USER MOD reduce.3.24.130724 H: found=0, std=0, add=911, rem=0, adj=24 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 78 GLN : amide:sc= 0 X(o=-0.91,f=-0.91) USER MOD Set 1.2: A 101 SER OG : rot 180:sc= -0.91 USER MOD Set 2.1: A 75 HIS : no HD1:sc= -0.329 X(o=-0.099,f=-0.44) USER MOD Set 2.2: A 79 THR OG1 : rot 174:sc= 0.23 USER MOD Set 3.1: A 25 CYS SG : rot 157:sc= 0.03 USER MOD Set 3.2: A 63 ASN : amide:sc= 0.21 X(o=0.24,f=0.28!) USER MOD Set 4.1: A 47 GLN :FLIP amide:sc= -0.0772 X(o=-0.41,f=-0.29) USER MOD Set 4.2: A 50 GLN :FLIP amide:sc= -0.214 F(o=-1.3,f=-0.29) USER MOD Set 5.1: A 1 GLY N :NH3+ 141:sc=-0.00895 (180deg=-0.0418) USER MOD Set 5.2: A 4 MET CE :methyl -177:sc=-0.000344 (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) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 HIS : no HD1:sc= 0 X(o=0,f=-0.033) USER MOD Single : A 9 ASN : amide:sc= 0 X(o=0,f=-0.4) USER MOD Single : A 10 THR OG1 : rot 180:sc= -0.361 USER MOD Single : A 11 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 23 GLN : amide:sc= -1.93! C(o=-1.9!,f=-3.7!) USER MOD Single : A 27 HIS : no HD1:sc= -0.0362 X(o=-0.036,f=-0.19) USER MOD Single : A 35 GLN : amide:sc= -0.0638 K(o=-0.064,f=-1.7!) USER MOD Single : A 36 GLN :FLIP amide:sc= -0.254 F(o=-1.5,f=-0.25) USER MOD Single : A 39 THR OG1 : rot 85:sc= 1.21 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 52 SER OG : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 54 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 GLN : amide:sc= 0.356 X(o=0.36,f=0) USER MOD Single : A 60 SER OG : rot 180:sc= -0.0411 USER MOD Single : A 62 SER OG : rot 132:sc= 0.405 USER MOD Single : A 67 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 72 GLN : amide:sc= -0.042 K(o=-0.042,f=-1.7!) USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 ASN : amide:sc= -0.0211 X(o=-0.021,f=0) USER MOD Single : A 76 THR OG1 : rot -160:sc= -0.0835 USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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=-0.0095) USER MOD Single : A 91 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 93 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 97 LYS NZ :NH3+ -174:sc= -0.262 (180deg=-0.321) USER MOD Single : A 99 TYR OH : rot 30:sc= 0 USER MOD Single : A 105 HIS : no HE2:sc= -0.671 K(o=-0.67,f=-3.2!) USER MOD Single : A 106 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.0053) USER MOD Single : A 107 TYR OH : rot 150:sc= -0.0768 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 24.595 17.001 -11.274 1.00 14.04 N ATOM 2 CA GLY A 1 23.753 17.881 -12.130 1.00 13.85 C ATOM 3 C GLY A 1 22.527 17.169 -12.669 1.00 13.29 C ATOM 4 O GLY A 1 22.134 17.377 -13.817 1.00 13.45 O ATOM 0 H1 GLY A 1 25.600 17.194 -11.460 1.00 14.04 H new ATOM 0 H2 GLY A 1 24.386 17.188 -10.273 1.00 14.04 H new ATOM 0 H3 GLY A 1 24.388 16.005 -11.491 1.00 14.04 H new ATOM 0 HA2 GLY A 1 23.439 18.751 -11.553 1.00 13.85 H new ATOM 0 HA3 GLY A 1 24.350 18.250 -12.964 1.00 13.85 H new ATOM 10 N SER A 2 21.923 16.324 -11.838 1.00 12.81 N ATOM 11 CA SER A 2 20.733 15.579 -12.236 1.00 12.44 C ATOM 12 C SER A 2 19.741 15.483 -11.082 1.00 11.66 C ATOM 13 O SER A 2 19.945 14.717 -10.140 1.00 11.62 O ATOM 14 CB SER A 2 21.118 14.177 -12.712 1.00 13.00 C ATOM 15 OG SER A 2 22.415 13.822 -12.263 1.00 13.39 O ATOM 0 H SER A 2 22.238 16.138 -10.886 1.00 12.81 H new ATOM 0 HA SER A 2 20.257 16.115 -13.057 1.00 12.44 H new ATOM 0 HB2 SER A 2 20.392 13.453 -12.343 1.00 13.00 H new ATOM 0 HB3 SER A 2 21.084 14.137 -13.801 1.00 13.00 H new ATOM 0 HG SER A 2 22.636 12.921 -12.579 1.00 13.39 H new ATOM 21 N HIS A 3 18.666 16.263 -11.168 1.00 11.24 N ATOM 22 CA HIS A 3 17.633 16.274 -10.135 1.00 10.68 C ATOM 23 C HIS A 3 18.218 16.645 -8.774 1.00 9.83 C ATOM 24 O HIS A 3 18.273 17.822 -8.416 1.00 9.74 O ATOM 25 CB HIS A 3 16.941 14.910 -10.057 1.00 11.22 C ATOM 26 CG HIS A 3 16.453 14.410 -11.382 1.00 11.78 C ATOM 27 ND1 HIS A 3 16.857 13.211 -11.928 1.00 12.09 N ATOM 28 CD2 HIS A 3 15.588 14.953 -12.271 1.00 12.30 C ATOM 29 CE1 HIS A 3 16.263 13.037 -13.095 1.00 12.74 C ATOM 30 NE2 HIS A 3 15.488 14.080 -13.326 1.00 12.87 N ATOM 0 H HIS A 3 18.487 16.898 -11.946 1.00 11.24 H new ATOM 0 HA HIS A 3 16.896 17.030 -10.406 1.00 10.68 H new ATOM 0 HB2 HIS A 3 17.636 14.183 -9.637 1.00 11.22 H new ATOM 0 HB3 HIS A 3 16.097 14.978 -9.370 1.00 11.22 H new ATOM 0 HD2 HIS A 3 15.073 15.897 -12.169 1.00 12.30 H new ATOM 0 HE1 HIS A 3 16.390 12.187 -13.748 1.00 12.74 H new ATOM 0 HE2 HIS A 3 14.908 14.216 -14.154 1.00 12.87 H new ATOM 39 N MET A 4 18.651 15.634 -8.020 1.00 9.43 N ATOM 40 CA MET A 4 19.232 15.850 -6.697 1.00 8.83 C ATOM 41 C MET A 4 18.227 16.510 -5.756 1.00 8.04 C ATOM 42 O MET A 4 17.120 16.864 -6.162 1.00 8.16 O ATOM 43 CB MET A 4 20.495 16.711 -6.802 1.00 9.24 C ATOM 44 CG MET A 4 21.740 16.036 -6.249 1.00 9.89 C ATOM 45 SD MET A 4 23.257 16.889 -6.718 1.00 10.81 S ATOM 46 CE MET A 4 23.859 15.819 -8.023 1.00 11.46 C ATOM 0 H MET A 4 18.610 14.655 -8.305 1.00 9.43 H new ATOM 0 HA MET A 4 19.498 14.876 -6.286 1.00 8.83 H new ATOM 0 HB2 MET A 4 20.665 16.966 -7.848 1.00 9.24 H new ATOM 0 HB3 MET A 4 20.332 17.647 -6.268 1.00 9.24 H new ATOM 0 HG2 MET A 4 21.673 15.993 -5.162 1.00 9.89 H new ATOM 0 HG3 MET A 4 21.780 15.007 -6.607 1.00 9.89 H new ATOM 0 HE1 MET A 4 24.822 16.186 -8.379 1.00 11.46 H new ATOM 0 HE2 MET A 4 23.977 14.806 -7.638 1.00 11.46 H new ATOM 0 HE3 MET A 4 23.145 15.813 -8.847 1.00 11.46 H new ATOM 56 N SER A 5 18.624 16.667 -4.495 1.00 7.48 N ATOM 57 CA SER A 5 17.765 17.283 -3.488 1.00 6.96 C ATOM 58 C SER A 5 16.411 16.581 -3.415 1.00 5.97 C ATOM 59 O SER A 5 15.365 17.202 -3.617 1.00 5.85 O ATOM 60 CB SER A 5 17.571 18.771 -3.792 1.00 7.28 C ATOM 61 OG SER A 5 18.708 19.523 -3.405 1.00 7.75 O ATOM 0 H SER A 5 19.537 16.375 -4.146 1.00 7.48 H new ATOM 0 HA SER A 5 18.255 17.179 -2.520 1.00 6.96 H new ATOM 0 HB2 SER A 5 17.387 18.907 -4.858 1.00 7.28 H new ATOM 0 HB3 SER A 5 16.690 19.141 -3.267 1.00 7.28 H new ATOM 0 HG SER A 5 18.560 20.470 -3.611 1.00 7.75 H new ATOM 67 N HIS A 6 16.437 15.283 -3.128 1.00 5.62 N ATOM 68 CA HIS A 6 15.214 14.494 -3.028 1.00 5.03 C ATOM 69 C HIS A 6 15.191 13.689 -1.732 1.00 4.34 C ATOM 70 O HIS A 6 16.184 13.633 -1.006 1.00 4.70 O ATOM 71 CB HIS A 6 15.088 13.551 -4.226 1.00 5.60 C ATOM 72 CG HIS A 6 14.432 14.178 -5.417 1.00 6.21 C ATOM 73 ND1 HIS A 6 13.118 14.599 -5.419 1.00 6.80 N ATOM 74 CD2 HIS A 6 14.915 14.454 -6.650 1.00 6.70 C ATOM 75 CE1 HIS A 6 12.821 15.106 -6.603 1.00 7.53 C ATOM 76 NE2 HIS A 6 13.896 15.030 -7.367 1.00 7.49 N ATOM 0 H HIS A 6 17.293 14.755 -2.960 1.00 5.62 H new ATOM 0 HA HIS A 6 14.369 15.182 -3.025 1.00 5.03 H new ATOM 0 HB2 HIS A 6 16.081 13.203 -4.510 1.00 5.60 H new ATOM 0 HB3 HIS A 6 14.516 12.672 -3.927 1.00 5.60 H new ATOM 0 HD2 HIS A 6 15.916 14.258 -7.004 1.00 6.70 H new ATOM 0 HE1 HIS A 6 11.864 15.512 -6.895 1.00 7.53 H new ATOM 0 HE2 HIS A 6 13.959 15.348 -8.334 1.00 7.49 H new ATOM 85 N LEU A 7 14.052 13.065 -1.450 1.00 3.79 N ATOM 86 CA LEU A 7 13.897 12.259 -0.245 1.00 3.54 C ATOM 87 C LEU A 7 14.486 10.867 -0.448 1.00 3.05 C ATOM 88 O LEU A 7 15.503 10.517 0.151 1.00 3.39 O ATOM 89 CB LEU A 7 12.418 12.153 0.137 1.00 4.07 C ATOM 90 CG LEU A 7 12.087 12.497 1.594 1.00 4.94 C ATOM 91 CD1 LEU A 7 12.898 11.635 2.549 1.00 5.66 C ATOM 92 CD2 LEU A 7 12.333 13.974 1.863 1.00 5.67 C ATOM 0 H LEU A 7 13.221 13.102 -2.041 1.00 3.79 H new ATOM 0 HA LEU A 7 14.437 12.749 0.565 1.00 3.54 H new ATOM 0 HB2 LEU A 7 11.844 12.813 -0.513 1.00 4.07 H new ATOM 0 HB3 LEU A 7 12.081 11.136 -0.064 1.00 4.07 H new ATOM 0 HG LEU A 7 11.031 12.289 1.763 1.00 4.94 H new ATOM 0 HD11 LEU A 7 12.647 11.896 3.577 1.00 5.66 H new ATOM 0 HD12 LEU A 7 12.668 10.584 2.375 1.00 5.66 H new ATOM 0 HD13 LEU A 7 13.961 11.806 2.380 1.00 5.66 H new ATOM 0 HD21 LEU A 7 12.093 14.200 2.902 1.00 5.67 H new ATOM 0 HD22 LEU A 7 13.380 14.209 1.674 1.00 5.67 H new ATOM 0 HD23 LEU A 7 11.702 14.573 1.206 1.00 5.67 H new ATOM 104 N ASP A 8 13.836 10.078 -1.297 1.00 2.65 N ATOM 105 CA ASP A 8 14.289 8.721 -1.587 1.00 2.38 C ATOM 106 C ASP A 8 13.584 8.173 -2.823 1.00 2.22 C ATOM 107 O ASP A 8 13.198 7.004 -2.864 1.00 2.74 O ATOM 108 CB ASP A 8 14.033 7.805 -0.388 1.00 2.57 C ATOM 109 CG ASP A 8 14.964 6.608 -0.362 1.00 3.32 C ATOM 110 OD1 ASP A 8 15.511 6.256 -1.429 1.00 3.77 O ATOM 111 OD2 ASP A 8 15.146 6.021 0.725 1.00 3.86 O ATOM 0 H ASP A 8 12.992 10.355 -1.798 1.00 2.65 H new ATOM 0 HA ASP A 8 15.361 8.753 -1.783 1.00 2.38 H new ATOM 0 HB2 ASP A 8 14.154 8.375 0.533 1.00 2.57 H new ATOM 0 HB3 ASP A 8 13.000 7.457 -0.414 1.00 2.57 H new ATOM 116 N ASN A 9 13.423 9.028 -3.830 1.00 1.98 N ATOM 117 CA ASN A 9 12.759 8.641 -5.071 1.00 2.16 C ATOM 118 C ASN A 9 11.348 8.125 -4.793 1.00 1.77 C ATOM 119 O ASN A 9 10.431 8.913 -4.562 1.00 2.00 O ATOM 120 CB ASN A 9 13.582 7.579 -5.809 1.00 2.89 C ATOM 121 CG ASN A 9 15.021 8.003 -6.020 1.00 3.63 C ATOM 122 OD1 ASN A 9 15.317 9.189 -6.169 1.00 4.06 O ATOM 123 ND2 ASN A 9 15.926 7.032 -6.035 1.00 4.31 N ATOM 0 H ASN A 9 13.744 9.996 -3.810 1.00 1.98 H new ATOM 0 HA ASN A 9 12.680 9.523 -5.706 1.00 2.16 H new ATOM 0 HB2 ASN A 9 13.560 6.648 -5.242 1.00 2.89 H new ATOM 0 HB3 ASN A 9 13.122 7.374 -6.776 1.00 2.89 H new ATOM 0 HD21 ASN A 9 16.911 7.255 -6.174 1.00 4.31 H new ATOM 0 HD22 ASN A 9 15.636 6.062 -5.907 1.00 4.31 H new ATOM 130 N THR A 10 11.185 6.801 -4.804 1.00 1.51 N ATOM 131 CA THR A 10 9.888 6.177 -4.551 1.00 1.25 C ATOM 132 C THR A 10 8.776 6.846 -5.355 1.00 1.22 C ATOM 133 O THR A 10 8.106 7.758 -4.869 1.00 1.93 O ATOM 134 CB THR A 10 9.522 6.217 -3.054 1.00 1.11 C ATOM 135 OG1 THR A 10 10.486 6.993 -2.331 1.00 1.23 O ATOM 136 CG2 THR A 10 9.462 4.812 -2.476 1.00 1.18 C ATOM 0 H THR A 10 11.939 6.139 -4.986 1.00 1.51 H new ATOM 0 HA THR A 10 9.979 5.138 -4.867 1.00 1.25 H new ATOM 0 HB THR A 10 8.539 6.678 -2.956 1.00 1.11 H new ATOM 0 HG1 THR A 10 10.244 7.014 -1.382 1.00 1.23 H new ATOM 0 HG21 THR A 10 9.202 4.864 -1.419 1.00 1.18 H new ATOM 0 HG22 THR A 10 8.707 4.232 -3.007 1.00 1.18 H new ATOM 0 HG23 THR A 10 10.434 4.331 -2.587 1.00 1.18 H new ATOM 144 N MET A 11 8.586 6.386 -6.588 1.00 0.77 N ATOM 145 CA MET A 11 7.553 6.936 -7.461 1.00 0.68 C ATOM 146 C MET A 11 6.182 6.844 -6.803 1.00 0.61 C ATOM 147 O MET A 11 5.796 5.788 -6.302 1.00 0.63 O ATOM 148 CB MET A 11 7.534 6.196 -8.803 1.00 0.70 C ATOM 149 CG MET A 11 7.764 4.699 -8.678 1.00 0.72 C ATOM 150 SD MET A 11 6.488 3.727 -9.501 1.00 1.23 S ATOM 151 CE MET A 11 7.475 2.425 -10.236 1.00 0.74 C ATOM 0 H MET A 11 9.134 5.634 -7.006 1.00 0.77 H new ATOM 0 HA MET A 11 7.787 7.986 -7.637 1.00 0.68 H new ATOM 0 HB2 MET A 11 6.574 6.368 -9.289 1.00 0.70 H new ATOM 0 HB3 MET A 11 8.300 6.619 -9.452 1.00 0.70 H new ATOM 0 HG2 MET A 11 8.736 4.448 -9.103 1.00 0.72 H new ATOM 0 HG3 MET A 11 7.797 4.428 -7.623 1.00 0.72 H new ATOM 0 HE1 MET A 11 6.826 1.740 -10.782 1.00 0.74 H new ATOM 0 HE2 MET A 11 8.201 2.862 -10.922 1.00 0.74 H new ATOM 0 HE3 MET A 11 8.000 1.880 -9.452 1.00 0.74 H new ATOM 161 N ALA A 12 5.455 7.959 -6.804 1.00 0.57 N ATOM 162 CA ALA A 12 4.121 8.003 -6.215 1.00 0.56 C ATOM 163 C ALA A 12 3.265 6.856 -6.727 1.00 0.48 C ATOM 164 O ALA A 12 3.468 6.364 -7.837 1.00 0.46 O ATOM 165 CB ALA A 12 3.455 9.338 -6.514 1.00 0.62 C ATOM 0 H ALA A 12 5.768 8.843 -7.206 1.00 0.57 H new ATOM 0 HA ALA A 12 4.221 7.896 -5.135 1.00 0.56 H new ATOM 0 HB1 ALA A 12 2.460 9.356 -6.068 1.00 0.62 H new ATOM 0 HB2 ALA A 12 4.055 10.146 -6.095 1.00 0.62 H new ATOM 0 HB3 ALA A 12 3.372 9.469 -7.593 1.00 0.62 H new ATOM 171 N ILE A 13 2.318 6.432 -5.903 1.00 0.46 N ATOM 172 CA ILE A 13 1.420 5.345 -6.258 1.00 0.44 C ATOM 173 C ILE A 13 0.805 5.578 -7.639 1.00 0.43 C ATOM 174 O ILE A 13 0.470 4.630 -8.350 1.00 0.45 O ATOM 175 CB ILE A 13 0.317 5.190 -5.189 1.00 0.48 C ATOM 176 CG1 ILE A 13 0.741 4.155 -4.143 1.00 0.65 C ATOM 177 CG2 ILE A 13 -1.017 4.798 -5.813 1.00 0.54 C ATOM 178 CD1 ILE A 13 0.227 4.455 -2.752 1.00 0.58 C ATOM 0 H ILE A 13 2.152 6.828 -4.978 1.00 0.46 H new ATOM 0 HA ILE A 13 1.997 4.421 -6.297 1.00 0.44 H new ATOM 0 HB ILE A 13 0.182 6.156 -4.703 1.00 0.48 H new ATOM 0 HG12 ILE A 13 0.382 3.173 -4.450 1.00 0.65 H new ATOM 0 HG13 ILE A 13 1.829 4.103 -4.116 1.00 0.65 H new ATOM 0 HG21 ILE A 13 -1.769 4.698 -5.031 1.00 0.54 H new ATOM 0 HG22 ILE A 13 -1.328 5.567 -6.519 1.00 0.54 H new ATOM 0 HG23 ILE A 13 -0.909 3.848 -6.336 1.00 0.54 H new ATOM 0 HD11 ILE A 13 0.566 3.681 -2.064 1.00 0.58 H new ATOM 0 HD12 ILE A 13 0.607 5.423 -2.425 1.00 0.58 H new ATOM 0 HD13 ILE A 13 -0.863 4.478 -2.764 1.00 0.58 H new ATOM 190 N ARG A 14 0.669 6.849 -8.012 1.00 0.47 N ATOM 191 CA ARG A 14 0.109 7.212 -9.310 1.00 0.53 C