USER MOD reduce.3.24.130724 H: found=0, std=0, add=1041, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 1042 hydrogens (27 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 122 HIS : no HD1:sc= -0.0875 X(o=-0.16,f=-0.16) USER MOD Set 1.2: A 123 HIS : no HD1:sc= -0.0755 X(o=-0.16,f=-0.017) USER MOD Set 2.1: A 7 GLN : amide:sc= -5.42! C(o=-19!,f=-16!) USER MOD Set 2.2: A 96 ASN : amide:sc= -8.69! C(o=-19!,f=-16!) USER MOD Set 2.3: A 98 GLN : amide:sc= -4.53! C(o=-19!,f=-19!) USER MOD Set 3.1: A 64 GLN : amide:sc= -0.0177 K(o=-3.7,f=-4.5!) USER MOD Set 3.2: A 68 ASN : amide:sc= -3.7! K(o=-3.7!,f=-3.1) USER MOD Single : A 3 GLN : amide:sc= -0.208 X(o=-0.21,f=-0.38) USER MOD Single : A 6 SER OG : rot -76:sc= 0.121 USER MOD Single : A 8 HIS : no HE2:sc= -6.31! C(o=-6.3!,f=-6.3!) USER MOD Single : A 11 TYR OH : rot 165:sc= -0.425 USER MOD Single : A 14 GLN : amide:sc= -0.205 X(o=-0.2,f=-0.54) USER MOD Single : A 16 LYS NZ :NH3+ 151:sc= -6.7! (180deg=-9.68!) USER MOD Single : A 17 GLN : amide:sc= -0.0208 K(o=-0.021,f=-1.3!) USER MOD Single : A 20 LYS NZ :NH3+ -164:sc= -0.0256 (180deg=-0.323) USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 THR OG1 : rot 180:sc= -0.221 USER MOD Single : A 42 CYS SG : rot 17:sc= -1.2! USER MOD Single : A 47 GLN : amide:sc= -0.126 X(o=-0.13,f=-0.19) USER MOD Single : A 50 THR OG1 : rot -120:sc= -2.6! USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 CYS SG : rot 77:sc= 0.173 USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 THR OG1 : rot -63:sc= 0.416 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 82 TYR OH : rot 128:sc= 0.0646 USER MOD Single : A 84 ASN : amide:sc= -0.151 K(o=-0.15,f=-2.6!) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 105 GLN : amide:sc= 0.00449 K(o=0.0045,f=-1.4!) USER MOD Single : A 106 THR OG1 : rot 180:sc= 0 USER MOD Single : A 111 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 112 SER OG : rot 180:sc= 0 USER MOD Single : A 113 ASN : amide:sc= -0.0317 K(o=-0.032,f=-1.5!) USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD Single : A 115 GLN : amide:sc= -0.236 X(o=-0.24,f=-0.044) USER MOD Single : A 116 THR OG1 : rot 180:sc= 0.00213 USER MOD Single : A 120 HIS : no HD1:sc= 0 X(o=0,f=-0.034) USER MOD Single : A 121 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 124 HIS : no HD1:sc= 0 X(o=0,f=-0.02) USER MOD Single : A 125 HIS : no HD1:sc= -0.128 X(o=-0.13,f=-0.15) USER MOD ----------------------------------------------------------------- HETATM 1 C1 MYR A 1 117.478 11.236 0.763 1.00 0.00 C HETATM 2 O1 MYR A 1 116.767 12.224 0.934 1.00 0.00 O HETATM 3 C2 MYR A 1 116.954 9.996 1.150 1.00 0.00 C HETATM 4 C3 MYR A 1 115.601 9.722 0.481 1.00 0.00 C HETATM 5 C4 MYR A 1 114.791 8.698 1.268 1.00 0.00 C HETATM 6 C5 MYR A 1 113.307 9.038 1.278 1.00 0.00 C HETATM 7 C6 MYR A 1 112.574 8.261 2.374 1.00 0.00 C HETATM 8 C7 MYR A 1 111.100 8.649 2.555 1.00 0.00 C HETATM 9 C8 MYR A 1 110.367 7.921 3.690 1.00 0.00 C HETATM 10 C9 MYR A 1 108.930 7.485 3.353 1.00 0.00 C HETATM 11 C10 MYR A 1 108.448 6.314 4.219 1.00 0.00 C HETATM 12 C11 MYR A 1 108.503 4.963 3.483 1.00 0.00 C HETATM 13 C12 MYR A 1 107.283 4.102 3.811 1.00 0.00 C HETATM 14 C13 MYR A 1 107.180 2.901 2.868 1.00 0.00 C HETATM 15 C14 MYR A 1 105.940 2.067 3.161 1.00 0.00 C HETATM 0 H143 MYR A 1 105.983 1.698 4.186 1.00 0.00 H new HETATM 0 H142 MYR A 1 105.049 2.682 3.034 1.00 0.00 H new HETATM 0 H141 MYR A 1 105.898 1.223 2.473 1.00 0.00 H new HETATM 0 H132 MYR A 1 107.150 3.249 1.836 1.00 0.00 H new HETATM 0 H131 MYR A 1 108.070 2.280 2.969 1.00 0.00 H new HETATM 0 H122 MYR A 1 107.348 3.753 4.842 1.00 0.00 H new HETATM 0 H121 MYR A 1 106.378 4.705 3.735 1.00 0.00 H new HETATM 0 H112 MYR A 1 108.552 5.134 2.408 1.00 0.00 H new HETATM 0 H111 MYR A 1 109.412 4.431 3.763 1.00 0.00 H new HETATM 0 H102 MYR A 1 109.061 6.257 5.118 1.00 0.00 H new HETATM 0 H101 MYR A 1 107.425 6.505 4.542 1.00 0.00 H new HETATM 0 H92 MYR A 1 108.257 8.332 3.487 1.00 0.00 H new HETATM 0 H91 MYR A 1 108.878 7.200 2.302 1.00 0.00 H new HETATM 0 H82 MYR A 1 110.943 7.039 3.969 1.00 0.00 H new HETATM 0 H81 MYR A 1 110.339 8.573 4.563 1.00 0.00 H new HETATM 0 H72 MYR A 1 111.043 9.722 2.737 1.00 0.00 H new HETATM 0 H71 MYR A 1 110.573 8.456 1.621 1.00 0.00 H new HETATM 0 H62 MYR A 1 112.631 7.197 2.146 1.00 0.00 H new HETATM 0 H61 MYR A 1 113.095 8.413 3.319 1.00 0.00 H new HETATM 0 H52 MYR A 1 113.177 10.108 1.437 1.00 0.00 H new HETATM 0 H51 MYR A 1 112.870 8.804 0.307 1.00 0.00 H new HETATM 0 H42 MYR A 1 114.934 7.709 0.833 1.00 0.00 H new HETATM 0 H41 MYR A 1 115.160 8.652 2.292 1.00 0.00 H new HETATM 0 H32 MYR A 1 115.037 10.652 0.402 1.00 0.00 H new HETATM 0 H31 MYR A 1 115.762 9.359 -0.534 1.00 0.00 H new HETATM 0 H22 MYR A 1 117.657 9.205 0.888 1.00 0.00 H new HETATM 0 H21 MYR A 1 116.837 9.972 2.233 1.00 0.00 H new ATOM 43 N GLY A 2 118.742 11.174 1.169 1.00 0.00 N ATOM 44 CA GLY A 2 119.366 12.294 1.865 1.00 0.00 C ATOM 45 C GLY A 2 118.943 12.327 3.330 1.00 0.00 C ATOM 46 O GLY A 2 118.692 11.287 3.937 1.00 0.00 O ATOM 0 HA2 GLY A 2 120.451 12.211 1.797 1.00 0.00 H new ATOM 0 HA3 GLY A 2 119.087 13.230 1.380 1.00 0.00 H new ATOM 50 N GLN A 3 118.867 13.529 3.891 1.00 0.00 N ATOM 51 CA GLN A 3 118.470 13.686 5.286 1.00 0.00 C ATOM 52 C GLN A 3 117.103 13.053 5.527 1.00 0.00 C ATOM 53 O GLN A 3 116.768 12.689 6.655 1.00 0.00 O ATOM 54 CB GLN A 3 118.418 15.172 5.649 1.00 0.00 C ATOM 55 CG GLN A 3 119.805 15.790 5.473 1.00 0.00 C ATOM 56 CD GLN A 3 120.791 15.142 6.439 1.00 0.00 C ATOM 57 OE1 GLN A 3 120.515 15.039 7.633 1.00 0.00 O ATOM 58 NE2 GLN A 3 121.933 14.698 5.989 1.00 0.00 N ATOM 0 H GLN A 3 119.073 14.402 3.406 1.00 0.00 H new ATOM 0 HA GLN A 3 119.206 13.184 5.914 1.00 0.00 H new ATOM 0 HB2 GLN A 3 117.696 15.687 5.015 1.00 0.00 H new ATOM 0 HB3 GLN A 3 118.082 15.294 6.679 1.00 0.00 H new ATOM 0 HG2 GLN A 3 120.146 15.653 4.447 1.00 0.00 H new ATOM 0 HG3 GLN A 3 119.759 16.864 5.653 1.00 0.00 H new ATOM 0 HE21 GLN A 3 122.159 14.785 4.998 1.00 0.00 H new ATOM 0 HE22 GLN A 3 122.599 14.264 6.628 1.00 0.00 H new ATOM 67 N GLU A 4 116.320 12.923 4.461 1.00 0.00 N ATOM 68 CA GLU A 4 114.993 12.326 4.570 1.00 0.00 C ATOM 69 C GLU A 4 115.066 10.986 5.293 1.00 0.00 C ATOM 70 O GLU A 4 114.071 10.509 5.840 1.00 0.00 O ATOM 71 CB GLU A 4 114.397 12.125 3.175 1.00 0.00 C ATOM 72 CG GLU A 4 114.077 13.485 2.555 1.00 0.00 C ATOM 73 CD GLU A 4 113.539 13.299 1.140 1.00 0.00 C ATOM 74 OE1 GLU A 4 113.299 14.299 0.482 1.00 0.00 O ATOM 75 OE2 GLU A 4 113.375 12.160 0.734 1.00 0.00 O ATOM 0 H GLU A 4 116.578 13.220 3.520 1.00 0.00 H new ATOM 0 HA GLU A 4 114.357 13.000 5.144 1.00 0.00 H new ATOM 0 HB2 GLU A 4 115.099 11.582 2.543 1.00 0.00 H new ATOM 0 HB3 GLU A 4 113.492 11.521 3.238 1.00 0.00 H new ATOM 0 HG2 GLU A 4 113.342 14.009 3.166 1.00 0.00 H new ATOM 0 HG3 GLU A 4 114.974 14.104 2.534 1.00 0.00 H new ATOM 82 N LEU A 5 116.250 10.382 5.291 1.00 0.00 N ATOM 83 CA LEU A 5 116.440 9.094 5.950 1.00 0.00 C ATOM 84 C LEU A 5 115.702 9.060 7.284 1.00 0.00 C ATOM 85 O LEU A 5 115.077 8.059 7.633 1.00 0.00 O ATOM 86 CB LEU A 5 117.931 8.843 6.183 1.00 0.00 C ATOM 87 CG LEU A 5 118.136 7.409 6.676 1.00 0.00 C ATOM 88 CD1 LEU A 5 117.787 6.428 5.556 1.00 0.00 C ATOM 89 CD2 LEU A 5 119.598 7.216 7.084 1.00 0.00 C ATOM 0 H LEU A 5 117.086 10.759 4.845 1.00 0.00 H new ATOM 0 HA LEU A 5 116.036 8.314 5.305 1.00 0.00 H new ATOM 0 HB2 LEU A 5 118.487 9.004 5.259 1.00 0.00 H new ATOM 0 HB3 LEU A 5 118.320 9.550 6.916 1.00 0.00 H new ATOM 0 HG LEU A 5 117.490 7.224 7.534 1.00 0.00 H new ATOM 0 HD11 LEU A 5 117.933 5.407 5.908 1.00 0.00 H new ATOM 0 HD12 LEU A 5 116.746 6.565 5.263 1.00 0.00 H new ATOM 0 HD13 LEU A 5 118.433 6.612 4.697 1.00 0.00 H new ATOM 0 HD21 LEU A 5 119.746 6.195 7.436 1.00 0.00 H new ATOM 0 HD22 LEU A 5 120.243 7.401 6.225 1.00 0.00 H new ATOM 0 HD23 LEU A 5 119.848 7.914 7.883 1.00 0.00 H new ATOM 101 N SER A 6 115.780 10.160 8.026 1.00 0.00 N ATOM 102 CA SER A 6 115.104 10.249 9.315 1.00 0.00 C ATOM 103 C SER A 6 113.625 9.906 9.170 1.00 0.00 C ATOM 104 O SER A 6 113.021 9.326 10.073 1.00 0.00 O ATOM 105 CB SER A 6 115.249 11.662 9.883 1.00 0.00 C ATOM 106 OG SER A 6 114.632 12.589 8.999 1.00 0.00 O ATOM 0 H SER A 6 116.300 10.996 7.760 1.00 0.00 H new ATOM 0 HA SER A 6 115.565 9.534 9.996 1.00 0.00 H new ATOM 0 HB2 SER A 6 114.787 11.719 10.869 1.00 0.00 H new ATOM 0 HB3 SER A 6 116.303 11.909 10.010 1.00 0.00 H new ATOM 0 HG SER A 6 115.208 12.730 8.219 1.00 0.00 H new ATOM 112 N GLN A 7 113.048 10.268 8.029 1.00 0.00 N ATOM 113 CA GLN A 7 111.641 9.983 7.773 1.00 0.00 C ATOM 114 C GLN A 7 111.354 8.495 7.946 1.00 0.00 C ATOM 115 O GLN A 7 110.364 8.113 8.569 1.00 0.00 O ATOM 116 CB GLN A 7 111.271 10.413 6.352 1.00 0.00 C ATOM 117 CG GLN A 7 109.773 10.199 6.126 1.00 0.00 C ATOM 118 CD GLN A 7 109.360 10.787 4.782 1.00 0.00 C ATOM 119 OE1 GLN A 7 109.984 11.731 4.297 1.00 0.00 O ATOM 120 NE2 GLN A 7 108.337 10.282 4.146 1.00 0.00 N ATOM 0 H GLN A 7 113.528 10.755 7.272 1.00 0.00 H new ATOM 0 HA GLN A 7 111.041 10.543 8.491 1.00 0.00 H new ATOM 0 HB2 GLN A 7 111.526 11.462 6.200 1.00 0.00 H new ATOM 0 HB3 GLN A 7 111.845 9.837 5.626 1.00 0.00 H new ATOM 0 HG2 GLN A 7 109.541 9.134 6.153 1.00 0.00 H new ATOM 0 HG3 GLN A 7 109.205 10.670 6.928 1.00 0.00 H new ATOM 0 HE21 GLN A 7 107.821 9.500 4.549 1.00 0.00 H new ATOM 0 HE22 GLN A 7 108.054 10.670 3.246 1.00 0.00 H new ATOM 129 N HIS A 8 112.227 7.661 7.391 1.00 0.00 N ATOM 130 CA HIS A 8 112.070 6.216 7.508 1.00 0.00 C ATOM 131 C HIS A 8 112.074 5.794 8.974 1.00 0.00 C ATOM 132 O HIS A 8 111.195 5.056 9.420 1.00 0.00 O ATOM 133 CB HIS A 8 113.203 5.505 6.766 1.00 0.00 C ATOM 134 CG HIS A 8 112.767 5.200 5.360 1.00 0.00 C ATOM 135 ND1 HIS A 8 113.446 5.686 4.253 1.00 0.00 N ATOM 136 CD2 HIS A 8 111.722 4.458 4.863 1.00 0.00 C ATOM 137 CE1 HIS A 8 112.809 5.236 3.157 1.00 0.00 C ATOM 138 NE2 HIS A 8 111.751 4.483 3.472 1.00 0.00 N ATOM 0 H HIS A 8 113.045 7.958 6.859 1.00 0.00 H new ATOM 0 HA HIS A 8 111.115 5.936 7.064 1.00 0.00 H new ATOM 0 HB2 HIS A 8 114.094 6.133 6.754 1.00 0.00 H new ATOM 0 HB3 HIS A 8 113.469 4.583 7.284 1.00 0.00 H new ATOM 0 HD1 HIS A 8 114.277 6.277 4.267 1.00 0.00 H new ATOM 0 HD2 HIS A 8 110.990 3.935 5.461 1.00 0.00 H new ATOM 0 HE1 HIS A 8 113.116 5.457 2.145 1.00 0.00 H new ATOM 147 N GLU A 9 113.069 6.266 9.717 1.00 0.00 N ATOM 148 CA GLU A 9 113.164 5.951 11.138 1.00 0.00 C ATOM 149 C GLU A 9 111.799 6.077 11.807 1.00 0.00 C ATOM 150 O GLU A 9 111.503 5.375 12.774 1.00 0.00 O ATOM 151 CB GLU A 9 114.156 6.897 11.817 1.00 0.00 C ATOM 152 CG GLU A 9 114.337 6.484 13.279 1.00 0.00 C ATOM 153 CD GLU A 9 115.346 7.403 13.960 1.00 0.00 C ATOM 154 OE1 GLU A 9 115.712 8.398 13.358 1.00 0.00 O ATOM 155 OE2 GLU A 9 115.739 7.097 15.074 1.00 0.00 O ATOM 0 H GLU A 9 113.816 6.864 9.363 1.00 0.00 H new ATOM 0 HA GLU A 9 113.513 4.924 11.241 1.00 0.00 H new ATOM 0 HB2 GLU A 9 115.115 6.869 11.299 1.00 0.00 H new ATOM 0 HB3 GLU A 9 113.793 7.923 11.760 1.00 0.00 H new ATOM 0 HG2 GLU A 9 113.381 6.531 13.800 1.00 0.00 H new ATOM 0 HG3 GLU A 9 114.679 5.451 13.334 1.00 0.00 H new ATOM 162 N ARG A 10 110.970 6.977 11.286 1.00 0.00 N ATOM 163 CA ARG A 10 109.629 7.167 11.824 1.00 0.00 C ATOM 164 C ARG A 10 108.672 6.120 11.264 1.00 0.00 C ATOM 165 O ARG A 10 107.841 5.573 11.988 1.00 0.00 O ATOM 166 CB ARG A 10 109.119 8.567 11.474 1.00 0.00 C ATOM 167 CG ARG A 10 110.135 9.612 11.940 1.00 0.00 C ATOM 168 CD ARG A 10 109.655 11.007 11.536 1.00 0.00 C ATOM 169 NE ARG A 10 108.428 11.344 12.248 1.00 0.00 N ATOM 170 CZ ARG A 10 107.772 12.472 11.994 1.00 0.00 C ATOM 171 NH1 ARG A 10 106.676 12.751 12.644 1.00 0.00 N ATOM 172 NH2 ARG A 10 108.225 13.299 11.092 1.00 0.00 N ATOM 0 H ARG A 10 111.202 7.582 10.498 1.00 0.00 H new ATOM 0 HA ARG A 10 109.675 7.057 12.908 1.00 0.00 H new ATOM 0 HB2 ARG A 10 108.963 8.650 10.398 1.00 0.00 H new ATOM 0 HB3 ARG A 10 108.155 8.744 11.951 1.00 0.00 H new ATOM 0 HG2 ARG A 10 110.258 9.558 13.022 1.00 0.00 H new ATOM 0 HG3 ARG A 10 111.110 9.409 11.497 1.00 0.00 H new ATOM 0 HD2 ARG A 10 110.427 11.744 11.759 1.00 0.00 H new ATOM 0 HD3 ARG A 10 109.481 11.042 10.461 1.00 0.00 H new ATOM 0 HE ARG A 10 108.066 10.703 12.954 1.00 0.00 H new ATOM 0 HH11 ARG A 10 106.322 12.103 13.348 1.00 0.00 H new ATOM 0 HH12 ARG A 10 106.173 13.617 12.448 1.00 0.00 H new ATOM 0 HH21 ARG A 10 109.081 13.080 10.583 1.00 0.00 H new ATOM 0 HH22 ARG A 10 107.723 14.165 10.896 1.00 0.00 H new ATOM 186 N TYR A 11 108.796 5.847 9.968 1.00 0.00 N ATOM 187 CA TYR A 11 107.957 4.842 9.326 1.00 0.00 C ATOM 188 C TYR A 11 108.059 3.509 10.062 1.00 0.00 C ATOM 189 O TYR A 11 107.047 2.887 10.383 1.00 0.00 O ATOM 190 CB TYR A 11 108.384 4.657 7.870 1.00 0.00 C ATOM 191 CG TYR A 11 107.672 3.461 7.284 1.00 0.00 C ATOM 192 CD1 TYR A 11 108.361 2.257 7.098 1.00 0.00 C ATOM 193 CD2 TYR A 11 106.322 3.558 6.924 1.00 0.00 C ATOM 194 CE1 TYR A 11 107.701 1.149 6.555 1.00 0.00 C ATOM 195 CE2 TYR A 11 105.662 