.55 C ATOM 1088 CZ2 TRP A 69 -1.248 5.652 2.070 1.00 0.57 C ATOM 1089 CZ3 TRP A 69 -1.116 3.817 0.506 1.00 0.62 C ATOM 1090 CH2 TRP A 69 -0.543 4.632 1.492 1.00 0.63 C ATOM 0 H TRP A 69 -7.188 4.446 -2.229 1.00 0.35 H new ATOM 0 HA TRP A 69 -6.222 6.911 -1.157 1.00 0.38 H new ATOM 0 HB2 TRP A 69 -6.422 4.739 0.082 1.00 0.42 H new ATOM 0 HB3 TRP A 69 -5.147 4.072 -0.919 1.00 0.42 H new ATOM 0 HD1 TRP A 69 -5.544 7.170 1.440 1.00 0.45 H new ATOM 0 HE1 TRP A 69 -3.339 7.501 2.748 1.00 0.48 H new ATOM 0 HE3 TRP A 69 -2.849 3.384 -0.678 1.00 0.55 H new ATOM 0 HZ2 TRP A 69 -0.804 6.280 2.829 1.00 0.57 H new ATOM 0 HZ3 TRP A 69 -0.532 3.020 0.070 1.00 0.62 H new ATOM 0 HH2 TRP A 69 0.476 4.451 1.802 1.00 0.63 H new ATOM 1101 N GLY A 70 -4.634 5.651 -3.650 1.00 0.59 N ATOM 1102 CA GLY A 70 -3.514 5.855 -4.550 1.00 0.74 C ATOM 1103 C GLY A 70 -3.948 6.337 -5.920 1.00 0.86 C ATOM 1104 O GLY A 70 -4.175 5.533 -6.825 1.00 1.08 O ATOM 0 H GLY A 70 -5.359 5.025 -4.001 1.00 0.59 H new ATOM 0 HA2 GLY A 70 -2.829 6.582 -4.113 1.00 0.74 H new ATOM 0 HA3 GLY A 70 -2.962 4.921 -4.655 1.00 0.74 H new ATOM 1108 N GLY A 71 -4.063 7.652 -6.073 1.00 0.96 N ATOM 1109 CA GLY A 71 -4.471 8.218 -7.346 1.00 1.16 C ATOM 1110 C GLY A 71 -4.827 9.688 -7.243 1.00 1.26 C ATOM 1111 O GLY A 71 -4.474 10.480 -8.118 1.00 1.54 O ATOM 0 H GLY A 71 -3.881 8.336 -5.339 1.00 0.96 H new ATOM 0 HA2 GLY A 71 -3.666 8.093 -8.070 1.00 1.16 H new ATOM 0 HA3 GLY A 71 -5.330 7.666 -7.726 1.00 1.16 H new ATOM 1115 N GLN A 72 -5.525 10.055 -6.173 1.00 1.15 N ATOM 1116 CA GLN A 72 -5.928 11.440 -5.962 1.00 1.31 C ATOM 1117 C GLN A 72 -5.188 12.049 -4.774 1.00 1.31 C ATOM 1118 O GLN A 72 -4.952 13.256 -4.731 1.00 1.64 O ATOM 1119 CB GLN A 72 -7.438 11.527 -5.738 1.00 1.35 C ATOM 1120 CG GLN A 72 -7.959 10.512 -4.737 1.00 1.21 C ATOM 1121 CD GLN A 72 -9.231 10.969 -4.051 1.00 1.42 C ATOM 1122 OE1 GLN A 72 -10.336 10.622 -4.471 1.00 1.84 O ATOM 1123 NE2 GLN A 72 -9.082 11.752 -2.989 1.00 1.99 N ATOM 0 H GLN A 72 -5.823 9.412 -5.439 1.00 1.15 H new ATOM 0 HA GLN A 72 -5.669 12.007 -6.856 1.00 1.31 H new ATOM 0 HB2 GLN A 72 -7.689 12.530 -5.392 1.00 1.35 H new ATOM 0 HB3 GLN A 72 -7.948 11.382 -6.690 1.00 1.35 H new ATOM 0 HG2 GLN A 72 -8.145 9.567 -5.247 1.00 1.21 H new ATOM 0 HG3 GLN A 72 -7.193 10.323 -3.985 1.00 1.21 H new ATOM 0 HE21 GLN A 72 -8.147 12.015 -2.676 1.00 1.99 H new ATOM 0 HE22 GLN A 72 -9.902 12.091 -2.486 1.00 1.99 H new ATOM 1132 N TYR A 73 -4.825 11.205 -3.814 1.00 1.08 N ATOM 1133 CA TYR A 73 -4.110 11.661 -2.627 1.00 1.16 C ATOM 1134 C TYR A 73 -2.660 11.996 -2.962 1.00 1.24 C ATOM 1135 O TYR A 73 -1.967 12.649 -2.180 1.00 1.49 O ATOM 1136 CB TYR A 73 -4.157 10.592 -1.532 1.00 1.13 C ATOM 1137 CG TYR A 73 -5.306 10.760 -0.560 1.00 1.13 C ATOM 1138 CD1 TYR A 73 -5.457 11.933 0.169 1.00 1.46 C ATOM 1139 CD2 TYR A 73 -6.240 9.748 -0.373 1.00 0.90 C ATOM 1140 CE1 TYR A 73 -6.505 12.092 1.056 1.00 1.53 C ATOM 1141 CE2 TYR A 73 -7.290 9.899 0.512 1.00 0.97 C ATOM 1142 CZ TYR A 73 -7.416 11.064 1.227 1.00 1.27 C ATOM 1143 OH TYR A 73 -8.462 11.227 2.106 1.00 1.38 O ATOM 0 H TYR A 73 -5.014 10.203 -3.834 1.00 1.08 H new ATOM 0 HA TYR A 73 -4.601 12.564 -2.264 1.00 1.16 H new ATOM 0 HB2 TYR A 73 -4.230 9.610 -1.999 1.00 1.13 H new ATOM 0 HB3 TYR A 73 -3.219 10.612 -0.977 1.00 1.13 H new ATOM 0 HD1 TYR A 73 -4.744 12.734 0.040 1.00 1.46 H new ATOM 0 HD2 TYR A 73 -6.143 8.827 -0.929 1.00 0.90 H new ATOM 0 HE1 TYR A 73 -6.612 13.012 1.612 1.00 1.53 H new ATOM 0 HE2 TYR A 73 -8.009 9.103 0.641 1.00 0.97 H new ATOM 0 HH TYR A 73 -9.013 10.417 2.112 1.00 1.38 H new ATOM 1153 N ASN A 74 -2.210 11.545 -4.131 1.00 1.23 N ATOM 1154 CA ASN A 74 -0.842 11.791 -4.578 1.00 1.34 C ATOM 1155 C ASN A 74 0.165 11.316 -3.535 1.00 0.95 C ATOM 1156 O ASN A 74 1.137 12.008 -3.231 1.00 1.38 O ATOM 1157 CB ASN A 74 -0.635 13.279 -4.869 1.00 1.91 C ATOM 1158 CG ASN A 74 -1.636 13.816 -5.873 1.00 2.53 C ATOM 1159 OD1 ASN A 74 -1.753 13.303 -6.985 1.00 3.01 O ATOM 1160 ND2 ASN A 74 -2.364 14.856 -5.483 1.00 3.10 N ATOM 0 H ASN A 74 -2.775 11.006 -4.787 1.00 1.23 H new ATOM 0 HA ASN A 74 -0.679 11.226 -5.496 1.00 1.34 H new ATOM 0 HB2 ASN A 74 -0.718 13.843 -3.940 1.00 1.91 H new ATOM 0 HB3 ASN A 74 0.375 13.435 -5.248 1.00 1.91 H new ATOM 0 HD21 ASN A 74 -3.054 15.261 -6.115 1.00 3.10 H new ATOM 0 HD22 ASN A 74 -2.233 15.249 -4.551 1.00 3.10 H new ATOM 1167 N HIS A 75 -0.078 10.128 -2.994 1.00 0.64 N ATOM 1168 CA HIS A 75 0.796 9.548 -1.984 1.00 0.65 C ATOM 1169 C HIS A 75 2.055 8.962 -2.620 1.00 0.56 C ATOM 1170 O HIS A 75 2.334 9.201 -3.795 1.00 1.01 O ATOM 1171 CB HIS A 75 0.038 8.467 -1.212 1.00 1.06 C ATOM 1172 CG HIS A 75 -0.331 8.875 0.181 1.00 1.69 C ATOM 1173 ND1 HIS A 75 -1.636 8.968 0.616 1.00 2.23 N ATOM 1174 CD2 HIS A 75 0.441 9.220 1.238 1.00 2.43 C ATOM 1175 CE1 HIS A 75 -1.651 9.354 1.880 1.00 2.72 C ATOM 1176 NE2 HIS A 75 -0.404 9.513 2.280 1.00 2.80 N ATOM 0 H HIS A 75 -0.878 