ATOM 192 C ARG A 14 0.896 6.545 -10.435 1.00 0.51 C ATOM 193 O ARG A 14 0.318 6.029 -11.391 1.00 0.66 O ATOM 194 CB ARG A 14 0.123 8.732 -9.489 1.00 0.62 C ATOM 195 CG ARG A 14 -0.516 9.201 -10.786 1.00 1.28 C ATOM 196 CD ARG A 14 0.428 10.086 -11.584 1.00 1.42 C ATOM 197 NE ARG A 14 0.175 11.506 -11.353 1.00 1.82 N ATOM 198 CZ ARG A 14 -0.867 12.162 -11.857 1.00 2.23 C ATOM 199 NH1 ARG A 14 -1.753 11.528 -12.615 1.00 2.63 N ATOM 200 NH2 ARG A 14 -1.024 13.454 -11.603 1.00 2.82 N ATOM 0 H ARG A 14 0.939 7.644 -7.433 1.00 0.47 H new ATOM 0 HA ARG A 14 -0.923 6.863 -9.350 1.00 0.53 H new ATOM 0 HB2 ARG A 14 -0.399 9.192 -8.650 1.00 0.62 H new ATOM 0 HB3 ARG A 14 1.154 9.083 -9.455 1.00 0.62 H new ATOM 0 HG2 ARG A 14 -0.800 8.337 -11.386 1.00 1.28 H new ATOM 0 HG3 ARG A 14 -1.431 9.750 -10.564 1.00 1.28 H new ATOM 0 HD2 ARG A 14 1.458 9.853 -11.314 1.00 1.42 H new ATOM 0 HD3 ARG A 14 0.319 9.867 -12.646 1.00 1.42 H new ATOM 0 HE ARG A 14 0.835 12.024 -10.772 1.00 1.82 H new ATOM 0 HH11 ARG A 14 -1.636 10.534 -12.813 1.00 2.63 H new ATOM 0 HH12 ARG A 14 -2.550 12.035 -12.999 1.00 2.63 H new ATOM 0 HH21 ARG A 14 -0.346 13.945 -11.021 1.00 2.82 H new ATOM 0 HH22 ARG A 14 -1.823 13.956 -11.990 1.00 2.82 H new ATOM 214 N LEU A 15 2.220 6.562 -10.310 1.00 0.43 N ATOM 215 CA LEU A 15 3.092 5.951 -11.306 1.00 0.46 C ATOM 216 C LEU A 15 3.024 4.431 -11.212 1.00 0.42 C ATOM 217 O LEU A 15 3.096 3.732 -12.222 1.00 0.44 O ATOM 218 CB LEU A 15 4.535 6.425 -11.115 1.00 0.54 C ATOM 219 CG LEU A 15 5.255 6.837 -12.402 1.00 0.64 C ATOM 220 CD1 LEU A 15 6.465 7.701 -12.082 1.00 1.44 C ATOM 221 CD2 LEU A 15 5.670 5.608 -13.197 1.00 1.51 C ATOM 0 H LEU A 15 2.712 6.993 -9.527 1.00 0.43 H new ATOM 0 HA LEU A 15 2.751 6.256 -12.295 1.00 0.46 H new ATOM 0 HB2 LEU A 15 4.536 7.272 -10.429 1.00 0.54 H new ATOM 0 HB3 LEU A 15 5.104 5.627 -10.637 1.00 0.54 H new ATOM 0 HG LEU A 15 4.566 7.423 -13.011 1.00 0.64 H new ATOM 0 HD11 LEU A 15 6.965 7.985 -13.008 1.00 1.44 H new ATOM 0 HD12 LEU A 15 6.142 8.598 -11.554 1.00 1.44 H new ATOM 0 HD13 LEU A 15 7.157 7.140 -11.454 1.00 1.44 H new ATOM 0 HD21 LEU A 15 6.180 5.919 -14.108 1.00 1.51 H new ATOM 0 HD22 LEU A 15 6.342 4.996 -12.596 1.00 1.51 H new ATOM 0 HD23 LEU A 15 4.785 5.027 -13.457 1.00 1.51 H new ATOM 233 N LEU A 16 2.889 3.930 -9.986 1.00 0.38 N ATOM 234 CA LEU A 16 2.803 2.494 -9.743 1.00 0.38 C ATOM 235 C LEU A 16 1.704 1.862 -10.600 1.00 0.36 C ATOM 236 O LEU A 16 0.525 2.174 -10.427 1.00 0.35 O ATOM 237 CB LEU A 16 2.526 2.226 -8.260 1.00 0.39 C ATOM 238 CG LEU A 16 3.240 1.008 -7.664 1.00 0.67 C ATOM 239 CD1 LEU A 16 2.747 -0.277 -8.312 1.00 0.92 C ATOM 240 CD2 LEU A 16 4.748 1.141 -7.818 1.00 0.93 C ATOM 0 H LEU A 16 2.837 4.501 -9.143 1.00 0.38 H new ATOM 0 HA LEU A 16 3.757 2.044 -10.017 1.00 0.38 H new ATOM 0 HB2 LEU A 16 2.814 3.109 -7.689 1.00 0.39 H new ATOM 0 HB3 LEU A 16 1.452 2.097 -8.127 1.00 0.39 H new ATOM 0 HG LEU A 16 3.007 0.964 -6.600 1.00 0.67 H new ATOM 0 HD11 LEU A 16 3.267 -1.128 -7.874 1.00 0.92 H new ATOM 0 HD12 LEU A 16 1.675 -0.381 -8.144 1.00 0.92 H new ATOM 0 HD13 LEU A 16 2.945 -0.243 -9.383 1.00 0.92 H new ATOM 0 HD21 LEU A 16 5.236 0.266 -7.389 1.00 0.93 H new ATOM 0 HD22 LEU A 16 5.001 1.215 -8.876 1.00 0.93 H new ATOM 0 HD23 LEU A 16 5.089 2.037 -7.300 1.00 0.93 H new ATOM 252 N PRO A 17 2.068 0.965 -11.537 1.00 0.38 N ATOM 253 CA PRO A 17 1.093 0.302 -12.410 1.00 0.40 C ATOM 254 C PRO A 17 0.062 -0.495 -11.617 1.00 0.35 C ATOM 255 O PRO A 17 0.411 -1.398 -10.857 1.00 0.35 O ATOM 256 CB PRO A 17 1.946 -0.636 -13.271 1.00 0.46 C ATOM 257 CG PRO A 17 3.330 -0.090 -13.188 1.00 0.48 C ATOM 258 CD PRO A 17 3.446 0.526 -11.825 1.00 0.43 C ATOM 0 HA PRO A 17 0.518 1.022 -12.993 1.00 0.40 H new ATOM 0 HB2 PRO A 17 1.903 -1.660 -12.899 1.00 0.46 H new ATOM 0 HB3 PRO A 17 1.592 -0.656 -14.302 1.00 0.46 H new ATOM 0 HG2 PRO A 17 4.070 -0.878 -13.325 1.00 0.48 H new ATOM 0 HG3 PRO A 17 3.505 0.651 -13.968 1.00 0.48 H new ATOM 0 HD2 PRO A 17 3.802 -0.193 -11.087 1.00 0.43 H new ATOM 0 HD3 PRO A 17 4.145 1.362 -11.819 1.00 0.43 H new ATOM 266 N LEU A 18 -1.210 -0.149 -11.797 1.00 0.40 N ATOM 267 CA LEU A 18 -2.298 -0.830 -11.104 1.00 0.41 C ATOM 268 C LEU A 18 -2.289 -2.337 -11.386 1.00 0.36 C ATOM 269 O LEU A 18 -2.407 -3.139 -10.459 1.00 0.37 O ATOM 270 CB LEU A 18 -3.649 -0.225 -11.503 1.00 0.51 C ATOM 271 CG LEU A 18 -4.377 0.545 -10.395 1.00 0.76 C ATOM 272 CD1 LEU A 18 -4.737 -0.383 -9.244 1.00 1.36 C ATOM 273 CD2 LEU A 18 -3.526 1.707 -9.900 1.00 1.64 C ATOM 0 H LEU A 18 -1.512 0.601 -12.419 1.00 0.40 H new ATOM 0 HA LEU A 18 -2.147 -0.689 -10.034 1.00 0.41 H new ATOM 0 HB2 LEU A 18 -3.492 0.447 -12.347 1.00 0.51 H new ATOM 0 HB3 LEU A 18 -4.299 -1.028 -11.852 1.00 0.51 H new ATOM 0 HG LEU A 18 -5.300 0.949 -10.810 1.00 0.76 H new ATOM 0 HD11 LEU A 18 -5.253 0.183 -8.468 1.00 1.36 H new ATOM 0 HD12 LEU A 18 -5.389 -1.178 -9.607 1.00 1.36 H new ATOM 0 HD13 LEU A 18 -3.828 -0.820 -8.831 1.00 1.36 H new ATOM 0 HD21 LEU A 18 -4.061 2.241 -9.114 1.00 1.64 H new ATOM 0 HD22 LEU A 18 -2.585 1.326 -9.504 1.00 1.64 H new ATOM 0 HD23 LEU A 18 -3.323 2.387 -10.727 1.00 1.64 H new ATOM 285 N PRO A 19 -2.160 -2.750 -12.668 1.00 0.36 N ATOM 286 CA PRO A 19 -2.137 -4.172 -13.038 1.00 0.41 C ATOM 287 C PRO A 19 -1.171 -4.988 -12.183 1.00 0.39 C ATOM 288 O PRO A 19 -1.433 -6.151 -11.876 1.00 0.44 O ATOM 289 CB PRO A 19 -1.673 -4.149 -14.495 1.00 0.49 C ATOM 290 CG PRO A 19 -2.137 -2.834 -15.012 1.00 0.59 C ATOM 291 CD PRO A 19 -2.038 -1.876 -13.857 1.00 0.40 C ATOM 0 HA PRO A 19 -3.108 -4.645 -12.889 1.00 0.41 H new ATOM 0 HB2 PRO A 19 -0.590 -4.245 -14.568 1.00 0.49 H new ATOM 0 HB3 PRO A 19 -2.105 -4.973 -15.062 1.00 0.49 H new ATOM 0 HG2 PRO A 19 -1.520 -2.503 -15.847 1.00 0.59 H new ATOM 0 HG3 PRO A 19 -3.161 -2.898 -15.379 1.00 0.59 H new ATOM 0 HD2 PRO A 19 -1.090 -1.337 -13.863 1.00 0.40 H new ATOM 0 HD3 PRO A 19 -2.830 -1.128 -13.888 1.00 0.40 H new ATOM 299 N VAL A 20 -0.055 -4.373 -11.799 1.00 0.38 N ATOM 300 CA VAL A 20 0.945 -5.048 -10.977 1.00 0.44 C ATOM 301 C VAL A 20 0.600 -4.934 -9.495 1.00 0.42 C ATOM 302 O VAL A 20 0.897 -5.832 -8.708 1.00 0.46 O ATOM 303 CB VAL A 20 2.357 -4.475 -11.210 1.00 0.51 C ATOM 304 CG1 VAL A 20 3.408 -5.367 -10.568 1.00 0.65 C ATOM 305 CG2 VAL A 20 2.630 -4.307 -12.698 1.00 0.56 C ATOM 0 H VAL A 20 0.179 -3.411 -12.043 1.00 0.38 H new ATOM 0 HA VAL A 20 0.939 -6.097 -11.274 1.00 0.44 H new ATOM 0 HB VAL A 20 2.410 -3.492 -10.741 1.00 0.51 H new ATOM 0 HG11 VAL A 20 4.398 -4.946 -10.743 1.00 0.65 H new ATOM 0 HG12 VAL A 20 3.225 -5.431 -9.495 1.00 0.65 H new ATOM 0 HG13 VAL A 20 3.355 -6.364 -11.005 1.00 0.65 H new ATOM 0 HG21 VAL A 20 3.632 -3.901 -12.841 1.00 0.56 H new ATOM 0 HG22 VAL A 20 2.557 -5.275 -13.193 1.00 0.56 H new ATOM 0 HG23 VAL A 20 1.897 -3.624 -13.127 1.00 0.56 H new ATOM 315 N ARG A 21 -0.026 -3.821 -9.125 1.00 0.42 N ATOM 316 CA ARG A 21 -0.418 -3.586 -7.740 1.00 0.46 C ATOM 317 C ARG A 21 -1.387 -4.663 -7.258 1.00 0.39 C ATOM 318 O ARG A 21 -1.394 -5.024 -6.082 1.00 0.38 O ATOM 319 CB ARG A 21 -1.061 -2.203 -7.600 1.00 0.54 C ATOM 320 CG ARG A 21 -1.403 -1.829 -6.167 1.00 1.17 C ATOM 321 CD ARG A 21 -0.196 -1.263 -5.437 1.00 0.77 C ATOM 322 NE ARG A 21 0.321 -2.191 -4.436 1.00 1.75 N ATOM 323 CZ ARG A 21 1.510 -2.061 -3.854 1.00 2.57 C ATOM 324 NH1 ARG A 21 2.298 -1.039 -4.167 1.00 2.82 N ATOM 325 NH2 ARG A 21 1.910 -2.949 -2.955 1.00 3.62 N ATOM 0 H ARG A 21 -0.273 -3.067 -9.766 1.00 0.42 H new ATOM 0 HA ARG A 21 0.478 -3.628 -7.121 1.00 0.46 H new ATOM 0 HB2 ARG A 21 -0.383 -1.454 -8.009 1.00 0.54 H new ATOM 0 HB3 ARG A 21 -1.970 -2.172 -8.201 1.00 0.54 H new ATOM 0 HG2 ARG A 21 -2.209 -1.095 -6.164 1.00 1.17 H new ATOM 0 HG3 ARG A 21 -1.770 -2.708 -5.638 1.00 1.17 H new ATOM 0 HD2 ARG A 21 0.589 -1.033 -6.158 1.00 0.77 H new ATOM 0 HD3 ARG A 21 -0.471 -0.325 -4.954 1.00 0.77 H new ATOM 0 HE ARG A 21 -0.262 -2.984 -4.168 1.00 1.75 H new ATOM 0 HH11 ARG A 21 1.992 -0.351 -4.855 1.00 2.82 H new ATOM 0 HH12 ARG A 21 3.209 -0.942 -3.719 1.00 2.82 H new ATOM 0 HH21 ARG A 21 1.306 -3.733 -2.709 1.00 3.62 H new ATOM 0 HH22 ARG A 21 2.822 -2.848 -2.509 1.00 3.62 H new ATOM 339 N ALA A 22 -2.204 -5.167 -8.180 1.00 0.40 N ATOM 340 CA ALA A 22 -3.184 -6.201 -7.860 1.00 0.40 C ATOM 341 C ALA A 22 -2.520 -7.448 -7.281 1.00 0.35 C ATOM 342 O ALA A 22 -3.187 -8.297 -6.691 1.00 0.37 O ATOM 343 CB ALA A 22 -3.988 -6.562 -9.098 1.00 0.48 C ATOM 0 H ALA A 22 -2.206 -4.875 -9.157 1.00 0.40 H new ATOM 0 HA ALA A 22 -3.854 -5.799 -7.100 1.00 0.40 H new ATOM 0 HB1 ALA A 22 -4.715 -7.334 -8.847 1.00 0.48 H new ATOM 0 HB2 ALA A 22 -4.509 -5.677 -9.464 1.00 0.48 H new ATOM 0 HB3 ALA A 22 -3.317 -6.934 -9.872 1.00 0.48 H new ATOM 349 N GLN A 23 -1.206 -7.553 -7.453 1.00 0.36 N ATOM 350 CA GLN A 23 -0.461 -8.701 -6.946 1.00 0.39 C ATOM 351 C GLN A 23 -0.472 -8.725 -5.421 1.00 0.34 C ATOM 352 O GLN A 23 -0.886 -9.710 -4.810 1.00 0.42 O ATOM 353 CB GLN A 23 0.981 -8.668 -7.457 1.00 0.49 C ATOM 354 CG GLN A 23 1.591 -10.047 -7.645 1.00 0.96 C ATOM 355 CD GLN A 23 2.632 -10.372 -6.592 1.00 1.44 C ATOM 356 OE1 GLN A 23 2.313 -10.520 -5.413 1.00 2.14 O ATOM 357 NE2 GLN A 23 3.885 -10.484 -7.015 1.00 2.10 N ATOM 0 H GLN A 23 -0.636 -6.860 -7.938 1.00 0.36 H new ATOM 0 HA GLN A 23 -0.946 -9.607 -7.310 1.00 0.39 H new ATOM 0 HB2 GLN A 23 1.009 -8.135 -8.407 1.00 0.49 H new ATOM 0 HB3 GLN A 23 1.593 -8.101 -6.756 1.00 0.49 H new ATOM 0 HG2 GLN A 23 0.801 -10.797 -7.613 1.00 0.96 H new ATOM 0 HG3 GLN A 23 2.048 -10.107 -8.633 1.00 0.96 H new ATOM 0 HE21 GLN A 23 4.103 -10.353 -8.003 1.00 2.10 H new ATOM 0 HE22 GLN A 23 4.629 -10.701 -6.352 1.00 2.10 H new ATOM 366 N LEU A 24 -0.014 -7.635 -4.813 1.00 0.29 N ATOM 367 CA LEU A 24 0.024 -7.530 -3.359 1.00 0.30 C ATOM 368 C LEU A 24 -1.389 -7.565 -2.781 1.00 0.30 C ATOM 369 O LEU A 24 -1.623 -8.153 -1.726 1.00 0.31 O ATOM 370 CB LEU A 24 0.749 -6.241 -2.941 1.00 0.38 C ATOM 371 CG LEU A 24 0.763 -5.923 -1.439 1.00 0.43 C ATOM 372 CD1 LEU A 24 -0.491 -5.160 -1.055 1.00 1.51 C ATOM 373 CD2 LEU A 24 0.915 -7.192 -0.607 1.00 1.40 C ATOM 0 H LEU A 24 0.336 -6.813 -5.305 1.00 0.29 H new ATOM 0 HA LEU A 24 0.574 -8.383 -2.962 1.00 0.30 H new ATOM 0 HB2 LEU A 24 1.781 -6.302 -3.287 1.00 0.38 H new ATOM 0 HB3 LEU A 24 0.286 -5.404 -3.463 1.00 0.38 H new ATOM 0 HG LEU A 24 1.627 -5.293 -1.228 1.00 0.43 H new ATOM 0 HD11 LEU A 24 -0.470 -4.940 0.012 1.00 1.51 H new ATOM 0 HD12 LEU A 24 -0.536 -4.227 -1.617 1.00 1.51 H new ATOM 0 HD13 LEU A 24 -1.369 -5.764 -1.284 1.00 1.51 H new ATOM 0 HD21 LEU A 24 0.922 -6.934 0.452 1.00 1.40 H new ATOM 0 HD22 LEU A 24 0.081 -7.863 -0.812 1.00 1.40 H new ATOM 0 HD23 LEU A 24 1.851 -7.687 -0.866 1.00 1.40 H new ATOM 385 N CYS A 25 -2.330 -6.940 -3.479 1.00 0.34 N ATOM 386 CA CYS A 25 -3.715 -6.907 -3.022 1.00 0.39 C ATOM 387 C CYS A 25 -4.254 -8.323 -2.868 1.00 0.39 C ATOM 388 O CYS A 25 -4.890 -8.653 -1.866 1.00 0.42 O ATOM 389 CB CYS A 25 -4.583 -6.117 -4.003 1.00 0.47 C ATOM 390 SG CYS A 25 -3.941 -4.474 -4.399 1.00 0.55 S ATOM 0 H CYS A 25 -2.161 -6.452 -4.359 1.00 0.34 H new ATOM 0 HA CYS A 25 -3.747 -6.411 -2.052 1.00 0.39 H new ATOM 0 HB2 CYS A 25 -4.682 -6.689 -4.926 1.00 0.47 H new ATOM 0 HB3 CYS A 25 -5.584 -6.013 -3.584 1.00 0.47 H new ATOM 0 HG CYS A 25 -4.413 -4.089 -5.547 1.00 0.55 H new ATOM 396 N ALA A 26 -3.996 -9.155 -3.869 1.00 0.40 N ATOM 397 CA ALA A 26 -4.436 -10.543 -3.846 1.00 0.45 C ATOM 398 C ALA A 26 -3.802 -11.288 -2.679 1.00 0.42 C ATOM 399 O ALA A 26 -4.430 -12.141 -2.052 1.00 0.46 O ATOM 400 CB ALA A 26 -4.076 -11.223 -5.155 1.00 0.52 C ATOM 0 H ALA A 26 -3.482 -8.891 -4.710 1.00 0.40 H new ATOM 0 HA ALA A 26 -5.518 -10.561 -3.720 1.00 0.45 H new ATOM 0 HB1 ALA A 26 -4.409 -12.261 -5.129 1.00 0.52 H new ATOM 0 HB2 ALA A 26 -4.565 -10.705 -5.980 1.00 0.52 H new ATOM 0 HB3 ALA A 26 -2.996 -11.192 -5.296 1.00 0.52 H new ATOM 406 N HIS A 27 -2.547 -10.956 -2.398 1.00 0.37 N ATOM 407 CA HIS A 27 -1.805 -11.585 -1.315 1.00 0.37 C ATOM 408 C HIS A 27 -2.473 -11.324 0.034 1.00 0.38 C ATOM 409 O HIS A 27 -2.877 -12.257 0.728 1.00 0.44 O ATOM 410 CB HIS A 27 -0.365 -11.066 -1.305 1.00 0.37 C ATOM 411 CG HIS A 27 0.379 -11.363 -0.039 1.00 0.42 C ATOM 412 ND1 HIS A 27 0.956 -12.589 0.225 1.00 0.62 N ATOM 413 CD2 HIS A 27 0.645 -10.585 1.038 1.00 0.55 C ATOM 414 CE1 HIS A 27 1.541 -12.552 1.409 1.00 0.72 C ATOM 415 NE2 HIS A 27 1.367 -11.349 1.921 1.00 0.68 N ATOM 0 H HIS A 27 -2.020 -10.249 -2.911 1.00 0.37 H new ATOM 0 HA HIS A 27 -1.798 -12.662 -1.481 1.00 0.37 H new ATOM 0 HB2 HIS A 27 0.175 -11.505 -2.144 1.00 0.37 H new ATOM 0 HB3 HIS A 27 -0.377 -9.988 -1.463 1.00 0.37 H new ATOM 0 HD2 HIS A 27 0.345 -9.557 1.176 1.00 0.55 H new ATOM 0 HE1 HIS A 27 2.071 -13.368 1.878 