2.450 6.380 1.00 0.00 C ATOM 196 CZ TYR A 11 106.351 1.245 6.196 1.00 0.00 C ATOM 197 OH TYR A 11 105.700 0.153 5.660 1.00 0.00 O ATOM 0 H TYR A 11 109.464 6.304 9.347 1.00 0.00 H new ATOM 0 HA TYR A 11 106.923 5.185 9.360 1.00 0.00 H new ATOM 0 HB2 TYR A 11 108.148 5.552 7.294 1.00 0.00 H new ATOM 0 HB3 TYR A 11 109.463 4.516 7.812 1.00 0.00 H new ATOM 0 HD1 TYR A 11 109.403 2.183 7.374 1.00 0.00 H new ATOM 0 HD2 TYR A 11 105.790 4.487 7.066 1.00 0.00 H new ATOM 0 HE1 TYR A 11 108.233 0.220 6.413 1.00 0.00 H new ATOM 0 HE2 TYR A 11 104.621 2.525 6.102 1.00 0.00 H new ATOM 0 HH TYR A 11 104.732 0.303 5.689 1.00 0.00 H new ATOM 207 N VAL A 12 109.288 3.078 10.326 1.00 0.00 N ATOM 208 CA VAL A 12 109.511 1.810 11.012 1.00 0.00 C ATOM 209 C VAL A 12 108.885 1.836 12.402 1.00 0.00 C ATOM 210 O VAL A 12 108.098 0.957 12.755 1.00 0.00 O ATOM 211 CB VAL A 12 111.011 1.538 11.132 1.00 0.00 C ATOM 212 CG1 VAL A 12 111.246 0.399 12.124 1.00 0.00 C ATOM 213 CG2 VAL A 12 111.567 1.141 9.761 1.00 0.00 C ATOM 0 H VAL A 12 110.139 3.583 10.078 1.00 0.00 H new ATOM 0 HA VAL A 12 109.043 1.016 10.429 1.00 0.00 H new ATOM 0 HB VAL A 12 111.516 2.437 11.485 1.00 0.00 H new ATOM 0 HG11 VAL A 12 112.315 0.205 12.209 1.00 0.00 H new ATOM 0 HG12 VAL A 12 110.849 0.679 13.100 1.00 0.00 H new ATOM 0 HG13 VAL A 12 110.741 -0.501 11.771 1.00 0.00 H new ATOM 0 HG21 VAL A 12 112.636 0.947 9.844 1.00 0.00 H new ATOM 0 HG22 VAL A 12 111.061 0.242 9.410 1.00 0.00 H new ATOM 0 HG23 VAL A 12 111.400 1.952 9.052 1.00 0.00 H new ATOM 223 N GLU A 13 109.239 2.847 13.187 1.00 0.00 N ATOM 224 CA GLU A 13 108.711 2.973 14.541 1.00 0.00 C ATOM 225 C GLU A 13 107.204 3.201 14.509 1.00 0.00 C ATOM 226 O GLU A 13 106.465 2.647 15.323 1.00 0.00 O ATOM 227 CB GLU A 13 109.391 4.139 15.261 1.00 0.00 C ATOM 228 CG GLU A 13 108.877 4.221 16.700 1.00 0.00 C ATOM 229 CD GLU A 13 109.624 5.311 17.460 1.00 0.00 C ATOM 230 OE1 GLU A 13 110.267 6.122 16.812 1.00 0.00 O ATOM 231 OE2 GLU A 13 109.543 5.319 18.676 1.00 0.00 O ATOM 0 H GLU A 13 109.885 3.587 12.912 1.00 0.00 H new ATOM 0 HA GLU A 13 108.915 2.047 15.078 1.00 0.00 H new ATOM 0 HB2 GLU A 13 110.472 4.002 15.257 1.00 0.00 H new ATOM 0 HB3 GLU A 13 109.187 5.073 14.737 1.00 0.00 H new ATOM 0 HG2 GLU A 13 107.808 4.433 16.701 1.00 0.00 H new ATOM 0 HG3 GLU A 13 109.012 3.261 17.198 1.00 0.00 H new ATOM 238 N GLN A 14 106.754 4.021 13.564 1.00 0.00 N ATOM 239 CA GLN A 14 105.334 4.330 13.448 1.00 0.00 C ATOM 240 C GLN A 14 104.558 3.112 12.959 1.00 0.00 C ATOM 241 O GLN A 14 103.849 2.465 13.731 1.00 0.00 O ATOM 242 CB GLN A 14 105.131 5.491 12.472 1.00 0.00 C ATOM 243 CG GLN A 14 103.657 5.904 12.468 1.00 0.00 C ATOM 244 CD GLN A 14 103.253 6.409 13.849 1.00 0.00 C ATOM 245 OE1 GLN A 14 103.988 7.178 14.469 1.00 0.00 O ATOM 246 NE2 GLN A 14 102.123 6.019 14.371 1.00 0.00 N ATOM 0 H GLN A 14 107.347 4.480 12.873 1.00 0.00 H new ATOM 0 HA GLN A 14 104.962 4.612 14.433 1.00 0.00 H new ATOM 0 HB2 GLN A 14 105.756 6.336 12.761 1.00 0.00 H new ATOM 0 HB3 GLN A 14 105.439 5.195 11.469 1.00 0.00 H new ATOM 0 HG2 GLN A 14 103.491 6.683 11.724 1.00 0.00 H new ATOM 0 HG3 GLN A 14 103.034 5.056 12.185 1.00 0.00 H new ATOM 0 HE21 GLN A 14 101.516 5.382 13.855 1.00 0.00 H new ATOM 0 HE22 GLN A 14 101.846 6.351 15.295 1.00 0.00 H new ATOM 255 N LEU A 15 104.697 2.804 11.674 1.00 0.00 N ATOM 256 CA LEU A 15 104.005 1.657 11.095 1.00 0.00 C ATOM 257 C LEU A 15 103.898 0.526 12.113 1.00 0.00 C ATOM 258 O LEU A 15 102.831 -0.061 12.290 1.00 0.00 O ATOM 259 CB LEU A 15 104.760 1.164 9.859 1.00 0.00 C ATOM 260 CG LEU A 15 103.769 0.559 8.863 1.00 0.00 C ATOM 261 CD1 LEU A 15 102.972 -0.553 9.547 1.00 0.00 C ATOM 262 CD2 LEU A 15 102.809 1.646 8.376 1.00 0.00 C ATOM 0 H LEU A 15 105.277 3.327 11.018 1.00 0.00 H new ATOM 0 HA LEU A 15 103.000 1.968 10.808 1.00 0.00 H new ATOM 0 HB2 LEU A 15 105.299 1.990 9.395 1.00 0.00 H new ATOM 0 HB3 LEU A 15 105.503 0.420 10.146 1.00 0.00 H new ATOM 0 HG LEU A 15 104.314 0.146 8.014 1.00 0.00 H new ATOM 0 HD11 LEU A 15 102.266 -0.984 8.837 1.00 0.00 H new ATOM 0 HD12 LEU A 15 103.654 -1.328 9.896 1.00 0.00 H new ATOM 0 HD13 LEU A 15 102.427 -0.141 10.396 1.00 0.00 H new ATOM 0 HD21 LEU A 15 102.102 1.216 7.666 1.00 0.00 H new ATOM 0 HD22 LEU A 15 102.265 2.058 9.226 1.00 0.00 H new ATOM 0 HD23 LEU A 15 103.375 2.440 7.889 1.00 0.00 H new ATOM 274 N LYS A 16 105.008 0.228 12.779 1.00 0.00 N ATOM 275 CA LYS A 16 105.024 -0.828 13.784 1.00 0.00 C ATOM 276 C LYS A 16 104.086 -0.484 14.937 1.00 0.00 C ATOM 277 O LYS A 16 103.369 -1.346 15.445 1.00 0.00 O ATOM 278 CB LYS A 16 106.443 -1.021 14.318 1.00 0.00 C ATOM 279 CG LYS A 16 107.281 -1.777 13.285 1.00 0.00 C ATOM 280 CD LYS A 16 108.702 -1.966 13.817 1.00 0.00 C ATOM 281 CE LYS A 16 108.704 -3.054 14.893 1.00 0.00 C ATOM 282 NZ LYS A 16 109.628 -4.150 14.490 1.00 0.00 N ATOM 0 H LYS A 16 105.902 0.699 12.643 1.00 0.00 H new ATOM 0 HA LYS A 16 104.684 -1.753 13.317 1.00 0.00 H new ATOM 0 HB2 LYS A 16 106.897 -0.053 14.532 1.00 0.00 H new ATOM 0 HB3 LYS A 16 106.417 -1.575 15.256 1.00 0.00 H new ATOM 0 HG2 LYS A 16 106.829 -2.746 13.074 1.00 0.00 H new ATOM 0 HG3 LYS A 16 107.304 -1.225 12.346 1.00 0.00 H new ATOM 0 HD2 LYS A 16 109.372 -2.243 13.003 1.00 0.00 H new ATOM 0 HD3 LYS A 16 109.074 -1.029 14.232 1.00 0.00 H new ATOM 0 HE2 LYS A 16 109.016 -2.634 15.849 1.00 0.00 H new ATOM 0 HE3 LYS A 16 107.696 -3.446 15.031 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 110.014 -4.609 15.340 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 109.109 -4.851 13.924 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 110.407 -3.757 13.924 1.00 0.00 H new ATOM 296 N GLN A 17 104.098 0.781 15.345 1.00 0.00 N ATOM 297 CA GLN A 17 103.214 1.238 16.411 1.00 0.00 C ATOM 298 C GLN A 17 101.759 1.206 15.951 1.00 0.00 C ATOM 299 O GLN A 17 100.922 0.539 16.558 1.00 0.00 O ATOM 300 CB GLN A 17 103.588 2.662 16.825 1.00 0.00 C ATOM 301 CG GLN A 17 104.768 2.618 17.798 1.00 0.00 C ATOM 302 CD GLN A 17 105.250 4.033 18.098 1.00 0.00 C ATOM 303 OE1 GLN A 17 104.678 5.003 17.601 1.00 0.00 O ATOM 304 NE2 GLN A 17 106.276 4.211 18.885 1.00 0.00 N ATOM 0 H GLN A 17 104.705 1.503 14.957 1.00 0.00 H new ATOM 0 HA GLN A 17 103.329 0.570 17.264 1.00 0.00 H new ATOM 0 HB2 GLN A 17 103.850 3.251 15.946 1.00 0.00 H new ATOM 0 HB3 GLN A 17 102.734 3.152 17.294 1.00 0.00 H new ATOM 0 HG2 GLN A 17 104.470 2.123 18.722 1.00 0.00 H new ATOM 0 HG3 GLN A 17 105.581 2.031 17.370 1.00 0.00 H new ATOM 0 HE21 GLN A 17 106.749 3.406 19.296 1.00 0.00 H new ATOM 0 HE22 GLN A 17 106.605 5.155 19.089 1.00 0.00 H new ATOM 313 N ALA A 18 101.468 1.930 14.876 1.00 0.00 N ATOM 314 CA ALA A 18 100.120 1.943 14.319 1.00 0.00 C ATOM 315 C ALA A 18 99.608 0.519 14.120 1.00 0.00 C ATOM 316 O ALA A 18 98.410 0.300 13.943 1.00 0.00 O ATOM 317 CB ALA A 18 100.116 2.682 12.980 1.00 0.00 C ATOM 0 H ALA A 18 102.141 2.511 14.376 1.00 0.00 H new ATOM 0 HA ALA A 18 99.462 2.458 15.019 1.00 0.00 H new ATOM 0 HB1 ALA A 18 99.106 2.687 12.570 1.00 0.00 H new ATOM 0 HB2 ALA A 18 100.452 3.708 13.130 1.00 0.00 H new ATOM 0 HB3 ALA A 18 100.787 2.178 12.284 1.00 0.00 H new ATOM 323 N LEU A 19 100.524 -0.442 14.149 1.00 0.00 N ATOM 324 CA LEU A 19 100.152 -1.844 13.989 1.00 0.00 C ATOM 325 C LEU A 19 99.747 -2.448 15.330 1.00 0.00 C ATOM 326 O LEU A 19 98.703 -3.091 15.442 1.00 0.00 O ATOM 327 CB LEU A 19 101.325 -2.632 13.404 1.00 0.00 C ATOM 328 CG LEU A 19 101.119 -2.815 11.900 1.00 0.00 C ATOM 329 CD1 LEU A 19 102.418 -3.312 11.263 1.00 0.00 C ATOM 330 CD2 LEU A 19 100.010 -3.841 11.659 1.00 0.00 C ATOM 0 H LEU A 19 101.522 -0.279 14.281 1.00 0.00 H new ATOM 0 HA LEU A 19 99.303 -1.900 13.308 1.00 0.00 H new ATOM 0 HB2 LEU A 19 102.260 -2.105 13.592 1.00 0.00 H new ATOM 0 HB3 LEU A 19 101.403 -3.604 13.892 1.00 0.00 H new ATOM 0 HG LEU A 19 100.837 -1.861 11.454 1.00 0.00 H new ATOM 0 HD11 LEU A 19 102.271 -3.442 10.191 1.00 0.00 H new ATOM 0 HD12 LEU A 19 103.210 -2.583 11.435 1.00 0.00 H new ATOM 0 HD13 LEU A 19 102.700 -4.266 11.709 1.00 0.00 H new ATOM 0 HD21 LEU A 19 99.862 -3.972 10.587 1.00 0.00 H new ATOM 0 HD22 LEU A 19 100.293 -4.794 12.106 1.00 0.00 H new ATOM 0 HD23 LEU A 19 99.084 -3.489 12.112 1.00 0.00 H new ATOM 342 N LYS A 20 100.580 -2.236 16.343 1.00 0.00 N ATOM 343 CA LYS A 20 100.288 -2.748 17.677 1.00 0.00 C ATOM 344 C LYS A 20 98.825 -2.509 18.036 1.00 0.00 C ATOM 345 O LYS A 20 98.209 -3.312 18.736 1.00 0.00 O ATOM 346 CB LYS A 20 101.187 -2.061 18.708 1.00 0.00 C ATOM 347 CG LYS A 20 100.976 -2.704 20.079 1.00 0.00 C ATOM 348 CD LYS A 20 101.967 -2.109 21.081 1.00 0.00 C ATOM 349 CE LYS A 20 101.818 -2.816 22.430 1.00 0.00 C ATOM 350 NZ LYS A 20 100.478 -2.508 23.008 1.00 0.00 N ATOM 0 H LYS A 20 101.455 -1.718 16.268 1.00 0.00 H new ATOM 0 HA LYS A 20 100.481 -3.821 17.683 1.00 0.00 H new ATOM 0 HB2 LYS A 20 102.232 -2.149 18.411 1.00 0.00 H new ATOM 0 HB3 LYS A 20 100.957 -0.997 18.755 1.00 0.00 H new ATOM 0 HG2 LYS A 20 99.954 -2.535 20.418 1.00 0.00 H new ATOM 0 HG3 LYS A 20 101.115 -3.783 20.011 1.00 0.00 H new ATOM 0 HD2 LYS A 20 102.986 -2.221 20.711 1.00 0.00 H new ATOM 0 HD3 LYS A 20 101.786 -1.040 21.197 1.00 0.00 H new ATOM 0 HE2 LYS A 20 101.932 -3.893 22.303 1.00 0.00 H new ATOM 0 HE3 LYS A 20 102.604 -2.490 23.112 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 100.472 -2.751 24.019 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 100.275 -1.494 22.894 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 99.751 -3.064 22.514 1.00 0.00 H new ATOM 364 N THR A 21 98.276 -1.401 17.550 1.00 0.00 N ATOM 365 CA THR A 21 96.882 -1.070 17.820 1.00 0.00 C ATOM 366 C THR A 21 95.957 -2.144 17.257 1.00 0.00 C ATOM 367 O THR A 21 94.896 -2.420 17.818 1.00 0.00 O ATOM 368 CB THR A 21 96.535 0.284 17.196 1.00 0.00 C ATOM 369 OG1 THR A 21 95.362 0.800 17.808 1.00 0.00 O ATOM 370 CG2 THR A 21 96.296 0.109 15.695 1.00 0.00 C ATOM 0 H THR A 21 98.770 -0.722 16.972 1.00 0.00 H new ATOM 0 HA THR A 21 96.744 -1.018 18.900 1.00 0.00 H new ATOM 0 HB THR A 21 97.361 0.979 17.352 1.00 0.00 H new ATOM 0 HG1 THR A 21 95.140 1.668 17.410 1.00 0.00 H new ATOM 0 HG21 THR A 21 96.049 1.073 15.251 1.00 0.00 H new ATOM 0 HG22 THR A 21 97.198 -0.286 15.227 1.00 0.00 H new ATOM 0 HG23 THR A 21 95.471 -0.585 15.536 1.00 0.00 H new ATOM 378 N ARG A 22 96.366 -2.748 16.147 1.00 0.00 N ATOM 379 CA ARG A 22 95.568 -3.794 15.518 1.00 0.00 C ATOM 380 C ARG A 22 95.681 -5.097 16.303 1.00 0.00 C ATOM 381 O ARG A 22 94.954 -6.056 16.041 1.00 0.00 O ATOM 382 CB ARG A 22 96.041 -4.019 14.081 1.00 0.00 C ATOM 383 CG ARG A 22 95.567 -2.862 13.199 1.00 0.00 C ATOM 384 CD ARG A 22 96.001 -3.109 11.755 1.00 0.00 C ATOM 385 NE ARG A 22 95.564 -2.010 10.901 1.00 0.00 N ATOM 386 CZ ARG A 22 94.365 -2.019 10.329 1.00 0.00 C ATOM 387 NH1 ARG A 22 93.997 -1.024 9.570 1.00 0.00 N ATOM 388 NH2 ARG A 22 93.555 -3.023 10.526 1.00 0.00 N ATOM 0 H ARG A 22 97.240 -2.533 15.667 1.00 0.00 H new ATOM 0 HA ARG A 22 94.526 -3.476 15.511 1.00 0.00 H new ATOM 0 HB2 ARG A 22 97.128 -4.090 14.052 1.00 0.00 H new ATOM 0 HB3 ARG A 22 95.650 -4.963 13.702 1.00 0.00 H new ATOM 0 HG2 ARG A 22 94.482 -2.771 13.253 1.00 0.00 H new ATOM 0 HG3 ARG A 22 95.984 -1.922 13.559 1.00 0.00 H new ATOM 0 HD2 ARG A 22 97.085 -3.208 11.706 1.00 0.00 H new ATOM 0 HD3 ARG A 22 95.579 -4.048 11.396 1.00 0.00 H new ATOM 0 HE ARG A 22 96.190 -1.221 10.740 1.00 0.00 H new ATOM 0 HH11 ARG A 22 94.630 -0.239 9.416 1.00 0.00 H new ATOM 0 HH12 ARG A 22 93.076 -1.031 9.131 1.00 0.00 H new ATOM 0 HH21 ARG A 22 93.842 -3.801 11.119 1.00 0.00 H new ATOM 0 HH22 ARG A 22 92.635 -3.029 10.087 1.00 0.00 H new ATOM 402 N GLY A 23 96.596 -5.125 17.266 1.00 0.00 N ATOM 403 CA GLY A 23 96.793 -6.315 18.084 1.00 0.00 C ATOM 404 C GLY A 23 98.076 -7.039 17.692 1.00 0.00 C ATOM 405 O GLY A 23 98.176 -8.260 17.821 1.00 0.00 O ATOM 0 H GLY A 23 97.209 -4.343 17.498 1.00 0.00 H new ATOM 0 HA2 GLY A 23 96.836 -6.035 19.136 1.00 0.00 H new ATOM 0 HA3 GLY A 23 95.942 -6.986 17.968 1.00 0.00 H new ATOM 409 N VAL A 24 99.055 -6.279 17.211 1.00 0.00 N ATOM 410 CA VAL A 24 100.329 -6.861 16.802 1.00 0.00 C ATOM 411 C VAL A 24 101.416 -6.542 17.824 1.00 0.00 C ATOM 412 O VAL A 24 101.223 -5.710 18.711 1.00 0.00 O ATOM 413 CB VAL A 24 100.735 -6.314 15.433 1.00 0.00 C ATOM 414 CG1 VAL A 24 101.790 -7.230 14.810 1.00 0.00 C ATOM 415 CG2 VAL A 24 99.507 -6.259 14.522 1.00 0.00 C ATOM 0 H VAL A 24 98.992 -5.268 17.095 1.00 0.00 H new ATOM 0 HA VAL A 24 100.212 -7.943 16.741 1.00 0.00 H new ATOM 0 HB VAL A 24 101.147 -5.312 15.550 1.00 0.00 H new ATOM 0 HG11 VAL A 24 102.080 -6.840 13.834 1.00 0.00 H new ATOM 0 HG12 VAL A 24 102.665 -7.271 15.459 1.00 0.00 H new ATOM 0 HG13 VAL A 24 101.378 -8.232 14.693 1.00 0.00 H new ATOM 0 HG21 VAL A 24 99.795 -5.869 13.546 1.00 0.00 H new ATOM 0 HG22 VAL A 24 99.095 -7.262 14.405 1.00 0.00 H new ATOM 0 HG23 VAL A 24 98.754 -5.607 14.965 1.00 0.00 H new ATOM 425 N LYS A 25 102.559 -7.206 17.690 1.00 0.00 N ATOM 426 CA LYS A 25 103.676 -6.976 18.600 1.00 0.00 C ATOM 427 C LYS A 25 104.854 -6.356 17.856 1.00 0.00 C ATOM 428 O LYS A 25 105.123 -6.699 16.705 1.00 0.00 O ATOM 429 CB LYS A 25 104.111 -8.297 19.237 1.00 0.00 C ATOM 430 CG LYS A 25 102.997 -8.816 20.149 1.00 0.00 C ATOM 431 CD LYS A 25 103.429 -10.141 20.780 1.00 0.00 C ATOM 432 CE LYS A 25 102.306 -10.671 21.675 1.00 0.00 C ATOM 433 NZ LYS A 25 102.743 -11.942 22.320 1.00 0.00 N ATOM 0 H LYS A 25 102.736 -7.903 16.966 1.00 0.00 H new ATOM 0 HA LYS A 25 103.350 -6.287 19.379 1.00 0.00 H new ATOM 0 HB2 LYS A 25 104.333 -9.031 18.462 1.00 0.00 H new ATOM 0 HB3 LYS A 25 105.027 -8.152 19.810 1.00 0.00 H new ATOM 0 HG2 LYS A 25 102.779 -8.084 20.927 1.00 0.00 H new ATOM 0 HG3 LYS A 25 102.080 -8.955 19.577 1.00 0.00 H new ATOM 0 HD2 LYS A 25 103.662 -10.868 20.002 1.00 0.00 H new ATOM 0 HD3 LYS A 25 104.338 -9.998 21.365 1.00 0.00 H new ATOM 0 HE2 LYS A 25 102.054 -9.933 22.436 1.00 0.00 H new ATOM 0 HE3 LYS A 25 101.406 -10.841 21.085 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 101.980 -12.303 22.928 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 102.963 -12.646 21.587 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 103.591 -11.765 22.896 1.00 0.00 H new ATOM 447 N VAL A 26 105.550 -5.440 18.521 1.00 0.00 N ATOM 448 CA VAL A 26 106.694 -4.772 17.909 1.00 0.00 C ATOM 449 C VAL A 26 107.977 -5.113 18.658 1.00 0.00 C ATOM 450 O VAL A 26 108.354 -4.430 19.610 1.00 0.00 O ATOM 451 CB VAL A 26 106.481 -3.258 17.922 1.00 0.00 C ATOM 452 CG1 VAL A 26 105.176 -2.918 17.201 1.00 0.00 C ATOM 453 CG2 VAL A 26 106.405 -2.766 19.369 1.00 0.00 C ATOM 0 H VAL A 26 105.345 -5.145 19.476 1.00 0.00 H new ATOM 0 HA VAL A 26 106.785 -5.118 16.879 1.00 0.00 H new ATOM 0 HB VAL A 26 107.314 -2.771 17.414 1.00 0.00 H new ATOM 0 HG11 VAL A 26 105.025 -1.839 17.211 1.00 0.00 H new ATOM 0 HG12 VAL A 26 105.228 -3.268 16.170 1.00 0.00 H new ATOM 0 HG13 VAL A 26 104.343 -3.405 17.707 1.00 0.00 H new ATOM 0 HG21 VAL A 26 106.253 -1.687 19.379 1.00 0.00 H new ATOM 0 HG22 VAL A 26 105.573 -3.254 19.876 1.00 0.00 H new ATOM 0 HG23 VAL A 26 107.335 -3.006 19.884 1.00 0.00 H new ATOM 463 N LYS A 27 108.646 -6.177 18.222 1.00 0.00 N ATOM 464 CA LYS A 27 109.889 -6.599 18.857 1.00 0.00 C ATOM 465 C LYS A 27 111.078 -6.329 17.939 1.00 0.00 C ATOM 466 O LYS A 27 110.909 -6.088 16.744 1.00 0.00 O ATOM 467 CB LYS A 27 109.826 -8.090 19.189 1.00 0.00 C ATOM 468 CG LYS A 27 110.724 -8.384 20.392 1.00 0.00 C ATOM 469 CD LYS A 27 111.138 -9.857 20.373 1.00 0.00 C ATOM 470 CE LYS A 27 109.891 -10.740 20.437 1.00 0.00 C ATOM 471 NZ LYS A 27 110.295 -12.154 20.675 1.00 0.00 N ATOM 0 H LYS A 27 108.350 -6.758 17.438 1.00 0.00 H new ATOM 0 HA LYS A 27 110.018 -6.028 19.777 1.00 0.00 H new ATOM 0 HB2 LYS A 27 108.799 -8.381 19.409 1.00 0.00 H new ATOM 0 HB3 LYS A 27 110.147 -8.679 18.330 1.00 0.00 H new ATOM 0 HG2 LYS A 27 111.608 -7.747 20.364 1.00 0.00 H new ATOM 0 HG3 LYS A 27 110.196 -8.156 21.318 1.00 0.00 H new ATOM 0 HD2 LYS A 27 111.704 -10.075 19.467 1.00 0.00 H new ATOM 0 HD3 LYS A 27 111.792 -10.072 21.218 1.00 0.00 H new ATOM 0 HE2 LYS A 27 109.232 -10.400 21.236 1.00 0.00 H new ATOM 0 HE3 LYS A 27 109.330 -10.663 19.506 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 109.447 -12.755 20.719 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 110.908 -12.475 19.898 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 110.813 -12.220 21.574 1.00 0.00 H new ATOM 485 N TYR A 28 112.279 -6.374 18.507 1.00 0.00 N ATOM 486 CA TYR A 28 113.490 -6.145 17.728 1.00 0.00 C ATOM 487 C TYR A 28 113.665 -7.235 16.675 1.00 0.00 C ATOM 488 O TYR A 28 114.139 -6.974 15.570 1.00 0.00 O ATOM 489 CB TYR A 28 114.709 -6.123 18.651 1.00 0.00 C ATOM 490 CG TYR A 28 114.627 -4.925 19.565 1.00 0.00 C ATOM 491 CD1 TYR A 28 115.194 -3.706 19.175 1.00 0.00 C ATOM 492 CD2 TYR A 28 113.984 -5.032 20.804 1.00 0.00 C ATOM 493 CE1 TYR A 28 115.117 -2.594 20.023 1.00 0.00 C ATOM 494 CE2 TYR A 28 113.908 -3.921 21.653 1.00 0.00 C ATOM 495 CZ TYR A 28 114.474 -2.702 21.262 1.00 0.00 C ATOM 496 OH TYR A 28 114.400 -1.607 22.098 1.00 0.00 O ATOM 0 H TYR A 28 112.439 -6.565 19.496 1.00 0.00 H new ATOM 0 HA TYR A 28 113.399 -5.182 17.225 1.00 0.00 H new ATOM 0 HB2 TYR A 28 114.750 -7.040 19.239 1.00 0.00 H new ATOM 0 HB3 TYR A 28 115.625 -6.082 18.061 1.00 0.00 H new ATOM 0 HD1 TYR A 28 115.691 -3.623 18.220 1.00 0.00 H new ATOM 0 HD2 TYR A 28 113.546 -5.972 21.105 1.00 0.00 H new ATOM 0 HE1 TYR A 28 115.554 -1.653 19.721 1.00 0.00 H new ATOM 0 HE2 TYR A 28 113.413 -4.005 22.609 1.00 0.00 H new ATOM 0 HH TYR A 28 113.920 -1.852 22.917 1.00 0.00 H new ATOM 506 N ALA A 29 113.279 -8.457 17.027 1.00 0.00 N ATOM 507 CA ALA A 29 113.383 -9.578 16.100 1.00 0.00 C ATOM 508 C ALA A 29 112.514 -9.338 14.870 1.00 0.00 C ATOM 509 O ALA A 29 112.743 -9.926 13.813 1.00 0.00 O ATOM 510 CB ALA A 29 112.947 -10.870 16.792 1.00 0.00 C ATOM 0 H ALA A 29 112.894 -8.695 17.941 1.00 0.00 H new ATOM 0 HA ALA A 29 114.422 -9.669 15.784 1.00 0.00 H new ATOM 0 HB1 ALA A 29 113.028 -11.702 16.093 1.00 0.00 H new ATOM 0 HB2 ALA A 29 113.589 -11.056 17.653 1.00 0.00 H new ATOM 0 HB3 ALA A 29 111.913 -10.774 17.124 1.00 0.00 H new ATOM 516 N ASP A 30 111.519 -8.471 15.015 1.00 0.00 N ATOM 517 CA ASP A 30 110.619 -8.163 13.909 1.00 0.00 C ATOM 518 C ASP A 30 111.311 -7.263 12.891 1.00 0.00 C ATOM 519 O ASP A 30 111.122 -7.415 11.684 1.00 0.00 O ATOM 520 CB ASP A 30 109.362 -7.470 14.436 1.00 0.00 C ATOM 521 CG ASP A 30 108.667 -8.358 15.461 1.00 0.00 C ATOM 522 OD1 ASP A 30 108.918 -9.551 15.449 1.00 0.00 O ATOM 523 OD2 ASP A 30 107.893 -7.831 16.244 1.00 0.00 O ATOM 0 H ASP A 30 111.315 -7.972 15.881 1.00 0.00 H new ATOM 0 HA ASP A 30 110.340 -9.097 13.421 1.00 0.00 H new ATOM 0 HB2 ASP A 30 109.627 -6.515 14.890 1.00 0.00 H new ATOM 0 HB3 ASP A 30 108.683 -7.253 13.611 1.00 0.00 H new ATOM 528 N LEU A 31 112.112 -6.325 13.385 1.00 0.00 N ATOM 529 CA LEU A 31 112.838 -5.414 12.507 1.00 0.00 C ATOM 530 C LEU A 31 113.800 -6.188 11.610 1.00 0.00 C ATOM 531 O LEU A 31 113.920 -5.901 10.419 1.00 0.00 O ATOM 532 CB LEU A 31 113.621 -4.398 13.341 1.00 0.00 C ATOM 533 CG LEU A 31 112.679 -3.288 13.810 1.00 0.00 C ATOM 534 CD1 LEU A 31 112.291 -3.530 15.269 1.00 0.00 C ATOM 535 CD2 LEU A 31 113.388 -1.937 13.688 1.00 0.00 C ATOM 0 H LEU A 31 112.274 -6.176 14.381 1.00 0.00 H new ATOM 0 HA LEU A 31 112.116 -4.890 11.881 1.00 0.00 H new ATOM 0 HB2 LEU A 31 114.076 -4.891 14.200 1.00 0.00 H new ATOM 0 HB3 LEU A 31 114.433 -3.975 12.750 1.00 0.00 H new ATOM 0 HG LEU A 31 111.781 -3.287 13.192 1.00 0.00 H new ATOM 0 HD11 LEU A 31 111.620 -2.739 15.603 1.00 0.00 H new ATOM 0 HD12 LEU A 31 111.789 -4.493 15.357 1.00 0.00 H new ATOM 0 HD13 LEU A 31 113.188 -3.531 15.889 1.00 0.00 H new ATOM 0 HD21 LEU A 31 112.719 -1.144 14.022 1.00 0.00 H new ATOM 0 HD22 LEU A 31 114.285 -1.940 14.307 1.00 0.00 H new ATOM 0 HD23 LEU A 31 113.665 -1.764 12.648 1.00 0.00 H new ATOM 547 N LEU A 32 114.483 -7.170 12.191 1.00 0.00 N ATOM 548 CA LEU A 32 115.452 -7.959 11.441 1.00 0.00 C ATOM 549 C LEU A 32 114.811 -8.547 10.188 1.00 0.00 C ATOM 550 O LEU A 32 115.296 -8.342 9.075 1.00 0.00 O ATOM 551 CB LEU A 32 115.995 -9.090 12.317 1.00 0.00 C ATOM 552 CG LEU A 32 116.458 -8.519 13.658 1.00 0.00 C ATOM 553 CD1 LEU A 32 116.987 -9.651 14.541 1.00 0.00 C ATOM 554 CD2 LEU A 32 117.573 -7.498 13.420 1.00 0.00 C ATOM 0 H LEU A 32 114.384 -7.436 13.171 1.00 0.00 H new ATOM 0 HA LEU A 32 116.271 -7.305 11.143 1.00 0.00 H new ATOM 0 HB2 LEU A 32 115.223 -9.843 12.477 1.00 0.00 H new ATOM 0 HB3 LEU A 32 116.825 -9.587 11.815 1.00 0.00 H new ATOM 0 HG LEU A 32 115.618 -8.033 14.154 1.00 0.00 H new ATOM 0 HD11 LEU A 32 117.317 -9.243 15.497 1.00 0.00 H new ATOM 0 HD12 LEU A 32 116.195 -10.380 14.712 1.00 0.00 H new ATOM 0 HD13 LEU A 32 117.827 -10.137 14.045 1.00 0.00 H new ATOM 0 HD21 LEU A 32 117.903 -7.091 14.376 1.00 0.00 H new ATOM 0 HD22 LEU A 32 118.412 -7.985 12.923 1.00 0.00 H new ATOM 0 HD23 LEU A 32 117.199 -6.690 12.791 1.00 0.00 H new ATOM 566 N LYS A 33 113.718 -9.279 10.377 1.00 0.00 N ATOM 567 CA LYS A 33 113.038 -9.921 9.258 1.00 0.00 C ATOM 568 C LYS A 33 112.265 -8.890 8.440 1.00 0.00 C ATOM 569 O LYS A 33 112.391 -8.834 7.216 1.00 0.00 O ATOM 570 CB LYS A 33 112.074 -10.990 9.776 1.00 0.00 C ATOM 571 CG LYS A 33 111.439 -11.723 8.592 1.00 0.00 C ATOM 572 CD LYS A 33 110.590 -12.886 9.107 1.00 0.00 C ATOM 573 CE LYS A 33 109.929 -13.599 7.926 1.00 0.00 C ATOM 574 NZ LYS A 33 109.130 -14.753 8.426 1.00 0.00 N ATOM 0 H LYS A 33 113.287 -9.442 11.287 1.00 0.00 H new ATOM 0 HA LYS A 33 113.788 -10.388 8.620 1.00 0.00 H new ATOM 0 HB2 LYS A 33 112.606 -11.697 10.412 1.00 0.00 H new ATOM 0 HB3 LYS A 33 111.300 -10.530 10.390 1.00 0.00 H new ATOM 0 HG2 LYS A 33 110.821 -11.036 8.014 1.00 0.00 H new ATOM 0 HG3 LYS A 33 112.215 -12.094 7.922 1.00 0.00 H new ATOM 0 HD2 LYS A 33 111.213 -13.585 9.665 1.00 0.00 H new ATOM 0 HD3 LYS A 33 109.829 -12.518 9.795 1.00 0.00 H new ATOM 0 HE2 LYS A 33 109.286 -12.906 7.383 1.00 0.00 H new ATOM 0 HE3 LYS A 33 110.689 -13.945 7.225 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 108.681 -15.238 7.623 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 109.755 -15.417 8.926 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 108.396 -14.410 9.078 1.00 0.00 H new ATOM 588 N PHE A 34 111.464 -8.079 9.122 1.00 0.00 N ATOM 589 CA PHE A 34 110.639 -7.086 8.444 1.00 0.00 C ATOM 590 C PHE A 34 111.509 -6.129 7.634 1.00 0.00 C ATOM 591 O PHE A 34 111.172 -5.774 6.505 1.00 0.00 O ATOM 592 CB PHE A 34 109.823 -6.296 9.468 1.00 0.00 C ATOM 593 CG PHE A 34 108.901 -5.341 8.749 1.00 0.00 C ATOM 594 CD1 PHE A 34 109.212 -3.978 8.692 1.00 0.00 C ATOM 595 CD2 PHE A 34 107.735 -5.819 8.140 1.00 0.00 C ATOM 596 CE1 PHE A 34 108.356 -3.092 8.025 1.00 0.00 C ATOM 597 CE2 PHE A 34 106.879 -4.934 7.473 1.00 0.00 C ATOM 598 CZ PHE A 34 107.191 -3.570 7.416 1.00 0.00 C ATOM 0 H PHE A 34 111.368 -8.089 10.137 1.00 0.00 H new ATOM 0 HA PHE A 34 109.962 -7.606 7.766 1.00 0.00 H new ATOM 0 HB2 PHE A 34 109.244 -6.978 10.091 1.00 0.00 H new ATOM 0 HB3 PHE A 34 110.489 -5.745 10.132 1.00 0.00 H new ATOM 0 HD1 PHE A 34 110.112 -3.609 9.162 1.00 0.00 H new ATOM 0 HD2 PHE A 34 107.495 -6.871 8.185 1.00 0.00 H new ATOM 0 HE1 PHE A 34 108.596 -2.040 7.981 1.00 0.00 H new ATOM 0 HE2 PHE A 34 105.979 -5.303 7.003 1.00 0.00 H new ATOM 0 HZ PHE A 34 106.532 -2.887 6.901 1.00 0.00 H new ATOM 608 N PHE A 35 112.627 -5.716 8.221 1.00 0.00 N ATOM 609 CA PHE A 35 113.510 -4.756 7.569 1.00 0.00 C ATOM 610 C PHE A 35 114.247 -5.411 6.405 1.00 0.00 C ATOM 611 O PHE A 35 114.322 -4.851 5.311 1.00 0.00 O ATOM 612 CB PHE A 35 114.525 -4.210 8.576 1.00 0.00 C ATOM 613 CG PHE A 35 115.096 -2.911 8.062 1.00 0.00 C ATOM 614 CD1 PHE A 35 116.019 -2.920 7.010 1.00 0.00 C ATOM 615 CD2 PHE A 35 114.702 -1.697 8.638 1.00 0.00 C ATOM 616 CE1 PHE A 35 116.550 -1.714 6.533 1.00 0.00 C ATOM 617 CE2 PHE A 35 115.231 -0.491 8.161 1.00 0.00 C ATOM 618 CZ PHE A 35 116.155 -0.500 7.109 1.00 0.00 C ATOM 0 H PHE A 35 112.942 -6.028 9.140 1.00 0.00 H new ATOM 0 HA PHE A 35 112.903 -3.936 7.185 1.00 0.00 H new ATOM 0 HB2 PHE A 35 114.046 -4.052 9.542 1.00 0.00 H new ATOM 0 HB3 PHE A 35 115.324 -4.934 8.732 1.00 0.00 H new ATOM 0 HD1 PHE A 35 116.322 -3.857 6.566 1.00 0.00 H new ATOM 0 HD2 PHE A 35 113.990 -1.691 9.450 1.00 0.00 H new ATOM 0 HE1 PHE A 35 117.263 -1.721 5.722 1.00 0.00 H new ATOM 0 HE2 PHE A 35 114.926 0.445 8.604 1.00 0.00 H new ATOM 0 HZ PHE A 35 116.563 0.430 6.741 1.00 0.00 H new ATOM 628 N ASP A 36 114.790 -6.599 6.648 1.00 0.00 N ATOM 629 CA ASP A 36 115.517 -7.322 5.611 1.00 0.00 C ATOM 630 C ASP A 36 114.546 -7.974 4.633 1.00 0.00 C ATOM 631 O ASP A 36 114.913 -8.305 3.505 1.00 0.00 O ATOM 632 CB ASP A 36 116.403 -8.396 6.246 1.00 0.00 C ATOM 633 CG ASP A 36 117.524 -7.742 7.045 1.00 0.00 C ATOM 634 OD1 ASP A 36 118.096 -8.414 7.887 1.00 0.00 O ATOM 635 OD2 ASP A 36 117.795 -6.576 6.803 1.00 0.00 O ATOM 0 H ASP A 36 114.741 -7.079 7.547 1.00 0.00 H new ATOM 0 HA ASP A 36 116.141 -6.612 5.068 1.00 0.00 H new ATOM 0 HB2 ASP A 36 115.805 -9.034 6.897 1.00 0.00 H new ATOM 0 HB3 ASP A 36 116.824 -9.037 5.471 1.00 0.00 H new ATOM 640 N PHE A 37 113.304 -8.157 5.071 1.00 0.00 N ATOM 641 CA PHE A 37 112.292 -8.785 4.230 1.00 0.00 C ATOM 642 C PHE A 37 112.062 -7.965 2.965 1.00 0.00 C ATOM 643 O PHE A 37 112.116 -8.491 1.853 1.00 0.00 O ATOM 644 CB PHE A 37 110.978 -8.915 5.002 1.00 0.00 C ATOM 645 CG PHE A 37 109.823 -8.949 4.030 1.00 0.00 C ATOM 646 CD1 PHE A 37 109.838 -9.847 2.957 1.00 0.00 C ATOM 647 CD2 PHE A 37 108.737 -8.081 4.202 1.00 0.00 C ATOM 648 CE1 PHE A 37 108.767 -9.879 2.055 1.00 0.00 C ATOM 649 CE2 PHE A 37 107.666 -8.112 3.301 1.00 0.00 C ATOM 650 CZ PHE A 37 107.682 -9.011 2.228 1.00 0.00 C ATOM 0 H PHE A 37 112.976 -7.881 5.997 1.00 0.00 H new ATOM 0 HA PHE A 37 112.646 -9.776 3.947 1.00 0.00 H new ATOM 0 HB2 PHE A 37 110.987 -9.823 5.605 1.00 0.00 H new ATOM 0 HB3 PHE A 37 110.864 -8.077 5.690 1.00 0.00 H new ATOM 0 HD1 PHE A 37 110.676 -10.516 2.824 1.00 0.00 H new ATOM 0 HD2 PHE A 37 108.726 -7.388 5.030 1.00 0.00 H new ATOM 0 HE1 PHE A 37 108.778 -10.572 1.227 1.00 0.00 H new ATOM 0 HE2 PHE A 37 106.828 -7.443 3.434 1.00 0.00 H new ATOM 0 HZ PHE A 37 106.856 -9.035 1.533 1.00 0.00 H new ATOM 660 N VAL A 38 111.805 -6.673 3.141 1.00 0.00 N ATOM 661 CA VAL A 38 111.559 -5.790 2.006 1.00 0.00 C ATOM 662 C VAL A 38 112.868 -5.443 1.305 1.00 0.00 C ATOM 663 O VAL A 38 112.908 -5.294 0.084 1.00 0.00 O ATOM 664 CB VAL A 38 110.874 -4.508 2.481 1.00 0.00 C ATOM 665 CG1 VAL A 38 109.379 -4.768 2.676 1.00 0.00 C ATOM 666 CG2 VAL A 38 111.491 -4.064 3.809 1.00 0.00 C ATOM 0 H VAL A 38 111.762 -6.216 4.052 1.00 0.00 H new ATOM 0 HA VAL A 38 110.909 -6.307 1.300 1.00 0.00 H new ATOM 0 HB VAL A 38 111.011 -3.725 1.735 1.00 0.00 H new ATOM 0 HG11 VAL A 38 108.892 -3.854 3.015 1.00 0.00 H new ATOM 0 HG12 VAL A 38 108.939 -5.085 1.731 1.00 0.00 H new ATOM 0 HG13 VAL A 38 109.240 -5.551 3.422 1.00 0.00 H new ATOM 0 HG21 VAL A 38 111.004 -3.150 4.149 1.00 0.00 H new ATOM 0 HG22 VAL A 38 111.353 -4.848 4.554 1.00 0.00 H new ATOM 0 HG23 VAL A 38 112.556 -3.878 3.671 1.00 0.00 H new ATOM 676 N LYS A 39 113.935 -5.313 2.086 1.00 0.00 N ATOM 677 CA LYS A 39 115.240 -4.977 1.529 1.00 0.00 C ATOM 678 C LYS A 39 115.730 -6.086 0.603 1.00 0.00 C ATOM 679 O LYS A 39 116.439 -5.829 -0.369 1.00 0.00 O ATOM 680 CB LYS A 39 116.252 -4.767 2.658 1.00 0.00 C ATOM 681 CG LYS A 39 117.453 -3.982 2.128 1.00 0.00 C ATOM 682 CD LYS A 39 118.434 -3.716 3.272 1.00 0.00 C ATOM 683 CE LYS A 39 119.636 -2.933 2.742 1.00 0.00 C ATOM 684 NZ LYS A 39 120.608 -2.706 3.849 1.00 0.00 N ATOM 0 H LYS A 39 113.923 -5.434 3.099 1.00 0.00 H new ATOM 0 HA LYS A 39 115.142 -4.056 0.954 1.00 0.00 H new ATOM 0 HB2 LYS A 39 115.786 -4.227 3.482 1.00 0.00 H new ATOM 0 HB3 LYS A 39 116.578 -5.730 3.052 1.00 0.00 H new ATOM 0 HG2 LYS A 39 117.947 -4.543 1.335 1.00 0.00 H new ATOM 0 HG3 LYS A 39 117.121 -3.039 1.693 1.00 0.00 H new ATOM 0 HD2 LYS A 39 117.941 -3.153 4.065 1.00 0.00 H new ATOM 0 HD3 LYS A 39 118.764 -4.659 3.708 1.00 0.00 H new ATOM 0 HE2 LYS A 39 120.114 -3.484 1.932 1.00 0.00 H new ATOM 0 HE3 LYS A 39 119.309 -1.979 2.330 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 121.426 -2.174 3.489 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 120.149 -2.164 4.608 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 120.929 -3.622 4.223 1.00 0.00 H new ATOM 698 N ASP A 40 115.347 -7.321 0.914 1.00 0.00 N ATOM 699 CA ASP A 40 115.765 -8.464 0.111 1.00 0.00 C ATOM 700 C ASP A 40 115.451 -8.228 -1.363 1.00 0.00 C ATOM 701 O ASP A 40 116.288 -8.470 -2.232 1.00 0.00 O ATOM 702 CB ASP A 40 115.050 -9.728 0.591 1.00 0.00 C ATOM 703 CG ASP A 40 115.748 -10.283 1.828 1.00 0.00 C ATOM 704 OD1 ASP A 40 116.828 -9.809 2.139 1.00 0.00 O ATOM 705 OD2 ASP A 40 115.192 -11.176 2.448 1.00 0.00 O ATOM 0 H ASP A 40 114.753 -7.554 1.710 1.00 0.00 H new ATOM 0 HA ASP A 40 116.842 -8.590 0.225 1.00 0.00 H new ATOM 0 HB2 ASP A 40 114.009 -9.502 0.821 1.00 0.00 H new ATOM 0 HB3 ASP A 40 115.046 -10.477 -0.201 1.00 0.00 H new ATOM 710 N THR A 41 114.240 -7.754 -1.635 1.00 0.00 N ATOM 711 CA THR A 41 113.826 -7.488 -3.009 1.00 0.00 C ATOM 712 C THR A 41 113.617 -5.993 -3.226 1.00 0.00 C ATOM 713 O THR A 41 113.374 -5.547 -4.347 1.00 0.00 O ATOM 714 CB THR A 41 112.528 -8.237 -3.317 1.00 0.00 C ATOM 715 OG1 THR A 41 111.609 -8.048 -2.250 1.00 0.00 O ATOM 716 CG2 THR A 41 112.823 -9.729 -3.480 1.00 0.00 C ATOM 0 H THR A 41 113.533 -7.547 -0.930 1.00 0.00 H new ATOM 0 HA THR A 41 114.613 -7.834 -3.679 1.00 0.00 H new ATOM 0 HB THR A 41 112.097 -7.852 -4.241 1.00 0.00 H new ATOM 0 HG1 THR A 41 110.776 -8.526 -2.447 1.00 0.00 H new ATOM 0 HG21 THR A 41 111.897 -10.261 -3.699 1.00 0.00 H new ATOM 0 HG22 THR A 41 113.527 -9.873 -4.299 1.00 0.00 H new ATOM 0 HG23 THR A 41 113.255 -10.117 -2.558 1.00 0.00 H new ATOM 724 N CYS A 42 113.713 -5.224 -2.146 1.00 0.00 N ATOM 725 CA CYS A 42 113.524 -3.780 -2.229 1.00 0.00 C ATOM 726 C CYS A 42 112.431 -3.441 -3.237 1.00 0.00 C ATOM 727 O CYS A 42 112.668 -2.725 -4.209 1.00 0.00 O ATOM 728 CB CYS A 42 114.832 -3.106 -2.645 1.00 0.00 C ATOM 729 SG CYS A 42 115.489 -3.921 -4.122 1.00 0.00 S ATOM 0 H CYS A 42 113.919 -5.573 -1.210 1.00 0.00 H new ATOM 0 HA CYS A 42 113.223 -3.414 -1.247 1.00 0.00 H new ATOM 0 HB2 CYS A 42 114.660 -2.049 -2.846 1.00 0.00 H new ATOM 0 HB3 CYS A 42 115.557 -3.162 -1.833 1.00 0.00 H new ATOM 0 HG CYS A 42 114.552 -4.628 -4.681 1.00 0.00 H new ATOM 735 N PRO A 43 111.246 -3.943 -3.017 1.00 0.00 N ATOM 736 CA PRO A 43 110.085 -3.695 -3.918 1.00 0.00 C ATOM 737 C PRO A 43 109.438 -2.335 -3.661 1.00 0.00 C ATOM 738 O PRO A 43 109.027 -1.646 -4.595 1.00 0.00 O ATOM 739 CB PRO A 43 109.117 -4.831 -3.584 1.00 0.00 C ATOM 740 CG PRO A 43 109.422 -5.212 -2.172 1.00 0.00 C ATOM 741 CD PRO A 43 110.887 -4.804 -1.881 1.00 0.00 C ATOM 0 HA PRO A 43 110.379 -3.675 -4.967 1.00 0.00 H new ATOM 0 HB2 PRO A 43 108.081 -4.508 -3.688 1.00 0.00 H new ATOM 0 HB3 PRO A 43 109.256 -5.676 -4.258 1.00 0.00 H new ATOM 0 HG2 PRO A 43 108.741 -4.710 -1.485 1.00 0.00 H new ATOM 0 HG3 PRO A 43 109.287 -6.284 -2.027 1.00 0.00 H new ATOM 0 HD2 PRO A 43 110.973 -4.272 -0.934 1.00 0.00 H new ATOM 0 HD3 PRO A 43 111.539 -5.675 -1.818 1.00 0.00 H new ATOM 749 N TRP A 44 109.352 -1.957 -2.391 1.00 0.00 N ATOM 750 CA TRP A 44 108.743 -0.684 -2.022 1.00 0.00 C ATOM 751 C TRP A 44 109.698 0.469 -2.310 1.00 0.00 C ATOM 752 O TRP A 44 109.417 1.620 -1.974 1.00 0.00 O ATOM 753 CB TRP A 44 108.380 -0.689 -0.536 1.00 0.00 C ATOM 754 CG TRP A 44 106.900 -0.839 -0.385 1.00 0.00 C ATOM 755 CD1 TRP A 44 105.975 -0.061 -0.992 1.00 0.00 C ATOM 756 CD2 TRP A 44 106.161 -1.811 0.411 1.00 0.00 C ATOM 757 NE1 TRP A 44 104.715 -0.493 -0.618 1.00 0.00 N ATOM 758 CE2 TRP A 44 104.777 -1.569 0.245 1.00 0.00 C ATOM 759 CE3 TRP A 44 106.554 -2.867 1.252 1.00 0.00 C ATOM 760 CZ2 TRP A 44 103.815 -2.347 0.890 1.00 0.00 C ATOM 761 CZ3 TRP A 44 105.589 -3.653 1.903 1.00 0.00 C ATOM 762 CH2 TRP A 44 104.223 -3.394 1.722 1.00 0.00 C ATOM 0 H TRP A 44 109.693 -2.509 -1.604 1.00 0.00 H new ATOM 0 HA TRP A 44 107.839 -0.550 -2.616 1.00 0.00 H new ATOM 0 HB2 TRP A 44 108.893 -1.506 -0.028 1.00 0.00 H new ATOM 0 HB3 TRP A 44 108.712 0.237 -0.066 1.00 0.00 H new ATOM 0 HD1 TRP A 44 106.185 0.762 -1.659 1.00 0.00 H new ATOM 0 HE1 TRP A 44 103.846 -0.068 -0.941 1.00 0.00 H new ATOM 0 HE3 TRP A 44 107.604 -3.075 1.398 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 102.764 -2.142 0.748 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 105.901 -4.462 2.547 1.00 0.00 H new ATOM 0 HH2 TRP A 44 103.486 -4.003 2.225 1.00 0.00 H new ATOM 773 N PHE A 45 110.828 0.153 -2.935 1.00 0.00 N ATOM 774 CA PHE A 45 111.821 1.171 -3.258 1.00 0.00 C ATOM 775 C PHE A 45 112.237 1.931 -2.002 1.00 0.00 C ATOM 776 O PHE A 45 112.189 3.161 -1.962 1.00 0.00 O ATOM 777 CB PHE A 45 111.251 2.152 -4.284 1.00 0.00 C ATOM 778 CG PHE A 45 110.631 1.382 -5.426 1.00 0.00 C ATOM 779 CD1 PHE A 45 109.268 1.527 -5.708 1.00 0.00 C ATOM 780 CD2 PHE A 45 111.420 0.525 -6.201 1.00 0.00 C ATOM 781 CE1 PHE A 45 108.694 0.813 -6.767 1.00 0.00 C ATOM 782 CE2 PHE A 45 110.845 -0.189 -7.260 1.00 0.00 C ATOM 783 CZ PHE A 45 109.482 -0.045 -7.542 1.00 0.00 C ATOM 0 H PHE A 45 111.078 -0.792 -3.226 1.00 0.00 H new ATOM 0 HA PHE A 45 112.697 0.676 -3.677 1.00 0.00 H new ATOM 0 HB2 PHE A 45 110.504 2.792 -3.815 1.00 0.00 H new ATOM 0 HB3 PHE A 45 112.041 2.804 -4.657 1.00 0.00 H new ATOM 0 HD1 PHE A 45 108.660 2.189 -5.110 1.00 0.00 H new ATOM 0 HD2 PHE A 45 112.472 0.414 -5.983 1.00 0.00 H new ATOM 0 HE1 PHE A 45 107.642 0.925 -6.986 1.00 0.00 H new ATOM 0 HE2 PHE A 45 111.453 -0.851 -7.859 1.00 0.00 H new ATOM 0 HZ PHE A 45 109.038 -0.596 -8.358 1.00 0.00 H new ATOM 793 N PRO A 46 112.641 1.219 -0.986 1.00 0.00 N ATOM 794 CA PRO A 46 113.049 1.825 0.314 1.00 0.00 C ATOM 795 C PRO A 46 114.004 3.000 0.126 1.00 0.00 C ATOM 796 O PRO A 46 114.307 3.724 1.074 1.00 0.00 O ATOM 797 CB PRO A 46 113.737 0.675 1.051 1.00 0.00 C ATOM 798 CG PRO A 46 113.838 -0.433 0.055 1.00 0.00 C ATOM 799 CD PRO A 46 112.753 -0.247 -0.968 1.00 0.00 C ATOM 0 HA PRO A 46 112.199 2.237 0.858 1.00 0.00 H new ATOM 0 HB2 PRO A 46 114.723 0.972 1.409 1.00 0.00 H new ATOM 0 HB3 PRO A 46 113.161 0.367 1.923 1.00 0.00 H new ATOM 0 HG2 PRO A 46 114.817 -0.425 -0.424 1.00 0.00 H new ATOM 0 HG3 PRO A 46 113.733 -1.399 0.549 1.00 0.00 H new ATOM 0 HD2 PRO A 46 113.029 -0.653 -1.941 1.00 0.00 H new ATOM 0 HD3 PRO A 46 111.821 -0.729 -0.674 1.00 0.00 H new ATOM 807 N GLN A 47 114.475 3.184 -1.103 1.00 0.00 N ATOM 808 CA GLN A 47 115.393 4.276 -1.405 1.00 0.00 C ATOM 809 C GLN A 47 114.721 5.624 -1.161 1.00 0.00 C ATOM 810 O GLN A 47 115.210 6.440 -0.381 1.00 0.00 O ATOM 811 CB GLN A 47 115.849 4.187 -2.862 1.00 0.00 C ATOM 812 CG GLN A 47 116.451 2.805 -3.126 1.00 0.00 C ATOM 813 CD GLN A 47 117.680 2.595 -2.249 1.00 0.00 C ATOM 814 OE1 GLN A 47 118.591 3.424 -2.247 1.00 0.00 O ATOM 815 NE2 GLN A 47 117.761 1.531 -1.498 1.00 0.00 N ATOM 0 H GLN A 47 114.238 2.595 -1.901 1.00 0.00 H new ATOM 0 HA GLN A 47 116.259 4.190 -0.748 1.00 0.00 H new ATOM 0 HB2 GLN A 47 115.005 4.361 -3.529 1.00 0.00 H new ATOM 0 HB3 GLN A 47 116.586 4.962 -3.071 1.00 0.00 H new ATOM 0 HG2 GLN A 47 115.711 2.032 -2.920 1.00 0.00 H new ATOM 0 HG3 GLN A 47 116.724 2.713 -4.177 1.00 0.00 H new ATOM 0 HE21 GLN A 47 117.005 0.846 -1.501 1.00 0.00 H new ATOM 0 HE22 GLN A 47 118.580 1.385 -0.908 1.00 0.00 H new ATOM 824 N GLU A 48 113.597 5.850 -1.835 1.00 0.00 N ATOM 825 CA GLU A 48 112.851 7.090 -1.661 1.00 0.00 C ATOM 826 C GLU A 48 111.748 6.910 -0.623 1.00 0.00 C ATOM 827 O GLU A 48 111.165 7.884 -0.147 1.00 0.00 O ATOM 828 CB GLU A 48 112.235 7.520 -2.994 1.00 0.00 C ATOM 829 CG GLU A 48 111.695 8.946 -2.870 1.00 0.00 C ATOM 830 CD GLU A 48 112.851 9.931 -2.734 1.00 0.00 C ATOM 831 OE1 GLU A 48 113.983 9.515 -2.920 1.00 0.00 O ATOM 832 OE2 GLU A 48 112.588 11.086 -2.445 1.00 0.00 O ATOM 0 H GLU A 48 113.186 5.196 -2.501 1.00 0.00 H new ATOM 0 HA GLU A 48 113.539 7.861 -1.314 1.00 0.00 H new ATOM 0 HB2 GLU A 48 112.983 7.471 -3.785 1.00 0.00 H new ATOM 0 HB3 GLU A 48 111.431 6.838 -3.272 1.00 0.00 H new ATOM 0 HG2 GLU A 48 111.096 9.194 -3.746 1.00 0.00 H new ATOM 0 HG3 GLU A 48 111.038 9.021 -2.003 1.00 0.00 H new ATOM 839 N GLY A 49 111.466 5.658 -0.277 1.00 0.00 N ATOM 840 CA GLY A 49 110.432 5.362 0.707 1.00 0.00 C ATOM 841 C GLY A 49 109.052 5.732 0.176 1.00 0.00 C ATOM 842 O GLY A 49 108.597 6.865 0.337 1.00 0.00 O ATOM 0 H GLY A 49 111.935 4.838 -0.660 1.00 0.00 H new ATOM 0 HA2 GLY A 49 110.457 4.302 0.958 1.00 0.00 H new ATOM 0 HA3 GLY A 49 110.632 5.912 1.626 1.00 0.00 H new ATOM 846 N THR A 50 108.391 4.771 -0.460 1.00 0.00 N ATOM 847 CA THR A 50 107.061 5.007 -1.011 1.00 0.00 C ATOM 848 C THR A 50 106.160 3.800 -0.772 1.00 0.00 C ATOM 849 O THR A 50 106.627 2.733 -0.374 1.00 0.00 O ATOM 850 CB THR A 50 107.159 5.284 -2.513 1.00 0.00 C ATOM 851 OG1 THR A 50 105.891 5.696 -3.001 1.00 0.00 O ATOM 852 CG2 THR A 50 107.599 4.012 -3.240 1.00 0.00 C ATOM 0 H THR A 50 108.751 3.828 -0.606 1.00 0.00 H new ATOM 0 HA THR A 50 106.629 5.873 -0.510 1.00 0.00 H new ATOM 0 HB THR A 50 107.890 6.073 -2.690 1.00 0.00 H new ATOM 0 HG1 THR A 50 105.588 5.071 -3.692 1.00 0.00 H new ATOM 0 HG21 THR A 50 107.669 4.210 -4.310 1.00 0.00 H new ATOM 0 HG22 THR A 50 108.573 3.697 -2.865 1.00 0.00 H new ATOM 0 HG23 THR A 50 106.869 3.221 -3.064 1.00 0.00 H new ATOM 860 N ILE A 51 104.865 3.977 -1.016 1.00 0.00 N ATOM 861 CA ILE A 51 103.909 2.890 -0.837 1.00 0.00 C ATOM 862 C ILE A 51 103.186 2.591 -2.146 1.00 0.00 C ATOM 863 O ILE A 51 102.819 3.503 -2.887 1.00 0.00 O ATOM 864 CB ILE A 51 102.887 3.267 0.237 1.00 0.00 C ATOM 865 CG1 ILE A 51 103.555 4.161 1.284 1.00 0.00 C ATOM 866 CG2 ILE A 51 102.364 1.997 0.912 1.00 0.00 C ATOM 867 CD1 ILE A 51 102.822 4.020 2.620 1.00 0.00 C ATOM 0 H ILE A 51 104.456 4.855 -1.336 1.00 0.00 H new ATOM 0 HA ILE A 51 104.454 1.999 -0.525 1.00 0.00 H new ATOM 0 HB ILE A 51 102.057 3.803 -0.224 1.00 0.00 H new ATOM 0 HG12 ILE A 51 104.602 3.882 1.401 1.00 0.00 H new ATOM 0 HG13 ILE A 51 103.537 5.200 0.955 1.00 0.00 H new ATOM 0 HG21 ILE A 51 101.636 2.265 1.677 1.00 0.00 H new ATOM 0 HG22 ILE A 51 101.889 1.358 0.167 1.00 0.00 H new ATOM 0 HG23 ILE A 51 103.194 1.462 1.373 1.00 0.00 H new ATOM 0 HD11 ILE A 51 103.298 4.657 3.365 1.00 0.00 H new ATOM 0 HD12 ILE A 51 101.781 4.320 2.498 1.00 0.00 H new ATOM 0 HD13 ILE A 51 102.864 2.982 2.950 1.00 0.00 H new ATOM 879 N ASP A 52 102.985 1.307 -2.425 1.00 0.00 N ATOM 880 CA ASP A 52 102.298 0.898 -3.644 1.00 0.00 C ATOM 881 C ASP A 52 101.444 -0.339 -3.389 1.00 0.00 C ATOM 882 O ASP A 52 101.950 -1.381 -2.972 1.00 0.00 O ATOM 883 CB ASP A 52 103.320 0.597 -4.743 1.00 0.00 C ATOM 884 CG ASP A 52 102.608 0.386 -6.074 1.00 0.00 C ATOM 885 OD1 ASP A 52 101.433 0.058 -6.049 1.00 0.00 O ATOM 886 OD2 ASP