9.545 -3.240 1.00 0.64 H new ATOM 0 HA HIS A 75 1.105 10.335 -1.296 1.00 0.65 H new ATOM 0 HB2 HIS A 75 -0.869 8.210 -1.759 1.00 1.06 H new ATOM 0 HB3 HIS A 75 0.650 7.566 -1.168 1.00 1.06 H new ATOM 0 HD2 HIS A 75 1.520 9.258 1.258 1.00 2.43 H new ATOM 0 HE1 HIS A 75 -2.533 9.512 2.482 1.00 2.72 H new ATOM 0 HE2 HIS A 75 -0.114 9.806 3.213 1.00 2.80 H new ATOM 1185 N THR A 76 2.811 8.194 -1.838 1.00 0.64 N ATOM 1186 CA THR A 76 4.039 7.574 -2.328 1.00 0.64 C ATOM 1187 C THR A 76 4.214 6.178 -1.737 1.00 0.51 C ATOM 1188 O THR A 76 3.542 5.815 -0.772 1.00 0.43 O ATOM 1189 CB THR A 76 5.282 8.421 -1.984 1.00 0.89 C ATOM 1190 OG1 THR A 76 5.468 8.464 -0.564 1.00 1.17 O ATOM 1191 CG2 THR A 76 5.145 9.837 -2.524 1.00 1.07 C ATOM 0 H THR A 76 2.594 7.987 -0.863 1.00 0.64 H new ATOM 0 HA THR A 76 3.948 7.507 -3.412 1.00 0.64 H new ATOM 0 HB THR A 76 6.149 7.955 -2.452 1.00 0.89 H new ATOM 0 HG1 THR A 76 6.260 9.002 -0.354 1.00 1.17 H new ATOM 0 HG21 THR A 76 6.035 10.412 -2.267 1.00 1.07 H new ATOM 0 HG22 THR A 76 5.034 9.804 -3.608 1.00 1.07 H new ATOM 0 HG23 THR A 76 4.267 10.311 -2.084 1.00 1.07 H new ATOM 1199 N VAL A 77 5.121 5.401 -2.322 1.00 0.53 N ATOM 1200 CA VAL A 77 5.381 4.043 -1.856 1.00 0.49 C ATOM 1201 C VAL A 77 5.910 4.037 -0.426 1.00 0.40 C ATOM 1202 O VAL A 77 5.853 3.017 0.261 1.00 0.39 O ATOM 1203 CB VAL A 77 6.392 3.317 -2.764 1.00 0.61 C ATOM 1204 CG1 VAL A 77 5.734 2.899 -4.070 1.00 1.22 C ATOM 1205 CG2 VAL A 77 7.604 4.198 -3.026 1.00 1.25 C ATOM 0 H VAL A 77 5.688 5.689 -3.120 1.00 0.53 H new ATOM 0 HA VAL A 77 4.427 3.516 -1.890 1.00 0.49 H new ATOM 0 HB VAL A 77 6.731 2.417 -2.251 1.00 0.61 H new ATOM 0 HG11 VAL A 77 6.464 2.388 -4.698 1.00 1.22 H new ATOM 0 HG12 VAL A 77 4.902 2.227 -3.859 1.00 1.22 H new ATOM 0 HG13 VAL A 77 5.364 3.783 -4.590 1.00 1.22 H new ATOM 0 HG21 VAL A 77 8.307 3.668 -3.669 1.00 1.25 H new ATOM 0 HG22 VAL A 77 7.286 5.118 -3.517 1.00 1.25 H new ATOM 0 HG23 VAL A 77 8.089 4.440 -2.080 1.00 1.25 H new ATOM 1215 N GLN A 78 6.429 5.179 0.015 1.00 0.42 N ATOM 1216 CA GLN A 78 6.964 5.302 1.365 1.00 0.42 C ATOM 1217 C GLN A 78 5.888 5.003 2.403 1.00 0.37 C ATOM 1218 O GLN A 78 6.071 4.156 3.277 1.00 0.35 O ATOM 1219 CB GLN A 78 7.530 6.707 1.589 1.00 0.54 C ATOM 1220 CG GLN A 78 8.439 7.182 0.467 1.00 1.05 C ATOM 1221 CD GLN A 78 9.028 8.552 0.738 1.00 1.49 C ATOM 1222 OE1 GLN A 78 8.595 9.551 0.162 1.00 2.24 O ATOM 1223 NE2 GLN A 78 10.023 8.608 1.616 1.00 1.87 N ATOM 0 H GLN A 78 6.490 6.031 -0.543 1.00 0.42 H new ATOM 0 HA GLN A 78 7.767 4.574 1.478 1.00 0.42 H new ATOM 0 HB2 GLN A 78 6.704 7.409 1.698 1.00 0.54 H new ATOM 0 HB3 GLN A 78 8.086 6.721 2.526 1.00 0.54 H new ATOM 0 HG2 GLN A 78 9.247 6.463 0.329 1.00 1.05 H new ATOM 0 HG3 GLN A 78 7.875 7.210 -0.466 1.00 1.05 H new ATOM 0 HE21 GLN A 78 10.351 7.756 2.070 1.00 1.87 H new ATOM 0 HE22 GLN A 78 10.459 9.503 1.836 1.00 1.87 H new ATOM 1232 N THR A 79 4.766 5.709 2.298 1.00 0.42 N ATOM 1233 CA THR A 79 3.652 5.523 3.223 1.00 0.45 C ATOM 1234 C THR A 79 3.200 4.067 3.258 1.00 0.39 C ATOM 1235 O THR A 79 2.838 3.545 4.312 1.00 0.40 O ATOM 1236 CB THR A 79 2.453 6.411 2.843 1.00 0.56 C ATOM 1237 OG1 THR A 79 2.853 7.389 1.876 1.00 0.65 O ATOM 1238 CG2 THR A 79 1.885 7.106 4.070 1.00 0.71 C ATOM 0 H THR A 79 4.604 6.416 1.581 1.00 0.42 H new ATOM 0 HA THR A 79 4.011 5.812 4.211 1.00 0.45 H new ATOM 0 HB THR A 79 1.679 5.774 2.415 1.00 0.56 H new ATOM 0 HG1 THR A 79 2.327 7.273 1.057 1.00 0.65 H new ATOM 0 HG21 THR A 79 1.039 7.728 3.777 1.00 0.71 H new ATOM 0 HG22 THR A 79 1.554 6.359 4.791 1.00 0.71 H new ATOM 0 HG23 THR A 79 2.655 7.731 4.523 1.00 0.71 H new ATOM 1246 N LEU A 80 3.221 3.418 2.097 1.00 0.35 N ATOM 1247 CA LEU A 80 2.813 2.019 1.994 1.00 0.34 C ATOM 1248 C LEU A 80 3.703 1.130 2.857 1.00 0.32 C ATOM 1249 O LEU A 80 3.215 0.256 3.574 1.00 0.34 O ATOM 1250 CB LEU A 80 2.865 1.554 0.535 1.00 0.37 C ATOM 1251 CG LEU A 80 2.628 0.057 0.319 1.00 0.42 C ATOM 1252 CD1 LEU A 80 1.213 -0.327 0.726 1.00 0.47 C ATOM 1253 CD2 LEU A 80 2.886 -0.318 -1.134 1.00 0.50 C ATOM 0 H LEU A 80 3.516 3.837 1.215 1.00 0.35 H new ATOM 0 HA LEU A 80 1.788 1.937 2.355 1.00 0.34 H new ATOM 0 HB2 LEU A 80 2.119 2.109 -0.033 1.00 0.37 H new ATOM 0 HB3 LEU A 80 3.839 1.815 0.122 1.00 0.37 H new ATOM 0 HG LEU A 80 3.326 -0.495 0.948 1.00 0.42 H new ATOM 0 HD11 LEU A 80 1.065 -1.395 0.565 1.00 0.47 H new ATOM 0 HD12 LEU A 80 1.062 -0.095 1.780 1.00 0.47 H new ATOM 0 HD13 LEU A 80 0.497 0.233 0.125 1.00 0.47 H new ATOM 0 HD21 LEU A 80 2.713 -1.386 -1.270 1.00 0.50 H new ATOM 0 HD22 LEU A 80 2.212 0.244 -1.780 1.00 0.50 H new ATOM 0 HD23 LEU A 80 3.918 -0.082 -1.393 1.00 0.50 H new ATOM 1265 N PHE A 81 5.010 1.359 2.782 1.00 0.33 N ATOM 1266 CA PHE A 81 5.970 0.584 3.559 1.00 0.36 C ATOM 1267 C PHE A 81 5.718 0.752 5.054 1.00 0.37 C ATOM 1268 O PHE A 81 5.695 -0.224 5.804 1.00 0.38 O ATOM 1269 CB PHE A 81 7.398 1.014 3.219 1.00 0.41 C ATOM 