1.00 0.72 H new ATOM 0 HE2 HIS A 27 1.713 -11.036 2.828 1.00 0.68 H new ATOM 424 N LEU A 28 -2.580 -10.050 0.399 1.00 0.37 N ATOM 425 CA LEU A 28 -3.192 -9.662 1.667 1.00 0.45 C ATOM 426 C LEU A 28 -4.637 -10.141 1.764 1.00 0.49 C ATOM 427 O LEU A 28 -5.157 -10.347 2.860 1.00 0.51 O ATOM 428 CB LEU A 28 -3.133 -8.148 1.843 1.00 0.51 C ATOM 429 CG LEU A 28 -1.811 -7.620 2.398 1.00 0.56 C ATOM 430 CD1 LEU A 28 -1.406 -6.352 1.676 1.00 1.09 C ATOM 431 CD2 LEU A 28 -1.920 -7.375 3.896 1.00 0.99 C ATOM 0 H LEU A 28 -2.251 -9.267 -0.166 1.00 0.37 H new ATOM 0 HA LEU A 28 -2.625 -10.140 2.466 1.00 0.45 H new ATOM 0 HB2 LEU A 28 -3.320 -7.676 0.878 1.00 0.51 H new ATOM 0 HB3 LEU A 28 -3.939 -7.842 2.510 1.00 0.51 H new ATOM 0 HG LEU A 28 -1.040 -8.372 2.232 1.00 0.56 H new ATOM 0 HD11 LEU A 28 -0.462 -5.988 2.082 1.00 1.09 H new ATOM 0 HD12 LEU A 28 -1.287 -6.561 0.613 1.00 1.09 H new ATOM 0 HD13 LEU A 28 -2.177 -5.594 1.813 1.00 1.09 H new ATOM 0 HD21 LEU A 28 -0.969 -6.999 4.273 1.00 0.99 H new ATOM 0 HD22 LEU A 28 -2.702 -6.641 4.089 1.00 0.99 H new ATOM 0 HD23 LEU A 28 -2.167 -8.309 4.400 1.00 0.99 H new ATOM 443 N ASP A 29 -5.283 -10.312 0.612 1.00 0.60 N ATOM 444 CA ASP A 29 -6.670 -10.765 0.573 1.00 0.69 C ATOM 445 C ASP A 29 -6.844 -12.070 1.343 1.00 0.57 C ATOM 446 O ASP A 29 -7.876 -12.296 1.973 1.00 0.55 O ATOM 447 CB ASP A 29 -7.130 -10.950 -0.875 1.00 0.94 C ATOM 448 CG ASP A 29 -8.568 -11.425 -0.969 1.00 0.97 C ATOM 449 OD1 ASP A 29 -9.414 -10.906 -0.212 1.00 1.20 O ATOM 450 OD2 ASP A 29 -8.846 -12.316 -1.799 1.00 1.12 O ATOM 0 H ASP A 29 -4.868 -10.144 -0.305 1.00 0.60 H new ATOM 0 HA ASP A 29 -7.285 -10.001 1.049 1.00 0.69 H new ATOM 0 HB2 ASP A 29 -7.026 -10.006 -1.410 1.00 0.94 H new ATOM 0 HB3 ASP A 29 -6.479 -11.670 -1.371 1.00 0.94 H new ATOM 455 N ALA A 30 -5.827 -12.924 1.286 1.00 0.56 N ATOM 456 CA ALA A 30 -5.869 -14.206 1.980 1.00 0.58 C ATOM 457 C ALA A 30 -5.820 -14.012 3.492 1.00 0.46 C ATOM 458 O ALA A 30 -6.493 -14.721 4.241 1.00 0.54 O ATOM 459 CB ALA A 30 -4.719 -15.091 1.522 1.00 0.68 C ATOM 0 H ALA A 30 -4.966 -12.752 0.768 1.00 0.56 H new ATOM 0 HA ALA A 30 -6.811 -14.696 1.733 1.00 0.58 H new ATOM 0 HB1 ALA A 30 -4.762 -16.045 2.048 1.00 0.68 H new ATOM 0 HB2 ALA A 30 -4.798 -15.264 0.449 1.00 0.68 H new ATOM 0 HB3 ALA A 30 -3.771 -14.599 1.741 1.00 0.68 H new ATOM 465 N LEU A 31 -5.019 -13.047 3.931 1.00 0.37 N ATOM 466 CA LEU A 31 -4.876 -12.754 5.353 1.00 0.40 C ATOM 467 C LEU A 31 -6.129 -12.079 5.903 1.00 0.40 C ATOM 468 O LEU A 31 -6.400 -12.142 7.102 1.00 0.45 O ATOM 469 CB LEU A 31 -3.656 -11.864 5.589 1.00 0.45 C ATOM 470 CG LEU A 31 -2.371 -12.614 5.938 1.00 0.64 C ATOM 471 CD1 LEU A 31 -1.709 -13.151 4.678 1.00 1.10 C ATOM 472 CD2 LEU A 31 -1.417 -11.708 6.699 1.00 1.16 C ATOM 0 H LEU A 31 -4.457 -12.453 3.321 1.00 0.37 H new ATOM 0 HA LEU A 31 -4.737 -13.698 5.880 1.00 0.40 H new ATOM 0 HB2 LEU A 31 -3.480 -11.268 4.693 1.00 0.45 H new ATOM 0 HB3 LEU A 31 -3.883 -11.167 6.396 1.00 0.45 H new ATOM 0 HG LEU A 31 -2.627 -13.459 6.578 1.00 0.64 H new ATOM 0 HD11 LEU A 31 -0.795 -13.682 4.945 1.00 1.10 H new ATOM 0 HD12 LEU A 31 -2.391 -13.834 4.171 1.00 1.10 H new ATOM 0 HD13 LEU A 31 -1.466 -12.322 4.013 1.00 1.10 H new ATOM 0 HD21 LEU A 31 -0.507 -12.258 6.940 1.00 1.16 H new ATOM 0 HD22 LEU A 31 -1.167 -10.844 6.083 1.00 1.16 H new ATOM 0 HD23 LEU A 31 -1.892 -11.371 7.621 1.00 1.16 H new ATOM 484 N ASP A 32 -6.887 -11.434 5.020 1.00 0.40 N ATOM 485 CA ASP A 32 -8.111 -10.741 5.415 1.00 0.46 C ATOM 486 C ASP A 32 -7.828 -9.718 6.514 1.00 0.46 C ATOM 487 O ASP A 32 -8.264 -9.877 7.655 1.00 0.57 O ATOM 488 CB ASP A 32 -9.164 -11.747 5.887 1.00 0.52 C ATOM 489 CG ASP A 32 -10.445 -11.664 5.079 1.00 1.20 C ATOM 490 OD1 ASP A 32 -10.413 -12.013 3.880 1.00 1.57 O ATOM 491 OD2 ASP A 32 -11.478 -11.252 5.645 1.00 2.03 O ATOM 0 H ASP A 32 -6.675 -11.377 4.024 1.00 0.40 H new ATOM 0 HA ASP A 32 -8.496 -10.210 4.545 1.00 0.46 H new ATOM 0 HB2 ASP A 32 -8.757 -12.756 5.815 1.00 0.52 H new ATOM 0 HB3 ASP A 32 -9.388 -11.568 6.938 1.00 0.52 H new ATOM 496 N VAL A 33 -7.093 -8.668 6.160 1.00 0.42 N ATOM 497 CA VAL A 33 -6.750 -7.618 7.113 1.00 0.43 C ATOM 498 C VAL A 33 -6.898 -6.236 6.486 1.00 0.42 C ATOM 499 O VAL A 33 -6.299 -5.266 6.953 1.00 0.52 O ATOM 500 CB VAL A 33 -5.310 -7.781 7.636 1.00 0.48 C ATOM 501 CG1 VAL A 33 -5.216 -8.959 8.593 1.00 0.54 C ATOM 502 CG2 VAL A 33 -4.338 -7.946 6.478 1.00 0.50 C ATOM 0 H VAL A 33 -6.724 -8.522 5.221 1.00 0.42 H new ATOM 0 HA VAL A 33 -7.444 -7.711 7.948 1.00 0.43 H new ATOM 0 HB VAL A 33 -5.039 -6.878 8.184 1.00 0.48 H new ATOM 0 HG11 VAL A 33 -4.191 -9.056 8.951 1.00 0.54 H new ATOM 0 HG12 VAL A 33 -5.882 -8.794 9.440 1.00 0.54 H new ATOM 0 HG13 VAL A 33 -5.508 -9.873 8.075 1.00 0.54 H new ATOM 0 HG21 VAL A 33 -3.326 -8.060 6.866 1.00 0.50 H new ATOM 0 HG22 VAL A 33 -4.607 -8.830 5.901 1.00 0.50 H new ATOM 0 HG23 VAL A 33 -4.384 -7.066 5.836 1.00 0.50 H new ATOM 512 N TRP A 34 -7.697 -6.152 5.427 1.00 0.39 N ATOM 513 CA TRP A 34 -7.920 -4.886 4.737 1.00 0.38 C ATOM 514 C TRP A 34 -8.564 -3.864 5.671 1.00 0.33 C ATOM 515 O TRP A 34 -8.311 -2.665 5.565 1.00 0.34 O ATOM 516 CB TRP A 34 -8.798 -5.101 3.500 1.00 0.40 C ATOM 517 CG TRP A 34 -10.200 -5.516 3.826 1.00 0.39 C ATOM 518 CD1 TRP A 34 -10.617 -6.751 4.233 1.00 0.47 C ATOM 519 CD2 TRP A 34 -11.371 -4.694 3.770 1.00 0.37 C ATOM 520 NE1 TRP A 34 -11.976 -6.746 4.436 1.00 0.50 N ATOM 521 CE2 TRP A 34 -12.462 -5.495 4.157 1.00 0.44 C ATOM 522 CE3 TRP A 34 -11.603 -3.359 3.431 1.00 0.38 C ATOM 523 CZ2 TRP A 34 -13.764 -5.004 4.214 1.00 0.50 C ATOM 524 CZ3 TRP A 34 -12.895 -2.871 3.487 1.00 0.45 C ATOM 525 CH2 TRP A 34 -13.961 -3.692 3.877 1.00 0.50 C ATOM 0 H TRP A 34 -8.200 -6.944 5.028 1.00 0.39 H new ATOM 0 HA TRP A 34 -6.953 -4.497 4.419 1.00 0.38 H new ATOM 0 HB2 TRP A 34 -8.826 -4.179 2.920 1.00 0.40 H new ATOM 0 HB3 TRP A 34 -8.340 -5.862 2.867 1.00 0.40 H new ATOM 0 HD1 TRP A 34 -9.973 -7.606 4.375 1.00 0.47 H new ATOM 0 HE1 TRP A 34 -12.533 -7.543 4.744 1.00 0.50 H new ATOM 0 HE3 TRP A 34 -10.787 -2.719 3.130 1.00 0.38 H new ATOM 0 HZ2 TRP A 34 -14.588 -5.635 4.513 1.00 0.50 H new ATOM 0 HZ3 TRP A 34 -13.086 -1.841 3.226 1.00 0.45 H new ATOM 0 HH2 TRP A 34 -14.959 -3.281 3.913 1.00 0.50 H new ATOM 536 N GLN A 35 -9.399 -4.351 6.585 1.00 0.32 N ATOM 537 CA GLN A 35 -10.078 -3.485 7.542 1.00 0.33 C ATOM 538 C GLN A 35 -9.071 -2.783 8.447 1.00 0.32 C ATOM 539 O GLN A 35 -9.282 -1.644 8.863 1.00 0.35 O ATOM 540 CB GLN A 35 -11.062 -4.297 8.388 1.00 0.38 C ATOM 541 CG GLN A 35 -12.487 -3.772 8.335 1.00 1.12 C ATOM 542 CD GLN A 35 -13.514 -4.839 8.660 1.00 1.61 C ATOM 543 OE1 GLN A 35 -13.169 -5.991 8.926 1.00 2.15 O ATOM 544 NE2 GLN A 35 -14.786 -4.460 8.641 1.00 2.32 N ATOM 0 H GLN A 35 -9.621 -5.342 6.682 1.00 0.32 H new ATOM 0 HA GLN A 35 -10.629 -2.728 6.984 1.00 0.33 H new ATOM 0 HB2 GLN A 35 -11.052 -5.333 8.048 1.00 0.38 H new ATOM 0 HB3 GLN A 35 -10.723 -4.299 9.424 1.00 0.38 H new ATOM 0 HG2 GLN A 35 -12.592 -2.946 9.038 1.00 1.12 H new ATOM 0 HG3 GLN A 35 -12.686 -3.372 7.341 1.00 1.12 H new ATOM 0 HE21 GLN A 35 -15.027 -3.495 8.415 1.00 2.32 H new ATOM 0 HE22 GLN A 35 -15.522 -5.134 8.852 1.00 2.32 H new ATOM 553 N GLN A 36 -7.975 -3.473 8.747 1.00 0.33 N ATOM 554 CA GLN A 36 -6.931 -2.921 9.604 1.00 0.38 C ATOM 555 C GLN A 36 -6.162 -1.821 8.883 1.00 0.37 C ATOM 556 O GLN A 36 -5.715 -0.861 9.505 1.00 0.46 O ATOM 557 CB GLN A 36 -5.968 -4.024 10.048 1.00 0.45 C ATOM 558 CG GLN A 36 -6.413 -4.754 11.304 1.00 1.54 C ATOM 559 CD GLN A 36 -6.508 -6.254 11.100 1.00 2.38 C ATOM 560 OE1 GLN A 36 -7.284 -6.666 10.104 1.00 3.29 O flip ATOM 561 NE2 GLN A 36 -5.891 -7.031 11.828 1.00 2.41 N flip ATOM 0 H GLN A 36 -7.787 -4.417 8.409 1.00 0.33 H new ATOM 0 HA GLN A 36 -7.409 -2.490 10.484 1.00 0.38 H new ATOM 0 HB2 GLN A 36 -5.858 -4.746 9.239 1.00 0.45 H new ATOM 0 HB3 GLN A 36 -4.984 -3.587 10.221 1.00 0.45 H new ATOM 0 HG2 GLN A 36 -5.711 -4.544 12.111 1.00 1.54 H new ATOM 0 HG3 GLN A 36 -7.384 -4.371 11.619 1.00 1.54 H new ATOM 0 HE21 GLN A 36 -5.306 -6.669 12.581 1.00 2.41 H new ATOM 0 HE22 GLN A 36 -5.964 -8.037 11.678 1.00 2.41 H new ATOM 570 N LEU A 37 -6.012 -1.968 7.571 1.00 0.37 N ATOM 571 CA LEU A 37 -5.297 -0.979 6.772 1.00 0.40 C ATOM 572 C LEU A 37 -6.035 0.356 6.779 1.00 0.38 C ATOM 573 O LEU A 37 -5.482 1.380 7.180 1.00 0.42 O ATOM 574 CB LEU A 37 -5.130 -1.476 5.334 1.00 0.43 C ATOM 575 CG LEU A 37 -4.047 -2.538 5.136 1.00 0.46 C ATOM 576 CD1 LEU A 37 -4.474 -3.544 4.079 1.00 0.49 C ATOM 577 CD2 LEU A 37 -2.726 -1.888 4.752 1.00 0.65 C ATOM 0 H LEU A 37 -6.375 -2.760 7.040 1.00 0.37 H new ATOM 0 HA LEU A 37 -4.311 -0.834 7.213 1.00 0.40 H new ATOM 0 HB2 LEU A 37 -6.082 -1.883 4.994 1.00 0.43 H new ATOM 0 HB3 LEU A 37 -4.901 -0.623 4.695 1.00 0.43 H new ATOM 0 HG LEU A 37 -3.908 -3.068 6.078 1.00 0.46 H new ATOM 0 HD11 LEU A 37 -3.691 -4.292 3.951 1.00 0.49 H new ATOM 0 HD12 LEU A 37 -5.396 -4.033 4.394 1.00 0.49 H new ATOM 0 HD13 LEU A 37 -4.641 -3.029 3.133 1.00 0.49 H new ATOM 0 HD21 LEU A 37 -1.967 -2.659 4.615 1.00 0.65 H new ATOM 0 HD22 LEU A 37 -2.850 -1.332 3.822 1.00 0.65 H new ATOM 0 HD23 LEU A 37 -2.412 -1.206 5.543 1.00 0.65 H new ATOM 589 N ALA A 38 -7.287 0.334 6.325 1.00 0.36 N ATOM 590 CA ALA A 38 -8.113 1.537 6.273 1.00 0.37 C ATOM 591 C ALA A 38 -8.098 2.285 7.603 1.00 0.36 C ATOM 592 O ALA A 38 -7.768 3.470 7.656 1.00 0.41 O ATOM 593 CB ALA A 38 -9.540 1.177 5.887 1.00 0.39 C ATOM 0 H ALA A 38 -7.752 -0.508 5.987 1.00 0.36 H new ATOM 0 HA ALA A 38 -7.693 2.198 5.515 1.00 0.37 H new ATOM 0 HB1 ALA A 38 -10.147 2.082 5.851 1.00 0.39 H new ATOM 0 HB2 ALA A 38 -9.542 0.700 4.907 1.00 0.39 H new ATOM 0 HB3 ALA A 38 -9.955 0.491 6.626 1.00 0.39 H new ATOM 599 N THR A 39 -8.463 1.588 8.675 1.00 0.33 N ATOM 600 CA THR A 39 -8.496 2.188 10.005 1.00 0.36 C ATOM 601 C THR A 39 -7.119 2.693 10.424 1.00 0.37 C ATOM 602 O THR A 39 -6.999 3.759 11.030 1.00 0.40 O ATOM 603 CB THR A 39 -9.006 1.191 11.059 1.00 0.39 C ATOM 604 OG1 THR A 39 -10.075 0.406 10.516 1.00 0.36 O ATOM 605 CG2 THR A 39 -9.488 1.918 12.304 1.00 0.51 C ATOM 0 H THR A 39 -8.740 0.607 8.649 1.00 0.33 H new ATOM 0 HA THR A 39 -9.184 3.032 9.949 1.00 0.36 H new ATOM 0 HB THR A 39 -8.179 0.537 11.336 1.00 0.39 H new ATOM 0 HG1 THR A 39 -9.704 -0.353 10.019 1.00 0.36 H new ATOM 0 HG21 THR A 39 -9.844 1.192 13.035 1.00 0.51 H new ATOM 0 HG22 THR A 39 -8.665 2.491 12.732 1.00 0.51 H new ATOM 0 HG23 THR A 39 -10.301 2.594 12.039 1.00 0.51 H new ATOM 613 N ALA A 40 -6.083 1.920 10.107 1.00 0.38 N ATOM 614 CA ALA A 40 -4.715 2.296 10.455 1.00 0.43 C ATOM 615 C ALA A 40 -4.354 3.659 9.875 1.00 0.42 C ATOM 616 O ALA A 40 -3.580 4.411 10.469 1.00 0.47 O ATOM 617 CB ALA A 40 -3.733 1.240 9.967 1.00 0.47 C ATOM 0 H ALA A 40 -6.164 1.032 9.611 1.00 0.38 H new ATOM 0 HA ALA A 40 -4.652 2.362 11.541 1.00 0.43 H new ATOM 0 HB1 ALA A 40 -2.718 1.535 10.234 1.00 0.47 H new ATOM 0 HB2 ALA A 40 -3.967 0.283 10.433 1.00 0.47 H new ATOM 0 HB3 ALA A 40 -3.810 1.145 8.884 1.00 0.47 H new ATOM 623 N VAL A 41 -4.918 3.972 8.713 1.00 0.38 N ATOM 624 CA VAL A 41 -4.656 5.246 8.056 1.00 0.40 C ATOM 625 C VAL A 41 -5.837 6.197 8.217 1.00 0.41 C ATOM 626 O VAL A 41 -5.837 7.301 7.672 1.00 0.47 O ATOM 627 CB VAL A 41 -4.360 5.057 6.555 1.00 0.42 C ATOM 628 CG1 VAL A 41 -3.123 4.193 6.360 1.00 0.50 C ATOM 629 CG2 VAL A 41 -5.559 4.450 5.841 1.00 0.45 C ATOM 0 H VAL A 41 -5.559 3.361 8.208 1.00 0.38 H new ATOM 0 HA VAL A 41 -3.777 5.676 8.537 1.00 0.40 H new ATOM 0 HB VAL A 41 -4.166 6.037 6.118 1.00 0.42 H new ATOM 0 HG11 VAL A 41 -2.929 4.070 5.294 1.00 0.50 H new ATOM 0 HG12 VAL A 41 -2.266 4.673 6.832 1.00 0.50 H new ATOM 0 HG13 VAL A 41 -3.287 3.216 6.814 1.00 0.50 H new ATOM 0 HG21 VAL A 41 -5.328 4.326 4.783 1.00 0.45 H new ATOM 0 HG22 VAL A 41 -5.790 3.479 6.279 1.00 0.45 H new ATOM 0 HG23 VAL A 41 -6.419 5.110 5.949 1.00 0.45 H new ATOM 639 N LYS A 42 -6.841 5.756 8.973 1.00 0.38 N ATOM 640 CA LYS A 42 -8.037 6.558 9.217 1.00 0.41 C ATOM 641 C LYS A 42 -8.733 6.914 7.907 1.00 0.43 C ATOM 642 O LYS A 42 -8.395 7.907 7.261 1.00 0.53 O ATOM 643 CB LYS A 42 -7.681 7.834 9.985 1.00 0.51 C ATOM 644 CG LYS A 42 -8.888 8.685 10.344 1.00 0.77 C ATOM 645 CD LYS A 42 -9.719 8.042 11.442 1.00 1.05 C ATOM 646 CE LYS A 42 -11.208 8.222 11.191 1.00 1.32 C ATOM 647 NZ LYS A 42 -11.998 8.152 12.450 1.00 2.14 N ATOM 0 H LYS A 42 -6.849 4.843 9.429 1.00 0.38 H new ATOM 0 HA LYS A 42 -8.722 5.962 9.820 1.00 0.41 H new ATOM 0 HB2 LYS A 42 -7.154 7.562 10.899 1.00 0.51 H new ATOM 0 HB3 LYS A 42 -6.993 8.429 9.385 1.00 0.51 H new ATOM 0 HG2 LYS A 42 -8.555 9.671 10.669 1.00 0.77 H new ATOM 0 HG3 LYS A 42 -9.506 8.833 9.458 1.00 0.77 H new ATOM 0 HD2 LYS A 42 -9.485 6.979 