A 52 103.247 0.556 -7.099 1.00 0.00 O ATOM 0 H ASP A 52 103.286 0.537 -1.828 1.00 0.00 H new ATOM 0 HA ASP A 52 101.649 1.713 -3.964 1.00 0.00 H new ATOM 0 HB2 ASP A 52 104.029 1.421 -4.827 1.00 0.00 H new ATOM 0 HB3 ASP A 52 103.894 -0.292 -4.483 1.00 0.00 H new ATOM 891 N ILE A 53 100.144 -0.216 -3.643 1.00 0.00 N ATOM 892 CA ILE A 53 99.227 -1.331 -3.435 1.00 0.00 C ATOM 893 C ILE A 53 99.441 -2.406 -4.498 1.00 0.00 C ATOM 894 O ILE A 53 99.441 -3.599 -4.196 1.00 0.00 O ATOM 895 CB ILE A 53 97.782 -0.836 -3.491 1.00 0.00 C ATOM 896 CG1 ILE A 53 97.613 0.350 -2.538 1.00 0.00 C ATOM 897 CG2 ILE A 53 96.838 -1.963 -3.072 1.00 0.00 C ATOM 898 CD1 ILE A 53 98.085 -0.049 -1.139 1.00 0.00 C ATOM 0 H ILE A 53 99.705 0.637 -3.990 1.00 0.00 H new ATOM 0 HA ILE A 53 99.425 -1.762 -2.454 1.00 0.00 H new ATOM 0 HB ILE A 53 97.545 -0.524 -4.508 1.00 0.00 H new ATOM 0 HG12 ILE A 53 98.187 1.204 -2.897 1.00 0.00 H new ATOM 0 HG13 ILE A 53 96.568 0.659 -2.507 1.00 0.00 H new ATOM 0 HG21 ILE A 53 95.808 -1.609 -3.112 1.00 0.00 H new ATOM 0 HG22 ILE A 53 96.958 -2.809 -3.749 1.00 0.00 H new ATOM 0 HG23 ILE A 53 97.074 -2.276 -2.055 1.00 0.00 H new ATOM 0 HD11 ILE A 53 97.965 0.795 -0.460 1.00 0.00 H new ATOM 0 HD12 ILE A 53 97.491 -0.890 -0.781 1.00 0.00 H new ATOM 0 HD13 ILE A 53 99.136 -0.337 -1.178 1.00 0.00 H new ATOM 910 N LYS A 54 99.621 -1.972 -5.741 1.00 0.00 N ATOM 911 CA LYS A 54 99.811 -2.907 -6.844 1.00 0.00 C ATOM 912 C LYS A 54 101.095 -3.708 -6.654 1.00 0.00 C ATOM 913 O LYS A 54 101.083 -4.938 -6.698 1.00 0.00 O ATOM 914 CB LYS A 54 99.874 -2.146 -8.169 1.00 0.00 C ATOM 915 CG LYS A 54 100.021 -3.139 -9.323 1.00 0.00 C ATOM 916 CD LYS A 54 100.001 -2.383 -10.654 1.00 0.00 C ATOM 917 CE LYS A 54 100.140 -3.378 -11.808 1.00 0.00 C ATOM 918 NZ LYS A 54 100.112 -2.641 -13.104 1.00 0.00 N ATOM 0 H LYS A 54 99.639 -0.988 -6.009 1.00 0.00 H new ATOM 0 HA LYS A 54 98.966 -3.596 -6.860 1.00 0.00 H new ATOM 0 HB2 LYS A 54 98.971 -1.550 -8.301 1.00 0.00 H new ATOM 0 HB3 LYS A 54 100.715 -1.453 -8.163 1.00 0.00 H new ATOM 0 HG2 LYS A 54 100.954 -3.694 -9.222 1.00 0.00 H new ATOM 0 HG3 LYS A 54 99.211 -3.868 -9.295 1.00 0.00 H new ATOM 0 HD2 LYS A 54 99.071 -1.823 -10.753 1.00 0.00 H new ATOM 0 HD3 LYS A 54 100.814 -1.658 -10.685 1.00 0.00 H new ATOM 0 HE2 LYS A 54 101.073 -3.934 -11.713 1.00 0.00 H new ATOM 0 HE3 LYS A 54 99.330 -4.107 -11.774 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 100.206 -3.316 -13.889 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 99.211 -2.130 -13.193 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 100.899 -1.962 -13.134 1.00 0.00 H new ATOM 932 N ARG A 55 102.201 -3.002 -6.442 1.00 0.00 N ATOM 933 CA ARG A 55 103.489 -3.657 -6.254 1.00 0.00 C ATOM 934 C ARG A 55 103.473 -4.524 -4.999 1.00 0.00 C ATOM 935 O ARG A 55 104.051 -5.610 -4.975 1.00 0.00 O ATOM 936 CB ARG A 55 104.597 -2.608 -6.136 1.00 0.00 C ATOM 937 CG ARG A 55 105.897 -3.170 -6.715 1.00 0.00 C ATOM 938 CD ARG A 55 106.953 -2.065 -6.767 1.00 0.00 C ATOM 939 NE ARG A 55 106.581 -1.058 -7.754 1.00 0.00 N ATOM 940 CZ ARG A 55 106.632 -1.320 -9.056 1.00 0.00 C ATOM 941 NH1 ARG A 55 106.294 -0.402 -9.920 1.00 0.00 N ATOM 942 NH2 ARG A 55 107.020 -2.495 -9.471 1.00 0.00 N ATOM 0 H ARG A 55 102.231 -1.983 -6.396 1.00 0.00 H new ATOM 0 HA ARG A 55 103.680 -4.293 -7.119 1.00 0.00 H new ATOM 0 HB2 ARG A 55 104.312 -1.701 -6.669 1.00 0.00 H new ATOM 0 HB3 ARG A 55 104.741 -2.332 -5.091 1.00 0.00 H new ATOM 0 HG2 ARG A 55 106.252 -3.998 -6.102 1.00 0.00 H new ATOM 0 HG3 ARG A 55 105.721 -3.566 -7.715 1.00 0.00 H new ATOM 0 HD2 ARG A 55 107.054 -1.602 -5.785 1.00 0.00 H new ATOM 0 HD3 ARG A 55 107.924 -2.491 -7.020 1.00 0.00 H new ATOM 0 HE ARG A 55 106.276 -0.137 -7.440 1.00 0.00 H new ATOM 0 HH11 ARG A 55 105.991 0.516 -9.596 1.00 0.00 H new ATOM 0 HH12 ARG A 55 106.333 -0.603 -10.919 1.00 0.00 H new ATOM 0 HH21 ARG A 55 107.284 -3.213 -8.796 1.00 0.00 H new ATOM 0 HH22 ARG A 55 107.059 -2.696 -10.470 1.00 0.00 H new ATOM 956 N TRP A 56 102.805 -4.036 -3.958 1.00 0.00 N ATOM 957 CA TRP A 56 102.711 -4.779 -2.707 1.00 0.00 C ATOM 958 C TRP A 56 102.141 -6.172 -2.952 1.00 0.00 C ATOM 959 O TRP A 56 102.564 -7.146 -2.327 1.00 0.00 O ATOM 960 CB TRP A 56 101.818 -4.028 -1.719 1.00 0.00 C ATOM 961 CG TRP A 56 101.387 -4.957 -0.630 1.00 0.00 C ATOM 962 CD1 TRP A 56 100.102 -5.231 -0.305 1.00 0.00 C ATOM 963 CD2 TRP A 56 102.214 -5.737 0.281 1.00 0.00 C ATOM 964 NE1 TRP A 56 100.089 -6.129 0.747 1.00 0.00 N ATOM 965 CE2 TRP A 56 101.366 -6.472 1.142 1.00 0.00 C ATOM 966 CE3 TRP A 56 103.605 -5.878 0.441 1.00 0.00 C ATOM 967 CZ2 TRP A 56 101.880 -7.316 2.129 1.00 0.00 C ATOM 968 CZ3 TRP A 56 104.125 -6.727 1.431 1.00 0.00 C ATOM 969 CH2 TRP A 56 103.263 -7.444 2.274 1.00 0.00 C ATOM 0 H TRP A 56 102.324 -3.136 -3.956 1.00 0.00 H new ATOM 0 HA TRP A 56 103.713 -4.877 -2.289 1.00 0.00 H new ATOM 0 HB2 TRP A 56 102.358 -3.181 -1.296 1.00 0.00 H new ATOM 0 HB3 TRP A 56 100.946 -3.625 -2.234 1.00 0.00 H new ATOM 0 HD1 TRP A 56 99.230 -4.816 -0.788 1.00 0.00 H new ATOM 0 HE1 TRP A 56 99.239 -6.493 1.178 1.00 0.00 H new ATOM 0 HE3 TRP A 56 104.277 -5.329 -0.202 1.00 0.00 H new ATOM 0 HZ2 TRP A 56 101.212 -7.866 2.776 1.00 0.00 H new ATOM 0 HZ3 TRP A 56 105.194 -6.829 1.544 1.00 0.00 H new ATOM 0 HH2 TRP A 56 103.669 -8.095 3.035 1.00 0.00 H new ATOM 980 N ARG A 57 101.180 -6.261 -3.866 1.00 0.00 N ATOM 981 CA ARG A 57 100.566 -7.542 -4.192 1.00 0.00 C ATOM 982 C ARG A 57 101.583 -8.475 -4.839 1.00 0.00 C ATOM 983 O ARG A 57 101.625 -9.669 -4.538 1.00 0.00 O ATOM 984 CB ARG A 57 99.387 -7.329 -5.145 1.00 0.00 C ATOM 985 CG ARG A 57 98.714 -8.672 -5.434 1.00 0.00 C ATOM 986 CD ARG A 57 97.532 -8.458 -6.380 1.00 0.00 C ATOM 987 NE ARG A 57 96.766 -9.691 -6.519 1.00 0.00 N ATOM 988 CZ ARG A 57 97.069 -10.586 -7.454 1.00 0.00 C ATOM 989 NH1 ARG A 57 96.369 -11.683 -7.559 1.00 0.00 N ATOM 990 NH2 ARG A 57 98.066 -10.368 -8.267 1.00 0.00 N ATOM 0 H ARG A 57 100.812 -5.467 -4.390 1.00 0.00 H new ATOM 0 HA ARG A 57 100.209 -7.997 -3.268 1.00 0.00 H new ATOM 0 HB2 ARG A 57 98.669 -6.638 -4.703 1.00 0.00 H new ATOM 0 HB3 ARG A 57 99.734 -6.877 -6.074 1.00 0.00 H new ATOM 0 HG2 ARG A 57 99.431 -9.361 -5.881 1.00 0.00 H new ATOM 0 HG3 ARG A 57 98.372 -9.127 -4.504 1.00 0.00 H new ATOM 0 HD2 ARG A 57 96.890 -7.664 -5.998 1.00 0.00 H new ATOM 0 HD3 ARG A 57 97.893 -8.134 -7.356 1.00 0.00 H new ATOM 0 HE ARG A 57 95.985 -9.870 -5.888 1.00 0.00 H new ATOM 0 HH11 ARG A 57 95.590 -11.853 -6.924 1.00 0.00 H new ATOM 0 HH12 ARG A 57 96.602 -12.370 -8.276 1.00 0.00 H new ATOM 0 HH21 ARG A 57 98.613 -9.511 -8.185 1.00 0.00 H new ATOM 0 HH22 ARG A 57 98.299 -11.055 -8.984 1.00 0.00 H new ATOM 1004 N ARG A 58 102.402 -7.925 -5.730 1.00 0.00 N ATOM 1005 CA ARG A 58 103.411 -8.719 -6.420 1.00 0.00 C ATOM 1006 C ARG A 58 104.345 -9.387 -5.417 1.00 0.00 C ATOM 1007 O ARG A 58 104.546 -10.601 -5.454 1.00 0.00 O ATOM 1008 CB ARG A 58 104.222 -7.829 -7.363 1.00 0.00 C ATOM 1009 CG ARG A 58 103.365 -7.451 -8.573 1.00 0.00 C ATOM 1010 CD ARG A 58 104.154 -6.511 -9.485 1.00 0.00 C ATOM 1011 NE ARG A 58 103.354 -6.143 -10.646 1.00 0.00 N ATOM 1012 CZ ARG A 58 103.802 -5.270 -11.542 1.00 0.00 C ATOM 1013 NH1 ARG A 58 103.066 -4.957 -12.573 1.00 0.00 N ATOM 1014 NH2 ARG A 58 104.978 -4.725 -11.390 1.00 0.00 N ATOM 0 H ARG A 58 102.387 -6.939 -5.990 1.00 0.00 H new ATOM 0 HA ARG A 58 102.905 -9.492 -6.998 1.00 0.00 H new ATOM 0 HB2 ARG A 58 104.548 -6.930 -6.840 1.00 0.00 H new ATOM 0 HB3 ARG A 58 105.121 -8.352 -7.690 1.00 0.00 H new ATOM 0 HG2 ARG A 58 103.075 -8.348 -9.121 1.00 0.00 H new ATOM 0 HG3 ARG A 58 102.445 -6.968 -8.244 1.00 0.00 H new ATOM 0 HD2 ARG A 58 104.441 -5.615 -8.934 1.00 0.00 H new ATOM 0 HD3 ARG A 58 105.075 -6.996 -9.808 1.00 0.00 H new ATOM 0 HE ARG A 58 102.433 -6.563 -10.773 1.00 0.00 H new ATOM 0 HH11 ARG A 58 102.147 -5.382 -12.691 1.00 0.00 H new ATOM 0 HH12 ARG A 58 103.410 -4.287 -13.261 1.00 0.00 H new ATOM 0 HH21 ARG A 58 105.553 -4.969 -10.584 1.00 0.00 H new ATOM 0 HH22 ARG A 58 105.322 -4.055 -12.078 1.00 0.00 H new ATOM 1028 N VAL A 59 104.915 -8.586 -4.522 1.00 0.00 N ATOM 1029 CA VAL A 59 105.832 -9.109 -3.517 1.00 0.00 C ATOM 1030 C VAL A 59 105.105 -10.061 -2.572 1.00 0.00 C ATOM 1031 O VAL A 59 105.651 -11.088 -2.170 1.00 0.00 O ATOM 1032 CB VAL A 59 106.441 -7.959 -2.716 1.00 0.00 C ATOM 1033 CG1 VAL A 59 105.326 -7.045 -2.205 1.00 0.00 C ATOM 1034 CG2 VAL A 59 107.222 -8.523 -1.527 1.00 0.00 C ATOM 0 H VAL A 59 104.759 -7.579 -4.472 1.00 0.00 H new ATOM 0 HA VAL A 59 106.625 -9.656 -4.026 1.00 0.00 H new ATOM 0 HB VAL A 59 107.114 -7.388 -3.356 1.00 0.00 H new ATOM 0 HG11 VAL A 59 105.761 -6.225 -1.634 1.00 0.00 H new ATOM 0 HG12 VAL A 59 104.769 -6.643 -3.051 1.00 0.00 H new ATOM 0 HG13 VAL A 59 104.652 -7.615 -1.566 1.00 0.00 H new ATOM 0 HG21 VAL A 59 107.657 -7.703 -0.955 1.00 0.00 H new ATOM 0 HG22 VAL A 59 106.549 -9.094 -0.888 1.00 0.00 H new ATOM 0 HG23 VAL A 59 108.017 -9.174 -1.890 1.00 0.00 H new ATOM 1044 N GLY A 60 103.872 -9.711 -2.222 1.00 0.00 N ATOM 1045 CA GLY A 60 103.079 -10.544 -1.325 1.00 0.00 C ATOM 1046 C GLY A 60 102.829 -11.918 -1.936 1.00 0.00 C ATOM 1047 O GLY A 60 103.029 -12.943 -1.284 1.00 0.00 O ATOM 0 H GLY A 60 103.403 -8.864 -2.542 1.00 0.00 H new ATOM 0 HA2 GLY A 60 103.597 -10.654 -0.372 1.00 0.00 H new ATOM 0 HA3 GLY A 60 102.127 -10.056 -1.116 1.00 0.00 H new ATOM 1051 N ASP A 61 102.391 -11.932 -3.190 1.00 0.00 N ATOM 1052 CA ASP A 61 102.113 -13.188 -3.878 1.00 0.00 C ATOM 1053 C ASP A 61 103.407 -13.945 -4.155 1.00 0.00 C ATOM 1054 O ASP A 61 103.440 -15.175 -4.110 1.00 0.00 O ATOM 1055 CB ASP A 61 101.388 -12.911 -5.197 1.00 0.00 C ATOM 1056 CG ASP A 61 99.889 -12.778 -4.950 1.00 0.00 C ATOM 1057 OD1 ASP A 61 99.479 -12.953 -3.815 1.00 0.00 O ATOM 1058 OD2 ASP A 61 99.175 -12.501 -5.900 1.00 0.00 O ATOM 0 H ASP A 61 102.222 -11.095 -3.748 1.00 0.00 H new ATOM 0 HA ASP A 61 101.479 -13.800 -3.237 1.00 0.00 H new ATOM 0 HB2 ASP A 61 101.773 -11.997 -5.648 1.00 0.00 H new ATOM 0 HB3 ASP A 61 101.578 -13.719 -5.903 1.00 0.00 H new ATOM 1063 N CYS A 62 104.472 -13.203 -4.443 1.00 0.00 N ATOM 1064 CA CYS A 62 105.762 -13.816 -4.734 1.00 0.00 C ATOM 1065 C CYS A 62 106.295 -14.550 -3.508 1.00 0.00 C ATOM 1066 O CYS A 62 106.904 -15.614 -3.625 1.00 0.00 O ATOM 1067 CB CYS A 62 106.765 -12.743 -5.165 1.00 0.00 C ATOM 1068 SG CYS A 62 106.314 -12.119 -6.802 1.00 0.00 S ATOM 0 H CYS A 62 104.467 -12.184 -4.481 1.00 0.00 H new ATOM 0 HA CYS A 62 105.628 -14.534 -5.543 1.00 0.00 H new ATOM 0 HB2 CYS A 62 106.774 -11.927 -4.443 1.00 0.00 H new ATOM 0 HB3 CYS A 62 107.772 -13.159 -5.187 1.00 0.00 H new ATOM 0 HG CYS A 62 105.310 -11.300 -6.693 1.00 0.00 H new ATOM 1074 N PHE A 63 106.063 -13.974 -2.333 1.00 0.00 N ATOM 1075 CA PHE A 63 106.536 -14.577 -1.092 1.00 0.00 C ATOM 1076 C PHE A 63 105.577 -15.668 -0.625 1.00 0.00 C ATOM 1077 O PHE A 63 106.003 -16.734 -0.181 1.00 0.00 O ATOM 1078 CB PHE A 63 106.661 -13.506 -0.006 1.00 0.00 C ATOM 1079 CG PHE A 63 108.064 -12.950 -0.005 1.00 0.00 C ATOM 1080 CD1 PHE A 63 108.500 -12.148 -1.068 1.00 0.00 C ATOM 1081 CD2 PHE A 63 108.930 -13.234 1.057 1.00 0.00 C ATOM 1082 CE1 PHE A 63 109.801 -11.632 -1.068 1.00 0.00 C ATOM 1083 CE2 PHE A 63 110.232 -12.718 1.057 1.00 0.00 C ATOM 1084 CZ PHE A 63 110.667 -11.917 -0.005 1.00 0.00 C ATOM 0 H PHE A 63 105.555 -13.098 -2.214 1.00 0.00 H new ATOM 0 HA PHE A 63 107.513 -15.024 -1.277 1.00 0.00 H new ATOM 0 HB2 PHE A 63 105.942 -12.707 -0.185 1.00 0.00 H new ATOM 0 HB3 PHE A 63 106.427 -13.933 0.969 1.00 0.00 H new ATOM 0 HD1 PHE A 63 107.832 -11.928 -1.888 1.00 0.00 H new ATOM 0 HD2 PHE A 63 108.594 -13.851 1.877 1.00 0.00 H new ATOM 0 HE1 PHE A 63 110.137 -11.014 -1.888 1.00 0.00 H new ATOM 0 HE2 PHE A 63 110.900 -12.938 1.876 1.00 0.00 H new ATOM 0 HZ PHE A 63 111.671 -11.519 -0.005 1.00 0.00 H new ATOM 1094 N GLN A 64 104.282 -15.394 -0.730 1.00 0.00 N ATOM 1095 CA GLN A 64 103.271 -16.362 -0.321 1.00 0.00 C ATOM 1096 C GLN A 64 103.327 -17.603 -1.207 1.00 0.00 C ATOM 1097 O GLN A 64 103.186 -18.727 -0.726 1.00 0.00 O ATOM 1098 CB GLN A 64 101.879 -15.733 -0.408 1.00 0.00 C ATOM 1099 CG GLN A 64 100.827 -16.758 0.020 1.00 0.00 C ATOM 1100 CD GLN A 64 99.462 -16.087 0.139 1.00 0.00 C ATOM 1101 OE1 GLN A 64 99.379 -14.862 0.239 1.00 0.00 O ATOM 1102 NE2 GLN A 64 98.383 -16.819 0.132 1.00 0.00 N ATOM 0 H GLN A 64 103.909 -14.516 -1.092 1.00 0.00 H new ATOM 0 HA GLN A 64 103.473 -16.656 0.709 1.00 0.00 H new ATOM 0 HB2 GLN A 64 101.826 -14.853 0.232 1.00 0.00 H new ATOM 0 HB3 GLN A 64 101.683 -15.399 -1.427 1.00 0.00 H new ATOM 0 HG2 GLN A 64 100.781 -17.569 -0.707 1.00 0.00 H new ATOM 0 HG3 GLN A 64 101.108 -17.202 0.975 1.00 0.00 H new ATOM 0 HE21 GLN A 64 98.455 -17.833 0.049 1.00 0.00 H new ATOM 0 HE22 GLN A 64 97.467 -16.378 0.209 1.00 0.00 H new ATOM 1111 N ASP A 65 103.533 -17.389 -2.502 1.00 0.00 N ATOM 1112 CA ASP A 65 103.608 -18.498 -3.447 1.00 0.00 C ATOM 1113 C ASP A 65 104.777 -19.417 -3.103 1.00 