1270 CG PHE A 81 8.434 -0.020 3.553 1.00 0.47 C ATOM 1271 CD1 PHE A 81 9.015 -0.057 4.811 1.00 0.55 C ATOM 1272 CD2 PHE A 81 8.826 -0.955 2.609 1.00 0.59 C ATOM 1273 CE1 PHE A 81 9.969 -1.009 5.121 1.00 0.67 C ATOM 1274 CE2 PHE A 81 9.779 -1.908 2.913 1.00 0.71 C ATOM 1275 CZ PHE A 81 10.354 -1.931 4.175 1.00 0.73 C ATOM 0 H PHE A 81 5.429 2.076 2.190 1.00 0.33 H new ATOM 0 HA PHE A 81 5.845 -0.468 3.303 1.00 0.36 H new ATOM 0 HB2 PHE A 81 7.456 1.243 2.155 1.00 0.41 H new ATOM 0 HB3 PHE A 81 7.629 1.934 3.756 1.00 0.41 H new ATOM 0 HD1 PHE A 81 8.719 0.666 5.557 1.00 0.55 H new ATOM 0 HD2 PHE A 81 8.382 -0.939 1.625 1.00 0.59 H new ATOM 0 HE1 PHE A 81 10.412 -1.029 6.106 1.00 0.67 H new ATOM 0 HE2 PHE A 81 10.076 -2.633 2.170 1.00 0.71 H new ATOM 0 HZ PHE A 81 11.103 -2.671 4.415 1.00 0.73 H new ATOM 1285 N ALA A 82 5.529 1.997 5.478 1.00 0.45 N ATOM 1286 CA ALA A 82 5.276 2.301 6.882 1.00 0.52 C ATOM 1287 C ALA A 82 3.996 1.628 7.368 1.00 0.45 C ATOM 1288 O ALA A 82 3.852 1.329 8.554 1.00 0.43 O ATOM 1289 CB ALA A 82 5.194 3.806 7.088 1.00 0.67 C ATOM 0 H ALA A 82 5.546 2.814 4.868 1.00 0.45 H new ATOM 0 HA ALA A 82 6.106 1.909 7.469 1.00 0.52 H new ATOM 0 HB1 ALA A 82 5.005 4.019 8.140 1.00 0.67 H new ATOM 0 HB2 ALA A 82 6.135 4.266 6.788 1.00 0.67 H new ATOM 0 HB3 ALA A 82 4.383 4.212 6.484 1.00 0.67 H new ATOM 1295 N LEU A 83 3.071 1.394 6.444 1.00 0.44 N ATOM 1296 CA LEU A 83 1.804 0.752 6.775 1.00 0.41 C ATOM 1297 C LEU A 83 2.023 -0.696 7.202 1.00 0.36 C ATOM 1298 O LEU A 83 1.567 -1.116 8.266 1.00 0.36 O ATOM 1299 CB LEU A 83 0.857 0.801 5.575 1.00 0.46 C ATOM 1300 CG LEU A 83 -0.627 0.935 5.920 1.00 0.53 C ATOM 1301 CD1 LEU A 83 -1.424 1.344 4.691 1.00 1.08 C ATOM 1302 CD2 LEU A 83 -1.163 -0.369 6.494 1.00 1.23 C ATOM 0 H LEU A 83 3.175 1.639 5.459 1.00 0.44 H new ATOM 0 HA LEU A 83 1.357 1.295 7.608 1.00 0.41 H new ATOM 0 HB2 LEU A 83 1.143 1.640 4.941 1.00 0.46 H new ATOM 0 HB3 LEU A 83 0.996 -0.105 4.986 1.00 0.46 H new ATOM 0 HG LEU A 83 -0.735 1.713 6.676 1.00 0.53 H new ATOM 0 HD11 LEU A 83 -2.478 1.435 4.954 1.00 1.08 H new ATOM 0 HD12 LEU A 83 -1.058 2.302 4.322 1.00 1.08 H new ATOM 0 HD13 LEU A 83 -1.308 0.588 3.914 1.00 1.08 H new ATOM 0 HD21 LEU A 83 -2.220 -0.254 6.733 1.00 1.23 H new ATOM 0 HD22 LEU A 83 -1.042 -1.166 5.761 1.00 1.23 H new ATOM 0 HD23 LEU A 83 -0.612 -0.622 7.400 1.00 1.23 H new ATOM 1314 N PHE A 84 2.722 -1.453 6.362 1.00 0.37 N ATOM 1315 CA PHE A 84 3.001 -2.858 6.643 1.00 0.39 C ATOM 1316 C PHE A 84 3.752 -3.024 7.958 1.00 0.39 C ATOM 1317 O PHE A 84 3.636 -4.055 8.618 1.00 0.41 O ATOM 1318 CB PHE A 84 3.805 -3.481 5.498 1.00 0.45 C ATOM 1319 CG PHE A 84 3.059 -3.536 4.192 1.00 0.41 C ATOM 1320 CD1 PHE A 84 1.714 -3.864 4.164 1.00 0.46 C ATOM 1321 CD2 PHE A 84 3.702 -3.258 2.993 1.00 0.40 C ATOM 1322 CE1 PHE A 84 1.023 -3.914 2.968 1.00 0.46 C ATOM 1323 CE2 PHE A 84 3.016 -3.308 1.796 1.00 0.41 C ATOM 1324 CZ PHE A 84 1.689 -3.638 1.775 1.00 0.42 C ATOM 0 H PHE A 84 3.107 -1.117 5.479 1.00 0.37 H new ATOM 0 HA PHE A 84 2.045 -3.374 6.732 1.00 0.39 H new ATOM 0 HB2 PHE A 84 4.723 -2.910 5.358 1.00 0.45 H new ATOM 0 HB3 PHE A 84 4.099 -4.492 5.781 1.00 0.45 H new ATOM 0 HD1 PHE A 84 1.199 -4.083 5.088 1.00 0.46 H new ATOM 0 HD2 PHE A 84 4.751 -3.000 2.997 1.00 0.40 H new ATOM 0 HE1 PHE A 84 -0.027 -4.166 2.958 1.00 0.46 H new ATOM 0 HE2 PHE A 84 3.529 -3.086 0.872 1.00 0.41 H new ATOM 0 HZ PHE A 84 1.158 -3.685 0.836 1.00 0.42 H new ATOM 1334 N LYS A 85 4.527 -2.010 8.333 1.00 0.43 N ATOM 1335 CA LYS A 85 5.297 -2.052 9.573 1.00 0.47 C ATOM 1336 C LYS A 85 4.396 -2.365 10.767 1.00 0.48 C ATOM 1337 O LYS A 85 4.839 -2.959 11.751 1.00 0.51 O ATOM 1338 CB LYS A 85 6.017 -0.721 9.799 1.00 0.56 C ATOM 1339 CG LYS A 85 7.260 -0.550 8.942 1.00 0.83 C ATOM 1340 CD LYS A 85 8.453 -1.281 9.536 1.00 0.64 C ATOM 1341 CE LYS A 85 9.455 -0.310 10.140 1.00 1.03 C ATOM 1342 NZ LYS A 85 10.447 -1.004 11.007 1.00 1.59 N ATOM 0 H LYS A 85 4.639 -1.150 7.797 1.00 0.43 H new ATOM 0 HA LYS A 85 6.037 -2.847 9.482 1.00 0.47 H new ATOM 0 HB2 LYS A 85 5.327 0.096 9.590 1.00 0.56 H new ATOM 0 HB3 LYS A 85 6.296 -0.642 10.850 1.00 0.56 H new ATOM 0 HG2 LYS A 85 7.065 -0.926 7.938 1.00 0.83 H new ATOM 0 HG3 LYS A 85 7.493 0.510 8.845 1.00 0.83 H new ATOM 0 HD2 LYS A 85 8.111 -1.976 10.302 1.00 0.64 H new ATOM 0 HD3 LYS A 85 8.940 -1.874 8.762 1.00 0.64 H new ATOM 0 HE2 LYS A 85 9.977 0.217 9.341 1.00 1.03 H new ATOM 0 HE3 LYS A 85 8.925 0.442 10.725 1.00 1.03 H new ATOM 0 HZ1 LYS A 85 11.112 -0.308 11.400 1.00 1.59 H new ATOM 0 HZ2 LYS A 85 9.952 -1.486 11.784 1.00 1.59 H new ATOM 0 HZ3 LYS A 85 10.971 -1.704 10.444 1.00 1.59 H new ATOM 1356 N LYS A 86 3.134 -1.959 10.671 1.00 0.52 N ATOM 1357 CA LYS A 86 2.166 -2.192 11.739 1.00 0.59 C ATOM 1358 C LYS A 86 2.008 -3.683 12.024 1.00 0.61 C ATOM 1359 O LYS A 86 2.163 -4.127 13.163 1.00 0.69 O ATOM 1360 CB LYS A 86 0.811 -1.588 11.364 1.00 0.71 C ATOM 1361 CG