11.502 1.00 1.05 H new ATOM 0 HD3 LYS A 42 -9.455 8.481 12.404 1.00 1.05 H new ATOM 0 HE2 LYS A 42 -11.381 9.184 10.708 1.00 1.32 H new ATOM 0 HE3 LYS A 42 -11.555 7.452 10.502 1.00 1.32 H new ATOM 0 HZ1 LYS A 42 -13.007 8.279 12.234 1.00 2.14 H new ATOM 0 HZ2 LYS A 42 -11.854 7.225 12.899 1.00 2.14 H new ATOM 0 HZ3 LYS A 42 -11.685 8.903 13.098 1.00 2.14 H new ATOM 661 N LEU A 43 -9.707 6.096 7.520 1.00 0.41 N ATOM 662 CA LEU A 43 -10.451 6.330 6.287 1.00 0.49 C ATOM 663 C LEU A 43 -11.901 6.689 6.588 1.00 0.49 C ATOM 664 O LEU A 43 -12.418 6.375 7.660 1.00 0.52 O ATOM 665 CB LEU A 43 -10.397 5.092 5.390 1.00 0.56 C ATOM 666 CG LEU A 43 -9.739 5.310 4.026 1.00 0.63 C ATOM 667 CD1 LEU A 43 -9.551 3.984 3.306 1.00 0.78 C ATOM 668 CD2 LEU A 43 -10.570 6.263 3.178 1.00 1.03 C ATOM 0 H LEU A 43 -9.999 5.268 8.040 1.00 0.41 H new ATOM 0 HA LEU A 43 -9.987 7.168 5.766 1.00 0.49 H new ATOM 0 HB2 LEU A 43 -9.857 4.304 5.915 1.00 0.56 H new ATOM 0 HB3 LEU A 43 -11.413 4.731 5.233 1.00 0.56 H new ATOM 0 HG LEU A 43 -8.758 5.757 4.186 1.00 0.63 H new ATOM 0 HD11 LEU A 43 -9.082 4.159 2.338 1.00 0.78 H new ATOM 0 HD12 LEU A 43 -8.915 3.332 3.905 1.00 0.78 H new ATOM 0 HD13 LEU A 43 -10.521 3.509 3.158 1.00 0.78 H new ATOM 0 HD21 LEU A 43 -10.086 6.406 2.212 1.00 1.03 H new ATOM 0 HD22 LEU A 43 -11.565 5.843 3.028 1.00 1.03 H new ATOM 0 HD23 LEU A 43 -10.655 7.223 3.687 1.00 1.03 H new ATOM 680 N TYR A 44 -12.552 7.350 5.637 1.00 0.50 N ATOM 681 CA TYR A 44 -13.943 7.752 5.803 1.00 0.53 C ATOM 682 C TYR A 44 -14.863 6.530 5.795 1.00 0.48 C ATOM 683 O TYR A 44 -14.760 5.680 4.909 1.00 0.48 O ATOM 684 CB TYR A 44 -14.352 8.720 4.693 1.00 0.60 C ATOM 685 CG TYR A 44 -13.692 10.077 4.796 1.00 0.74 C ATOM 686 CD1 TYR A 44 -14.196 11.053 5.646 1.00 0.94 C ATOM 687 CD2 TYR A 44 -12.566 10.382 4.041 1.00 0.91 C ATOM 688 CE1 TYR A 44 -13.597 12.294 5.742 1.00 1.14 C ATOM 689 CE2 TYR A 44 -11.961 11.621 4.132 1.00 1.10 C ATOM 690 CZ TYR A 44 -12.479 12.573 4.983 1.00 1.16 C ATOM 691 OH TYR A 44 -11.879 13.808 5.076 1.00 1.41 O ATOM 0 H TYR A 44 -12.139 7.618 4.744 1.00 0.50 H new ATOM 0 HA TYR A 44 -14.040 8.255 6.765 1.00 0.53 H new ATOM 0 HB2 TYR A 44 -14.105 8.278 3.728 1.00 0.60 H new ATOM 0 HB3 TYR A 44 -15.434 8.849 4.716 1.00 0.60 H new ATOM 0 HD1 TYR A 44 -15.071 10.838 6.242 1.00 0.94 H new ATOM 0 HD2 TYR A 44 -12.157 9.639 3.372 1.00 0.91 H new ATOM 0 HE1 TYR A 44 -14.002 13.042 6.408 1.00 1.14 H new ATOM 0 HE2 TYR A 44 -11.086 11.842 3.539 1.00 1.10 H new ATOM 0 HH TYR A 44 -11.104 13.841 4.477 1.00 1.41 H new ATOM 701 N PRO A 45 -15.774 6.421 6.782 1.00 0.62 N ATOM 702 CA PRO A 45 -16.707 5.290 6.873 1.00 0.65 C ATOM 703 C PRO A 45 -17.555 5.135 5.615 1.00 0.65 C ATOM 704 O PRO A 45 -18.111 4.067 5.358 1.00 0.70 O ATOM 705 CB PRO A 45 -17.588 5.644 8.075 1.00 0.86 C ATOM 706 CG PRO A 45 -16.767 6.590 8.879 1.00 1.32 C ATOM 707 CD PRO A 45 -15.970 7.380 7.884 1.00 0.87 C ATOM 0 HA PRO A 45 -16.183 4.340 6.981 1.00 0.65 H new ATOM 0 HB2 PRO A 45 -18.525 6.103 7.758 1.00 0.86 H new ATOM 0 HB3 PRO A 45 -17.847 4.756 8.651 1.00 0.86 H new ATOM 0 HG2 PRO A 45 -17.399 7.243 9.482 1.00 1.32 H new ATOM 0 HG3 PRO A 45 -16.114 6.054 9.568 1.00 1.32 H new ATOM 0 HD2 PRO A 45 -16.505 8.271 7.554 1.00 0.87 H new ATOM 0 HD3 PRO A 45 -15.021 7.715 8.302 1.00 0.87 H new ATOM 715 N ASP A 46 -17.651 6.207 4.834 1.00 0.67 N ATOM 716 CA ASP A 46 -18.429 6.188 3.599 1.00 0.74 C ATOM 717 C ASP A 46 -17.640 5.529 2.474 1.00 0.69 C ATOM 718 O ASP A 46 -18.215 4.900 1.584 1.00 0.76 O ATOM 719 CB ASP A 46 -18.824 7.610 3.195 1.00 0.89 C ATOM 720 CG ASP A 46 -19.116 8.494 4.392 1.00 1.26 C ATOM 721 OD1 ASP A 46 -20.271 8.485 4.869 1.00 1.77 O ATOM 722 OD2 ASP A 46 -18.191 9.195 4.853 1.00 2.01 O ATOM 0 H ASP A 46 -17.200 7.100 5.034 1.00 0.67 H new ATOM 0 HA ASP A 46 -19.333 5.606 3.777 1.00 0.74 H new ATOM 0 HB2 ASP A 46 -18.020 8.054 2.607 1.00 0.89 H new ATOM 0 HB3 ASP A 46 -19.704 7.571 2.553 1.00 0.89 H new ATOM 727 N GLN A 47 -16.320 5.676 2.521 1.00 0.63 N ATOM 728 CA GLN A 47 -15.448 5.095 1.506 1.00 0.68 C ATOM 729 C GLN A 47 -15.254 3.602 1.749 1.00 0.61 C ATOM 730 O GLN A 47 -15.093 2.826 0.806 1.00 0.65 O ATOM 731 CB GLN A 47 -14.092 5.804 1.500 1.00 0.75 C ATOM 732 CG GLN A 47 -14.195 7.308 1.303 1.00 0.78 C ATOM 733 CD GLN A 47 -13.953 7.726 -0.133 1.00 1.21 C ATOM 734 OE1 GLN A 47 -13.056 8.686 -0.328 1.00 1.94 O flip ATOM 735 NE2 GLN A 47 -14.566 7.193 -1.058 1.00 1.56 N flip ATOM 0 H GLN A 47 -15.830 6.193 3.251 1.00 0.63 H new ATOM 0 HA GLN A 47 -15.923 5.229 0.534 1.00 0.68 H new ATOM 0 HB2 GLN A 47 -13.582 5.603 2.442 1.00 0.75 H new ATOM 0 HB3 GLN A 47 -13.474 5.383 0.707 1.00 0.75 H new ATOM 0 HG2 GLN A 47 -15.184 7.644 1.614 1.00 0.78 H new ATOM 0 HG3 GLN A 47 -13.472 7.806 1.949 1.00 0.78 H new ATOM 0 HE21 GLN A 47 -15.247 6.459 -0.863 1.00 1.56 H new ATOM 0 HE22 GLN A 47 -14.393 7.485 -2.020 1.00 1.56 H new ATOM 744 N VAL A 48 -15.271 3.205 3.018 1.00 0.57 N ATOM 745 CA VAL A 48 -15.103 1.806 3.384 1.00 0.57 C ATOM 746 C VAL A 48 -16.259 0.976 2.842 1.00 0.55 C ATOM 747 O VAL A 48 -16.077 -0.164 2.413 1.00 0.51 O ATOM 748 CB VAL A 48 -14.999 1.640 4.918 1.00 0.61 C ATOM 749 CG1 VAL A 48 -16.336 1.251 5.536 1.00 0.88 C ATOM 750 CG2 VAL A 48 -13.924 0.626 5.274 1.00 0.75 C ATOM 0 H VAL A 48 -15.400 3.835 3.810 1.00 0.57 H new ATOM 0 HA VAL A 48 -14.173 1.450 2.941 1.00 0.57 H new ATOM 0 HB VAL A 48 -14.717 2.607 5.336 1.00 0.61 H new ATOM 0 HG11 VAL A 48 -16.221 1.144 6.615 1.00 0.88 H new ATOM 0 HG12 VAL A 48 -17.074 2.025 5.325 1.00 0.88 H new ATOM 0 HG13 VAL A 48 -16.672 0.305 5.111 1.00 0.88 H new ATOM 0 HG21 VAL A 48 -13.866 0.523 6.358 1.00 0.75 H new ATOM 0 HG22 VAL A 48 -14.172 -0.338 4.831 1.00 0.75 H new ATOM 0 HG23 VAL A 48 -12.962 0.965 4.890 1.00 0.75 H new ATOM 760 N GLU A 49 -17.449 1.563 2.871 1.00 0.60 N ATOM 761 CA GLU A 49 -18.646 0.898 2.375 1.00 0.63 C ATOM 762 C GLU A 49 -18.494 0.552 0.899 1.00 0.57 C ATOM 763 O GLU A 49 -18.897 -0.523 0.457 1.00 0.57 O ATOM 764 CB GLU A 49 -19.872 1.789 2.580 1.00 0.73 C ATOM 765 CG GLU A 49 -21.049 1.071 3.219 1.00 0.87 C ATOM 766 CD GLU A 49 -22.311 1.163 2.384 1.00 1.55 C ATOM 767 OE1 GLU A 49 -22.440 0.384 1.417 1.00 2.44 O ATOM 768 OE2 GLU A 49 -23.169 2.015 2.696 1.00 1.73 O ATOM 0 H GLU A 49 -17.610 2.502 3.235 1.00 0.60 H new ATOM 0 HA GLU A 49 -18.783 -0.026 2.937 1.00 0.63 H new ATOM 0 HB2 GLU A 49 -19.593 2.638 3.204 1.00 0.73 H new ATOM 0 HB3 GLU A 49 -20.183 2.191 1.616 1.00 0.73 H new ATOM 0 HG2 GLU A 49 -20.792 0.022 3.369 1.00 0.87 H new ATOM 0 HG3 GLU A 49 -21.238 1.497 4.205 1.00 0.87 H new ATOM 775 N GLN A 50 -17.908 1.475 0.141 1.00 0.56 N ATOM 776 CA GLN A 50 -17.693 1.274 -1.287 1.00 0.55 C ATOM 777 C GLN A 50 -16.821 0.048 -1.540 1.00 0.48 C ATOM 778 O GLN A 50 -17.070 -0.724 -2.467 1.00 0.56 O ATOM 779 CB GLN A 50 -17.042 2.513 -1.906 1.00 0.59 C ATOM 780 CG GLN A 50 -18.041 3.489 -2.509 1.00 0.91 C ATOM 781 CD GLN A 50 -18.152 4.775 -1.715 1.00 1.33 C ATOM 782 OE1 GLN A 50 -17.028 5.460 -1.535 1.00 2.12 O flip ATOM 783 NE2 GLN A 50 -19.237 5.151 -1.269 1.00 1.46 N flip ATOM 0 H GLN A 50 -17.573 2.371 0.494 1.00 0.56 H new ATOM 0 HA GLN A 50 -18.664 1.110 -1.755 1.00 0.55 H new ATOM 0 HB2 GLN A 50 -16.460 3.028 -1.141 1.00 0.59 H new ATOM 0 HB3 GLN A 50 -16.343 2.197 -2.680 1.00 0.59 H new ATOM 0 HG2 GLN A 50 -17.744 3.722 -3.531 1.00 0.91 H new ATOM 0 HG3 GLN A 50 -19.020 3.014 -2.563 1.00 0.91 H new ATOM 0 HE21 GLN A 50 -20.076 4.594 -1.431 1.00 1.46 H new ATOM 0 HE22 GLN A 50 -19.297 6.020 -0.738 1.00 1.46 H new ATOM 792 N ILE A 51 -15.797 -0.125 -0.708 1.00 0.40 N ATOM 793 CA ILE A 51 -14.886 -1.257 -0.840 1.00 0.38 C ATOM 794 C ILE A 51 -15.598 -2.571 -0.531 1.00 0.41 C ATOM 795 O ILE A 51 -15.489 -3.538 -1.285 1.00 0.47 O ATOM 796 CB ILE A 51 -13.667 -1.114 0.093 1.00 0.35 C ATOM 797 CG1 ILE A 51 -13.073 0.293 -0.017 1.00 0.39 C ATOM 798 CG2 ILE A 51 -12.618 -2.165 -0.240 1.00 0.38 C ATOM 799 CD1 ILE A 51 -12.137 0.646 1.118 1.00 0.42 C ATOM 0 H ILE A 51 -15.578 0.504 0.064 1.00 0.40 H new ATOM 0 HA ILE A 51 -14.540 -1.266 -1.874 1.00 0.38 H new ATOM 0 HB ILE A 51 -13.996 -1.269 1.121 1.00 0.35 H new ATOM 0 HG12 ILE A 51 -12.534 0.378 -0.961 1.00 0.39 H new ATOM 0 HG13 ILE A 51 -13.885 1.020 -0.047 1.00 0.39 H new ATOM 0 HG21 ILE A 51 -11.764 -2.051 0.427 1.00 0.38 H new ATOM 0 HG22 ILE A 51 -13.046 -3.159 -0.114 1.00 0.38 H new ATOM 0 HG23 ILE A 51 -12.291 -2.039 -1.272 1.00 0.38 H new ATOM 0 HD11 ILE A 51 -11.755 1.656 0.973 1.00 0.42 H new ATOM 0 HD12 ILE A 51 -12.676 0.594 2.064 1.00 0.42 H new ATOM 0 HD13 ILE A 51 -11.305 -0.058 1.136 1.00 0.42 H new ATOM 811 N SER A 52 -16.321 -2.598 0.586 1.00 0.43 N ATOM 812 CA SER A 52 -17.055 -3.791 0.998 1.00 0.50 C ATOM 813 C SER A 52 -17.974 -4.282 -0.117 1.00 0.52 C ATOM 814 O SER A 52 -18.203 -5.482 -0.262 1.00 0.59 O ATOM 815 CB SER A 52 -17.873 -3.504 2.257 1.00 0.57 C ATOM 816 OG SER A 52 -18.207 -4.704 2.933 1.00 1.42 O ATOM 0 H SER A 52 -16.414 -1.806 1.222 1.00 0.43 H new ATOM 0 HA SER A 52 -16.328 -4.574 1.215 1.00 0.50 H new ATOM 0 HB2 SER A 52 -17.305 -2.854 2.923 1.00 0.57 H new ATOM 0 HB3 SER A 52 -18.784 -2.969 1.989 1.00 0.57 H new ATOM 0 HG SER A 52 -18.729 -4.493 3.735 1.00 1.42 H new ATOM 822 N SER A 53 -18.500 -3.343 -0.900 1.00 0.54 N ATOM 823 CA SER A 53 -19.395 -3.679 -2.003 1.00 0.60 C ATOM 824 C SER A 53 -18.717 -4.625 -2.989 1.00 0.63 C ATOM 825 O SER A 53 -19.169 -5.753 -3.193 1.00 0.70 O ATOM 826 CB SER A 53 -19.846 -2.408 -2.726 1.00 0.68 C ATOM 827 OG SER A 53 -21.185 -2.526 -3.175 1.00 0.93 O ATOM 0 H SER A 53 -18.322 -2.345 -0.791 1.00 0.54 H new ATOM 0 HA SER A 53 -20.268 -4.183 -1.588 1.00 0.60 H new ATOM 0 HB2 SER A 53 -19.758 -1.553 -2.055 1.00 0.68 H new ATOM 0 HB3 SER A 53 -19.190 -2.216 -3.575 1.00 0.68 H new ATOM 0 HG SER A 53 -21.451 -1.701 -3.632 1.00 0.93 H new ATOM 833 N GLN A 54 -17.633 -4.159 -3.601 1.00 0.67 N ATOM 834 CA GLN A 54 -16.893 -4.962 -4.567 1.00 0.80 C ATOM 835 C GLN A 54 -16.343 -6.229 -3.920 1.00 0.81 C ATOM 836 O GLN A 54 -16.294 -7.288 -4.548 1.00 0.97 O ATOM 837 CB GLN A 54 -15.749 -4.145 -5.169 1.00 0.94 C ATOM 838 CG GLN A 54 -16.218 -3.016 -6.072 1.00 1.35 C ATOM 839 CD GLN A 54 -16.196 -3.397 -7.539 1.00 1.75 C ATOM 840 OE1 GLN A 54 -15.131 -3.532 -8.142 1.00 2.48 O ATOM 841 NE2 GLN A 54 -17.376 -3.572 -8.123 1.00 2.07 N ATOM 0 H GLN A 54 -17.247 -3.228 -3.444 1.00 0.67 H new ATOM 0 HA GLN A 54 -17.581 -5.253 -5.361 1.00 0.80 H new ATOM 0 HB2 GLN A 54 -15.148 -3.727 -4.362 1.00 0.94 H new ATOM 0 HB3 GLN A 54 -15.100 -4.809 -5.739 1.00 0.94 H new ATOM 0 HG2 GLN A 54 -17.231 -2.727 -5.790 1.00 1.35 H new ATOM 0 HG3 GLN A 54 -15.583 -2.144 -5.917 1.00 1.35 H new ATOM 0 HE21 GLN A 54 -18.234 -3.450 -7.585 1.00 2.07 H new ATOM 0 HE22 GLN A 54 -17.424 -3.829 -9.109 1.00 2.07 H new ATOM 850 N LYS A 55 -15.928 -6.113 -2.663 1.00 0.68 N ATOM 851 CA LYS A 55 -15.380 -7.246 -1.926 1.00 0.73 C ATOM 852 C LYS A 55 -16.409 -8.365 -1.795 1.00 0.86 C ATOM 853 O LYS A 55 -16.060 -9.546 -1.802 1.00 1.12 O ATOM 854 CB LYS A 55 -14.915 -6.801 -0.540 1.00 0.65 C ATOM 855 CG LYS A 55 -14.086 -7.846 0.189 1.00 0.74 C ATOM 856 CD LYS A 55 -14.566 -8.041 1.618 1.00 0.76 C ATOM 857 CE LYS A 55 -15.711 -9.040 1.689 1.00 1.36 C ATOM 858 NZ LYS A 55 -15.297 -10.311 2.345 1.00 1.77 N ATOM 0 H LYS A 55 -15.961 -5.243 -2.132 1.00 0.68 H new ATOM 0 HA LYS A 55 -14.526 -7.629 -2.484 1.00 0.73 H new ATOM 0 HB2 LYS A 55 -14.328 -5.888 -0.639 1.00 0.65 H new ATOM 0 HB3 LYS A 55 -15.788 -6.555 0.065 1.00 0.65 H new ATOM 0 HG2 LYS A 55 -14.141 -8.794 -0.347 1.00 0.74 H new ATOM 0 HG3 LYS A 55 -13.039 -7.543 0.194 1.00 0.74 H new ATOM 0 HD2 LYS A 55 -13.739 -8.389 2.237 1.00 0.76 H new ATOM 0 HD3 LYS A 55 -14.890 -7.084 2.028 1.00 0.76 H new ATOM 0 HE2 LYS A 55 -16.543 -8.601 2.240 1.00 1.36 H new ATOM 0 HE3 LYS A 55 -16.072 -9.251 0.682 1.00 1.36 H new ATOM 0 HZ1 LYS A 55 -16.105 -10.966 2.374 1.00 1.77 H new ATOM 0 HZ2 LYS A 55 -14.520 -10.743 1.805 1.00 1.77 H new ATOM 0 HZ3 LYS A 55 -14.977 -10.113 3.314 1.00 1.77 H new ATOM 872 N GLN A 56 -17.677 -7.985 -1.675 1.00 0.79 N ATOM 873 CA GLN A 56 -18.758 -8.957 -1.540 1.00 0.97 C ATOM 874 C GLN A 56 -18.819 -9.881 -2.753 1.00 1.12 C ATOM 875 O GLN A 56 -19.358 -10.986 -2.676 1.00 1.37 O ATOM 876 CB GLN A 56 -20.096 -8.238 -1.364 1.00 0.96 C ATOM 877 CG GLN A 56 -20.998 -8.881 -0.323 1.00 1.58 C ATOM 878 CD GLN A 56 -22.250 -9.483 -0.928 1.00 2.14 C ATOM 879 OE1 GLN A 56 -23.343 -8.932 -0.800 1.00 2.41 O ATOM 880 NE2 GLN A 56 -22.097 -10.622 -1.593 1.00 3.02 N ATOM 0 H GLN A 56 -17.982 -7.012 -1.668 1.00 0.79 H new ATOM 0 HA GLN A 56 -18.558 -9.564 -0.657 1.00 0.97 H new ATOM 0 HB2 GLN A 56 -19.908 -7.202 -1.081 1.00 0.96 H new ATOM 0 