0.00 C ATOM 1114 O ASP A 65 104.604 -20.626 -2.949 1.00 0.00 O ATOM 1115 CB ASP A 65 103.779 -17.962 -4.869 1.00 0.00 C ATOM 1116 CG ASP A 65 103.904 -19.122 -5.851 1.00 0.00 C ATOM 1117 OD1 ASP A 65 103.975 -18.859 -7.041 1.00 0.00 O ATOM 1118 OD2 ASP A 65 103.927 -20.255 -5.400 1.00 0.00 O ATOM 0 H ASP A 65 103.650 -16.466 -2.919 1.00 0.00 H new ATOM 0 HA ASP A 65 102.681 -19.068 -3.383 1.00 0.00 H new ATOM 0 HB2 ASP A 65 102.926 -17.338 -5.137 1.00 0.00 H new ATOM 0 HB3 ASP A 65 104.666 -17.330 -4.924 1.00 0.00 H new ATOM 1123 N TYR A 66 105.966 -18.834 -2.985 1.00 0.00 N ATOM 1124 CA TYR A 66 107.157 -19.611 -2.664 1.00 0.00 C ATOM 1125 C TYR A 66 107.069 -20.166 -1.245 1.00 0.00 C ATOM 1126 O TYR A 66 107.479 -21.297 -0.984 1.00 0.00 O ATOM 1127 CB TYR A 66 108.404 -18.734 -2.794 1.00 0.00 C ATOM 1128 CG TYR A 66 109.007 -18.917 -4.166 1.00 0.00 C ATOM 1129 CD1 TYR A 66 109.737 -20.075 -4.461 1.00 0.00 C ATOM 1130 CD2 TYR A 66 108.837 -17.928 -5.143 1.00 0.00 C ATOM 1131 CE1 TYR A 66 110.296 -20.244 -5.733 1.00 0.00 C ATOM 1132 CE2 TYR A 66 109.396 -18.098 -6.415 1.00 0.00 C ATOM 1133 CZ TYR A 66 110.126 -19.256 -6.710 1.00 0.00 C ATOM 1134 OH TYR A 66 110.677 -19.423 -7.964 1.00 0.00 O ATOM 0 H TYR A 66 106.129 -17.834 -3.106 1.00 0.00 H new ATOM 0 HA TYR A 66 107.224 -20.444 -3.364 1.00 0.00 H new ATOM 0 HB2 TYR A 66 108.144 -17.687 -2.636 1.00 0.00 H new ATOM 0 HB3 TYR A 66 109.131 -19.001 -2.027 1.00 0.00 H new ATOM 0 HD1 TYR A 66 109.869 -20.837 -3.707 1.00 0.00 H new ATOM 0 HD2 TYR A 66 108.275 -17.034 -4.915 1.00 0.00 H new ATOM 0 HE1 TYR A 66 110.859 -21.137 -5.961 1.00 0.00 H new ATOM 0 HE2 TYR A 66 109.264 -17.336 -7.169 1.00 0.00 H new ATOM 0 HH TYR A 66 110.464 -18.645 -8.521 1.00 0.00 H new ATOM 1144 N TYR A 67 106.531 -19.362 -0.333 1.00 0.00 N ATOM 1145 CA TYR A 67 106.401 -19.782 1.058 1.00 0.00 C ATOM 1146 C TYR A 67 105.392 -20.918 1.182 1.00 0.00 C ATOM 1147 O TYR A 67 105.596 -21.862 1.946 1.00 0.00 O ATOM 1148 CB TYR A 67 105.949 -18.600 1.918 1.00 0.00 C ATOM 1149 CG TYR A 67 105.874 -19.030 3.364 1.00 0.00 C ATOM 1150 CD1 TYR A 67 104.644 -19.027 4.032 1.00 0.00 C ATOM 1151 CD2 TYR A 67 107.035 -19.431 4.036 1.00 0.00 C ATOM 1152 CE1 TYR A 67 104.575 -19.425 5.373 1.00 0.00 C ATOM 1153 CE2 TYR A 67 106.965 -19.830 5.377 1.00 0.00 C ATOM 1154 CZ TYR A 67 105.735 -19.826 6.045 1.00 0.00 C ATOM 1155 OH TYR A 67 105.667 -20.220 7.366 1.00 0.00 O ATOM 0 H TYR A 67 106.181 -18.424 -0.529 1.00 0.00 H new ATOM 0 HA TYR A 67 107.372 -20.135 1.405 1.00 0.00 H new ATOM 0 HB2 TYR A 67 106.647 -17.770 1.810 1.00 0.00 H new ATOM 0 HB3 TYR A 67 104.975 -18.243 1.582 1.00 0.00 H new ATOM 0 HD1 TYR A 67 103.748 -18.718 3.514 1.00 0.00 H new ATOM 0 HD2 TYR A 67 107.984 -19.433 3.521 1.00 0.00 H new ATOM 0 HE1 TYR A 67 103.626 -19.422 5.889 1.00 0.00 H new ATOM 0 HE2 TYR A 67 107.860 -20.141 5.895 1.00 0.00 H new ATOM 0 HH TYR A 67 106.562 -20.468 7.680 1.00 0.00 H new ATOM 1165 N ASN A 68 104.302 -20.822 0.426 1.00 0.00 N ATOM 1166 CA ASN A 68 103.254 -21.834 0.482 1.00 0.00 C ATOM 1167 C ASN A 68 103.793 -23.190 0.038 1.00 0.00 C ATOM 1168 O ASN A 68 103.463 -24.222 0.622 1.00 0.00 O ATOM 1169 CB ASN A 68 102.087 -21.427 -0.420 1.00 0.00 C ATOM 1170 CG ASN A 68 101.250 -20.351 0.264 1.00 0.00 C ATOM 1171 OD1 ASN A 68 100.262 -19.879 -0.299 1.00 0.00 O ATOM 1172 ND2 ASN A 68 101.589 -19.932 1.452 1.00 0.00 N ATOM 0 H ASN A 68 104.123 -20.060 -0.228 1.00 0.00 H new ATOM 0 HA ASN A 68 102.907 -21.914 1.512 1.00 0.00 H new ATOM 0 HB2 ASN A 68 102.465 -21.055 -1.372 1.00 0.00 H new ATOM 0 HB3 ASN A 68 101.467 -22.296 -0.641 1.00 0.00 H new ATOM 0 HD21 ASN A 68 101.035 -19.212 1.916 1.00 0.00 H new ATOM 0 HD22 ASN A 68 102.408 -20.324 1.917 1.00 0.00 H new ATOM 1179 N THR A 69 104.625 -23.179 -0.999 1.00 0.00 N ATOM 1180 CA THR A 69 105.184 -24.418 -1.529 1.00 0.00 C ATOM 1181 C THR A 69 105.800 -25.251 -0.410 1.00 0.00 C ATOM 1182 O THR A 69 105.967 -26.463 -0.545 1.00 0.00 O ATOM 1183 CB THR A 69 106.252 -24.101 -2.580 1.00 0.00 C ATOM 1184 OG1 THR A 69 107.291 -23.339 -1.980 1.00 0.00 O ATOM 1185 CG2 THR A 69 105.625 -23.302 -3.723 1.00 0.00 C ATOM 0 H THR A 69 104.925 -22.334 -1.485 1.00 0.00 H new ATOM 0 HA THR A 69 104.379 -24.990 -1.990 1.00 0.00 H new ATOM 0 HB THR A 69 106.663 -25.031 -2.974 1.00 0.00 H new ATOM 0 HG1 THR A 69 106.930 -22.483 -1.667 1.00 0.00 H new ATOM 0 HG21 THR A 69 106.386 -23.077 -4.470 1.00 0.00 H new ATOM 0 HG22 THR A 69 104.828 -23.887 -4.182 1.00 0.00 H new ATOM 0 HG23 THR A 69 105.213 -22.371 -3.333 1.00 0.00 H new ATOM 1193 N PHE A 70 106.136 -24.593 0.695 1.00 0.00 N ATOM 1194 CA PHE A 70 106.735 -25.283 1.831 1.00 0.00 C ATOM 1195 C PHE A 70 105.654 -25.787 2.782 1.00 0.00 C ATOM 1196 O PHE A 70 105.940 -26.155 3.922 1.00 0.00 O ATOM 1197 CB PHE A 70 107.676 -24.336 2.580 1.00 0.00 C ATOM 1198 CG PHE A 70 108.936 -24.136 1.772 1.00 0.00 C ATOM 1199 CD1 PHE A 70 109.109 -22.965 1.025 1.00 0.00 C ATOM 1200 CD2 PHE A 70 109.931 -25.120 1.773 1.00 0.00 C ATOM 1201 CE1 PHE A 70 110.277 -22.779 0.276 1.00 0.00 C ATOM 1202 CE2 PHE A 70 111.100 -24.934 1.025 1.00 0.00 C ATOM 1203 CZ PHE A 70 111.273 -23.764 0.276 1.00 0.00 C ATOM 0 H PHE A 70 106.005 -23.590 0.827 1.00 0.00 H new ATOM 0 HA PHE A 70 107.301 -26.136 1.457 1.00 0.00 H new ATOM 0 HB2 PHE A 70 107.185 -23.378 2.751 1.00 0.00 H new ATOM 0 HB3 PHE A 70 107.921 -24.748 3.559 1.00 0.00 H new ATOM 0 HD1 PHE A 70 108.342 -22.205 1.026 1.00 0.00 H new ATOM 0 HD2 PHE A 70 109.797 -26.023 2.351 1.00 0.00 H new ATOM 0 HE1 PHE A 70 110.410 -21.876 -0.302 1.00 0.00 H new ATOM 0 HE2 PHE A 70 111.868 -25.693 1.026 1.00 0.00 H new ATOM 0 HZ PHE A 70 112.174 -23.621 -0.302 1.00 0.00 H new ATOM 1213 N GLY A 71 104.414 -25.802 2.306 1.00 0.00 N ATOM 1214 CA GLY A 71 103.297 -26.260 3.124 1.00 0.00 C ATOM 1215 C GLY A 71 103.427 -25.751 4.556 1.00 0.00 C ATOM 1216 O GLY A 71 103.484 -26.537 5.503 1.00 0.00 O ATOM 0 H GLY A 71 104.158 -25.505 1.365 1.00 0.00 H new ATOM 0 HA2 GLY A 71 102.358 -25.911 2.693 1.00 0.00 H new ATOM 0 HA3 GLY A 71 103.263 -27.349 3.123 1.00 0.00 H new ATOM 1220 N PRO A 72 103.474 -24.458 4.723 1.00 0.00 N ATOM 1221 CA PRO A 72 103.602 -23.821 6.066 1.00 0.00 C ATOM 1222 C PRO A 72 102.276 -23.803 6.822 1.00 0.00 C ATOM 1223 O PRO A 72 101.259 -23.344 6.300 1.00 0.00 O ATOM 1224 CB PRO A 72 104.071 -22.401 5.750 1.00 0.00 C ATOM 1225 CG PRO A 72 103.574 -22.114 4.371 1.00 0.00 C ATOM 1226 CD PRO A 72 103.409 -23.460 3.644 1.00 0.00 C ATOM 0 HA PRO A 72 104.288 -24.366 6.714 1.00 0.00 H new ATOM 0 HB2 PRO A 72 103.670 -21.686 6.468 1.00 0.00 H new ATOM 0 HB3 PRO A 72 105.157 -22.326 5.799 1.00 0.00 H new ATOM 0 HG2 PRO A 72 102.624 -21.581 4.410 1.00 0.00 H new ATOM 0 HG3 PRO A 72 104.276 -21.474 3.837 1.00 0.00 H new ATOM 0 HD2 PRO A 72 102.460 -23.511 3.110 1.00 0.00 H new ATOM 0 HD3 PRO A 72 104.198 -23.616 2.908 1.00 0.00 H new ATOM 1234 N GLU A 73 102.295 -24.303 8.053 1.00 0.00 N ATOM 1235 CA GLU A 73 101.090 -24.335 8.873 1.00 0.00 C ATOM 1236 C GLU A 73 100.948 -23.042 9.668 1.00 0.00 C ATOM 1237 O GLU A 73 99.861 -22.709 10.143 1.00 0.00 O ATOM 1238 CB GLU A 73 101.144 -25.524 9.834 1.00 0.00 C ATOM 1239 CG GLU A 73 100.122 -26.578 9.402 1.00 0.00 C ATOM 1240 CD GLU A 73 98.707 -26.046 9.604 1.00 0.00 C ATOM 1241 OE1 GLU A 73 98.572 -24.991 10.201 1.00 0.00 O ATOM 1242 OE2 GLU A 73 97.780 -26.700 9.158 1.00 0.00 O ATOM 0 H GLU A 73 103.125 -24.689 8.502 1.00 0.00 H new ATOM 0 HA GLU A 73 100.228 -24.439 8.214 1.00 0.00 H new ATOM 0 HB2 GLU A 73 102.145 -25.955 9.840 1.00 0.00 H new ATOM 0 HB3 GLU A 73 100.933 -25.193 10.851 1.00 0.00 H new ATOM 0 HG2 GLU A 73 100.276 -26.838 8.355 1.00 0.00 H new ATOM 0 HG3 GLU A 73 100.262 -27.491 9.981 1.00 0.00 H new ATOM 1249 N LYS A 74 102.052 -22.315 9.809 1.00 0.00 N ATOM 1250 CA LYS A 74 102.043 -21.069 10.566 1.00 0.00 C ATOM 1251 C LYS A 74 101.329 -19.972 9.782 1.00 0.00 C ATOM 1252 O LYS A 74 100.469 -19.273 10.317 1.00 0.00 O ATOM 1253 CB LYS A 74 103.477 -20.631 10.869 1.00 0.00 C ATOM 1254 CG LYS A 74 104.349 -21.866 11.109 1.00 0.00 C ATOM 1255 CD LYS A 74 103.764 -22.687 12.261 1.00 0.00 C ATOM 1256 CE LYS A 74 104.717 -23.833 12.606 1.00 0.00 C ATOM 1257 NZ LYS A 74 104.171 -24.602 13.759 1.00 0.00 N ATOM 0 H LYS A 74 102.958 -22.565 9.412 1.00 0.00 H new ATOM 0 HA LYS A 74 101.510 -21.238 11.502 1.00 0.00 H new ATOM 0 HB2 LYS A 74 103.874 -20.049 10.037 1.00 0.00 H new ATOM 0 HB3 LYS A 74 103.493 -19.985 11.747 1.00 0.00 H new ATOM 0 HG2 LYS A 74 104.397 -22.472 10.204 1.00 0.00 H new ATOM 0 HG3 LYS A 74 105.369 -21.564 11.345 1.00 0.00 H new ATOM 0 HD2 LYS A 74 103.611 -22.052 13.133 1.00 0.00 H new ATOM 0 HD3 LYS A 74 102.788 -23.083 11.980 1.00 0.00 H new ATOM 0 HE2 LYS A 74 104.842 -24.489 11.744 1.00 0.00 H new ATOM 0 HE3 LYS A 74 105.703 -23.439 12.852 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 104.818 -25.381 13.994 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 104.074 -23.973 14.581 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 103.239 -24.990 13.508 1.00 0.00 H new ATOM 1271 N VAL A 75 101.692 -19.827 8.512 1.00 0.00 N ATOM 1272 CA VAL A 75 101.085 -18.806 7.665 1.00 0.00 C ATOM 1273 C VAL A 75 100.633 -17.615 8.505 1.00 0.00 C ATOM 1274 O VAL A 75 99.450 -17.476 8.819 1.00 0.00 O ATOM 1275 CB VAL A 75 99.885 -19.392 6.919 1.00 0.00 C ATOM 1276 CG1 VAL A 75 99.188 -18.286 6.127 1.00 0.00 C ATOM 1277 CG2 VAL A 75 100.367 -20.481 5.959 1.00 0.00 C ATOM 0 H VAL A 75 102.398 -20.399 8.049 1.00 0.00 H new ATOM 0 HA VAL A 75 101.829 -18.467 6.944 1.00 0.00 H new ATOM 0 HB VAL A 75 99.185 -19.822 7.635 1.00 0.00 H new ATOM 0 HG11 VAL A 75 98.333 -18.703 5.595 1.00 0.00 H new ATOM 0 HG12 VAL A 75 98.846 -17.509 6.811 1.00 0.00 H new ATOM 0 HG13 VAL A 75 99.887 -17.856 5.410 1.00 0.00 H new ATOM 0 HG21 VAL A 75 99.513 -20.900 5.426 1.00 0.00 H new ATOM 0 HG22 VAL A 75 101.066 -20.051 5.242 1.00 0.00 H new ATOM 0 HG23 VAL A 75 100.865 -21.269 6.524 1.00 0.00 H new ATOM 1287 N PRO A 76 101.552 -16.763 8.867 1.00 0.00 N ATOM 1288 CA PRO A 76 101.255 -15.556 9.691 1.00 0.00 C ATOM 1289 C PRO A 76 100.173 -14.682 9.062 1.00 0.00 C ATOM 1290 O PRO A 76 100.299 -14.250 7.915 1.00 0.00 O ATOM 1291 CB PRO A 76 102.593 -14.815 9.746 1.00 0.00 C ATOM 1292 CG PRO A 76 103.632 -15.849 9.465 1.00 0.00 C ATOM 1293 CD PRO A 76 102.979 -16.859 8.528 1.00 0.00 C ATOM 0 HA PRO A 76 100.868 -15.818 10.676 1.00 0.00 H new ATOM 0 HB2 PRO A 76 102.628 -14.013 9.009 1.00 0.00 H new ATOM 0 HB3 PRO A 76 102.749 -14.357 10.723 1.00 0.00 H new ATOM 0 HG2 PRO A 76 104.512 -15.402 9.004 1.00 0.00 H new ATOM 0 HG3 PRO A 76 103.964 -16.329 10.386 1.00 0.00 H new ATOM 0 HD2 PRO A 76 103.161 -16.613 7.482 1.00 0.00 H new ATOM 0 HD3 PRO A 76 103.364 -17.866 8.691 1.00 0.00 H new ATOM 1301 N VAL A 77 99.112 -14.425 9.819 1.00 0.00 N ATOM 1302 CA VAL A 77 98.010 -13.610 9.321 1.00 0.00 C ATOM 1303 C VAL A 77 98.344 -12.126 9.439 1.00 0.00 C ATOM 1304 O VAL A 77 97.708 -11.285 8.804 1.00 0.00 O ATOM 1305 CB VAL A 77 96.737 -13.912 10.113 1.00 0.00 C ATOM 1306 CG1 VAL A 77 95.593 -13.039 9.597 1.00 0.00 C ATOM 1307 CG2 VAL A 77 96.368 -15.388 9.939 1.00 0.00 C ATOM 0 H VAL A 77 98.992 -14.766 10.773 1.00 0.00 H new ATOM 0 HA VAL A 77 97.850 -13.853 8.270 1.00 0.00 H new ATOM 0 HB VAL A 77 96.908 -13.699 11.168 1.00 0.00 H new ATOM 0 HG11 VAL A 77 94.687 -13.255 10.162 1.00 0.00 H new ATOM 0 HG12 VAL A 77 95.854 -11.988 9.719 1.00 0.00 H new ATOM 0 HG13 VAL A 77 95.421 -13.251 8.542 1.00 0.00 H new ATOM 0 HG21 VAL A 77 95.461 -15.605 10.503 1.00 0.00 H new ATOM 0 HG22 VAL A 77 96.198 -15.599 8.883 1.00 0.00 H new ATOM 0 HG23 VAL A 77 97.182 -16.012 10.307 1.00 0.00 H new ATOM 1317 N THR A 78 99.345 -11.813 10.255 1.00 0.00 N ATOM 1318 CA THR A 78 99.757 -10.427 10.446 1.00 0.00 C ATOM 1319 C THR A 78 99.861 -9.710 9.104 1.00 0.00 C ATOM 1320 O THR A 78 99.627 -8.505 9.014 1.00 0.00 O ATOM 1321 CB THR A 78 101.110 -10.378 11.159 1.00 0.00 C ATOM 1322 OG1 THR A 78 102.079 -11.067 10.381 1.00 0.00 O ATOM 1323 CG2 THR A 78 100.990 -11.042 12.532 1.00 0.00 C ATOM 0 H THR A 78 99.882 -12.494 10.791 1.00 0.00 H new ATOM 0 HA THR A 78 99.006 -9.925 11.057 1.00 0.00 H new ATOM 0 HB THR A 78 101.416 -9.340 11.286 1.00 0.00 H new ATOM 0 HG1 THR A 78 102.947 -11.035 10.836 1.00 0.00 H new ATOM 0 HG21 THR A 78 101.954 -11.006 13.039 1.00 0.00 H new ATOM 0 HG22 THR A 78 100.247 -10.513 13.128 1.00 0.00 H new ATOM 0 HG23 THR A 78 100.683 -12.081 12.408 1.00 0.00 H new ATOM 1331 N ALA A 79 100.214 -10.458 8.064 1.00 0.00 N ATOM 1332 CA ALA A 79 100.340 -9.885 6.729 1.00 0.00 C ATOM 1333 C ALA A 79 99.035 -9.216 6.308 1.00 0.00 C ATOM 1334 O ALA A 79 99.040 -8.248 5.548 1.00 0.00 O ATOM 1335 CB ALA A 79 100.705 -10.976 5.723 1.00 0.00 C ATOM 0 H ALA A 79 100.417 -11.456 8.119 1.00 0.00 H new ATOM 0 HA ALA A 79 101.130 -9.134 6.750 1.00 0.00 H new ATOM 0 HB1 ALA A 79 100.797 -10.538 4.729 1.00 0.00 H new ATOM 0 HB2 ALA A 79 101.653 -11.431 6.008 1.00 0.00 H new ATOM 0 