LYS A 86 -0.056 -1.245 12.566 1.00 1.05 C ATOM 1362 CD LYS A 86 -1.467 -0.870 12.144 1.00 1.31 C ATOM 1363 CE LYS A 86 -2.510 -1.636 12.944 1.00 1.84 C ATOM 1364 NZ LYS A 86 -2.441 -1.316 14.396 1.00 2.31 N ATOM 0 H LYS A 86 2.756 -1.465 9.862 1.00 0.52 H new ATOM 0 HA LYS A 86 2.539 -1.709 12.642 1.00 0.59 H new ATOM 0 HB2 LYS A 86 0.975 -0.685 10.776 1.00 0.71 H new ATOM 0 HB3 LYS A 86 0.273 -2.290 10.727 1.00 0.71 H new ATOM 0 HG2 LYS A 86 -0.092 -2.097 13.245 1.00 1.05 H new ATOM 0 HG3 LYS A 86 0.393 -0.418 13.116 1.00 1.05 H new ATOM 0 HD2 LYS A 86 -1.616 0.201 12.281 1.00 1.31 H new ATOM 0 HD3 LYS A 86 -1.597 -1.077 11.082 1.00 1.31 H new ATOM 0 HE2 LYS A 86 -3.504 -1.397 12.567 1.00 1.84 H new ATOM 0 HE3 LYS A 86 -2.363 -2.707 12.801 1.00 1.84 H new ATOM 0 HZ1 LYS A 86 -3.258 -1.736 14.883 1.00 2.31 H new ATOM 0 HZ2 LYS A 86 -1.563 -1.704 14.796 1.00 2.31 H new ATOM 0 HZ3 LYS A 86 -2.454 -0.284 14.525 1.00 2.31 H new ATOM 1378 N LEU A 87 1.697 -4.451 10.985 1.00 0.61 N ATOM 1379 CA LEU A 87 1.512 -5.892 11.123 1.00 0.70 C ATOM 1380 C LEU A 87 2.810 -6.642 10.849 1.00 0.63 C ATOM 1381 O LEU A 87 2.869 -7.865 10.985 1.00 0.74 O ATOM 1382 CB LEU A 87 0.422 -6.378 10.163 1.00 0.80 C ATOM 1383 CG LEU A 87 -0.824 -6.959 10.833 1.00 1.04 C ATOM 1384 CD1 LEU A 87 -1.552 -5.886 11.630 1.00 1.57 C ATOM 1385 CD2 LEU A 87 -1.750 -7.570 9.792 1.00 1.46 C ATOM 0 H LEU A 87 1.567 -4.099 10.036 1.00 0.61 H new ATOM 0 HA LEU A 87 1.208 -6.095 12.150 1.00 0.70 H new ATOM 0 HB2 LEU A 87 0.119 -5.544 9.530 1.00 0.80 H new ATOM 0 HB3 LEU A 87 0.850 -7.137 9.507 1.00 0.80 H new ATOM 0 HG LEU A 87 -0.511 -7.744 11.521 1.00 1.04 H new ATOM 0 HD11 LEU A 87 -2.436 -6.318 12.099 1.00 1.57 H new ATOM 0 HD12 LEU A 87 -0.889 -5.491 12.400 1.00 1.57 H new ATOM 0 HD13 LEU A 87 -1.854 -5.079 10.963 1.00 1.57 H new ATOM 0 HD21 LEU A 87 -2.632 -7.979 10.285 1.00 1.46 H new ATOM 0 HD22 LEU A 87 -2.055 -6.802 9.081 1.00 1.46 H new ATOM 0 HD23 LEU A 87 -1.227 -8.367 9.263 1.00 1.46 H new ATOM 1397 N LYS A 88 3.849 -5.903 10.469 1.00 0.52 N ATOM 1398 CA LYS A 88 5.146 -6.501 10.166 1.00 0.53 C ATOM 1399 C LYS A 88 4.987 -7.639 9.164 1.00 0.51 C ATOM 1400 O LYS A 88 5.193 -8.808 9.497 1.00 0.56 O ATOM 1401 CB LYS A 88 5.806 -7.013 11.449 1.00 0.69 C ATOM 1402 CG LYS A 88 6.666 -5.972 12.148 1.00 1.16 C ATOM 1403 CD LYS A 88 6.620 -6.135 13.658 1.00 1.45 C ATOM 1404 CE LYS A 88 5.658 -5.145 14.297 1.00 2.05 C ATOM 1405 NZ LYS A 88 6.105 -4.734 15.656 1.00 2.87 N ATOM 0 H LYS A 88 3.818 -4.889 10.364 1.00 0.52 H new ATOM 0 HA LYS A 88 5.785 -5.737 9.724 1.00 0.53 H new ATOM 0 HB2 LYS A 88 5.031 -7.352 12.136 1.00 0.69 H new ATOM 0 HB3 LYS A 88 6.422 -7.880 11.210 1.00 0.69 H new ATOM 0 HG2 LYS A 88 7.696 -6.058 11.803 1.00 1.16 H new ATOM 0 HG3 LYS A 88 6.322 -4.974 11.878 1.00 1.16 H new ATOM 0 HD2 LYS A 88 6.315 -7.152 13.906 1.00 1.45 H new ATOM 0 HD3 LYS A 88 7.619 -5.992 14.071 1.00 1.45 H new ATOM 0 HE2 LYS A 88 5.570 -4.263 13.662 1.00 2.05 H new ATOM 0 HE3 LYS A 88 4.666 -5.593 14.361 1.00 2.05 H new ATOM 0 HZ1 LYS A 88 5.422 -4.059 16.057 1.00 2.87 H new ATOM 0 HZ2 LYS A 88 6.165 -5.571 16.270 1.00 2.87 H new ATOM 0 HZ3 LYS A 88 7.040 -4.284 15.592 1.00 2.87 H new ATOM 1419 N LEU A 89 4.618 -7.290 7.935 1.00 0.47 N ATOM 1420 CA LEU A 89 4.416 -8.286 6.889 1.00 0.46 C ATOM 1421 C LEU A 89 5.705 -8.540 6.111 1.00 0.45 C ATOM 1422 O LEU A 89 5.938 -7.936 5.064 1.00 0.43 O ATOM 1423 CB LEU A 89 3.307 -7.844 5.933 1.00 0.48 C ATOM 1424 CG LEU A 89 1.954 -7.579 6.593 1.00 0.78 C ATOM 1425 CD1 LEU A 89 1.960 -6.224 7.264 1.00 1.25 C ATOM 1426 CD2 LEU A 89 0.833 -7.670 5.569 1.00 1.31 C ATOM 0 H LEU A 89 4.453 -6.328 7.640 1.00 0.47 H new ATOM 0 HA LEU A 89 4.118 -9.217 7.371 1.00 0.46 H new ATOM 0 HB2 LEU A 89 3.629 -6.937 5.421 1.00 0.48 H new ATOM 0 HB3 LEU A 89 3.178 -8.612 5.170 1.00 0.48 H new ATOM 0 HG LEU A 89 1.779 -8.341 7.353 1.00 0.78 H new ATOM 0 HD11 LEU A 89 0.992 -6.045 7.731 1.00 1.25 H new ATOM 0 HD12 LEU A 89 2.740 -6.198 8.025 1.00 1.25 H new ATOM 0 HD13 LEU A 89 2.153 -5.451 6.520 1.00 1.25 H new ATOM 0 HD21 LEU A 89 -0.122 -7.478 6.057 1.00 1.31 H new ATOM 0 HD22 LEU A 89 0.995 -6.930 4.786 1.00 1.31 H new ATOM 0 HD23 LEU A 89 0.822 -8.667 5.129 1.00 1.31 H new ATOM 1438 N HIS A 90 6.539 -9.434 6.633 1.00 0.55 N ATOM 1439 CA HIS A 90 7.807 -9.772 5.992 1.00 0.64 C ATOM 1440 C HIS A 90 7.602 -10.213 4.545 1.00 0.60 C ATOM 1441 O HIS A 90 8.409 -9.897 3.670 1.00 0.69 O ATOM 1442 CB HIS A 90 8.514 -10.880 6.774 1.00 0.81 C ATOM 1443 CG HIS A 90 9.665 -10.393 7.599 1.00 0.97 C ATOM 1444 ND1 HIS A 90 10.974 -10.750 7.353 1.00 1.62 N ATOM 1445 CD2 HIS A 90 9.698 -9.571 8.674 1.00 0.98 C ATOM 1446 CE1 HIS A 90 11.761 -10.171 8.242 1.00 1.84 C ATOM 1447 NE2 HIS A 90 11.012 -9.450 9.054 1.00 1.38 N ATOM 0 H HIS A 90 6.359 -9.939 7.501 1.00 0.55 H new ATOM 0 HA HIS A 90 8.427 -8.875 5.989 1.00 0.64 H new ATOM 0 HB2 HIS A 90 7.792 -11.370 7.427 