HB3 GLN A 56 -20.617 -8.217 -2.321 1.00 0.96 H new ATOM 0 HG2 GLN A 56 -20.443 -9.658 0.203 1.00 1.58 H new ATOM 0 HG3 GLN A 56 -21.280 -8.134 0.419 1.00 1.58 H new ATOM 0 HE21 GLN A 56 -21.172 -11.045 -1.675 1.00 3.02 H new ATOM 0 HE22 GLN A 56 -22.904 -11.074 -2.022 1.00 3.02 H new ATOM 889 N ARG A 57 -18.266 -9.422 -3.870 1.00 1.15 N ATOM 890 CA ARG A 57 -18.256 -10.208 -5.099 1.00 1.46 C ATOM 891 C ARG A 57 -17.020 -9.893 -5.935 1.00 1.58 C ATOM 892 O ARG A 57 -17.037 -8.987 -6.769 1.00 1.74 O ATOM 893 CB ARG A 57 -19.523 -9.939 -5.915 1.00 1.66 C ATOM 894 CG ARG A 57 -20.065 -8.527 -5.756 1.00 1.38 C ATOM 895 CD ARG A 57 -20.610 -7.987 -7.069 1.00 1.67 C ATOM 896 NE ARG A 57 -21.864 -7.262 -6.883 1.00 1.89 N ATOM 897 CZ ARG A 57 -22.623 -6.833 -7.886 1.00 2.38 C ATOM 898 NH1 ARG A 57 -22.254 -7.049 -9.142 1.00 2.83 N ATOM 899 NH2 ARG A 57 -23.753 -6.185 -7.634 1.00 2.99 N ATOM 0 H ARG A 57 -17.818 -8.509 -3.950 1.00 1.15 H new ATOM 0 HA ARG A 57 -18.228 -11.263 -4.826 1.00 1.46 H new ATOM 0 HB2 ARG A 57 -19.311 -10.121 -6.969 1.00 1.66 H new ATOM 0 HB3 ARG A 57 -20.294 -10.650 -5.618 1.00 1.66 H new ATOM 0 HG2 ARG A 57 -20.854 -8.522 -5.004 1.00 1.38 H new ATOM 0 HG3 ARG A 57 -19.274 -7.871 -5.392 1.00 1.38 H new ATOM 0 HD2 ARG A 57 -19.872 -7.325 -7.523 1.00 1.67 H new ATOM 0 HD3 ARG A 57 -20.768 -8.812 -7.763 1.00 1.67 H new ATOM 0 HE ARG A 57 -22.175 -7.074 -5.930 1.00 1.89 H new ATOM 0 HH11 ARG A 57 -21.385 -7.546 -9.340 1.00 2.83 H new ATOM 0 HH12 ARG A 57 -22.839 -6.718 -9.909 1.00 2.83 H new ATOM 0 HH21 ARG A 57 -24.040 -6.016 -6.670 1.00 2.99 H new ATOM 0 HH22 ARG A 57 -24.335 -5.856 -8.404 1.00 2.99 H new ATOM 913 N GLY A 58 -15.950 -10.647 -5.705 1.00 1.74 N ATOM 914 CA GLY A 58 -14.719 -10.436 -6.444 1.00 2.05 C ATOM 915 C GLY A 58 -13.505 -10.351 -5.541 1.00 1.56 C ATOM 916 O GLY A 58 -12.370 -10.465 -6.007 1.00 1.61 O ATOM 0 H GLY A 58 -15.914 -11.401 -5.019 1.00 1.74 H new ATOM 0 HA2 GLY A 58 -14.582 -11.251 -7.155 1.00 2.05 H new ATOM 0 HA3 GLY A 58 -14.801 -9.517 -7.024 1.00 2.05 H new ATOM 920 N ARG A 59 -13.744 -10.150 -4.247 1.00 1.40 N ATOM 921 CA ARG A 59 -12.662 -10.049 -3.271 1.00 1.48 C ATOM 922 C ARG A 59 -11.664 -8.965 -3.677 1.00 1.02 C ATOM 923 O ARG A 59 -12.026 -8.003 -4.356 1.00 1.47 O ATOM 924 CB ARG A 59 -11.954 -11.398 -3.123 1.00 2.32 C ATOM 925 CG ARG A 59 -12.807 -12.462 -2.453 1.00 3.01 C ATOM 926 CD ARG A 59 -12.187 -13.843 -2.593 1.00 3.79 C ATOM 927 NE ARG A 59 -12.774 -14.594 -3.701 1.00 4.29 N ATOM 928 CZ ARG A 59 -12.060 -15.151 -4.675 1.00 4.87 C ATOM 929 NH1 ARG A 59 -10.739 -15.046 -4.678 1.00 5.10 N ATOM 930 NH2 ARG A 59 -12.670 -15.816 -5.648 1.00 5.55 N ATOM 0 H ARG A 59 -14.679 -10.054 -3.850 1.00 1.40 H new ATOM 0 HA ARG A 59 -13.093 -9.772 -2.309 1.00 1.48 H new ATOM 0 HB2 ARG A 59 -11.655 -11.752 -4.110 1.00 2.32 H new ATOM 0 HB3 ARG A 59 -11.041 -11.258 -2.544 1.00 2.32 H new ATOM 0 HG2 ARG A 59 -12.927 -12.221 -1.397 1.00 3.01 H new ATOM 0 HG3 ARG A 59 -13.803 -12.463 -2.895 1.00 3.01 H new ATOM 0 HD2 ARG A 59 -11.113 -13.745 -2.750 1.00 3.79 H new ATOM 0 HD3 ARG A 59 -12.324 -14.398 -1.665 1.00 3.79 H new ATOM 0 HE ARG A 59 -13.788 -14.697 -3.729 1.00 4.29 H new ATOM 0 HH11 ARG A 59 -10.266 -14.537 -3.931 1.00 5.10 H new ATOM 0 HH12 ARG A 59 -10.195 -15.475 -5.427 1.00 5.10 H new ATOM 0 HH21 ARG A 59 -13.687 -15.900 -5.649 1.00 5.55 H new ATOM 0 HH22 ARG A 59 -12.122 -16.243 -6.395 1.00 5.55 H new ATOM 944 N SER A 60 -10.410 -9.125 -3.256 1.00 0.87 N ATOM 945 CA SER A 60 -9.363 -8.160 -3.576 1.00 0.54 C ATOM 946 C SER A 60 -9.731 -6.770 -3.065 1.00 0.42 C ATOM 947 O SER A 60 -9.637 -5.782 -3.794 1.00 0.40 O ATOM 948 CB SER A 60 -9.115 -8.117 -5.086 1.00 0.77 C ATOM 949 OG SER A 60 -9.495 -9.335 -5.700 1.00 1.51 O ATOM 0 H SER A 60 -10.096 -9.915 -2.692 1.00 0.87 H new ATOM 0 HA SER A 60 -8.447 -8.479 -3.079 1.00 0.54 H new ATOM 0 HB2 SER A 60 -9.677 -7.293 -5.527 1.00 0.77 H new ATOM 0 HB3 SER A 60 -8.060 -7.923 -5.279 1.00 0.77 H new ATOM 0 HG SER A 60 -9.328 -9.281 -6.664 1.00 1.51 H new ATOM 955 N ALA A 61 -10.151 -6.705 -1.806 1.00 0.38 N ATOM 956 CA ALA A 61 -10.537 -5.441 -1.191 1.00 0.33 C ATOM 957 C ALA A 61 -9.371 -4.457 -1.170 1.00 0.29 C ATOM 958 O ALA A 61 -9.572 -3.243 -1.214 1.00 0.27 O ATOM 959 CB ALA A 61 -11.054 -5.678 0.220 1.00 0.39 C ATOM 0 H ALA A 61 -10.233 -7.515 -1.191 1.00 0.38 H new ATOM 0 HA ALA A 61 -11.334 -5.004 -1.792 1.00 0.33 H new ATOM 0 HB1 ALA A 61 -11.339 -4.726 0.668 1.00 0.39 H new ATOM 0 HB2 ALA A 61 -11.922 -6.336 0.184 1.00 0.39 H new ATOM 0 HB3 ALA A 61 -10.272 -6.142 0.821 1.00 0.39 H new ATOM 965 N SER A 62 -8.154 -4.989 -1.104 1.00 0.33 N ATOM 966 CA SER A 62 -6.957 -4.156 -1.078 1.00 0.34 C ATOM 967 C SER A 62 -6.810 -3.376 -2.379 1.00 0.31 C ATOM 968 O SER A 62 -6.231 -2.291 -2.400 1.00 0.31 O ATOM 969 CB SER A 62 -5.713 -5.014 -0.839 1.00 0.42 C ATOM 970 OG SER A 62 -6.062 -6.372 -0.632 1.00 0.66 O ATOM 0 H SER A 62 -7.971 -5.992 -1.068 1.00 0.33 H new ATOM 0 HA SER A 62 -7.059 -3.445 -0.258 1.00 0.34 H new ATOM 0 HB2 SER A 62 -5.042 -4.934 -1.695 1.00 0.42 H new ATOM 0 HB3 SER A 62 -5.170 -4.639 0.028 1.00 0.42 H new ATOM 0 HG SER A 62 -5.495 -6.944 -1.190 1.00 0.66 H new ATOM 976 N ASN A 63 -7.334 -3.938 -3.465 1.00 0.32 N ATOM 977 CA ASN A 63 -7.266 -3.288 -4.768 1.00 0.32 C ATOM 978 C ASN A 63 -7.989 -1.946 -4.736 1.00 0.31 C ATOM 979 O ASN A 63 -7.435 -0.921 -5.134 1.00 0.33 O ATOM 980 CB ASN A 63 -7.874 -4.183 -5.845 1.00 0.35 C ATOM 981 CG ASN A 63 -6.957 -4.357 -7.041 1.00 0.92 C ATOM 982 OD1 ASN A 63 -5.736 -4.259 -6.922 1.00 1.40 O ATOM 983 ND2 ASN A 63 -7.545 -4.616 -8.203 1.00 1.79 N ATOM 0 H ASN A 63 -7.809 -4.840 -3.467 1.00 0.32 H new ATOM 0 HA ASN A 63 -6.217 -3.114 -5.007 1.00 0.32 H new ATOM 0 HB2 ASN A 63 -8.097 -5.160 -5.417 1.00 0.35 H new ATOM 0 HB3 ASN A 63 -8.821 -3.756 -6.176 1.00 0.35 H new ATOM 0 HD21 ASN A 63 -6.981 -4.742 -9.043 1.00 1.79 H new ATOM 0 HD22 ASN A 63 -8.561 -4.689 -8.255 1.00 1.79 H new ATOM 990 N GLU A 64 -9.230 -1.964 -4.258 1.00 0.31 N ATOM 991 CA GLU A 64 -10.029 -0.748 -4.165 1.00 0.33 C ATOM 992 C GLU A 64 -9.418 0.219 -3.159 1.00 0.31 C ATOM 993 O GLU A 64 -9.385 1.429 -3.386 1.00 0.34 O ATOM 994 CB GLU A 64 -11.464 -1.084 -3.758 1.00 0.37 C ATOM 995 CG GLU A 64 -12.248 -1.812 -4.837 1.00 0.87 C ATOM 996 CD GLU A 64 -12.734 -0.881 -5.932 1.00 1.10 C ATOM 997 OE1 GLU A 64 -11.989 -0.682 -6.915 1.00 1.66 O ATOM 998 OE2 GLU A 64 -13.858 -0.351 -5.804 1.00 1.72 O ATOM 0 H GLU A 64 -9.703 -2.806 -3.930 1.00 0.31 H new ATOM 0 HA GLU A 64 -10.041 -0.272 -5.145 1.00 0.33 H new ATOM 0 HB2 GLU A 64 -11.443 -1.699 -2.858 1.00 0.37 H new ATOM 0 HB3 GLU A 64 -11.985 -0.162 -3.501 1.00 0.37 H new ATOM 0 HG2 GLU A 64 -11.621 -2.588 -5.276 1.00 0.87 H new ATOM 0 HG3 GLU A 64 -13.104 -2.313 -4.384 1.00 0.87 H new ATOM 1005 N PHE A 65 -8.937 -0.324 -2.044 1.00 0.29 N ATOM 1006 CA PHE A 65 -8.320 0.487 -1.001 1.00 0.29 C ATOM 1007 C PHE A 65 -7.150 1.287 -1.563 1.00 0.30 C ATOM 1008 O PHE A 65 -7.021 2.483 -1.306 1.00 0.33 O ATOM 1009 CB PHE A 65 -7.843 -0.402 0.152 1.00 0.30 C ATOM 1010 CG PHE A 65 -6.931 0.299 1.120 1.00 0.31 C ATOM 1011 CD1 PHE A 65 -7.411 1.311 1.936 1.00 0.41 C ATOM 1012 CD2 PHE A 65 -5.594 -0.055 1.216 1.00 0.35 C ATOM 1013 CE1 PHE A 65 -6.578 1.957 2.828 1.00 0.50 C ATOM 1014 CE2 PHE A 65 -4.754 0.587 2.106 1.00 0.42 C ATOM 1015 CZ PHE A 65 -5.241 1.595 2.907 1.00 0.48 C ATOM 0 H PHE A 65 -8.963 -1.323 -1.840 1.00 0.29 H new ATOM 0 HA PHE A 65 -9.068 1.185 -0.623 1.00 0.29 H new ATOM 0 HB2 PHE A 65 -8.712 -0.778 0.692 1.00 0.30 H new ATOM 0 HB3 PHE A 65 -7.325 -1.268 -0.259 1.00 0.30 H new ATOM 0 HD1 PHE A 65 -8.450 1.598 1.873 1.00 0.41 H new ATOM 0 HD2 PHE A 65 -5.204 -0.842 0.588 1.00 0.35 H new ATOM 0 HE1 PHE A 65 -6.966 2.741 3.462 1.00 0.50 H new ATOM 0 HE2 PHE A 65 -3.716 0.298 2.173 1.00 0.42 H new ATOM 0 HZ PHE A 65 -4.583 2.103 3.596 1.00 0.48 H new ATOM 1025 N LEU A 66 -6.296 0.616 -2.330 1.00 0.32 N ATOM 1026 CA LEU A 66 -5.135 1.261 -2.930 1.00 0.35 C ATOM 1027 C LEU A 66 -5.560 2.330 -3.932 1.00 0.37 C ATOM 1028 O LEU A 66 -4.868 3.329 -4.118 1.00 0.42 O ATOM 1029 CB LEU A 66 -4.244 0.224 -3.620 1.00 0.39 C ATOM 1030 CG LEU A 66 -2.963 -0.150 -2.865 1.00 0.49 C ATOM 1031 CD1 LEU A 66 -2.053 1.061 -2.715 1.00 0.65 C ATOM 1032 CD2 LEU A 66 -3.295 -0.742 -1.503 1.00 0.61 C ATOM 0 H LEU A 66 -6.387 -0.376 -2.550 1.00 0.32 H new ATOM 0 HA LEU A 66 -4.569 1.742 -2.132 1.00 0.35 H new ATOM 0 HB2 LEU A 66 -4.828 -0.682 -3.781 1.00 0.39 H new ATOM 0 HB3 LEU A 66 -3.968 0.604 -4.603 1.00 0.39 H new ATOM 0 HG LEU A 66 -2.434 -0.905 -3.447 1.00 0.49 H new ATOM 0 HD11 LEU A 66 -1.150 0.773 -2.176 1.00 0.65 H new ATOM 0 HD12 LEU A 66 -1.783 1.437 -3.702 1.00 0.65 H new ATOM 0 HD13 LEU A 66 -2.574 1.841 -2.159 1.00 0.65 H new ATOM 0 HD21 LEU A 66 -2.372 -1.001 -0.984 1.00 0.61 H new ATOM 0 HD22 LEU A 66 -3.850 -0.012 -0.914 1.00 0.61 H new ATOM 0 HD23 LEU A 66 -3.901 -1.639 -1.634 1.00 0.61 H new ATOM 1044 N ASN A 67 -6.700 2.109 -4.580 1.00 0.37 N ATOM 1045 CA ASN A 67 -7.216 3.052 -5.565 1.00 0.42 C ATOM 1046 C ASN A 67 -7.547 4.399 -4.925 1.00 0.41 C ATOM 1047 O ASN A 67 -7.104 5.447 -5.395 1.00 0.66 O ATOM 1048 CB ASN A 67 -8.461 2.479 -6.246 1.00 0.47 C ATOM 1049 CG ASN A 67 -8.221 2.150 -7.706 1.00 0.84 C ATOM 1050 OD1 ASN A 67 -8.119 3.042 -8.549 1.00 1.10 O ATOM 1051 ND2 ASN A 67 -8.130 0.861 -8.015 1.00 1.48 N ATOM 0 H ASN A 67 -7.284 1.284 -4.440 1.00 0.37 H new ATOM 0 HA ASN A 67 -6.438 3.212 -6.312 1.00 0.42 H new ATOM 0 HB2 ASN A 67 -8.777 1.578 -5.720 1.00 0.47 H new ATOM 0 HB3 ASN A 67 -9.278 3.197 -6.168 1.00 0.47 H new ATOM 0 HD21 ASN A 67 -7.970 0.578 -8.982 1.00 1.48 H new ATOM 0 HD22 ASN A 67 -8.220 0.154 -7.285 1.00 1.48 H new ATOM 1058 N ILE A 68 -8.328 4.362 -3.849 1.00 0.33 N ATOM 1059 CA ILE A 68 -8.731 5.579 -3.147 1.00 0.35 C ATOM 1060 C ILE A 68 -7.575 6.184 -2.355 1.00 0.35 C ATOM 1061 O ILE A 68 -7.291 7.376 -2.467 1.00 0.41 O ATOM 1062 CB ILE A 68 -9.906 5.310 -2.188 1.00 0.40 C ATOM 1063 CG1 ILE A 68 -11.004 4.514 -2.898 1.00 0.43 C ATOM 1064 CG2 ILE A 68 -10.461 6.619 -1.646 1.00 0.46 C ATOM 1065 CD1 ILE A 68 -11.805 3.628 -1.968 1.00 0.52 C ATOM 0 H ILE A 68 -8.695 3.501 -3.443 1.00 0.33 H new ATOM 0 HA ILE A 68 -9.044 6.287 -3.914 1.00 0.35 H new ATOM 0 HB ILE A 68 -9.539 4.718 -1.349 1.00 0.40 H new ATOM 0 HG12 ILE A 68 -11.680 5.208 -3.397 1.00 0.43 H new ATOM 0 HG13 ILE A 68 -10.551 3.897 -3.674 1.00 0.43 H new ATOM 0 HG21 ILE A 68 -11.290 6.410 -0.970 1.00 0.46 H new ATOM 0 HG22 ILE A 68 -9.678 7.150 -1.106 1.00 0.46 H new ATOM 0 HG23 ILE A 68 -10.813 7.235 -2.473 1.00 0.46 H new ATOM 0 HD11 ILE A 68 -12.565 3.094 -2.539 1.00 0.52 H new ATOM 0 HD12 ILE A 68 -11.140 2.910 -1.488 1.00 0.52 H new ATOM 0 HD13 ILE A 68 -12.287 4.241 -1.207 1.00 0.52 H new ATOM 1077 N TRP A 69 -6.914 5.357 -1.551 1.00 0.35 N ATOM 1078 CA TRP A 69 -5.796 5.815 -0.731 1.00 0.38 C ATOM 1079 C TRP A 69 -4.577 6.131 -1.592 1.00 0.45 C ATOM 1080 O TRP A 69 -3.607 6.723 -1.117 1.00 0.62 O ATOM 1081 CB TRP A 69 -5.438 4.757 0.315 1.00 0.42 C ATOM 1082 CG TRP A 69 -4.503 5.259 1.372 1.00 0.43 C ATOM 1083 CD1 TRP A 69 -4.806 6.103 2.402 1.00 0.45 C ATOM 1084 CD2 TRP A 69 -3.111 4.952 1.502 1.00 0.48 C ATOM 1085 NE1 TRP A 69 -3.688 6.338 3.165 1.00 0.48 N ATOM 1086 CE2 TRP A 69 -2.633 5.642 2.633 1.00 0.50 C ATOM 1087 CE3 TRP A 69 -2.220 4.157 0.773 1.00 0.55 C ATOM 1088 CZ2 TRP A 69 -1.307 5.563 3.049 1.00 0.57 C ATOM 1089 CZ3 TRP A 69 -0.903 4.080 1.188 1.00 0.62 C ATOM 1090 CH2 TRP A 69 -0.458 4.779 2.316 1.00 0.63 C ATOM 0 H TRP A 69 -7.133 4.366 -1.449 1.00 0.35 H new ATOM 0 HA TRP A 69 -6.103 6.730 -0.224 1.00 0.38 H new ATOM 0 HB2 TRP A 69 -6.353 4.401 0.789 1.00 0.42 H new ATOM 0 HB3 TRP A 69 -4.984 3.901 -0.185 1.00 0.42 H new ATOM 0 HD1 TRP A 69 -5.783 6.524 2.589 1.00 0.45 H new ATOM 0 HE1 TRP A 69 -3.649 6.933 3.992 1.00 0.48 H new ATOM 0 HE3 TRP A 69 -2.555 3.613 -0.098 1.00 0.55 H new ATOM 0 HZ2 TRP A 69 -0.961 6.101 3.919 1.00 0.57 H new ATOM 0 HZ3 TRP A 69 -0.206 3.470 0.632 1.00 0.62 H new ATOM 0 HH2 TRP A 69 0.577 4.698 2.614 1.00 0.63 H new ATOM 1101 N GLY A 70 -4.634 5.736 -2.858 1.00 0.59 N ATOM 1102 CA GLY A 70 -3.528 5.987 -3.763 1.00 0.74 C ATOM 1103 C GLY A 70 -3.910 6.909 -4.903 1.00 0.86 C ATOM 1104 O GLY A 70 -3.735 6.566 -6.072 1.00 1.08 O ATOM 0 H GLY A 70 -5.426 5.246 -3.274 1.00 0.59 H new ATOM 0 HA2 GLY A 70 -2.700 6.426 -3.207 1.00 0.74 H new ATOM 0 HA3 GLY A 70 -3.173 5.040 -4.169 1.00 0.74 H new ATOM 1108 N GLY A 71 -4.433 8.082 -4.562 1.00 0.96 N ATOM 1109 CA GLY A 71 -4.835 9.040 -5.576 1.00 1.16 C ATOM 1110 C GLY A 71 -5.204 10.386 -4.987 1.00 1.26 C ATOM 1111 O GLY A 71 -4.915 11.429 -5.574 1.00 1.54 O ATOM 0 H GLY A 71 -4.586 