HB3 ALA A 79 99.925 -11.738 5.713 1.00 0.00 H new ATOM 1341 N PHE A 80 97.920 -9.740 6.805 1.00 0.00 N ATOM 1342 CA PHE A 80 96.612 -9.191 6.467 1.00 0.00 C ATOM 1343 C PHE A 80 96.434 -7.810 7.090 1.00 0.00 C ATOM 1344 O PHE A 80 95.809 -6.929 6.500 1.00 0.00 O ATOM 1345 CB PHE A 80 95.508 -10.125 6.965 1.00 0.00 C ATOM 1346 CG PHE A 80 95.388 -11.306 6.032 1.00 0.00 C ATOM 1347 CD1 PHE A 80 94.302 -11.396 5.154 1.00 0.00 C ATOM 1348 CD2 PHE A 80 96.363 -12.311 6.045 1.00 0.00 C ATOM 1349 CE1 PHE A 80 94.191 -12.491 4.289 1.00 0.00 C ATOM 1350 CE2 PHE A 80 96.251 -13.406 5.181 1.00 0.00 C ATOM 1351 CZ PHE A 80 95.166 -13.496 4.302 1.00 0.00 C ATOM 0 H PHE A 80 97.895 -10.539 7.439 1.00 0.00 H new ATOM 0 HA PHE A 80 96.546 -9.099 5.383 1.00 0.00 H new ATOM 0 HB2 PHE A 80 95.735 -10.467 7.975 1.00 0.00 H new ATOM 0 HB3 PHE A 80 94.560 -9.590 7.015 1.00 0.00 H new ATOM 0 HD1 PHE A 80 93.550 -10.621 5.144 1.00 0.00 H new ATOM 0 HD2 PHE A 80 97.202 -12.241 6.722 1.00 0.00 H new ATOM 0 HE1 PHE A 80 93.353 -12.561 3.611 1.00 0.00 H new ATOM 0 HE2 PHE A 80 97.002 -14.182 5.193 1.00 0.00 H new ATOM 0 HZ PHE A 80 95.081 -14.340 3.634 1.00 0.00 H new ATOM 1361 N SER A 81 96.984 -7.630 8.286 1.00 0.00 N ATOM 1362 CA SER A 81 96.885 -6.350 8.978 1.00 0.00 C ATOM 1363 C SER A 81 97.603 -5.259 8.191 1.00 0.00 C ATOM 1364 O SER A 81 97.119 -4.131 8.090 1.00 0.00 O ATOM 1365 CB SER A 81 97.498 -6.462 10.374 1.00 0.00 C ATOM 1366 OG SER A 81 96.873 -7.529 11.076 1.00 0.00 O ATOM 0 H SER A 81 97.500 -8.349 8.794 1.00 0.00 H new ATOM 0 HA SER A 81 95.831 -6.086 9.065 1.00 0.00 H new ATOM 0 HB2 SER A 81 98.571 -6.639 10.300 1.00 0.00 H new ATOM 0 HB3 SER A 81 97.366 -5.527 10.918 1.00 0.00 H new ATOM 0 HG SER A 81 97.264 -7.605 11.971 1.00 0.00 H new ATOM 1372 N TYR A 82 98.761 -5.601 7.636 1.00 0.00 N ATOM 1373 CA TYR A 82 99.538 -4.642 6.858 1.00 0.00 C ATOM 1374 C TYR A 82 98.720 -4.120 5.681 1.00 0.00 C ATOM 1375 O TYR A 82 98.639 -2.912 5.456 1.00 0.00 O ATOM 1376 CB TYR A 82 100.816 -5.303 6.340 1.00 0.00 C ATOM 1377 CG TYR A 82 101.900 -5.193 7.385 1.00 0.00 C ATOM 1378 CD1 TYR A 82 101.938 -6.097 8.452 1.00 0.00 C ATOM 1379 CD2 TYR A 82 102.866 -4.184 7.288 1.00 0.00 C ATOM 1380 CE1 TYR A 82 102.943 -5.995 9.423 1.00 0.00 C ATOM 1381 CE2 TYR A 82 103.871 -4.081 8.258 1.00 0.00 C ATOM 1382 CZ TYR A 82 103.909 -4.986 9.326 1.00 0.00 C ATOM 1383 OH TYR A 82 104.899 -4.885 10.281 1.00 0.00 O ATOM 0 H TYR A 82 99.180 -6.528 7.709 1.00 0.00 H new ATOM 0 HA TYR A 82 99.799 -3.804 7.505 1.00 0.00 H new ATOM 0 HB2 TYR A 82 100.627 -6.351 6.106 1.00 0.00 H new ATOM 0 HB3 TYR A 82 101.137 -4.823 5.416 1.00 0.00 H new ATOM 0 HD1 TYR A 82 101.192 -6.874 8.527 1.00 0.00 H new ATOM 0 HD2 TYR A 82 102.836 -3.485 6.465 1.00 0.00 H new ATOM 0 HE1 TYR A 82 102.973 -6.694 10.246 1.00 0.00 H new ATOM 0 HE2 TYR A 82 104.617 -3.304 8.182 1.00 0.00 H new ATOM 0 HH TYR A 82 105.774 -4.849 9.842 1.00 0.00 H new ATOM 1393 N TRP A 83 98.114 -5.038 4.935 1.00 0.00 N ATOM 1394 CA TRP A 83 97.325 -4.659 3.768 1.00 0.00 C ATOM 1395 C TRP A 83 96.241 -3.659 4.156 1.00 0.00 C ATOM 1396 O TRP A 83 96.093 -2.613 3.524 1.00 0.00 O ATOM 1397 CB TRP A 83 96.678 -5.900 3.150 1.00 0.00 C ATOM 1398 CG TRP A 83 95.679 -5.482 2.119 1.00 0.00 C ATOM 1399 CD1 TRP A 83 94.453 -4.976 2.386 1.00 0.00 C ATOM 1400 CD2 TRP A 83 95.799 -5.521 0.668 1.00 0.00 C ATOM 1401 NE1 TRP A 83 93.812 -4.704 1.191 1.00 0.00 N ATOM 1402 CE2 TRP A 83 94.600 -5.023 0.103 1.00 0.00 C ATOM 1403 CE3 TRP A 83 96.820 -5.937 -0.205 1.00 0.00 C ATOM 1404 CZ2 TRP A 83 94.423 -4.941 -1.278 1.00 0.00 C ATOM 1405 CZ3 TRP A 83 96.644 -5.856 -1.596 1.00 0.00 C ATOM 1406 CH2 TRP A 83 95.447 -5.359 -2.131 1.00 0.00 C ATOM 0 H TRP A 83 98.153 -6.041 5.115 1.00 0.00 H new ATOM 0 HA TRP A 83 97.989 -4.194 3.039 1.00 0.00 H new ATOM 0 HB2 TRP A 83 97.441 -6.533 2.697 1.00 0.00 H new ATOM 0 HB3 TRP A 83 96.191 -6.493 3.924 1.00 0.00 H new ATOM 0 HD1 TRP A 83 94.042 -4.811 3.371 1.00 0.00 H new ATOM 0 HE1 TRP A 83 92.872 -4.315 1.122 1.00 0.00 H new ATOM 0 HE3 TRP A 83 97.746 -6.321 0.197 1.00 0.00 H new ATOM 0 HZ2 TRP A 83 93.500 -4.557 -1.685 1.00 0.00 H new ATOM 0 HZ3 TRP A 83 97.435 -6.178 -2.257 1.00 0.00 H new ATOM 0 HH2 TRP A 83 95.317 -5.299 -3.201 1.00 0.00 H new ATOM 1417 N ASN A 84 95.486 -3.986 5.200 1.00 0.00 N ATOM 1418 CA ASN A 84 94.395 -3.125 5.641 1.00 0.00 C ATOM 1419 C ASN A 84 94.935 -1.785 6.132 1.00 0.00 C ATOM 1420 O ASN A 84 94.379 -0.730 5.825 1.00 0.00 O ATOM 1421 CB ASN A 84 93.615 -3.807 6.766 1.00 0.00 C ATOM 1422 CG ASN A 84 92.687 -4.870 6.188 1.00 0.00 C ATOM 1423 OD1 ASN A 84 92.351 -4.824 5.004 1.00 0.00 O ATOM 1424 ND2 ASN A 84 92.250 -5.830 6.957 1.00 0.00 N ATOM 0 H ASN A 84 95.608 -4.835 5.753 1.00 0.00 H new ATOM 0 HA ASN A 84 93.731 -2.948 4.795 1.00 0.00 H new ATOM 0 HB2 ASN A 84 94.307 -4.263 7.475 1.00 0.00 H new ATOM 0 HB3 ASN A 84 93.035 -3.067 7.318 1.00 0.00 H new ATOM 0 HD21 ASN A 84 91.629 -6.544 6.578 1.00 0.00 H new ATOM 0 HD22 ASN A 84 92.530 -5.866 7.937 1.00 0.00 H new ATOM 1431 N LEU A 85 96.020 -1.835 6.897 1.00 0.00 N ATOM 1432 CA LEU A 85 96.606 -0.621 7.455 1.00 0.00 C ATOM 1433 C LEU A 85 97.179 0.256 6.347 1.00 0.00 C ATOM 1434 O LEU A 85 96.672 1.345 6.079 1.00 0.00 O ATOM 1435 CB LEU A 85 97.713 -0.983 8.446 1.00 0.00 C ATOM 1436 CG LEU A 85 98.334 0.296 9.009 1.00 0.00 C ATOM 1437 CD1 LEU A 85 97.268 1.095 9.760 1.00 0.00 C ATOM 1438 CD2 LEU A 85 99.468 -0.068 9.970 1.00 0.00 C ATOM 0 H LEU A 85 96.509 -2.696 7.144 1.00 0.00 H new ATOM 0 HA LEU A 85 95.823 -0.067 7.972 1.00 0.00 H new ATOM 0 HB2 LEU A 85 97.307 -1.589 9.256 1.00 0.00 H new ATOM 0 HB3 LEU A 85 98.477 -1.583 7.951 1.00 0.00 H new ATOM 0 HG LEU A 85 98.729 0.898 8.190 1.00 0.00 H new ATOM 0 HD11 LEU A 85 97.712 2.006 10.161 1.00 0.00 H new ATOM 0 HD12 LEU A 85 96.460 1.355 9.077 1.00 0.00 H new ATOM 0 HD13 LEU A 85 96.872 0.494 10.578 1.00 0.00 H new ATOM 0 HD21 LEU A 85 99.911 0.843 10.372 1.00 0.00 H new ATOM 0 HD22 LEU A 85 99.073 -0.670 10.788 1.00 0.00 H new ATOM 0 HD23 LEU A 85 100.229 -0.637 9.436 1.00 0.00 H new ATOM 1450 N ILE A 86 98.238 -0.227 5.707 1.00 0.00 N ATOM 1451 CA ILE A 86 98.877 0.525 4.632 1.00 0.00 C ATOM 1452 C ILE A 86 97.838 1.000 3.621 1.00 0.00 C ATOM 1453 O ILE A 86 97.963 2.085 3.051 1.00 0.00 O ATOM 1454 CB ILE A 86 99.916 -0.349 3.928 1.00 0.00 C ATOM 1455 CG1 ILE A 86 101.318 0.064 4.379 1.00 0.00 C ATOM 1456 CG2 ILE A 86 99.794 -0.168 2.414 1.00 0.00 C ATOM 1457 CD1 ILE A 86 102.319 -1.031 4.004 1.00 0.00 C ATOM 0 H ILE A 86 98.670 -1.128 5.911 1.00 0.00 H new ATOM 0 HA ILE A 86 99.370 1.395 5.065 1.00 0.00 H new ATOM 0 HB ILE A 86 99.744 -1.395 4.184 1.00 0.00 H new ATOM 0 HG12 ILE A 86 101.600 1.006 3.908 1.00 0.00 H new ATOM 0 HG13 ILE A 86 101.331 0.230 5.456 1.00 0.00 H new ATOM 0 HG21 ILE A 86 100.535 -0.791 1.912 1.00 0.00 H new ATOM 0 HG22 ILE A 86 98.795 -0.461 2.092 1.00 0.00 H new ATOM 0 HG23 ILE A 86 99.966 0.877 2.158 1.00 0.00 H new ATOM 0 HD11 ILE A 86 103.318 -0.736 4.326 1.00 0.00 H new ATOM 0 HD12 ILE A 86 102.040 -1.963 4.495 1.00 0.00 H new ATOM 0 HD13 ILE A 86 102.313 -1.175 2.924 1.00 0.00 H new ATOM 1469 N LYS A 87 96.816 0.180 3.401 1.00 0.00 N ATOM 1470 CA LYS A 87 95.768 0.521 2.445 1.00 0.00 C ATOM 1471 C LYS A 87 95.183 1.894 2.758 1.00 0.00 C ATOM 1472 O LYS A 87 94.977 2.711 1.861 1.00 0.00 O ATOM 1473 CB LYS A 87 94.658 -0.531 2.490 1.00 0.00 C ATOM 1474 CG LYS A 87 93.337 0.101 2.048 1.00 0.00 C ATOM 1475 CD LYS A 87 92.305 -0.999 1.791 1.00 0.00 C ATOM 1476 CE LYS A 87 90.971 -0.365 1.395 1.00 0.00 C ATOM 1477 NZ LYS A 87 89.974 -1.437 1.116 1.00 0.00 N ATOM 0 H LYS A 87 96.691 -0.719 3.867 1.00 0.00 H new ATOM 0 HA LYS A 87 96.206 0.544 1.447 1.00 0.00 H new ATOM 0 HB2 LYS A 87 94.909 -1.368 1.838 1.00 0.00 H new ATOM 0 HB3 LYS A 87 94.562 -0.931 3.499 1.00 0.00 H new ATOM 0 HG2 LYS A 87 92.973 0.783 2.816 1.00 0.00 H new ATOM 0 HG3 LYS A 87 93.488 0.691 1.144 1.00 0.00 H new ATOM 0 HD2 LYS A 87 92.654 -1.662 0.999 1.00 0.00 H new ATOM 0 HD3 LYS A 87 92.178 -1.610 2.685 1.00 0.00 H new ATOM 0 HE2 LYS A 87 90.611 0.281 2.196 1.00 0.00 H new ATOM 0 HE3 LYS A 87 91.102 0.263 0.514 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 89.067 -1.006 0.847 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 90.317 -2.036 0.338 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 89.842 -2.018 1.968 1.00 0.00 H new ATOM 1491 N GLU A 88 94.919 2.142 4.037 1.00 0.00 N ATOM 1492 CA GLU A 88 94.311 3.401 4.452 1.00 0.00 C ATOM 1493 C GLU A 88 95.373 4.484 4.606 1.00 0.00 C ATOM 1494 O GLU A 88 95.064 5.675 4.606 1.00 0.00 O ATOM 1495 CB GLU A 88 93.573 3.214 5.779 1.00 0.00 C ATOM 1496 CG GLU A 88 94.510 3.561 6.937 1.00 0.00 C ATOM 1497 CD GLU A 88 94.517 5.068 7.168 1.00 0.00 C ATOM 1498 OE1 GLU A 88 93.465 5.672 7.038 1.00 0.00 O ATOM 1499 OE2 GLU A 88 95.574 5.596 7.472 1.00 0.00 O ATOM 0 H GLU A 88 95.115 1.493 4.799 1.00 0.00 H new ATOM 0 HA GLU A 88 93.602 3.710 3.684 1.00 0.00 H new ATOM 0 HB2 GLU A 88 92.689 3.851 5.809 1.00 0.00 H new ATOM 0 HB3 GLU A 88 93.227 2.185 5.873 1.00 0.00 H new ATOM 0 HG2 GLU A 88 94.188 3.047 7.843 1.00 0.00 H new ATOM 0 HG3 GLU A 88 95.519 3.214 6.716 1.00 0.00 H new ATOM 1506 N LEU A 89 96.626 4.061 4.737 1.00 0.00 N ATOM 1507 CA LEU A 89 97.725 5.004 4.922 1.00 0.00 C ATOM 1508 C LEU A 89 97.888 5.885 3.687 1.00 0.00 C ATOM 1509 O LEU A 89 98.105 7.092 3.799 1.00 0.00 O ATOM 1510 CB LEU A 89 99.026 4.244 5.185 1.00 0.00 C ATOM 1511 CG LEU A 89 99.921 5.070 6.111 1.00 0.00 C ATOM 1512 CD1 LEU A 89 100.116 6.467 5.520 1.00 0.00 C ATOM 1513 CD2 LEU A 89 99.259 5.187 7.486 1.00 0.00 C ATOM 0 H LEU A 89 96.905 3.080 4.719 1.00 0.00 H new ATOM 0 HA LEU A 89 97.496 5.638 5.779 1.00 0.00 H new ATOM 0 HB2 LEU A 89 98.809 3.277 5.639 1.00 0.00 H new ATOM 0 HB3 LEU A 89 99.541 4.047 4.245 1.00 0.00 H new ATOM 0 HG LEU A 89 100.889 4.580 6.213 1.00 0.00 H new ATOM 0 HD11 LEU A 89 100.754 7.055 6.180 1.00 0.00 H new ATOM 0 HD12 LEU A 89 100.586 6.385 4.540 1.00 0.00 H new ATOM 0 HD13 LEU A 89 99.148 6.958 5.419 1.00 0.00 H new ATOM 0 HD21 LEU A 89 99.895 5.775 8.147 1.00 0.00 H new ATOM 0 HD22 LEU A 89 98.291 5.677 7.383 1.00 0.00 H new ATOM 0 HD23 LEU A 89 99.119 4.192 7.908 1.00 0.00 H new ATOM 1525 N ILE A 90 97.781 5.273 2.512 1.00 0.00 N ATOM 1526 CA ILE A 90 97.960 6.004 1.263 1.00 0.00 C ATOM 1527 C ILE A 90 96.895 7.087 1.119 1.00 0.00 C ATOM 1528 O ILE A 90 97.195 8.223 0.752 1.00 0.00 O ATOM 1529 CB ILE A 90 97.875 5.041 0.078 1.00 0.00 C ATOM 1530 CG1 ILE A 90 99.111 4.138 0.068 1.00 0.00 C ATOM 1531 CG2 ILE A 90 97.819 5.839 -1.225 1.00 0.00 C ATOM 1532 CD1 ILE A 90 99.242 3.467 -1.301 1.00 0.00 C ATOM 0 H ILE A 90 97.573 4.281 2.399 1.00 0.00 H new ATOM 0 HA ILE A 90 98.942 6.476 1.277 1.00 0.00 H new ATOM 0 HB ILE A 90 96.977 4.430 0.169 1.00 0.00 H new ATOM 0 HG12 ILE A 90 100.004 4.724 0.285 1.00 0.00 H new ATOM 0 HG13 ILE A 90 99.029 3.382 0.849 1.00 0.00 H new ATOM 0 HG21 ILE A 90 97.758 5.153 -2.070 1.00 0.00 H new ATOM 0 HG22 ILE A 90 96.941 6.485 -1.219 1.00 0.00 H new ATOM 0 HG23 ILE A 90 98.718 6.449 -1.317 1.00 0.00 H new ATOM 0 HD11 ILE A 90 100.122 2.824 -1.308 1.00 0.00 H new ATOM 0 HD12 ILE A 90 98.353 2.868 -1.499 1.00 0.00 H new ATOM 0 HD13 ILE A 90 99.344 4.231 -2.072 1.00 0.00 H new ATOM 1544 N ASP A 91 95.649 6.725 1.410 1.00 0.00 N ATOM 1545 CA ASP A 91 94.543 7.668 1.284 1.00 0.00 C ATOM 1546 C ASP A 91 94.514 8.622 2.473 1.00 0.00 C ATOM 1547 O ASP A 91 93.721 9.564 2.507 1.00 0.00 O ATOM 1548 CB ASP A 91 93.217 6.909 1.204 1.00 0.00 C ATOM 1549 CG ASP A 91 92.923 6.231 2.538 1.00 0.00 C ATOM 1550 OD1 ASP A 91 92.301 5.182 2.522 1.00 0.00 O ATOM 1551 OD2 ASP A 91 93.325 6.770 3.555 1.00 0.00 O ATOM 0 H ASP A 91 95.381 5.795 1.732 1.00 0.00 H new ATOM 0 HA ASP A 91 94.686 8.247 0.372 1.00 0.00 H new ATOM 0 HB2 ASP A 91 92.410 7.596 0.950 1.00 0.00 H new ATOM 0 HB3 ASP A 91 93.262 6.164 0.410 1.00 0.00 H new ATOM 1556 N LYS A 92 95.383 8.372 3.448 1.00 0.00 N ATOM 1557 CA LYS A 92 95.449 9.218 4.634 1.00 0.00 C ATOM 1558 C LYS A 92 95.856 10.639 4.257 1.00 0.00 C ATOM 1559 O LYS A 92 95.232 11.609 4.688 1.00 0.00 O ATOM 1560 CB LYS A 92 96.459 8.643 5.629 1.00 0.00 C ATOM 1561 CG LYS A 92 96.296 9.339 6.982 1.00 0.00 C ATOM 1562 CD LYS A 92 97.235 8.695 8.003 1.00 0.00 C ATOM 1563 CE LYS A 92 97.045 9.366 9.366 1.00 0.00 C ATOM 1564 NZ LYS A 92 97.916 8.699 10.374 1.00 0.00 N ATOM 0 H LYS A 92 96.046 7.597 3.441 1.00 0.00 H new ATOM 0 HA LYS A 92 94.461 9.245 5.094 1.00 0.00 H new ATOM 0 HB2 LYS A 92 96.306 7.570 5.740 1.00 0.00 H new ATOM 0 HB3 LYS A 92 97.473 8.783 5.256 1.00 0.00 H new ATOM 0 HG2 LYS A 92 96.520 10.401 6.886 1.00 0.00 H new ATOM 0 HG3 LYS A 92 95.263 9.260 7.321 1.00 0.00 H new ATOM 0 HD2 LYS A 92 97.029 7.627 8.080 1.00 0.00 H new ATOM 0 HD3 LYS A 92 98.270 8.797 7.676 1.00 0.00 H new ATOM 0 HE2 LYS A 92 97.293 10.425 9.299 1.00 0.00 H new ATOM 0 HE3 LYS A 92 96.001 9.302 9.672 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 