1.00 0.81 H new ATOM 0 HB3 HIS A 90 8.873 -11.634 6.074 1.00 0.81 H new ATOM 0 HD2 HIS A 90 8.849 -9.098 9.145 1.00 0.98 H new ATOM 0 HE1 HIS A 90 12.835 -10.271 8.295 1.00 1.84 H new ATOM 0 HE2 HIS A 90 11.354 -8.893 9.837 1.00 1.38 H new ATOM 1456 N ASN A 91 6.517 -10.942 4.300 1.00 0.54 N ATOM 1457 CA ASN A 91 6.212 -11.437 2.961 1.00 0.55 C ATOM 1458 C ASN A 91 5.778 -10.311 2.026 1.00 0.46 C ATOM 1459 O ASN A 91 6.408 -10.073 0.995 1.00 0.45 O ATOM 1460 CB ASN A 91 5.116 -12.503 3.030 1.00 0.63 C ATOM 1461 CG ASN A 91 5.137 -13.435 1.834 1.00 1.13 C ATOM 1462 OD1 ASN A 91 5.620 -13.075 0.760 1.00 1.98 O ATOM 1463 ND2 ASN A 91 4.611 -14.641 2.015 1.00 1.60 N ATOM 0 H ASN A 91 5.834 -11.203 5.011 1.00 0.54 H new ATOM 0 HA ASN A 91 7.125 -11.875 2.558 1.00 0.55 H new ATOM 0 HB2 ASN A 91 5.237 -13.086 3.943 1.00 0.63 H new ATOM 0 HB3 ASN A 91 4.143 -12.016 3.090 1.00 0.63 H new ATOM 0 HD21 ASN A 91 4.596 -15.312 1.247 1.00 1.60 H new ATOM 0 HD22 ASN A 91 4.222 -14.897 2.922 1.00 1.60 H new ATOM 1470 N ALA A 92 4.700 -9.623 2.392 1.00 0.42 N ATOM 1471 CA ALA A 92 4.173 -8.528 1.582 1.00 0.39 C ATOM 1472 C ALA A 92 5.253 -7.503 1.246 1.00 0.36 C ATOM 1473 O ALA A 92 5.229 -6.893 0.177 1.00 0.38 O ATOM 1474 CB ALA A 92 3.012 -7.855 2.299 1.00 0.41 C ATOM 0 H ALA A 92 4.173 -9.805 3.246 1.00 0.42 H new ATOM 0 HA ALA A 92 3.817 -8.952 0.643 1.00 0.39 H new ATOM 0 HB1 ALA A 92 2.628 -7.040 1.685 1.00 0.41 H new ATOM 0 HB2 ALA A 92 2.220 -8.583 2.472 1.00 0.41 H new ATOM 0 HB3 ALA A 92 3.355 -7.458 3.254 1.00 0.41 H new ATOM 1480 N MET A 93 6.195 -7.316 2.163 1.00 0.39 N ATOM 1481 CA MET A 93 7.281 -6.362 1.963 1.00 0.43 C ATOM 1482 C MET A 93 8.105 -6.708 0.725 1.00 0.40 C ATOM 1483 O MET A 93 8.399 -5.842 -0.099 1.00 0.39 O ATOM 1484 CB MET A 93 8.186 -6.328 3.195 1.00 0.55 C ATOM 1485 CG MET A 93 7.768 -5.292 4.226 1.00 0.71 C ATOM 1486 SD MET A 93 8.772 -5.357 5.722 1.00 1.06 S ATOM 1487 CE MET A 93 8.136 -3.943 6.617 1.00 1.29 C ATOM 0 H MET A 93 6.229 -7.813 3.053 1.00 0.39 H new ATOM 0 HA MET A 93 6.837 -5.378 1.812 1.00 0.43 H new ATOM 0 HB2 MET A 93 8.188 -7.313 3.662 1.00 0.55 H new ATOM 0 HB3 MET A 93 9.209 -6.123 2.879 1.00 0.55 H new ATOM 0 HG2 MET A 93 7.842 -4.297 3.786 1.00 0.71 H new ATOM 0 HG3 MET A 93 6.722 -5.448 4.488 1.00 0.71 H new ATOM 0 HE1 MET A 93 8.964 -3.302 6.921 1.00 1.29 H new ATOM 0 HE2 MET A 93 7.458 -3.381 5.975 1.00 1.29 H new ATOM 0 HE3 MET A 93 7.598 -4.284 7.502 1.00 1.29 H new ATOM 1497 N ARG A 94 8.475 -7.980 0.603 1.00 0.44 N ATOM 1498 CA ARG A 94 9.273 -8.446 -0.527 1.00 0.45 C ATOM 1499 C ARG A 94 8.584 -8.159 -1.860 1.00 0.44 C ATOM 1500 O ARG A 94 9.246 -7.993 -2.884 1.00 0.49 O ATOM 1501 CB ARG A 94 9.543 -9.946 -0.398 1.00 0.55 C ATOM 1502 CG ARG A 94 10.249 -10.328 0.893 1.00 1.28 C ATOM 1503 CD ARG A 94 10.908 -11.694 0.783 1.00 1.44 C ATOM 1504 NE ARG A 94 12.278 -11.600 0.285 1.00 1.97 N ATOM 1505 CZ ARG A 94 12.905 -12.590 -0.344 1.00 2.47 C ATOM 1506 NH1 ARG A 94 12.284 -13.742 -0.558 1.00 2.58 N ATOM 1507 NH2 ARG A 94 14.153 -12.427 -0.761 1.00 3.39 N ATOM 0 H ARG A 94 8.234 -8.708 1.275 1.00 0.44 H new ATOM 0 HA ARG A 94 10.217 -7.901 -0.511 1.00 0.45 H new ATOM 0 HB2 ARG A 94 8.597 -10.484 -0.458 1.00 0.55 H new ATOM 0 HB3 ARG A 94 10.149 -10.272 -1.244 1.00 0.55 H new ATOM 0 HG2 ARG A 94 11.002 -9.578 1.133 1.00 1.28 H new ATOM 0 HG3 ARG A 94 9.532 -10.334 1.714 1.00 1.28 H new ATOM 0 HD2 ARG A 94 10.910 -12.176 1.761 1.00 1.44 H new ATOM 0 HD3 ARG A 94 10.322 -12.327 0.116 1.00 1.44 H new ATOM 0 HE ARG A 94 12.783 -10.725 0.428 1.00 1.97 H new ATOM 0 HH11 ARG A 94 11.323 -13.870 -0.240 1.00 2.58 H new ATOM 0 HH12 ARG A 94 12.767 -14.500 -1.041 1.00 2.58 H new ATOM 0 HH21 ARG A 94 14.633 -11.542 -0.599 1.00 3.39 H new ATOM 0 HH22 ARG A 94 14.633 -13.187 -1.243 1.00 3.39 H new ATOM 1521 N LEU A 95 7.258 -8.104 -1.841 1.00 0.44 N ATOM 1522 CA LEU A 95 6.488 -7.849 -3.056 1.00 0.47 C ATOM 1523 C LEU A 95 6.700 -6.425 -3.563 1.00 0.46 C ATOM 1524 O LEU A 95 6.655 -6.174 -4.768 1.00 0.52 O ATOM 1525 CB LEU A 95 5.000 -8.099 -2.805 1.00 0.53 C ATOM 1526 CG LEU A 95 4.547 -9.547 -3.003 1.00 0.55 C ATOM 1527 CD1 LEU A 95 4.245 -10.202 -1.663 1.00 0.79 C ATOM 1528 CD2 LEU A 95 3.329 -9.603 -3.912 1.00 0.67 C ATOM 0 H LEU A 95 6.693 -8.232 -1.001 1.00 0.44 H new ATOM 0 HA LEU A 95 6.843 -8.537 -3.823 1.00 0.47 H new ATOM 0 HB2 LEU A 95 4.763 -7.796 -1.785 1.00 0.53 H new ATOM 0 HB3 LEU A 95 4.422 -7.459 -3.471 1.00 0.53 H new ATOM 0 HG LEU A 95 5.358 -10.099 -3.478 1.00 0.55 H new ATOM 0 HD11 LEU A 95 3.924 -11.231 -1.825 1.00 0.79 H new ATOM 0 HD12 LEU A 95 5.142 -10.195 -1.044 1.00 0.79 H new ATOM 0 HD13 LEU A 95 3.452 -9.650 -1.159 1.00 0.79 H new ATOM 0 HD21 LEU A 95 3.020 -10.640 -4.042 1.00 0.67 H new ATOM 0 HD22 LEU A 95 2.514 -9.035 -3.464 1.00 0.67 H new ATOM 0 HD23 LEU A 95 3.579 -9.174 -4.882 1.00 0.67 H new ATOM 1540 N ILE A 96 6.930 -5.493 -2.642 1.00 0.43 N ATOM 1541 