8.387 -3.601 1.00 0.96 H new ATOM 0 HA2 GLY A 71 -4.023 9.170 -6.291 1.00 1.16 H new ATOM 0 HA3 GLY A 71 -5.686 8.643 -6.129 1.00 1.16 H new ATOM 1115 N GLN A 72 -5.844 10.364 -3.822 1.00 1.15 N ATOM 1116 CA GLN A 72 -6.256 11.593 -3.152 1.00 1.31 C ATOM 1117 C GLN A 72 -5.216 12.024 -2.124 1.00 1.31 C ATOM 1118 O GLN A 72 -5.284 13.129 -1.582 1.00 1.64 O ATOM 1119 CB GLN A 72 -7.613 11.397 -2.474 1.00 1.35 C ATOM 1120 CG GLN A 72 -8.616 10.639 -3.331 1.00 1.21 C ATOM 1121 CD GLN A 72 -10.046 10.829 -2.864 1.00 1.42 C ATOM 1122 OE1 GLN A 72 -10.326 11.665 -2.004 1.00 1.84 O ATOM 1123 NE2 GLN A 72 -10.962 10.050 -3.429 1.00 1.99 N ATOM 0 H GLN A 72 -6.089 9.509 -3.322 1.00 1.15 H new ATOM 0 HA GLN A 72 -6.344 12.378 -3.903 1.00 1.31 H new ATOM 0 HB2 GLN A 72 -7.468 10.859 -1.537 1.00 1.35 H new ATOM 0 HB3 GLN A 72 -8.028 12.373 -2.220 1.00 1.35 H new ATOM 0 HG2 GLN A 72 -8.529 10.972 -4.365 1.00 1.21 H new ATOM 0 HG3 GLN A 72 -8.371 9.577 -3.316 1.00 1.21 H new ATOM 0 HE21 GLN A 72 -10.686 9.370 -4.138 1.00 1.99 H new ATOM 0 HE22 GLN A 72 -11.941 10.132 -3.154 1.00 1.99 H new ATOM 1132 N TYR A 73 -4.254 11.146 -1.860 1.00 1.08 N ATOM 1133 CA TYR A 73 -3.196 11.434 -0.898 1.00 1.16 C ATOM 1134 C TYR A 73 -1.852 11.592 -1.602 1.00 1.24 C ATOM 1135 O TYR A 73 -0.920 12.184 -1.056 1.00 1.49 O ATOM 1136 CB TYR A 73 -3.112 10.320 0.147 1.00 1.13 C ATOM 1137 CG TYR A 73 -4.258 10.332 1.134 1.00 1.13 C ATOM 1138 CD1 TYR A 73 -4.214 11.130 2.271 1.00 1.46 C ATOM 1139 CD2 TYR A 73 -5.384 9.544 0.929 1.00 0.90 C ATOM 1140 CE1 TYR A 73 -5.258 11.142 3.175 1.00 1.53 C ATOM 1141 CE2 TYR A 73 -6.433 9.551 1.828 1.00 0.97 C ATOM 1142 CZ TYR A 73 -6.366 10.355 2.949 1.00 1.27 C ATOM 1143 OH TYR A 73 -7.408 10.359 3.847 1.00 1.38 O ATOM 0 H TYR A 73 -4.185 10.228 -2.299 1.00 1.08 H new ATOM 0 HA TYR A 73 -3.436 12.372 -0.398 1.00 1.16 H new ATOM 0 HB2 TYR A 73 -3.091 9.356 -0.362 1.00 1.13 H new ATOM 0 HB3 TYR A 73 -2.173 10.414 0.692 1.00 1.13 H new ATOM 0 HD1 TYR A 73 -3.349 11.751 2.451 1.00 1.46 H new ATOM 0 HD2 TYR A 73 -5.440 8.916 0.052 1.00 0.90 H new ATOM 0 HE1 TYR A 73 -5.206 11.766 4.055 1.00 1.53 H new ATOM 0 HE2 TYR A 73 -7.300 8.931 1.655 1.00 0.97 H new ATOM 0 HH TYR A 73 -8.110 9.750 3.536 1.00 1.38 H new ATOM 1153 N ASN A 74 -1.761 11.055 -2.817 1.00 1.23 N ATOM 1154 CA ASN A 74 -0.536 11.134 -3.610 1.00 1.34 C ATOM 1155 C ASN A 74 0.650 10.528 -2.865 1.00 0.95 C ATOM 1156 O ASN A 74 1.790 10.960 -3.038 1.00 1.38 O ATOM 1157 CB ASN A 74 -0.233 12.590 -3.977 1.00 1.91 C ATOM 1158 CG ASN A 74 -1.222 13.152 -4.980 1.00 2.53 C ATOM 1159 OD1 ASN A 74 -1.928 14.120 -4.698 1.00 3.01 O ATOM 1160 ND2 ASN A 74 -1.277 12.546 -6.160 1.00 3.10 N ATOM 0 H ASN A 74 -2.525 10.558 -3.275 1.00 1.23 H new ATOM 0 HA ASN A 74 -0.694 10.558 -4.522 1.00 1.34 H new ATOM 0 HB2 ASN A 74 -0.249 13.200 -3.074 1.00 1.91 H new ATOM 0 HB3 ASN A 74 0.774 12.656 -4.388 1.00 1.91 H new ATOM 0 HD21 ASN A 74 -1.923 12.880 -6.875 1.00 3.10 H new ATOM 0 HD22 ASN A 74 -0.673 11.746 -6.351 1.00 3.10 H new ATOM 1167 N HIS A 75 0.375 9.525 -2.037 1.00 0.64 N ATOM 1168 CA HIS A 75 1.423 8.861 -1.271 1.00 0.65 C ATOM 1169 C HIS A 75 2.201 7.887 -2.150 1.00 0.56 C ATOM 1170 O HIS A 75 1.631 7.235 -3.024 1.00 1.01 O ATOM 1171 CB HIS A 75 0.818 8.119 -0.077 1.00 1.06 C ATOM 1172 CG HIS A 75 0.748 8.946 1.167 1.00 1.69 C ATOM 1173 ND1 HIS A 75 1.805 9.701 1.631 1.00 2.23 N ATOM 1174 CD2 HIS A 75 -0.263 9.139 2.049 1.00 2.43 C ATOM 1175 CE1 HIS A 75 1.448 10.320 2.743 1.00 2.72 C ATOM 1176 NE2 HIS A 75 0.198 9.995 3.016 1.00 2.80 N ATOM 0 H HIS A 75 -0.563 9.155 -1.880 1.00 0.64 H new ATOM 0 HA HIS A 75 2.112 9.622 -0.905 1.00 0.65 H new ATOM 0 HB2 HIS A 75 -0.186 7.785 -0.338 1.00 1.06 H new ATOM 0 HB3 HIS A 75 1.410 7.226 0.123 1.00 1.06 H new ATOM 0 HD2 HIS A 75 -1.249 8.700 1.999 1.00 2.43 H new ATOM 0 HE1 HIS A 75 2.072 10.979 3.328 1.00 2.72 H new ATOM 0 HE2 HIS A 75 -0.339 10.327 3.817 1.00 2.80 H new ATOM 1185 N THR A 76 3.507 7.793 -1.914 1.00 0.64 N ATOM 1186 CA THR A 76 4.361 6.898 -2.687 1.00 0.64 C ATOM 1187 C THR A 76 4.421 5.513 -2.053 1.00 0.51 C ATOM 1188 O THR A 76 3.822 5.272 -1.005 1.00 0.43 O ATOM 1189 CB THR A 76 5.793 7.454 -2.817 1.00 0.89 C ATOM 1190 OG1 THR A 76 6.520 7.224 -1.604 1.00 1.17 O ATOM 1191 CG2 THR A 76 5.772 8.943 -3.126 1.00 1.07 C ATOM 0 H THR A 76 3.996 8.325 -1.194 1.00 0.64 H new ATOM 0 HA THR A 76 3.919 6.822 -3.681 1.00 0.64 H new ATOM 0 HB THR A 76 6.285 6.936 -3.640 1.00 0.89 H new ATOM 0 HG1 THR A 76 7.287 7.833 -1.562 1.00 1.17 H new ATOM 0 HG21 THR A 76 6.794 9.311 -3.213 1.00 1.07 H new ATOM 0 HG22 THR A 76 5.244 9.112 -4.065 1.00 1.07 H new ATOM 0 HG23 THR A 76 5.262 9.474 -2.322 1.00 1.07 H new ATOM 1199 N VAL A 77 5.148 4.604 -2.697 1.00 0.53 N ATOM 1200 CA VAL A 77 5.286 3.240 -2.198 1.00 0.49 C ATOM 1201 C VAL A 77 5.997 3.218 -0.849 1.00 0.40 C ATOM 1202 O VAL A 77 5.848 2.273 -0.074 1.00 0.39 O ATOM 1203 CB VAL A 77 6.066 2.354 -3.189 1.00 0.61 C ATOM 1204 CG1 VAL A 77 5.902 0.882 -2.838 1.00 1.22 C ATOM 1205 CG2 VAL A 77 5.616 2.622 -4.616 1.00 1.25 C ATOM 0 H VAL A 77 5.650 4.788 -3.565 1.00 0.53 H new ATOM 0 HA VAL A 77 4.278 2.843 -2.083 1.00 0.49 H new ATOM 0 HB VAL A 77 7.124 2.605 -3.113 1.00 0.61 H new ATOM 0 HG11 VAL A 77 6.460 0.274 -3.550 1.00 1.22 H new ATOM 0 HG12 VAL A 77 6.281 0.703 -1.832 1.00 1.22 H new ATOM 0 HG13 VAL A 77 4.847 0.613 -2.881 1.00 1.22 H new ATOM 0 HG21 VAL A 77 6.179 1.987 -5.300 1.00 1.25 H new ATOM 0 HG22 VAL A 77 4.552 2.403 -4.709 1.00 1.25 H new ATOM 0 HG23 VAL A 77 5.794 3.669 -4.863 1.00 1.25 H new ATOM 1215 N GLN A 78 6.769 4.265 -0.574 1.00 0.42 N ATOM 1216 CA GLN A 78 7.504 4.364 0.683 1.00 0.42 C ATOM 1217 C GLN A 78 6.555 4.289 1.872 1.00 0.37 C ATOM 1218 O GLN A 78 6.693 3.420 2.733 1.00 0.35 O ATOM 1219 CB GLN A 78 8.296 5.669 0.733 1.00 0.54 C ATOM 1220 CG GLN A 78 9.743 5.481 1.156 1.00 1.05 C ATOM 1221 CD GLN A 78 9.886 5.229 2.643 1.00 1.49 C ATOM 1222 OE1 GLN A 78 10.125 4.101 3.073 1.00 2.24 O ATOM 1223 NE2 GLN A 78 9.742 6.282 3.438 1.00 1.87 N ATOM 0 H GLN A 78 6.902 5.056 -1.204 1.00 0.42 H new ATOM 0 HA GLN A 78 8.197 3.524 0.738 1.00 0.42 H new ATOM 0 HB2 GLN A 78 8.271 6.138 -0.250 1.00 0.54 H new ATOM 0 HB3 GLN A 78 7.809 6.355 1.426 1.00 0.54 H new ATOM 0 HG2 GLN A 78 10.173 4.644 0.606 1.00 1.05 H new ATOM 0 HG3 GLN A 78 10.315 6.368 0.885 1.00 1.05 H new ATOM 0 HE21 GLN A 78 9.544 7.199 3.038 1.00 1.87 H new ATOM 0 HE22 GLN A 78 9.829 6.174 4.449 1.00 1.87 H new ATOM 1232 N THR A 79 5.596 5.208 1.913 1.00 0.42 N ATOM 1233 CA THR A 79 4.616 5.245 2.992 1.00 0.45 C ATOM 1234 C THR A 79 3.928 3.895 3.149 1.00 0.39 C ATOM 1235 O THR A 79 3.615 3.469 4.261 1.00 0.40 O ATOM 1236 CB THR A 79 3.549 6.329 2.746 1.00 0.56 C ATOM 1237 OG1 THR A 79 4.175 7.542 2.309 1.00 0.65 O ATOM 1238 CG2 THR A 79 2.746 6.595 4.010 1.00 0.71 C ATOM 0 H THR A 79 5.477 5.938 1.211 1.00 0.42 H new ATOM 0 HA THR A 79 5.158 5.484 3.907 1.00 0.45 H new ATOM 0 HB THR A 79 2.870 5.970 1.972 1.00 0.56 H new ATOM 0 HG1 THR A 79 3.487 8.196 2.067 1.00 0.65 H new ATOM 0 HG21 THR A 79 1.999 7.364 3.812 1.00 0.71 H new ATOM 0 HG22 THR A 79 2.248 5.678 4.324 1.00 0.71 H new ATOM 0 HG23 THR A 79 3.415 6.934 4.801 1.00 0.71 H new ATOM 1246 N LEU A 80 3.694 3.227 2.023 1.00 0.35 N ATOM 1247 CA LEU A 80 3.048 1.920 2.027 1.00 0.34 C ATOM 1248 C LEU A 80 3.887 0.905 2.798 1.00 0.32 C ATOM 1249 O LEU A 80 3.355 0.069 3.527 1.00 0.34 O ATOM 1250 CB LEU A 80 2.824 1.439 0.590 1.00 0.37 C ATOM 1251 CG LEU A 80 2.422 -0.030 0.444 1.00 0.42 C ATOM 1252 CD1 LEU A 80 1.101 -0.298 1.148 1.00 0.47 C ATOM 1253 CD2 LEU A 80 2.330 -0.408 -1.026 1.00 0.50 C ATOM 0 H LEU A 80 3.943 3.571 1.095 1.00 0.35 H new ATOM 0 HA LEU A 80 2.082 2.014 2.524 1.00 0.34 H new ATOM 0 HB2 LEU A 80 2.050 2.057 0.135 1.00 0.37 H new ATOM 0 HB3 LEU A 80 3.740 1.606 0.022 1.00 0.37 H new ATOM 0 HG LEU A 80 3.189 -0.646 0.914 1.00 0.42 H new ATOM 0 HD11 LEU A 80 0.833 -1.348 1.032 1.00 0.47 H new ATOM 0 HD12 LEU A 80 1.199 -0.064 2.208 1.00 0.47 H new ATOM 0 HD13 LEU A 80 0.322 0.325 0.709 1.00 0.47 H new ATOM 0 HD21 LEU A 80 2.043 -1.456 -1.115 1.00 0.50 H new ATOM 0 HD22 LEU A 80 1.582 0.216 -1.516 1.00 0.50 H new ATOM 0 HD23 LEU A 80 3.298 -0.255 -1.502 1.00 0.50 H new ATOM 1265 N PHE A 81 5.204 0.986 2.627 1.00 0.33 N ATOM 1266 CA PHE A 81 6.123 0.080 3.304 1.00 0.36 C ATOM 1267 C PHE A 81 6.004 0.216 4.820 1.00 0.37 C ATOM 1268 O PHE A 81 5.885 -0.779 5.534 1.00 0.38 O ATOM 1269 CB PHE A 81 7.563 0.363 2.868 1.00 0.41 C ATOM 1270 CG PHE A 81 8.517 -0.754 3.182 1.00 0.47 C ATOM 1271 CD1 PHE A 81 9.147 -0.817 4.414 1.00 0.55 C ATOM 1272 CD2 PHE A 81 8.780 -1.741 2.246 1.00 0.59 C ATOM 1273 CE1 PHE A 81 10.026 -1.843 4.705 1.00 0.67 C ATOM 1274 CE2 PHE A 81 9.657 -2.770 2.532 1.00 0.71 C ATOM 1275 CZ PHE A 81 10.283 -2.821 3.760 1.00 0.73 C ATOM 0 H PHE A 81 5.658 1.672 2.024 1.00 0.33 H new ATOM 0 HA PHE A 81 5.859 -0.940 3.026 1.00 0.36 H new ATOM 0 HB2 PHE A 81 7.578 0.552 1.795 1.00 0.41 H new ATOM 0 HB3 PHE A 81 7.909 1.274 3.357 1.00 0.41 H new ATOM 0 HD1 PHE A 81 8.949 -0.056 5.155 1.00 0.55 H new ATOM 0 HD2 PHE A 81 8.294 -1.706 1.282 1.00 0.59 H new ATOM 0 HE1 PHE A 81 10.512 -1.882 5.669 1.00 0.67 H new ATOM 0 HE2 PHE A 81 9.852 -3.534 1.794 1.00 0.71 H new ATOM 0 HZ PHE A 81 10.972 -3.622 3.984 1.00 0.73 H new ATOM 1285 N ALA A 82 6.037 1.455 5.301 1.00 0.45 N ATOM 1286 CA ALA A 82 5.936 1.727 6.730 1.00 0.52 C ATOM 1287 C ALA A 82 4.611 1.227 7.297 1.00 0.45 C ATOM 1288 O ALA A 82 4.509 0.928 8.487 1.00 0.43 O ATOM 1289 CB ALA A 82 6.095 3.217 6.994 1.00 0.67 C ATOM 0 H ALA A 82 6.133 2.288 4.720 1.00 0.45 H new ATOM 0 HA ALA A 82 6.740 1.189 7.233 1.00 0.52 H new ATOM 0 HB1 ALA A 82 6.018 3.407 8.064 1.00 0.67 H new ATOM 0 HB2 ALA A 82 7.070 3.548 6.636 1.00 0.67 H new ATOM 0 HB3 ALA A 82 5.311 3.765 6.471 1.00 0.67 H new ATOM 1295 N LEU A 83 3.599 1.139 6.440 1.00 0.44 N ATOM 1296 CA LEU A 83 2.281 0.675 6.858 1.00 0.41 C ATOM 1297 C LEU A 83 2.328 -0.792 7.276 1.00 0.36 C ATOM 1298 O LEU A 83 1.872 -1.153 8.361 1.00 0.36 O ATOM 1299 CB LEU A 83 1.268 0.863 5.727 1.00 0.46 C ATOM 1300 CG LEU A 83 -0.127 1.309 6.171 1.00 0.53 C ATOM 1301 CD1 LEU A 83 -0.979 1.674 4.965 1.00 1.08 C ATOM 1302 CD2 LEU A 83 -0.803 0.219 6.991 1.00 1.23 C ATOM 0 H LEU A 83 3.666 1.383 5.452 1.00 0.44 H new ATOM 0 HA LEU A 83 1.970 1.269 7.717 1.00 0.41 H new ATOM 0 HB2 LEU A 83 1.662 1.599 5.026 1.00 0.46 H new ATOM 0 HB3 LEU A 83 1.176 -0.077 5.183 1.00 0.46 H new ATOM 0 HG LEU A 83 -0.020 2.194 6.799 1.00 0.53 H new ATOM 0 HD11 LEU A 83 -1.967 1.989 5.300 1.00 1.08 H new ATOM 0 HD12 LEU A 83 -0.505 2.489 4.418 1.00 1.08 H new ATOM 0 HD13 LEU A 83 -1.076 0.807 4.312 1.00 1.08 H new ATOM 0 HD21 LEU A 83 -1.794 0.555 7.297 1.00 1.23 H new ATOM 0 HD22 LEU A 83 -0.897 -0.684 6.388 1.00 1.23 H new ATOM 0 HD23 LEU A 83 -0.203 0.004 7.876 1.00 1.23 H new ATOM 1314 N PHE A 84 2.882 -1.633 6.406 1.00 0.37 N ATOM 1315 CA PHE A 84 2.989 -3.061 6.684 1.00 0.39 C ATOM 1316 C PHE A 84 3.769 -3.311 7.970 1.00 0.39 C ATOM 1317 O PHE A 84 3.481 -4.253 8.707 1.00 0.41 O ATOM 1318 CB PHE A 84 3.668 -3.780 5.516 1.00 0.45 C ATOM 1319 CG PHE A 84 2.883 -3.736 4.233 1.00 0.41 C ATOM 1320 CD1 PHE A 84 1.529 -4.039 4.218 1.00 0.46 C ATOM 1321 CD2 PHE A 84 3.501 -3.395 3.041 1.00 0.40 C ATOM 1322 CE1 PHE A 84 0.809 -4.002 3.040 1.00 0.46 C ATOM 1323 CE2 PHE A 84 2.787 -3.358 1.859 1.00 0.41 C ATOM 1324 CZ PHE A 84 1.438 -3.661 1.858 1.00 0.42 C ATOM 0 H PHE A 84 3.263 -1.350 5.503 1.00 0.37 H new ATOM 0 HA PHE A 84 1.981 -3.456 6.810 1.00 0.39 H new ATOM 0 HB2 PHE A 84 4.647 -3.332 5.347 1.00 0.45 H new ATOM 0 HB3 PHE A 84 3.837 -4.821 5.792 1.00 0.45 H new ATOM 0 HD1 PHE A 84 1.032 -4.307 5.139 1.00 0.46 H new ATOM 0 HD2 PHE A 84 4.554 -3.155 3.036 1.00 0.40 H new ATOM 0 HE1 PHE A 84 -0.245 -4.239 3.043 1.00 0.46 H new ATOM 0 HE2 PHE A 84 3.282 -3.093 0.937 1.00 0.41 H new ATOM 0 HZ PHE A 84 0.877 -3.631 0.935 1.00 0.42 H new ATOM 1334 N LYS A 85 4.761 -2.463 8.227 1.00 0.43 N ATOM 1335 CA LYS A 85 5.586 -2.586 9.424 1.00 0.47 C ATOM 1336 C LYS A 85 4.725 -2.633 10.682 1.00 0.48 C ATOM 1337 O LYS A 85 5.031 -3.355 11.630 1.00 0.51 O ATOM 1338 CB LYS A 85 6.572 -1.419 9.511 1.00 0.56 C ATOM 1339 CG LYS A 85 8.015 -1.852 9.712 1.00 0.83 C ATOM 1340 CD LYS A 85 8.917 -0.665 10.007 1.00 0.64 C ATOM 1341 CE LYS A 85 10.382 -1.066 10.023 1.00 1.03 C ATOM 1342 NZ LYS A 85 10.761 -1.742 11.294 1.00 1.59 N ATOM 0 H LYS A 85 5.013 -1.682 7.621 1.00 0.43 H new ATOM 0 HA LYS A 85 6.142 -3.521 9.354 1.00 0.47 H new ATOM 0 HB2 LYS A 85 6.503 -0.828 8.598 1.00 0.56 H new ATOM 0 HB3 LYS A 85 6.279 -0.768 10.335 1.00 0.56 H new ATOM 0 HG2 LYS A 85 8.071 -2.566 10.534 1.00 0.83 H new ATOM 0 HG3 LYS A 85 8.369 -2.366 8.819 1.00 0.83 H new ATOM 0 HD2 LYS A 85 8.759 0.108 9.255 1.00 0.64 H new ATOM 0 HD3 LYS A 85 8.647 -0.233 10.971 1.00 0.64 H new ATOM 0 HE2 LYS A 85 10.585 -1.731 9.184 1.00 1.03 H new ATOM 0 HE3 LYS A 85 11.002 -0.180 9.885 1.00 1.03 H new ATOM 0 HZ1 LYS A 85 11.768 -1.999 11.264 1.00 1.59 H new ATOM 0 HZ2 LYS A 85 10.592 -1.098 12.093 1.00 1.59 H new ATOM 0 HZ3 LYS A 85 10.188 -2.602 11.414 1.00 1.59 H new ATOM 1356 N LYS A 86 3.648 -1.853 10.684 1.00 0.52 N ATOM 1357 CA LYS A 86 2.739 -1.801 11.823 1.00 0.59 C ATOM 1358 C LYS A 86 2.162 -3.180 12.129 1.00 0.61 C ATOM 1359 O LYS A 86 2.038 -3.568 13.291 1.00 0.69 O ATOM 1360 CB LYS A 86 1.604 -0.811 11.552 1.00 0.71 C ATOM 1361 CG LYS A 86 1.061 -0.151 12.809 1.00 1.05 C ATOM 1362 CD LYS A 86 -0.456 -0.056 12.778 1.00 1.31 C ATOM 1363 CE LYS A 86 -1.105 -1.390 13.111 1.00 1.84 C ATOM 1364 NZ LYS A 86 -1.654 -1.411 14.495 1.00 2.31 N ATOM 0 H LYS A 86 3.384 -1.247 9.907 1.00 0.52 H new ATOM 0 HA LYS A 86 3.308 -1.466 12.691 1.00 0.59 H new ATOM 0 HB2 LYS A 86 1.961 -0.038 10.871 1.00 0.71 H new ATOM 0 HB3 LYS A 86 0.792 -1.332 11.045 1.00 0.71 H new ATOM 0 HG2 LYS A 86 1.373 -0.721 13.684 1.00 1.05 H new ATOM 0 HG3 LYS A 86 1.487 0.847 12.910 1.00 1.05 H new ATOM 0 HD2 LYS A 86 -0.789 0.699 13.490 1.00 1.31 H new ATOM 0 HD3 LYS A 86 -0.781 0.271 11.790 1.00 1.31 H new ATOM 0 HE2 LYS A 86 -1.906 -1.591 12.400 1.00 1.84 H new ATOM 0 HE3 LYS A 86 -0.371 -2.188 12.999 1.00 1.84 H new ATOM 0 HZ1 LYS A 86 -2.088 -2.338 14.682 1.00 2.31 H new ATOM 0 HZ2 LYS A 86 -0.886 -1.244 15.176 1.00 2.31 H new ATOM 0 HZ3 LYS A 86 -2.373 -0.666 14.595 1.00 2.31 H new ATOM 1378 N LEU A 87 1.810 -3.918 11.079 1.00 0.61 N ATOM 1379 CA LEU A 87 1.242 -5.252 11.239 1.00 0.70 C ATOM 1380 C LEU A 87 2.328 -6.323 11.192 1.00 0.63 C ATOM 1381 O LEU A 87 2.039 -7.516 11.290 1.00 0.74 O ATOM 1382 CB LEU A 87 0.199 -5.520 10.153 1.00 0.80 C ATOM 1383 CG LEU A 87 -1.118 -4.758 10.318 1.00 1.04 C ATOM 1384 CD1 LEU A 87 -1.599 -4.225 8.978 1.00 1.57 C ATOM 1385 CD2 LEU A 87 -2.174 -5.653 10.951 1.00 1.46 C ATOM 0 H LEU A 87 1.908 -3.615 10.110 1.00 0.61 H new ATOM 0 HA LEU A 87 0.761 -5.295 12.216 1.00 0.70 H new ATOM 0 HB2 LEU A 87 0.630 -5.264 9.185 1.00 0.80 H new ATOM 0 HB3 LEU A 87 -0.017 -6.588 10.134 1.00 0.80 H new ATOM 0 HG LEU A 87 -0.945 -3.909 10.980 1.00 1.04 H new ATOM 0 HD11 LEU A 87 -2.536 -3.686 9.116 1.00 1.57 H new ATOM 0 HD12 LEU A 87 -0.850 -3.550 8.565 1.00 1.57 H new ATOM 0 HD13 LEU A 87 -1.756 -5.056 8.291 1.00 1.57 H new ATOM 0 HD21 LEU A 87 -3.104 -5.096 11.061 1.00 1.46 H new ATOM 0 HD22 LEU A 87 -2.344 -6.521 10.314 1.00 1.46 H new ATOM 0 HD23 LEU A 87 -1.831 -5.984 11.931 1.00 1.46 H new ATOM 1397 N LYS A 88 3.577 -5.889 11.040 1.00 0.52 N ATOM 1398 CA LYS A 88 4.711 -6.808 10.983 1.00 0.53 C ATOM 1399 C LYS A 88 4.537 -7.830 9.862 1.00 0.51 C ATOM 1400 O LYS A 88 4.756 -9.025 10.058 1.00 0.56 O ATOM 1401 CB LYS A 88 4.879 -7.527 12.324 1.00 0.69 C ATOM 1402 CG LYS A 88 4.920 -6.587 13.518 1.00 1.16 C ATOM 1403 CD LYS A 88 6.317 -6.499 14.110 1.00 1.45 C ATOM 1404 CE LYS A 88 7.226 -5.621 13.265 1.00 2.05 C ATOM 1405 NZ LYS A 88 8.484 -6.323 12.889 1.00 2.87 N ATOM 0 H LYS A 88 3.830 -4.905 10.954 1.00 0.52 H new ATOM 0 HA LYS A 88 5.607 -6.223 10.775 1.00 0.53 H new ATOM 0 HB2 LYS A 88 4.057 -8.231 12.455 1.00 0.69 H new ATOM 0 HB3 LYS A 88 5.799 -8.111 12.301 1.00 0.69 H new ATOM 0 HG2 LYS A 88 4.590 -5.594 13.212 1.00 1.16 H new ATOM 0 HG3 LYS A 88 4.222 -6.934 14.280 1.00 1.16 H new ATOM 0 HD2 LYS A 88 6.260 -6.098 15.122 1.00 1.45 H new ATOM 0 HD3 LYS A 88 6.744 -7.499 14.187 1.00 1.45 H new ATOM 0 HE2 LYS A 88 6.698 -5.315 12.362 1.00 2.05 H new ATOM 0 HE3 LYS A 88 7.468 -4.713 13.817 1.00 2.05 H new ATOM 0 HZ1 LYS A 88 9.076 -5.690 12.314 1.00 2.87 H new ATOM 0 HZ2 LYS A 88 9.001 -6.593 13.750 1.00 2.87 H new ATOM 0 HZ3 LYS A 88 8.255 -7.176 12.341 1.00 2.87 H new ATOM 1419 N LEU A 89 4.141 -7.352 8.686 1.00 0.47 N ATOM 1420 CA LEU A 89 3.940 -8.225 7.534 1.00 0.46 C ATOM 1421 C LEU A 89 5.232 -8.372 6.735 1.00 0.45 C ATOM 1422 O LEU A 89 5.418 -7.714 5.711 1.00 0.43 O ATOM 1423 CB LEU A 89 2.828 -7.676 6.639 1.00 0.48 C ATOM 1424 CG LEU A 89 1.452 -7.582 7.298 1.00 0.78 C ATOM 1425 CD1 LEU A 89 0.552 -6.639 6.515 1.00 1.25 C ATOM 1426 CD2 LEU A 89 0.817 -8.961 7.406 1.00 1.31 C ATOM 0 H LEU A 89 3.953 -6.366 8.506 1.00 0.47 H new ATOM 0 HA LEU A 89 3.646 -9.209 7.899 1.00 0.46 H new ATOM 0 HB2 LEU A 89 3.117 -6.683 6.294 1.00 0.48 H new ATOM 0 HB3 LEU A 89 2.748 -8.309 5.755 1.00 0.48 H new ATOM 0 HG LEU A 89 1.577 -7.182 8.304 1.00 0.78 H new ATOM 0 HD11 LEU A 89 -0.424 -6.583 6.997 1.00 1.25 H new ATOM 0 HD12 LEU A 89 1.001 -5.646 6.488 1.00 1.25 H new ATOM 0 HD13 LEU A 89 0.433 -7.011 5.497 1.00 1.25 H new ATOM 0 HD21 LEU A 89 -0.162 -8.875 7.878 1.00 1.31 H new ATOM 0 HD22 LEU A 89 0.704 -9.388 6.410 1.00 1.31 H new ATOM 0 HD23 LEU A 89 1.454 -9.609 8.008 1.00 1.31 H new ATOM 1438 N HIS A 90 6.120 -9.239 7.213 1.00 0.55 N ATOM 1439 CA HIS A 90 7.399 -9.478 6.550 1.00 0.64 C ATOM 1440 C HIS A 90 7.203 -9.835 5.078 1.00 0.60 C ATOM 1441 O HIS A 90 8.035 -9.502 4.234 1.00 0.69 O ATOM 1442 CB HIS A 90 8.163 -10.598 7.261 1.00 0.81 C ATOM 1443 CG HIS A 90 9.287 -10.107 8.120 1.00 0.97 C ATOM 1444 ND1 HIS A 90 10.612 -10.401 7.868 1.00 1.62 N ATOM 1445 CD2 HIS A 90 9.281 -9.335 9.234 1.00 0.98 C ATOM 1446 CE1 HIS A 90 11.370 -9.833 8.789 1.00 1.84 C ATOM 1447 NE2 HIS A 90 10.588 -9.180 9.628 1.00 1.38 N ATOM 0 H HIS A 90 5.977 -9.789 8.060 1.00 0.55 H new ATOM 0 HA HIS A 90 7.979 -8.557 6.602 1.00 0.64 H new ATOM 0 HB2 HIS A 90 7.467 -11.166 7.878 1.00 0.81 H new ATOM 0 HB3 HIS A 90 8.561 -11.285 6.514 1.00 0.81 H new ATOM 0 HD2 HIS A 90 8.411 -8.919 9.721 1.00 0.98 H new ATOM 0 HE1 HIS A 90 12.447 -9.893 8.846 1.00 1.84 H new ATOM 0 HE2 HIS A 90 10.903 -8.646 10.438 1.00 1.38 H new ATOM 1456 N ASN A 91 6.098 -10.510 4.777 1.00 0.54 N ATOM 1457 CA ASN A 91 5.798 -10.915 3.406 1.00 0.55 C ATOM 1458 C ASN A 91 5.471 -9.708 2.532 1.00 0.46 C ATOM 1459 O ASN A 91 6.107 -9.487 1.501 1.00 0.45 O ATOM 1460 CB ASN A 91 4.627 -11.900 3.389 1.00 0.63 C ATOM 1461 CG ASN A 91 5.086 -13.345 3.389 1.00 1.13 C ATOM 1462 OD1 ASN A 91 5.313 -13.936 2.334 1.00 1.98 O ATOM 1463 ND2 ASN A 91 5.224 -13.920 4.578 1.00 1.60 N ATOM 0 H ASN A 91 5.396 -10.788 5.462 1.00 0.54 H new ATOM 0 HA ASN A 91 6.685 -11.402 3.000 1.00 0.55 H new ATOM 0 HB2 ASN A 91 3.994 -11.723 4.259 1.00 0.63 H new ATOM 0 HB3 ASN A 91 4.014 -11.716 2.506 1.00 0.63 H new ATOM 0 HD21 ASN A 91 5.530 -14.891 4.643 1.00 1.60 H new ATOM 0 HD22 ASN A 91 5.024 -13.391 5.427 1.00 1.60 H new ATOM 1470 N ALA A 92 4.473 -8.934 2.951 1.00 0.42 N ATOM 1471 CA ALA A 92 4.051 -7.749 2.209 1.00 0.39 C ATOM 1472 C ALA A 92 5.233 -6.837 1.896 1.00 0.36 C ATOM 1473 O ALA A 92 5.306 -6.250 0.816 1.00 0.38 O ATOM 1474 CB ALA A 92 2.992 -6.991 2.995 1.00 0.41 C ATOM 0 H ALA A 92 3.940 -9.107 3.803 1.00 0.42 H new ATOM 0 HA ALA A 92 3.626 -8.078 1.261 1.00 0.39 H new ATOM 0 HB1 ALA A 92 2.684 -6.109 2.433 1.00 0.41 H new ATOM 0 HB2 ALA A 92 2.129 -7.637 3.159 1.00 0.41 H new ATOM 0 HB3 ALA A 92 3.403 -6.683 3.957 1.00 0.41 H new ATOM 1480 N MET A 93 6.154 -6.715 2.848 1.00 0.39 N ATOM 1481 CA MET A 93 7.334 -5.878 2.665 1.00 0.43 C ATOM 1482 C MET A 93 8.155 -6.352 1.471 1.00 0.40 C ATOM 1483 O MET A 93 8.333 -5.621 0.497 1.00 0.39 O ATOM 1484 CB MET A 93 8.193 -5.888 3.931 1.00 0.55 C ATOM 1485 CG MET A 93 7.681 -4.960 5.021 1.00 0.71 C ATOM 1486 SD MET A 93 7.633 -5.752 6.640 1.00 1.06 S ATOM 1487 CE MET A 93 9.300 -5.443 7.217 1.00 1.29 C ATOM 0 H MET A 93 6.105 -7.185 3.752 1.00 0.39 H new ATOM 0 HA MET A 93 7.001 -4.858 2.471 1.00 0.43 H new ATOM 0 HB2 MET A 93 8.237 -6.904 4.322 1.00 0.55 H new ATOM 0 HB3 MET A 93 9.212 -5.602 3.671 1.00 0.55 H new ATOM 0 HG2 MET A 93 8.319 -4.078 5.071 1.00 0.71 H new ATOM 0 HG3 MET A 93 6.681 -4.615 4.759 1.00 0.71 H new ATOM 0 HE1 MET A 93 9.427 -5.874 8.210 1.00 1.29 H new ATOM 0 HE2 MET A 93 10.013 -5.898 6.530 1.00 1.29 H new ATOM 0 HE3 MET A 93 9.476 -4.368 7.263 1.00 1.29 H new ATOM 1497 N ARG A 94 8.656 -7.582 1.557 1.00 0.44 N ATOM 1498 CA ARG A 94 9.455 -8.167 0.485 1.00 0.45 C ATOM 1499 C ARG A 94 8.657 -8.259 -0.813 1.00 0.44 C ATOM 1500 O ARG A 94 9.215 -8.513 -1.880 1.00 0.49 O ATOM 1501 CB ARG A 94 9.946 -9.558 0.891 1.00 0.55 C ATOM 1502 CG ARG A 94 11.158 -9.531 1.806 1.00 1.28 C ATOM 1503 CD ARG A 94 10.943 -10.390 3.042 1.00 1.44 C ATOM 1504 NE ARG A 94 11.357 -11.774 2.824 1.00 1.97 N ATOM 1505 CZ ARG A 94 10.972 -12.790 3.592 1.00 2.47 C ATOM 1506 NH1 ARG A 94 10.170 -12.577 4.626 1.00 2.58 N ATOM 1507 NH2 ARG A 94 11.389 -14.020 3.325 1.00 3.39 N ATOM 0 H ARG A 94 8.522 -8.194 2.362 1.00 0.44 H new ATOM 0 HA ARG A 94 10.313 -7.516 0.314 1.00 0.45 H new ATOM 0 HB2 ARG A 94 9.136 -10.089 1.391 1.00 0.55 H new ATOM 0 HB3 ARG A 94 10.192 -10.124 -0.007 1.00 0.55 H new ATOM 0 HG2 ARG A 94 12.033 -9.887 1.262 1.00 1.28 H new ATOM 0 HG3 ARG A 94 11.365 -8.504 2.107 1.00 1.28 H new ATOM 0 HD2 ARG A 94 11.504 -9.971 3.877 1.00 1.44 H new ATOM 0 HD3 ARG A 94 9.890 -10.366 3.322 1.00 1.44 H new ATOM 0 HE ARG A 94 11.976 -11.973 2.038 1.00 1.97 H new ATOM 0 HH11 ARG A 94 9.847 -11.632 4.834 1.00 2.58 H new ATOM 0 HH12 ARG A 94 9.876 -13.358 5.213 1.00 2.58 H new ATOM 0 HH21 ARG A 94 12.006 -14.188 2.530 1.00 3.39 H new ATOM 0 HH22 ARG A 94 11.093 -14.798 3.915 1.00 3.39 H new ATOM 1521 N LEU A 95 7.347 -8.059 -0.715 1.00 0.44 N ATOM 1522 CA LEU A 95 6.473 -8.128 -1.880 1.00 0.47 C ATOM 1523 C LEU A 95 6.635 -6.897 -2.770 1.00 0.46 C ATOM 1524 O LEU A 95 6.390 -6.959 -3.974 1.00 0.52 O ATOM 1525 CB LEU A 95 5.015 -8.262 -1.436 1.00 0.53 C ATOM 1526 CG LEU A 95 4.158 -9.199 -2.287 1.00 0.55 C ATOM 1527 CD1 LEU A 95 3.164 -9.953 -1.419 1.00 0.79 C ATOM 1528 CD2 LEU A 95 3.429 -8.418 -3.366 1.00 0.67 C ATOM 0 H LEU A 95 6.867 -7.848 0.160 1.00 0.44 H new ATOM 0 HA LEU A 95 6.757 -9.006 -2.461 1.00 0.47 H new ATOM 0 HB2 LEU A 95 4.997 -8.616 -0.405 1.00 0.53 H new ATOM 0 HB3 LEU A 95 4.558 -7.272 -1.442 1.00 0.53 H new ATOM 0 HG LEU A 95 4.816 -9.924 -2.766 1.00 0.55 H new ATOM 0 HD11 LEU A 95 2.564 -10.614 -2.044 1.00 0.79 H new ATOM 0 HD12 LEU A 95 3.703 -10.544 -0.678 1.00 0.79 H new ATOM 0 HD13 LEU A 95 2.512 -9.242 -0.912 1.00 0.79 H new ATOM 0 HD21 LEU A 95 2.824 -9.100 -3.963 1.00 0.67 H new ATOM 0 HD22 LEU A 95 2.784 -7.672 -2.902 1.00 0.67 H new ATOM 0 HD23 LEU A 95 4.155 -7.921 -4.009 1.00 0.67 H new ATOM 1540 N ILE A 96 7.048 -5.782 -2.173 1.00 0.43 N ATOM 1541 CA ILE A 96 7.232 -4.542 -2.918 1.00 0.50 C ATOM 1542 C ILE A 96 8.572 -3.887 -2.593 1.00 0.61 C ATOM 1543 O ILE A 96 8.625 -2.855 -1.922 1.00 1.29 O ATOM 1544 CB ILE A 96 6.095 -3.539 -2.637 1.00 0.58 C ATOM 1545 CG1 ILE A 96 5.719 -3.554 -1.153 1.00 0.52 C ATOM 1546 CG2 ILE A 96 4.884 -3.859 -3.500 1.00 0.76 C ATOM 1547 CD1 ILE A 96 5.666 -2.175 -0.529 1.00 0.48 C ATOM 0 H ILE A 96 7.261 -5.713 -1.178 1.00 0.43 H new ATOM 0 HA ILE A 96 7.215 -4.809 -3.975 1.00 0.50 H new ATOM 0 HB ILE A 96 6.445 -2.538 -2.890 1.00 0.58 H new ATOM 0 HG12 ILE A 96 4.747 -4.034 -1.037 1.00 0.52 H new ATOM 0 HG13 ILE A 96 6.442 -4.163 -0.609 1.00 0.52 H new ATOM 0 HG21 ILE A 96 4.089 -3.143 -3.291 1.00 0.76 H new ATOM 0 HG22 ILE A 96 5.161 -3.797 -4.552 1.00 0.76 H new ATOM 0 HG23 ILE A 96 4.533 -4.866 -3.276 1.00 0.76 H new ATOM 0 HD11 ILE A 96 5.394 -2.262 0.523 1.00 0.48 H new ATOM 0 HD12 ILE A 96 6.643 -1.700 -0.613 1.00 0.48 H new ATOM 0 HD13 ILE A 96 4.923 -1.569 -1.047 1.00 0.48 H new ATOM 1559 N LYS A 97 9.653 -4.495 -3.069 1.00 0.66 N ATOM 1560 CA LYS A 97 10.996 -3.967 -2.835 1.00 0.66 C ATOM 1561 C LYS A 97 11.454 -3.103 -4.007 1.00 0.82 C ATOM 1562 O LYS A 97 11.902 -1.971 -3.818 1.00 1.43 O ATOM 1563 CB LYS A 97 11.998 -5.107 -2.617 1.00 0.74 C ATOM 1564 CG LYS A 97 11.387 -6.368 -2.027 1.00 1.33 C ATOM 1565 CD LYS A 97 12.007 -7.618 -2.630 1.00 1.77 C ATOM 1566 CE LYS A 97 12.384 -8.628 -1.558 1.00 2.29 C ATOM 1567 NZ LYS A 97 11.863 -9.988 -1.866 1.00 2.85 N ATOM 0 H LYS A 97 9.628 -5.354 -3.619 1.00 0.66 H new ATOM 0 HA LYS A 97 10.956 -3.351 -1.937 1.00 0.66 H new ATOM 0 HB2 LYS A 97 12.464 -5.354 -3.571 1.00 0.74 H new ATOM 0 HB3 LYS A 97 12.791 -4.757 -1.956 1.00 0.74 H new ATOM 0 HG2 LYS A 97 11.531 -6.373 -0.947 1.00 1.33 H new ATOM 0 HG3 LYS A 97 10.312 -6.371 -2.205 1.00 1.33 H new ATOM 0 HD2 LYS A 97 11.304 -8.073 -3.328 1.00 1.77 H new ATOM 0 HD3 LYS A 97 12.894 -7.345 -3.202 1.00 1.77 H new ATOM 0 HE2 LYS A 97 13.469 -8.668 -1.463 1.00 2.29 H new ATOM 0 HE3 LYS A 97 11.992 -8.299 -0.596 1.00 2.29 H new ATOM 0 HZ1 LYS A 97 12.053 -10.623 -1.064 1.00 2.85 H new ATOM 0 HZ2 LYS A 97 10.838 -9.938 -2.032 1.00 