CA ILE A 96 7.144 -4.096 -3.007 1.00 0.50 C ATOM 1542 C ILE A 96 8.462 -3.570 -2.444 1.00 0.61 C ATOM 1543 O ILE A 96 8.488 -2.576 -1.718 1.00 1.29 O ATOM 1544 CB ILE A 96 5.990 -3.201 -2.512 1.00 0.58 C ATOM 1545 CG1 ILE A 96 5.666 -3.509 -1.050 1.00 0.52 C ATOM 1546 CG2 ILE A 96 4.758 -3.392 -3.385 1.00 0.76 C ATOM 1547 CD1 ILE A 96 5.833 -2.318 -0.132 1.00 0.48 C ATOM 0 H ILE A 96 6.973 -5.679 -1.640 1.00 0.43 H new ATOM 0 HA ILE A 96 7.181 -4.059 -4.096 1.00 0.50 H new ATOM 0 HB ILE A 96 6.303 -2.159 -2.583 1.00 0.58 H new ATOM 0 HG12 ILE A 96 4.640 -3.870 -0.982 1.00 0.52 H new ATOM 0 HG13 ILE A 96 6.311 -4.317 -0.705 1.00 0.52 H new ATOM 0 HG21 ILE A 96 3.953 -2.753 -3.022 1.00 0.76 H new ATOM 0 HG22 ILE A 96 4.997 -3.126 -4.415 1.00 0.76 H new ATOM 0 HG23 ILE A 96 4.441 -4.434 -3.344 1.00 0.76 H new ATOM 0 HD11 ILE A 96 5.587 -2.608 0.889 1.00 0.48 H new ATOM 0 HD12 ILE A 96 6.865 -1.970 -0.171 1.00 0.48 H new ATOM 0 HD13 ILE A 96 5.168 -1.516 -0.452 1.00 0.48 H new ATOM 1559 N LYS A 97 9.556 -4.241 -2.787 1.00 0.66 N ATOM 1560 CA LYS A 97 10.877 -3.837 -2.317 1.00 0.66 C ATOM 1561 C LYS A 97 11.586 -2.986 -3.365 1.00 0.82 C ATOM 1562 O LYS A 97 12.182 -1.957 -3.048 1.00 1.43 O ATOM 1563 CB LYS A 97 11.723 -5.067 -1.985 1.00 0.74 C ATOM 1564 CG LYS A 97 11.529 -5.573 -0.565 1.00 1.33 C ATOM 1565 CD LYS A 97 12.675 -5.150 0.338 1.00 1.77 C ATOM 1566 CE LYS A 97 12.337 -5.370 1.804 1.00 2.29 C ATOM 1567 NZ LYS A 97 12.081 -6.805 2.105 1.00 2.85 N ATOM 0 H LYS A 97 9.555 -5.065 -3.388 1.00 0.66 H new ATOM 0 HA LYS A 97 10.748 -3.241 -1.414 1.00 0.66 H new ATOM 0 HB2 LYS A 97 11.477 -5.867 -2.684 1.00 0.74 H new ATOM 0 HB3 LYS A 97 12.775 -4.825 -2.135 1.00 0.74 H new ATOM 0 HG2 LYS A 97 10.590 -5.190 -0.166 1.00 1.33 H new ATOM 0 HG3 LYS A 97 11.452 -6.660 -0.572 1.00 1.33 H new ATOM 0 HD2 LYS A 97 13.571 -5.716 0.081 1.00 1.77 H new ATOM 0 HD3 LYS A 97 12.903 -4.098 0.170 1.00 1.77 H new ATOM 0 HE2 LYS A 97 13.158 -5.010 2.424 1.00 2.29 H new ATOM 0 HE3 LYS A 97 11.458 -4.782 2.066 1.00 2.29 H new ATOM 0 HZ1 LYS A 97 12.415 -7.023 3.066 1.00 2.85 H new ATOM 0 HZ2 LYS A 97 11.061 -6.996 2.041 1.00 2.85 H new ATOM 0 HZ3 LYS A 97 12.589 -7.400 1.419 1.00 2.85 H new ATOM 1581 N ASP A 98 11.521 -3.427 -4.617 1.00 0.74 N ATOM 1582 CA ASP A 98 12.151 -2.709 -5.720 1.00 0.85 C ATOM 1583 C ASP A 98 11.463 -1.369 -5.977 1.00 0.73 C ATOM 1584 O ASP A 98 11.846 -0.633 -6.887 1.00 0.84 O ATOM 1585 CB ASP A 98 12.119 -3.561 -6.991 1.00 1.04 C ATOM 1586 CG ASP A 98 13.509 -3.906 -7.489 1.00 1.30 C ATOM 1587 OD1 ASP A 98 14.191 -3.005 -8.018 1.00 1.64 O ATOM 1588 OD2 ASP A 98 13.913 -5.081 -7.353 1.00 1.63 O ATOM 0 H ASP A 98 11.037 -4.281 -4.894 1.00 0.74 H new ATOM 0 HA ASP A 98 13.186 -2.512 -5.442 1.00 0.85 H new ATOM 0 HB2 ASP A 98 11.567 -4.480 -6.795 1.00 1.04 H new ATOM 0 HB3 ASP A 98 11.579 -3.025 -7.771 1.00 1.04 H new ATOM 1593 N TYR A 99 10.449 -1.057 -5.173 1.00 0.60 N ATOM 1594 CA TYR A 99 9.711 0.193 -5.324 1.00 0.64 C ATOM 1595 C TYR A 99 10.059 1.183 -4.216 1.00 0.78 C ATOM 1596 O TYR A 99 9.842 2.386 -4.360 1.00 1.08 O ATOM 1597 CB TYR A 99 8.206 -0.080 -5.327 1.00 0.63 C ATOM 1598 CG TYR A 99 7.769 -1.046 -6.408 1.00 0.65 C ATOM 1599 CD1 TYR A 99 7.747 -2.416 -6.176 1.00 0.75 C ATOM 1600 CD2 TYR A 99 7.380 -0.587 -7.660 1.00 0.74 C ATOM 1601 CE1 TYR A 99 7.350 -3.300 -7.161 1.00 0.92 C ATOM 1602 CE2 TYR A 99 6.981 -1.464 -8.650 1.00 0.84 C ATOM 1603 CZ TYR A 99 6.968 -2.820 -8.395 1.00 0.93 C ATOM 1604 OH TYR A 99 6.572 -3.698 -9.378 1.00 1.13 O ATOM 0 H TYR A 99 10.121 -1.652 -4.412 1.00 0.60 H new ATOM 0 HA TYR A 99 9.999 0.638 -6.277 1.00 0.64 H new ATOM 0 HB2 TYR A 99 7.915 -0.479 -4.355 1.00 0.63 H new ATOM 0 HB3 TYR A 99 7.674 0.863 -5.457 1.00 0.63 H new ATOM 0 HD1 TYR A 99 8.045 -2.796 -5.210 1.00 0.75 H new ATOM 0 HD2 TYR A 99 7.390 0.474 -7.863 1.00 0.74 H new ATOM 0 HE1 TYR A 99 7.339 -4.362 -6.965 1.00 0.92 H new ATOM 0 HE2 TYR A 99 6.681 -1.090 -9.618 1.00 0.84 H new ATOM 0 HH TYR A 99 6.244 -3.195 -10.153 1.00 1.13 H new ATOM 1614 N VAL A 100 10.598 0.675 -3.111 1.00 0.68 N ATOM 1615 CA VAL A 100 10.974 1.527 -1.986 1.00 0.84 C ATOM 1616 C VAL A 100 12.462 1.861 -2.029 1.00 1.12 C ATOM 1617 O VAL A 100 13.178 1.432 -2.934 1.00 1.37 O ATOM 1618 CB VAL A 100 10.639 0.869 -0.630 1.00 0.72 C ATOM 1619 CG1 VAL A 100 9.150 0.976 -0.341 1.00 0.99 C ATOM 1620 CG2 VAL A 100 11.091 -0.583 -0.611 1.00 0.84 C ATOM 0 H VAL A 100 10.784 -0.318 -2.970 1.00 0.68 H new ATOM 0 HA VAL A 100 10.393 2.444 -2.079 1.00 0.84 H new ATOM 0 HB VAL A 100 11.179 1.401 0.154 1.00 0.72 H new ATOM 0 HG11 VAL A 100 8.931 0.507 0.618 1.00 0.99 H new ATOM 0 HG12 VAL A 100 8.861 2.026 -0.306 1.00 0.99 H new ATOM 0 HG13 VAL A 100 8.589 0.471 -1.128 1.00 0.99 H new ATOM 0 HG21 VAL A 100 10.846 -1.028 0.353 1.00 0.84 H new ATOM 0 HG22 VAL A 100 10.584 -1.132 -1.404 1.00 0.84 H new ATOM 0 HG23 VAL A 100 12.168 -0.631 -0.769 1.00 0.84 H