2.85 H new ATOM 0 HZ3 LYS A 97 12.334 -10.355 -2.718 1.00 2.85 H new ATOM 1581 N ASP A 98 11.341 -3.646 -5.216 1.00 0.74 N ATOM 1582 CA ASP A 98 11.748 -2.934 -6.425 1.00 0.85 C ATOM 1583 C ASP A 98 10.879 -1.703 -6.671 1.00 0.73 C ATOM 1584 O ASP A 98 11.127 -0.935 -7.602 1.00 0.84 O ATOM 1585 CB ASP A 98 11.675 -3.868 -7.635 1.00 1.04 C ATOM 1586 CG ASP A 98 12.875 -3.725 -8.550 1.00 1.30 C ATOM 1587 OD1 ASP A 98 12.904 -2.763 -9.347 1.00 1.64 O ATOM 1588 OD2 ASP A 98 13.786 -4.576 -8.471 1.00 1.63 O ATOM 0 H ASP A 98 10.969 -4.581 -5.385 1.00 0.74 H new ATOM 0 HA ASP A 98 12.776 -2.600 -6.282 1.00 0.85 H new ATOM 0 HB2 ASP A 98 11.606 -4.900 -7.290 1.00 1.04 H new ATOM 0 HB3 ASP A 98 10.766 -3.658 -8.198 1.00 1.04 H new ATOM 1593 N TYR A 99 9.863 -1.517 -5.835 1.00 0.60 N ATOM 1594 CA TYR A 99 8.958 -0.379 -5.971 1.00 0.64 C ATOM 1595 C TYR A 99 9.198 0.650 -4.877 1.00 0.78 C ATOM 1596 O TYR A 99 8.871 1.826 -5.034 1.00 1.08 O ATOM 1597 CB TYR A 99 7.502 -0.842 -5.905 1.00 0.63 C ATOM 1598 CG TYR A 99 7.203 -2.063 -6.747 1.00 0.65 C ATOM 1599 CD1 TYR A 99 7.512 -3.339 -6.286 1.00 0.75 C ATOM 1600 CD2 TYR A 99 6.618 -1.943 -8.000 1.00 0.74 C ATOM 1601 CE1 TYR A 99 7.244 -4.458 -7.051 1.00 0.92 C ATOM 1602 CE2 TYR A 99 6.345 -3.058 -8.771 1.00 0.84 C ATOM 1603 CZ TYR A 99 6.646 -4.304 -8.298 1.00 0.93 C ATOM 1604 OH TYR A 99 6.392 -5.425 -9.057 1.00 1.13 O ATOM 0 H TYR A 99 9.645 -2.139 -5.056 1.00 0.60 H new ATOM 0 HA TYR A 99 9.156 0.080 -6.940 1.00 0.64 H new ATOM 0 HB2 TYR A 99 7.247 -1.058 -4.867 1.00 0.63 H new ATOM 0 HB3 TYR A 99 6.857 -0.025 -6.228 1.00 0.63 H new ATOM 0 HD1 TYR A 99 7.969 -3.457 -5.314 1.00 0.75 H new ATOM 0 HD2 TYR A 99 6.372 -0.962 -8.379 1.00 0.74 H new ATOM 0 HE1 TYR A 99 7.496 -5.442 -6.685 1.00 0.92 H new ATOM 0 HE2 TYR A 99 5.894 -2.944 -9.746 1.00 0.84 H new ATOM 0 HH TYR A 99 6.227 -6.189 -8.466 1.00 1.13 H new ATOM 1614 N VAL A 100 9.773 0.202 -3.768 1.00 0.68 N ATOM 1615 CA VAL A 100 10.031 1.083 -2.642 1.00 0.84 C ATOM 1616 C VAL A 100 11.470 1.589 -2.637 1.00 1.12 C ATOM 1617 O VAL A 100 12.196 1.449 -3.622 1.00 1.37 O ATOM 1618 CB VAL A 100 9.674 0.379 -1.306 1.00 0.72 C ATOM 1619 CG1 VAL A 100 10.888 -0.120 -0.536 1.00 0.99 C ATOM 1620 CG2 VAL A 100 8.815 1.289 -0.447 1.00 0.84 C ATOM 0 H VAL A 100 10.068 -0.764 -3.627 1.00 0.68 H new ATOM 0 HA VAL A 100 9.388 1.957 -2.749 1.00 0.84 H new ATOM 0 HB VAL A 100 9.105 -0.514 -1.566 1.00 0.72 H new ATOM 0 HG11 VAL A 100 10.562 -0.601 0.386 1.00 0.99 H new ATOM 0 HG12 VAL A 100 11.435 -0.839 -1.146 1.00 0.99 H new ATOM 0 HG13 VAL A 100 11.538 0.722 -0.296 1.00 0.99 H new ATOM 0 HG21 VAL A 100 8.571 0.784 0.487 1.00 0.84 H new ATOM 0 HG22 VAL A 100 9.361 2.207 -0.231 1.00 0.84 H new ATOM 0 HG23 VAL A 100 7.895 1.530 -0.980 1.00 0.84 H new ATOM 1630 N SER A 101 11.862 2.186 -1.521 1.00 1.24 N ATOM 1631 CA SER A 101 13.207 2.734 -1.357 1.00 1.56 C ATOM 1632 C SER A 101 14.283 1.715 -1.730 1.00 1.20 C ATOM 1633 O SER A 101 13.997 0.536 -1.939 1.00 1.50 O ATOM 1634 CB SER A 101 13.419 3.194 0.086 1.00 2.21 C ATOM 1635 OG SER A 101 12.295 3.912 0.563 1.00 2.53 O ATOM 0 H SER A 101 11.262 2.306 -0.705 1.00 1.24 H new ATOM 0 HA SER A 101 13.296 3.585 -2.032 1.00 1.56 H new ATOM 0 HB2 SER A 101 13.599 2.329 0.724 1.00 2.21 H new ATOM 0 HB3 SER A 101 14.307 3.823 0.144 1.00 2.21 H new ATOM 0 HG SER A 101 12.455 4.193 1.488 1.00 2.53 H new ATOM 1641 N GLU A 102 15.522 2.187 -1.804 1.00 1.32 N ATOM 1642 CA GLU A 102 16.661 1.340 -2.148 1.00 1.81 C ATOM 1643 C GLU A 102 17.249 0.676 -0.906 1.00 1.95 C ATOM 1644 O GLU A 102 18.190 -0.110 -0.999 1.00 2.25 O ATOM 1645 CB GLU A 102 17.738 2.163 -2.856 1.00 2.43 C ATOM 1646 CG GLU A 102 18.448 1.409 -3.967 1.00 3.30 C ATOM 1647 CD GLU A 102 17.947 1.794 -5.346 1.00 3.82 C ATOM 1648 OE1 GLU A 102 16.714 1.820 -5.544 1.00 4.26 O ATOM 1649 OE2 GLU A 102 18.788 2.069 -6.227 1.00 4.07 O ATOM 0 H GLU A 102 15.766 3.162 -1.629 1.00 1.32 H new ATOM 0 HA GLU A 102 16.306 0.558 -2.819 1.00 1.81 H new ATOM 0 HB2 GLU A 102 17.282 3.061 -3.272 1.00 2.43 H new ATOM 0 HB3 GLU A 102 18.475 2.490 -2.122 1.00 2.43 H new ATOM 0 HG2 GLU A 102 19.519 1.603 -3.906 1.00 3.30 H new ATOM 0 HG3 GLU A 102 18.310 0.338 -3.820 1.00 3.30 H new ATOM 1656 N ASP A 103 16.693 1.003 0.256 1.00 1.90 N ATOM 1657 CA ASP A 103 17.176 0.453 1.517 1.00 2.17 C ATOM 1658 C ASP A 103 17.087 -1.072 1.538 1.00 1.97 C ATOM 1659 O ASP A 103 18.063 -1.750 1.860 1.00 2.18 O ATOM 1660 CB ASP A 103 16.375 1.032 2.685 1.00 2.39 C ATOM 1661 CG ASP A 103 17.263 1.623 3.762 1.00 2.79 C ATOM 1662 OD1 ASP A 103 18.285 0.989 4.101 1.00 3.15 O ATOM 1663 OD2 ASP A 103 16.937 2.718 4.266 1.00 3.12 O ATOM 0 H ASP A 103 15.907 1.646 0.350 1.00 1.90 H new ATOM 0 HA ASP A 103 18.225 0.732 1.618 1.00 2.17 H new ATOM 0 HB2 ASP A 103 15.700 1.802 2.312 1.00 2.39 H new ATOM 0 HB3 ASP A 103 15.755 0.248 3.120 1.00 2.39 H new ATOM 1668 N LEU A 104 15.920 -1.611 1.194 1.00 1.66 N ATOM 1669 CA LEU A 104 15.733 -3.060 1.187 1.00 1.57 C ATOM 1670 C LEU A 104 16.188 -3.671 -0.137 1.00 1.70 C ATOM 1671 O LEU A 104 15.525 -4.549 -0.689 1.00 1.91 O ATOM 1672 CB LEU A 104 14.272 -3.446 1.476 1.00 1.43 C ATOM 1673 CG LEU A 104 13.181 -2.491 0.961 1.00 1.27 C ATOM 1674 CD1 LEU A 104 13.073 -1.262 1.852 1.00 1.68 C ATOM 1675 CD2 LEU A 104 13.431 -2.089 -0.487 1.00 1.73 C ATOM 0 H LEU A 104 15.098 -1.074 0.919 1.00 1.66 H new ATOM 0 HA LEU A 104 16.354 -3.464 1.986 1.00 1.57 H new ATOM 0 HB2 LEU A 104 14.091 -4.431 1.046 1.00 1.43 H new ATOM 0 HB3 LEU A 104 14.155 -3.543 2.555 1.00 1.43 H new ATOM 0 HG LEU A 104 12.231 -3.025 0.997 1.00 1.27 H new ATOM 0 HD11 LEU A 104 12.295 -0.602 1.468 1.00 1.68 H new ATOM 0 HD12 LEU A 104 12.820 -1.569 2.867 1.00 1.68 H new ATOM 0 HD13 LEU A 104 14.026 -0.734 1.860 1.00 1.68 H new ATOM 0 HD21 LEU A 104 12.642 -1.414 -0.819 1.00 1.73 H new ATOM 0 HD22 LEU A 104 14.395 -1.586 -0.564 1.00 1.73 H new ATOM 0 HD23 LEU A 104 13.436 -2.979 -1.116 1.00 1.73 H new ATOM 1687 N HIS A 105 17.326 -3.201 -0.638 1.00 1.83 N ATOM 1688 CA HIS A 105 17.881 -3.707 -1.888 1.00 2.15 C ATOM 1689 C HIS A 105 19.291 -4.241 -1.661 1.00 2.44 C ATOM 1690 O HIS A 105 20.273 -3.649 -2.109 1.00 2.79 O ATOM 1691 CB HIS A 105 17.898 -2.604 -2.951 1.00 2.42 C ATOM 1692 CG HIS A 105 16.711 -2.635 -3.863 1.00 2.36 C ATOM 1693 ND1 HIS A 105 16.782 -3.045 -5.178 1.00 2.91 N ATOM 1694 CD2 HIS A 105 15.418 -2.301 -3.644 1.00 2.29 C ATOM 1695 CE1 HIS A 105 15.583 -2.962 -5.728 1.00 3.15 C ATOM 1696 NE2 HIS A 105 14.737 -2.514 -4.817 1.00 2.81 N ATOM 0 H HIS A 105 17.883 -2.469 -0.196 1.00 1.83 H new ATOM 0 HA HIS A 105 17.250 -4.522 -2.243 1.00 2.15 H new ATOM 0 HB2 HIS A 105 17.941 -1.634 -2.456 1.00 2.42 H new ATOM 0 HB3 HIS A 105 18.806 -2.698 -3.546 1.00 2.42 H new ATOM 0 HD1 HIS A 105 17.628 -3.363 -5.652 1.00 2.91 H new ATOM 0 HD2 HIS A 105 14.999 -1.935 -2.718 1.00 2.29 H new ATOM 0 HE1 HIS A 105 15.337 -3.217 -6.748 1.00 3.15 H new ATOM 1705 N LYS A 106 19.380 -5.366 -0.958 1.00 2.38 N ATOM 1706 CA LYS A 106 20.668 -5.978 -0.653 1.00 2.72 C ATOM 1707 C LYS A 106 20.512 -7.470 -0.381 1.00 2.73 C ATOM 1708 O LYS A 106 21.372 -8.274 -0.743 1.00 3.11 O ATOM 1709 CB LYS A 106 21.287 -5.296 0.567 1.00 2.83 C ATOM 1710 CG LYS A 106 20.317 -5.133 1.729 1.00 2.56 C ATOM 1711 CD LYS A 106 20.655 -6.079 2.870 1.00 2.86 C ATOM 1712 CE LYS A 106 21.658 -5.459 3.829 1.00 3.00 C ATOM 1713 NZ LYS A 106 23.021 -6.032 3.652 1.00 3.43 N ATOM 0 H LYS A 106 18.575 -5.872 -0.589 1.00 2.38 H new ATOM 0 HA LYS A 106 21.321 -5.851 -1.516 1.00 2.72 H new ATOM 0 HB2 LYS A 106 22.147 -5.877 0.901 1.00 2.83 H new ATOM 0 HB3 LYS A 106 21.659 -4.314 0.275 1.00 2.83 H new ATOM 0 HG2 LYS A 106 20.345 -4.104 2.087 1.00 2.56 H new ATOM 0 HG3 LYS A 106 19.300 -5.323 1.386 1.00 2.56 H new ATOM 0 HD2 LYS A 106 19.745 -6.338 3.411 1.00 2.86 H new ATOM 0 HD3 LYS A 106 21.061 -7.007 2.467 1.00 2.86 H new ATOM 0 HE2 LYS A 106 21.694 -4.381 3.671 1.00 3.00 H new ATOM 0 HE3 LYS A 106 21.327 -5.620 4.855 1.00 3.00 H new ATOM 0 HZ1 LYS A 106 23.669 -5.608 4.347 1.00 3.43 H new ATOM 0 HZ2 LYS A 106 22.986 -7.062 3.795 1.00 3.43 H new ATOM 0 HZ3 LYS A 106 23.362 -5.827 2.691 1.00 3.43 H new ATOM 1727 N TYR A 107 19.407 -7.828 0.259 1.00 2.40 N ATOM 1728 CA TYR A 107 19.123 -9.217 0.596 1.00 2.46 C ATOM 1729 C TYR A 107 18.372 -9.895 -0.541 1.00 2.35 C ATOM 1730 O TYR A 107 18.053 -11.082 -0.470 1.00 2.42 O ATOM 1731 CB TYR A 107 18.285 -9.282 1.872 1.00 2.46 C ATOM 1732 CG TYR A 107 16.912 -8.672 1.705 1.00 2.20 C ATOM 1733 CD1 TYR A 107 15.838 -9.442 1.276 1.00 2.20 C ATOM 1734 CD2 TYR A 107 16.693 -7.326 1.962 1.00 2.03 C ATOM 1735 CE1 TYR A 107 14.586 -8.888 1.109 1.00 2.07 C ATOM 1736 CE2 TYR A 107 15.444 -6.764 1.800 1.00 1.88 C ATOM 1737 CZ TYR A 107 14.393 -7.547 1.373 1.00 1.92 C ATOM 1738 OH TYR A 107 13.146 -6.990 1.207 1.00 1.91 O ATOM 0 H TYR A 107 18.687 -7.170 0.557 1.00 2.40 H new ATOM 0 HA TYR A 107 20.068 -9.736 0.756 1.00 2.46 H new ATOM 0 HB2 TYR A 107 18.180 -10.323 2.179 1.00 2.46 H new ATOM 0 HB3 TYR A 107 18.812 -8.765 2.674 1.00 2.46 H new ATOM 0 HD1 TYR A 107 15.986 -10.492 1.070 1.00 2.20 H new ATOM 0 HD2 TYR A 107 17.514 -6.708 2.294 1.00 2.03 H new ATOM 0 HE1 TYR A 107 13.762 -9.500 0.774 1.00 2.07 H new ATOM 0 HE2 TYR A 107 15.290 -5.715 2.007 1.00 1.88 H new ATOM 0 HH TYR A 107 13.032 -6.248 1.837 1.00 1.91 H new ATOM 1748 N ILE A 108 18.091 -9.125 -1.587 1.00 2.27 N ATOM 1749 CA ILE A 108 17.362 -9.630 -2.740 1.00 2.27 C ATOM 1750 C ILE A 108 17.987 -10.928 -3.260 1.00 2.49 C ATOM 1751 O ILE A 108 19.201 -11.006 -3.453 1.00 2.67 O ATOM 1752 CB ILE A 108 17.311 -8.567 -3.863 1.00 2.29 C ATOM 1753 CG1 ILE A 108 15.954 -7.861 -3.860 1.00 2.08 C ATOM 1754 CG2 ILE A 108 17.587 -9.183 -5.228 1.00 2.59 C ATOM 1755 CD1 ILE A 108 15.714 -7.013 -2.628 1.00 1.86 C ATOM 0 H ILE A 108 18.360 -8.144 -1.658 1.00 2.27 H new ATOM 0 HA ILE A 108 16.342 -9.847 -2.423 1.00 2.27 H new ATOM 0 HB ILE A 108 18.094 -7.834 -3.667 1.00 2.29 H new ATOM 0 HG12 ILE A 108 15.880 -7.230 -4.745 1.00 2.08 H new ATOM 0 HG13 ILE A 108 15.165 -8.609 -3.935 1.00 2.08 H new ATOM 0 HG21 ILE A 108 17.543 -8.408 -5.993 1.00 2.59 H new ATOM 0 HG22 ILE A 108 18.578 -9.637 -5.228 1.00 2.59 H new ATOM 0 HG23 ILE A 108 16.838 -9.946 -5.441 1.00 2.59 H new ATOM 0 HD11 ILE A 108 14.733 -6.543 -2.695 1.00 1.86 H new ATOM 0 HD12 ILE A 108 15.755 -7.643 -1.739 1.00 1.86 H new ATOM 0 HD13 ILE A 108 16.482 -6.242 -2.562 1.00 1.86 H new ATOM 1767 N PRO A 109 17.161 -11.969 -3.486 1.00 2.54 N ATOM 1768 CA PRO A 109 17.643 -13.261 -3.979 1.00 2.77 C ATOM 1769 C PRO A 109 18.033 -13.212 -5.453 1.00 3.02 C ATOM 1770 O PRO A 109 17.196 -12.958 -6.319 1.00 3.11 O ATOM 1771 CB PRO A 109 16.447 -14.190 -3.770 1.00 2.80 C ATOM 1772 CG PRO A 109 15.256 -13.298 -3.830 1.00 2.70 C ATOM 1773 CD PRO A 109 15.696 -11.965 -3.283 1.00 2.48 C ATOM 0 HA PRO A 109 18.545 -13.584 -3.459 1.00 2.77 H new ATOM 0 HB2 PRO A 109 16.404 -14.959 -4.541 1.00 2.80 H new ATOM 0 HB3 PRO A 109 16.508 -14.704 -2.811 1.00 2.80 H new ATOM 0 HG2 PRO A 109 14.897 -13.198 -4.854 1.00 2.70 H new ATOM 0 HG3 PRO A 109 14.434 -13.707 -3.242 1.00 2.70 H new ATOM 0 HD2 PRO A 109 15.221 -11.139 -3.812 1.00 2.48 H new ATOM 0 HD3 PRO A 109 15.438 -11.860 -2.229 1.00 2.48 H new ATOM 1781 N ARG A 110 19.311 -13.457 -5.729 1.00 3.26 N ATOM 1782 CA ARG A 110 19.816 -13.441 -7.098 1.00 3.61 C ATOM 1783 C ARG A 110 19.513 -14.759 -7.804 1.00 3.87 C ATOM 1784 O ARG A 110 19.669 -14.816 -9.041 1.00 4.38 O ATOM 1785 CB ARG A 110 21.323 -13.181 -7.105 1.00 4.21 C ATOM 1786 CG ARG A 110 21.761 -12.095 -6.134 1.00 4.62 C ATOM 1787 CD ARG A 110 22.719 -11.113 -6.788 1.00 5.34 C ATOM 1788 NE ARG A 110 23.103 -10.034 -5.881 1.00 5.83 N ATOM 1789 CZ ARG A 110 23.056 -8.744 -6.204 1.00 6.55 C ATOM 1790 NH1 ARG A 110 22.640 -8.370 -7.406 1.00 6.84 N ATOM 1791 NH2 ARG A 110 23.426 -7.826 -5.322 1.00 7.27 N ATOM 1792 OXT ARG A 110 19.120 -15.723 -7.113 1.00 4.05 O ATOM 0 H ARG A 110 20.016 -13.669 -5.023 1.00 3.26 H new ATOM 0 HA ARG A 110 19.313 -12.637 -7.635 1.00 3.61 H new ATOM 0 HB2 ARG A 110 21.844 -14.107 -6.860 1.00 4.21 H new ATOM 0 HB3 ARG A 110 21.630 -12.900 -8.113 1.00 4.21 H new ATOM 0 HG2 ARG A 110 20.885 -11.560 -5.767 1.00 4.62 H new ATOM 0 HG3 ARG A 110 22.242 -12.552 -5.269 1.00 4.62 H new ATOM 0 HD2 ARG A 110 23.612 -11.644 -7.118 1.00 5.34 H new ATOM 0 HD3 ARG A 110 22.252 -10.690 -7.678 1.00 5.34 H new ATOM 0 HE ARG A 110 23.426 -10.284 -4.946 1.00 5.83 H new ATOM 0 HH11 ARG A 110 22.354 -9.072 -8.088 1.00 6.84 H new ATOM 0 HH12 ARG A 110 22.606 -7.380 -7.649 1.00 6.84 H new ATOM 0 HH21 ARG A 110 23.747 -8.109 -4.396 1.00 7.27 H new ATOM 0 HH22 ARG A 110 23.390 -6.837 -5.570 1.00 7.27 H new TER 1806 ARG A 110