new ATOM 1630 N SER A 101 12.919 2.635 -1.047 1.00 1.24 N ATOM 1631 CA SER A 101 14.321 3.035 -0.972 1.00 1.56 C ATOM 1632 C SER A 101 15.243 1.820 -1.018 1.00 1.20 C ATOM 1633 O SER A 101 14.907 0.754 -0.506 1.00 1.50 O ATOM 1634 CB SER A 101 14.574 3.833 0.309 1.00 2.21 C ATOM 1635 OG SER A 101 14.112 5.167 0.181 1.00 2.53 O ATOM 0 H SER A 101 12.337 2.998 -0.292 1.00 1.24 H new ATOM 0 HA SER A 101 14.539 3.663 -1.836 1.00 1.56 H new ATOM 0 HB2 SER A 101 14.071 3.350 1.147 1.00 2.21 H new ATOM 0 HB3 SER A 101 15.640 3.835 0.535 1.00 2.21 H new ATOM 0 HG SER A 101 14.413 5.693 0.952 1.00 2.53 H new ATOM 1641 N GLU A 102 16.407 1.990 -1.638 1.00 1.32 N ATOM 1642 CA GLU A 102 17.377 0.907 -1.748 1.00 1.81 C ATOM 1643 C GLU A 102 18.195 0.784 -0.467 1.00 1.95 C ATOM 1644 O GLU A 102 18.948 -0.172 -0.288 1.00 2.25 O ATOM 1645 CB GLU A 102 18.305 1.140 -2.942 1.00 2.43 C ATOM 1646 CG GLU A 102 19.026 2.477 -2.903 1.00 3.30 C ATOM 1647 CD GLU A 102 20.205 2.530 -3.853 1.00 3.82 C ATOM 1648 OE1 GLU A 102 21.067 1.629 -3.781 1.00 4.07 O ATOM 1649 OE2 GLU A 102 20.267 3.474 -4.669 1.00 4.26 O ATOM 0 H GLU A 102 16.700 2.866 -2.071 1.00 1.32 H new ATOM 0 HA GLU A 102 16.831 -0.024 -1.902 1.00 1.81 H new ATOM 0 HB2 GLU A 102 19.044 0.340 -2.978 1.00 2.43 H new ATOM 0 HB3 GLU A 102 17.723 1.078 -3.861 1.00 2.43 H new ATOM 0 HG2 GLU A 102 18.324 3.272 -3.156 1.00 3.30 H new ATOM 0 HG3 GLU A 102 19.373 2.669 -1.888 1.00 3.30 H new ATOM 1656 N ASP A 103 18.041 1.762 0.422 1.00 1.90 N ATOM 1657 CA ASP A 103 18.764 1.765 1.690 1.00 2.17 C ATOM 1658 C ASP A 103 18.290 0.626 2.588 1.00 1.97 C ATOM 1659 O ASP A 103 18.927 0.307 3.590 1.00 2.18 O ATOM 1660 CB ASP A 103 18.581 3.110 2.402 1.00 2.39 C ATOM 1661 CG ASP A 103 17.551 3.050 3.513 1.00 2.79 C ATOM 1662 OD1 ASP A 103 16.342 3.093 3.204 1.00 3.12 O ATOM 1663 OD2 ASP A 103 17.953 2.958 4.692 1.00 3.15 O ATOM 0 H ASP A 103 17.422 2.562 0.288 1.00 1.90 H new ATOM 0 HA ASP A 103 19.823 1.617 1.479 1.00 2.17 H new ATOM 0 HB2 ASP A 103 19.537 3.430 2.816 1.00 2.39 H new ATOM 0 HB3 ASP A 103 18.280 3.864 1.674 1.00 2.39 H new ATOM 1668 N LEU A 104 17.168 0.016 2.217 1.00 1.66 N ATOM 1669 CA LEU A 104 16.608 -1.088 2.988 1.00 1.57 C ATOM 1670 C LEU A 104 17.270 -2.407 2.604 1.00 1.70 C ATOM 1671 O LEU A 104 17.198 -3.385 3.346 1.00 1.91 O ATOM 1672 CB LEU A 104 15.097 -1.176 2.767 1.00 1.43 C ATOM 1673 CG LEU A 104 14.307 0.064 3.193 1.00 1.27 C ATOM 1674 CD1 LEU A 104 13.342 0.490 2.098 1.00 1.68 C ATOM 1675 CD2 LEU A 104 13.558 -0.201 4.489 1.00 1.73 C ATOM 0 H LEU A 104 16.630 0.268 1.388 1.00 1.66 H new ATOM 0 HA LEU A 104 16.802 -0.899 4.044 1.00 1.57 H new ATOM 0 HB2 LEU A 104 14.910 -1.362 1.709 1.00 1.43 H new ATOM 0 HB3 LEU A 104 14.715 -2.038 3.314 1.00 1.43 H new ATOM 0 HG LEU A 104 15.013 0.877 3.362 1.00 1.27 H new ATOM 0 HD11 LEU A 104 12.791 1.373 2.422 1.00 1.68 H new ATOM 0 HD12 LEU A 104 13.900 0.723 1.191 1.00 1.68 H new ATOM 0 HD13 LEU A 104 12.642 -0.320 1.895 1.00 1.68 H new ATOM 0 HD21 LEU A 104 13.002 0.691 4.777 1.00 1.73 H new ATOM 0 HD22 LEU A 104 12.865 -1.030 4.346 1.00 1.73 H new ATOM 0 HD23 LEU A 104 14.269 -0.455 5.275 1.00 1.73 H new ATOM 1687 N HIS A 105 17.914 -2.425 1.441 1.00 1.83 N ATOM 1688 CA HIS A 105 18.592 -3.623 0.960 1.00 2.15 C ATOM 1689 C HIS A 105 19.796 -3.949 1.839 1.00 2.44 C ATOM 1690 O HIS A 105 20.928 -3.584 1.519 1.00 2.79 O ATOM 1691 CB HIS A 105 19.038 -3.433 -0.491 1.00 2.42 C ATOM 1692 CG HIS A 105 18.029 -3.899 -1.492 1.00 2.36 C ATOM 1693 ND1 HIS A 105 17.600 -5.208 -1.577 1.00 2.91 N ATOM 1694 CD2 HIS A 105 17.358 -3.223 -2.457 1.00 2.29 C ATOM 1695 CE1 HIS A 105 16.712 -5.316 -2.548 1.00 3.15 C ATOM 1696 NE2 HIS A 105 16.548 -4.127 -3.097 1.00 2.81 N ATOM 0 H HIS A 105 17.980 -1.623 0.814 1.00 1.83 H new ATOM 0 HA HIS A 105 17.891 -4.456 1.008 1.00 2.15 H new ATOM 0 HB2 HIS A 105 19.248 -2.377 -0.663 1.00 2.42 H new ATOM 0 HB3 HIS A 105 19.971 -3.973 -0.649 1.00 2.42 H new ATOM 0 HD2 HIS A 105 17.445 -2.170 -2.680 1.00 2.29 H new ATOM 0 HE1 HIS A 105 16.206 -6.223 -2.843 1.00 3.15 H new ATOM 0 HE2 HIS A 105 15.920 -3.914 -3.872 1.00 2.81 H new ATOM 1705 N LYS A 106 19.544 -4.639 2.947 1.00 2.38 N ATOM 1706 CA LYS A 106 20.605 -5.010 3.875 1.00 2.72 C ATOM 1707 C LYS A 106 20.128 -6.085 4.847 1.00 2.73 C ATOM 1708 O LYS A 106 20.848 -7.041 5.135 1.00 3.11 O ATOM 1709 CB LYS A 106 21.081 -3.780 4.651 1.00 2.83 C ATOM 1710 CG LYS A 106 19.948 -2.968 5.262 1.00 2.56 C ATOM 1711 CD LYS A 106 19.794 -3.257 6.746 1.00 2.86 C ATOM 1712 CE LYS A 106 20.511 -2.219 7.593 1.00 3.00 C ATOM 1713 NZ LYS A 106 19.843 -0.890 7.527 1.00 3.43 N ATOM 0 H LYS A 106 18.614 -4.952 3.224 1.00 2.38 H new ATOM 0 HA LYS A 106 21.436 -5.413 3.297 1.00 2.72 H new ATOM 0 HB2 LYS A 106 21.756 -4.100 5.445 1.00 2.83 H new ATOM 0 HB3 LYS A 106 21.656 -3.139 3.983 1.00 2.83 H new ATOM 0 HG2 LYS A 106 20.140 -1.905 5.115 1.00 2.56 H new ATOM 0 HG3 LYS A 106 19.015 -3.197 4.747 1.00 2.56 H new ATOM 0 HD2 LYS A 106 18.736 -3.273 7.007 1.00 2.86 H new ATOM 0 HD3 LYS A 106 20.192 -4.247 6.968 1.00 2.86 H new ATOM 0 HE2 LYS A 106 20.546 -2.557 8.629 1.00 3.00 H new ATOM 0 HE3 LYS A 106 21.543 -2.124 7.254 1.00 3.00 H new ATOM 0 HZ1 LYS A 106 20.105 -0.328 8.362 1.00 3.43 H new ATOM 0 HZ2 LYS A 106 20.146 -0.392 6.666 1.00 3.43 H new ATOM 0 HZ3 LYS A 106 18.811 -1.021 7.507 1.00 3.43 H new ATOM 1727 N TYR A 107 18.908 -5.918 5.349 1.00 2.40 N ATOM 1728 CA TYR A 107 18.326 -6.865 6.293 1.00 2.46 C ATOM 1729 C TYR A 107 17.548 -7.945 5.550 1.00 2.35 C ATOM 1730 O TYR A 107 17.136 -8.945 6.139 1.00 2.42 O ATOM 1731 CB TYR A 107 17.401 -6.137 7.270 1.00 2.46 C ATOM 1732 CG TYR A 107 16.149 -5.594 6.617 1.00 2.20 C ATOM 1733 CD1 TYR A 107 16.124 -4.313 6.080 1.00 2.03 C ATOM 1734 CD2 TYR A 107 14.994 -6.359 6.548 1.00 2.20 C ATOM 1735 CE1 TYR A 107 14.981 -3.809 5.492 1.00 1.88 C ATOM 1736 CE2 TYR A 107 13.846 -5.863 5.962 1.00 2.07 C ATOM 1737 CZ TYR A 107 13.856 -4.602 5.401 1.00 1.92 C ATOM 1738 OH TYR A 107 12.703 -4.091 4.851 1.00 1.91 O ATOM 0 H TYR A 107 18.301 -5.132 5.116 1.00 2.40 H new ATOM 0 HA TYR A 107 19.134 -7.335 6.853 1.00 2.46 H new ATOM 0 HB2 TYR A 107 17.118 -6.821 8.070 1.00 2.46 H new ATOM 0 HB3 TYR A 107 17.947 -5.315 7.732 1.00 2.46 H new ATOM 0 HD1 TYR A 107 17.013 -3.701 6.123 1.00 2.03 H new ATOM 0 HD2 TYR A 107 14.992 -7.358 6.959 1.00 2.20 H new ATOM 0 HE1 TYR A 107 14.968 -2.800 5.106 1.00 1.88 H new ATOM 0 HE2 TYR A 107 12.945 -6.459 5.943 1.00 2.07 H new ATOM 0 HH TYR A 107 12.004 -4.778 4.860 1.00 1.91 H new ATOM 1748 N ILE A 108 17.349 -7.725 4.254 1.00 2.27 N ATOM 1749 CA ILE A 108 16.616 -8.663 3.418 1.00 2.27 C ATOM 1750 C ILE A 108 17.166 -10.084 3.578 1.00 2.49 C ATOM 1751 O ILE A 108 18.350 -10.325 3.343 1.00 2.67 O ATOM 1752 CB ILE A 108 16.676 -8.237 1.932 1.00 2.29 C ATOM 1753 CG1 ILE A 108 15.541 -7.261 1.613 1.00 2.08 C ATOM 1754 CG2 ILE A 108 16.606 -9.447 1.012 1.00 2.59 C ATOM 1755 CD1 ILE A 108 15.832 -5.837 2.032 1.00 1.86 C ATOM 0 H ILE A 108 17.688 -6.900 3.760 1.00 2.27 H new ATOM 0 HA ILE A 108 15.576 -8.655 3.743 1.00 2.27 H new ATOM 0 HB ILE A 108 17.630 -7.737 1.762 1.00 2.29 H new ATOM 0 HG12 ILE A 108 15.345 -7.283 0.541 1.00 2.08 H new ATOM 0 HG13 ILE A 108 14.632 -7.599 2.110 1.00 2.08 H new ATOM 0 HG21 ILE A 108 16.650 -9.118 -0.026 1.00 2.59 H new ATOM 0 HG22 ILE A 108 17.446 -10.110 1.218 1.00 2.59 H new ATOM 0 HG23 ILE A 108 15.671 -9.981 1.184 1.00 2.59 H new ATOM 0 HD11 ILE A 108 14.984 -5.202 1.775 1.00 1.86 H new ATOM 0 HD12 ILE A 108 15.999 -5.801 3.109 1.00 1.86 H new ATOM 0 HD13 ILE A 108 16.723 -5.480 1.515 1.00 1.86 H new ATOM 1767 N PRO A 109 16.310 -11.043 3.986 1.00 2.54 N ATOM 1768 CA PRO A 109 16.724 -12.434 4.178 1.00 2.77 C ATOM 1769 C PRO A 109 16.862 -13.187 2.859 1.00 3.02 C ATOM 1770 O PRO A 109 16.558 -12.652 1.792 1.00 3.11 O ATOM 1771 CB PRO A 109 15.592 -13.022 5.017 1.00 2.80 C ATOM 1772 CG PRO A 109 14.388 -12.231 4.637 1.00 2.70 C ATOM 1773 CD PRO A 109 14.876 -10.848 4.290 1.00 2.48 C ATOM 0 HA PRO A 109 17.705 -12.509 4.647 1.00 2.77 H new ATOM 0 HB2 PRO A 109 15.452 -14.082 4.806 1.00 2.80 H new ATOM 0 HB3 PRO A 109 15.803 -12.935 6.083 1.00 2.80 H new ATOM 0 HG2 PRO A 109 13.877 -12.686 3.789 1.00 2.70 H new ATOM 0 HG3 PRO A 109 13.672 -12.195 5.458 1.00 2.70 H new ATOM 0 HD2 PRO A 109 14.339 -10.437 3.435 1.00 2.48 H new ATOM 0 HD3 PRO A 109 14.734 -10.154 5.119 1.00 2.48 H new ATOM 1781 N ARG A 110 17.323 -14.431 2.940 1.00 3.26 N ATOM 1782 CA ARG A 110 17.503 -15.262 1.755 1.00 3.61 C ATOM 1783 C ARG A 110 16.180 -15.884 1.320 1.00 3.87 C ATOM 1784 O ARG A 110 15.994 -16.087 0.101 1.00 4.38 O ATOM 1785 CB ARG A 110 18.532 -16.361 2.028 1.00 4.21 C ATOM 1786 CG ARG A 110 19.621 -16.451 0.971 1.00 4.62 C ATOM 1787 CD ARG A 110 21.001 -16.554 1.602 1.00 5.34 C ATOM 1788 NE ARG A 110 21.071 -17.620 2.598 1.00 5.83 N ATOM 1789 CZ ARG A 110 21.838 -18.699 2.473 1.00 6.55 C ATOM 1790 NH1 ARG A 110 22.599 -18.856 1.398 1.00 6.84 N ATOM 1791 NH2 ARG A 110 21.845 -19.624 3.425 1.00 7.27 N ATOM 1792 OXT ARG A 110 15.342 -16.165 2.202 1.00 4.05 O ATOM 0 H ARG A 110 17.579 -14.887 3.816 1.00 3.26 H new ATOM 0 HA ARG A 110 17.867 -14.626 0.948 1.00 3.61 H new ATOM 0 HB2 ARG A 110 18.994 -16.182 2.999 1.00 4.21 H new ATOM 0 HB3 ARG A 110 18.019 -17.320 2.091 1.00 4.21 H new ATOM 0 HG2 ARG A 110 19.444 -17.320 0.337 1.00 4.62 H new ATOM 0 HG3 ARG A 110 19.578 -15.572 0.327 1.00 4.62 H new ATOM 0 HD2 ARG A 110 21.742 -16.736 0.824 1.00 5.34 H new ATOM 0 HD3 ARG A 110 21.257 -15.604 2.070 1.00 5.34 H new ATOM 0 HE ARG A 110 20.499 -17.532 3.438 1.00 5.83 H new ATOM 0 HH11 ARG A 110 22.597 -18.148 0.664 1.00 6.84 H new ATOM 0 HH12 ARG A 110 23.186 -19.685 1.305 1.00 6.84 H new ATOM 0 HH21 ARG A 110 21.262 -19.508 4.254 1.00 7.27 H new ATOM 0 HH22 ARG A 110 22.434 -20.451 3.328 1.00 7.27 H new TER 1806 ARG A 110