97.787 9.155 11.300 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 97.659 7.694 10.444 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 98.911 8.782 10.083 1.00 0.00 H new ATOM 1578 N LYS A 93 96.905 10.754 3.450 1.00 0.00 N ATOM 1579 CA LYS A 93 97.387 12.063 3.021 1.00 0.00 C ATOM 1580 C LYS A 93 97.530 12.110 1.504 1.00 0.00 C ATOM 1581 O LYS A 93 97.358 11.099 0.823 1.00 0.00 O ATOM 1582 CB LYS A 93 98.739 12.361 3.673 1.00 0.00 C ATOM 1583 CG LYS A 93 98.607 12.260 5.193 1.00 0.00 C ATOM 1584 CD LYS A 93 97.806 13.453 5.718 1.00 0.00 C ATOM 1585 CE LYS A 93 97.957 13.543 7.237 1.00 0.00 C ATOM 1586 NZ LYS A 93 97.200 14.722 7.743 1.00 0.00 N ATOM 0 H LYS A 93 97.435 9.964 3.082 1.00 0.00 H new ATOM 0 HA LYS A 93 96.662 12.816 3.329 1.00 0.00 H new ATOM 0 HB2 LYS A 93 99.490 11.657 3.315 1.00 0.00 H new ATOM 0 HB3 LYS A 93 99.078 13.358 3.392 1.00 0.00 H new ATOM 0 HG2 LYS A 93 98.111 11.328 5.464 1.00 0.00 H new ATOM 0 HG3 LYS A 93 99.595 12.241 5.654 1.00 0.00 H new ATOM 0 HD2 LYS A 93 98.158 14.374 5.252 1.00 0.00 H new ATOM 0 HD3 LYS A 93 96.755 13.343 5.453 1.00 0.00 H new ATOM 0 HE2 LYS A 93 97.586 12.631 7.705 1.00 0.00 H new ATOM 0 HE3 LYS A 93 99.010 13.632 7.504 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 97.303 14.783 8.776 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 97.574 15.588 7.306 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 96.194 14.619 7.501 1.00 0.00 H new ATOM 1600 N GLU A 94 97.847 13.290 0.980 1.00 0.00 N ATOM 1601 CA GLU A 94 98.015 13.456 -0.459 1.00 0.00 C ATOM 1602 C GLU A 94 99.412 13.022 -0.889 1.00 0.00 C ATOM 1603 O GLU A 94 99.866 13.357 -1.984 1.00 0.00 O ATOM 1604 CB GLU A 94 97.791 14.920 -0.844 1.00 0.00 C ATOM 1605 CG GLU A 94 96.333 15.301 -0.581 1.00 0.00 C ATOM 1606 CD GLU A 94 96.146 15.655 0.891 1.00 0.00 C ATOM 1607 OE1 GLU A 94 95.057 16.081 1.244 1.00 0.00 O ATOM 1608 OE2 GLU A 94 97.092 15.495 1.644 1.00 0.00 O ATOM 0 H GLU A 94 97.992 14.139 1.526 1.00 0.00 H new ATOM 0 HA GLU A 94 97.281 12.830 -0.967 1.00 0.00 H new ATOM 0 HB2 GLU A 94 98.456 15.564 -0.268 1.00 0.00 H new ATOM 0 HB3 GLU A 94 98.033 15.071 -1.896 1.00 0.00 H new ATOM 0 HG2 GLU A 94 96.051 16.148 -1.206 1.00 0.00 H new ATOM 0 HG3 GLU A 94 95.677 14.473 -0.851 1.00 0.00 H new ATOM 1615 N VAL A 95 100.088 12.276 -0.022 1.00 0.00 N ATOM 1616 CA VAL A 95 101.436 11.807 -0.322 1.00 0.00 C ATOM 1617 C VAL A 95 102.201 12.853 -1.125 1.00 0.00 C ATOM 1618 O VAL A 95 101.846 14.031 -1.127 1.00 0.00 O ATOM 1619 CB VAL A 95 101.370 10.500 -1.113 1.00 0.00 C ATOM 1620 CG1 VAL A 95 100.694 9.422 -0.265 1.00 0.00 C ATOM 1621 CG2 VAL A 95 100.561 10.722 -2.394 1.00 0.00 C ATOM 0 H VAL A 95 99.728 11.985 0.887 1.00 0.00 H new ATOM 0 HA VAL A 95 101.959 11.635 0.619 1.00 0.00 H new ATOM 0 HB VAL A 95 102.380 10.179 -1.369 1.00 0.00 H new ATOM 0 HG11 VAL A 95 100.647 8.491 -0.830 1.00 0.00 H new ATOM 0 HG12 VAL A 95 101.268 9.264 0.648 1.00 0.00 H new ATOM 0 HG13 VAL A 95 99.684 9.741 -0.008 1.00 0.00 H new ATOM 0 HG21 VAL A 95 100.513 9.791 -2.960 1.00 0.00 H new ATOM 0 HG22 VAL A 95 99.552 11.043 -2.136 1.00 0.00 H new ATOM 0 HG23 VAL A 95 101.042 11.490 -3.000 1.00 0.00 H new ATOM 1631 N ASN A 96 103.254 12.415 -1.807 1.00 0.00 N ATOM 1632 CA ASN A 96 104.069 13.324 -2.606 1.00 0.00 C ATOM 1633 C ASN A 96 104.727 12.579 -3.763 1.00 0.00 C ATOM 1634 O ASN A 96 104.811 11.351 -3.757 1.00 0.00 O ATOM 1635 CB ASN A 96 105.147 13.964 -1.729 1.00 0.00 C ATOM 1636 CG ASN A 96 105.200 13.267 -0.374 1.00 0.00 C ATOM 1637 OD1 ASN A 96 104.245 13.339 0.400 1.00 0.00 O ATOM 1638 ND2 ASN A 96 106.265 12.591 -0.039 1.00 0.00 N ATOM 0 H ASN A 96 103.562 11.443 -1.823 1.00 0.00 H new ATOM 0 HA ASN A 96 103.422 14.101 -3.012 1.00 0.00 H new ATOM 0 HB2 ASN A 96 106.117 13.894 -2.221 1.00 0.00 H new ATOM 0 HB3 ASN A 96 104.935 15.024 -1.593 1.00 0.00 H new ATOM 0 HD21 ASN A 96 106.307 12.121 0.865 1.00 0.00 H new ATOM 0 HD22 ASN A 96 107.055 12.533 -0.682 1.00 0.00 H new ATOM 1645 N PRO A 97 105.189 13.302 -4.746 1.00 0.00 N ATOM 1646 CA PRO A 97 105.860 12.710 -5.938 1.00 0.00 C ATOM 1647 C PRO A 97 106.922 11.685 -5.550 1.00 0.00 C ATOM 1648 O PRO A 97 107.314 10.845 -6.361 1.00 0.00 O ATOM 1649 CB PRO A 97 106.492 13.916 -6.635 1.00 0.00 C ATOM 1650 CG PRO A 97 106.328 15.057 -5.684 1.00 0.00 C ATOM 1651 CD PRO A 97 105.121 14.769 -4.824 1.00 0.00 C ATOM 0 HA PRO A 97 105.161 12.165 -6.573 1.00 0.00 H new ATOM 0 HB2 PRO A 97 107.544 13.736 -6.854 1.00 0.00 H new ATOM 0 HB3 PRO A 97 105.999 14.123 -7.585 1.00 0.00 H new ATOM 0 HG2 PRO A 97 107.219 15.171 -5.066 1.00 0.00 H new ATOM 0 HG3 PRO A 97 106.195 15.992 -6.228 1.00 0.00 H new ATOM 0 HD2 PRO A 97 105.189 15.240 -3.843 1.00 0.00 H new ATOM 0 HD3 PRO A 97 104.194 15.117 -5.281 1.00 0.00 H new ATOM 1659 N GLN A 98 107.383 11.760 -4.306 1.00 0.00 N ATOM 1660 CA GLN A 98 108.377 10.813 -3.812 1.00 0.00 C ATOM 1661 C GLN A 98 108.107 9.417 -4.364 1.00 0.00 C ATOM 1662 O GLN A 98 109.000 8.570 -4.397 1.00 0.00 O ATOM 1663 CB GLN A 98 108.346 10.774 -2.283 1.00 0.00 C ATOM 1664 CG GLN A 98 107.261 9.801 -1.819 1.00 0.00 C ATOM 1665 CD GLN A 98 106.947 10.033 -0.345 1.00 0.00 C ATOM 1666 OE1 GLN A 98 107.712 10.696 0.356 1.00 0.00 O ATOM 1667 NE2 GLN A 98 105.862 9.524 0.170 1.00 0.00 N ATOM 0 H GLN A 98 107.088 12.460 -3.626 1.00 0.00 H new ATOM 0 HA GLN A 98 109.361 11.140 -4.147 1.00 0.00 H new ATOM 0 HB2 GLN A 98 109.317 10.464 -1.897 1.00 0.00 H new ATOM 0 HB3 GLN A 98 108.149 11.770 -1.887 1.00 0.00 H new ATOM 0 HG2 GLN A 98 106.360 9.937 -2.417 1.00 0.00 H new ATOM 0 HG3 GLN A 98 107.593 8.774 -1.971 1.00 0.00 H new ATOM 0 HE21 GLN A 98 105.230 8.975 -0.413 1.00 0.00 H new ATOM 0 HE22 GLN A 98 105.646 9.675 1.155 1.00 0.00 H new ATOM 1676 N VAL A 99 106.873 9.185 -4.796 1.00 0.00 N ATOM 1677 CA VAL A 99 106.502 7.893 -5.363 1.00 0.00 C ATOM 1678 C VAL A 99 107.269 7.635 -6.656 1.00 0.00 C ATOM 1679 O VAL A 99 107.760 6.531 -6.887 1.00 0.00 O ATOM 1680 CB VAL A 99 104.999 7.857 -5.642 1.00 0.00 C ATOM 1681 CG1 VAL A 99 104.642 6.549 -6.350 1.00 0.00 C ATOM 1682 CG2 VAL A 99 104.233 7.946 -4.319 1.00 0.00 C ATOM 0 H VAL A 99 106.117 9.869 -4.765 1.00 0.00 H new ATOM 0 HA VAL A 99 106.755 7.115 -4.643 1.00 0.00 H new ATOM 0 HB VAL A 99 104.727 8.700 -6.278 1.00 0.00 H new ATOM 0 HG11 VAL A 99 103.571 6.524 -6.549 1.00 0.00 H new ATOM 0 HG12 VAL A 99 105.187 6.484 -7.292 1.00 0.00 H new ATOM 0 HG13 VAL A 99 104.913 5.706 -5.715 1.00 0.00 H new ATOM 0 HG21 VAL A 99 103.161 7.920 -4.517 1.00 0.00 H new ATOM 0 HG22 VAL A 99 104.505 7.103 -3.684 1.00 0.00 H new ATOM 0 HG23 VAL A 99 104.487 8.878 -3.814 1.00 0.00 H new ATOM 1692 N MET A 100 107.365 8.661 -7.495 1.00 0.00 N ATOM 1693 CA MET A 100 108.074 8.532 -8.764 1.00 0.00 C ATOM 1694 C MET A 100 109.577 8.427 -8.529 1.00 0.00 C ATOM 1695 O MET A 100 110.267 7.661 -9.203 1.00 0.00 O ATOM 1696 CB MET A 100 107.778 9.743 -9.651 1.00 0.00 C ATOM 1697 CG MET A 100 106.301 9.734 -10.052 1.00 0.00 C ATOM 1698 SD MET A 100 105.932 11.213 -11.027 1.00 0.00 S ATOM 1699 CE MET A 100 104.128 11.061 -10.996 1.00 0.00 C ATOM 0 H MET A 100 106.965 9.583 -7.322 1.00 0.00 H new ATOM 0 HA MET A 100 107.731 7.624 -9.261 1.00 0.00 H new ATOM 0 HB2 MET A 100 108.015 10.664 -9.118 1.00 0.00 H new ATOM 0 HB3 MET A 100 108.407 9.718 -10.541 1.00 0.00 H new ATOM 0 HG2 MET A 100 106.076 8.838 -10.631 1.00 0.00 H new ATOM 0 HG3 MET A 100 105.672 9.705 -9.162 1.00 0.00 H new ATOM 0 HE1 MET A 100 103.684 11.888 -11.550 1.00 0.00 H new ATOM 0 HE2 MET A 100 103.834 10.117 -11.455 1.00 0.00 H new ATOM 0 HE3 MET A 100 103.778 11.086 -9.964 1.00 0.00 H new ATOM 1709 N ALA A 101 110.077 9.200 -7.571 1.00 0.00 N ATOM 1710 CA ALA A 101 111.502 9.190 -7.262 1.00 0.00 C ATOM 1711 C ALA A 101 111.930 7.819 -6.749 1.00 0.00 C ATOM 1712 O ALA A 101 113.109 7.466 -6.803 1.00 0.00 O ATOM 1713 CB ALA A 101 111.815 10.252 -6.207 1.00 0.00 C ATOM 0 H ALA A 101 109.522 9.837 -6.999 1.00 0.00 H new ATOM 0 HA ALA A 101 112.054 9.412 -8.175 1.00 0.00 H new ATOM 0 HB1 ALA A 101 112.881 10.238 -5.982 1.00 0.00 H new ATOM 0 HB2 ALA A 101 111.537 11.235 -6.587 1.00 0.00 H new ATOM 0 HB3 ALA A 101 111.250 10.041 -5.299 1.00 0.00 H new ATOM 1719 N ALA A 102 110.966 7.052 -6.253 1.00 0.00 N ATOM 1720 CA ALA A 102 111.255 5.719 -5.734 1.00 0.00 C ATOM 1721 C ALA A 102 111.693 4.789 -6.860 1.00 0.00 C ATOM 1722 O ALA A 102 112.581 3.956 -6.681 1.00 0.00 O ATOM 1723 CB ALA A 102 110.013 5.145 -5.049 1.00 0.00 C ATOM 0 H ALA A 102 109.985 7.326 -6.199 1.00 0.00 H new ATOM 0 HA ALA A 102 112.065 5.799 -5.009 1.00 0.00 H new ATOM 0 HB1 ALA A 102 110.237 4.150 -4.664 1.00 0.00 H new ATOM 0 HB2 ALA A 102 109.719 5.795 -4.225 1.00 0.00 H new ATOM 0 HB3 ALA A 102 109.197 5.081 -5.769 1.00 0.00 H new ATOM 1729 N VAL A 103 111.064 4.937 -8.022 1.00 0.00 N ATOM 1730 CA VAL A 103 111.419 4.124 -9.180 1.00 0.00 C ATOM 1731 C VAL A 103 112.902 4.272 -9.505 1.00 0.00 C ATOM 1732 O VAL A 103 113.579 3.292 -9.816 1.00 0.00 O ATOM 1733 CB VAL A 103 110.585 4.549 -10.391 1.00 0.00 C ATOM 1734 CG1 VAL A 103 111.072 3.803 -11.633 1.00 0.00 C ATOM 1735 CG2 VAL A 103 109.114 4.212 -10.139 1.00 0.00 C ATOM 0 H VAL A 103 110.312 5.606 -8.186 1.00 0.00 H new ATOM 0 HA VAL A 103 111.213 3.080 -8.944 1.00 0.00 H new ATOM 0 HB VAL A 103 110.692 5.622 -10.547 1.00 0.00 H new ATOM 0 HG11 VAL A 103 110.478 4.106 -12.495 1.00 0.00 H new ATOM 0 HG12 VAL A 103 112.120 4.041 -11.813 1.00 0.00 H new ATOM 0 HG13 VAL A 103 110.965 2.729 -11.478 1.00 0.00 H new ATOM 0 HG21 VAL A 103 108.519 4.514 -11.001 1.00 0.00 H new ATOM 0 HG22 VAL A 103 109.008 3.138 -9.983 1.00 0.00 H new ATOM 0 HG23 VAL A 103 108.766 4.743 -9.253 1.00 0.00 H new ATOM 1745 N ALA A 104 113.400 5.502 -9.428 1.00 0.00 N ATOM 1746 CA ALA A 104 114.809 5.763 -9.701 1.00 0.00 C ATOM 1747 C ALA A 104 115.696 4.874 -8.834 1.00 0.00 C ATOM 1748 O ALA A 104 116.827 4.559 -9.205 1.00 0.00 O ATOM 1749 CB ALA A 104 115.130 7.232 -9.425 1.00 0.00 C ATOM 0 H ALA A 104 112.854 6.328 -9.181 1.00 0.00 H new ATOM 0 HA ALA A 104 115.005 5.540 -10.750 1.00 0.00 H new ATOM 0 HB1 ALA A 104 116.184 7.419 -9.631 1.00 0.00 H new ATOM 0 HB2 ALA A 104 114.517 7.865 -10.066 1.00 0.00 H new ATOM 0 HB3 ALA A 104 114.918 7.461 -8.380 1.00 0.00 H new ATOM 1755 N GLN A 105 115.175 4.474 -7.679 1.00 0.00 N ATOM 1756 CA GLN A 105 115.931 3.627 -6.765 1.00 0.00 C ATOM 1757 C GLN A 105 117.256 4.286 -6.394 1.00 0.00 C ATOM 1758 O GLN A 105 117.393 4.861 -5.314 1.00 0.00 O ATOM 1759 CB GLN A 105 116.201 2.267 -7.415 1.00 0.00 C ATOM 1760 CG GLN A 105 114.913 1.440 -7.421 1.00 0.00 C ATOM 1761 CD GLN A 105 115.151 0.111 -8.128 1.00 0.00 C ATOM 1762 OE1 GLN A 105 116.287 -0.215 -8.475 1.00 0.00 O ATOM 1763 NE2 GLN A 105 114.142 -0.682 -8.365 1.00 0.00 N ATOM 0 H GLN A 105 114.240 4.721 -7.356 1.00 0.00 H new ATOM 0 HA GLN A 105 115.341 3.487 -5.859 1.00 0.00 H new ATOM 0 HB2 GLN A 105 116.562 2.404 -8.434 1.00 0.00 H new ATOM 0 HB3 GLN A 105 116.982 1.739 -6.868 1.00 0.00 H new ATOM 0 HG2 GLN A 105 114.580 1.263 -6.398 1.00 0.00 H new ATOM 0 HG3 GLN A 105 114.119 1.992 -7.924 1.00 0.00 H new ATOM 0 HE21 GLN A 105 113.202 -0.411 -8.077 1.00 0.00 H new ATOM 0 HE22 GLN A 105 114.294 -1.573 -8.838 1.00 0.00 H new ATOM 1772 N THR A 106 118.228 4.198 -7.295 1.00 0.00 N ATOM 1773 CA THR A 106 119.539 4.789 -7.051 1.00 0.00 C ATOM 1774 C THR A 106 119.931 5.716 -8.196 1.00 0.00 C ATOM 1775 O THR A 106 119.084 6.139 -8.983 1.00 0.00 O ATOM 1776 CB THR A 106 120.590 3.686 -6.902 1.00 0.00 C ATOM 1777 OG1 THR A 106 120.739 3.007 -8.141 1.00 0.00 O ATOM 1778 CG2 THR A 106 120.144 2.695 -5.825 1.00 0.00 C ATOM 0 H THR A 106 118.135 3.727 -8.195 1.00 0.00 H new ATOM 0 HA THR A 106 119.489 5.370 -6.130 1.00 0.00 H new ATOM 0 HB THR A 106 121.543 4.128 -6.612 1.00 0.00 H new ATOM 0 HG1 THR A 106 121.413 2.301 -8.048 1.00 0.00 H new ATOM 0 HG21 THR A 106 120.893 1.910 -5.720 1.00 0.00 H new ATOM 0 HG22 THR A 106 120.030 3.217 -4.875 1.00 0.00 H new ATOM 0 HG23 THR A 106 119.191 2.251 -6.112 1.00 0.00 H new ATOM 1786 N GLU A 107 121.219 6.028 -8.284 1.00 0.00 N ATOM 1787 CA GLU A 107 121.713 6.907 -9.339 1.00 0.00 C ATOM 1788 C GLU A 107 120.962 8.235 -9.324 1.00 0.00 C ATOM 1789 O GLU A 107 119.929 8.369 -8.668 1.00 0.00 O ATOM 1790 CB GLU A 107 121.539 6.235 -10.702 1.00 0.00 C ATOM 1791 CG GLU A 107 122.395 4.969 -10.760 1.00 0.00 C ATOM 1792 CD GLU A 107 122.136 4.224 -12.066 1.00 0.00 C ATOM 1793 OE1 GLU A 107 121.488 4.791 -12.930 1.00 0.00 O ATOM 1794 OE2 GLU A 107 122.590 3.098 -12.182 1.00 0.00 O ATOM 0 H GLU A 107 121.936 5.689 -7.643 1.00 0.00 H new ATOM 0 HA GLU A 107 122.771 7.099 -9.162 1.00 0.00 H new ATOM 0 HB2 GLU A 107 120.491 5.986 -10.865 1.00 0.00 H new ATOM 0 HB3 GLU A 107 121.831 6.921 -11.497 1.00 0.00 H new ATOM 0 HG2 GLU A 107 123.451 5.230 -10.684 1.00 0.00 H new ATOM 0 HG3 GLU A 107 122.164 4.324 -9.912 1.00 0.00 H new ATOM 1801 N GLU A 108 121.488 9.214 -10.052 1.00 0.00 N ATOM 1802 CA GLU A 108 120.852 10.523 -10.128 1.00 0.00 C ATOM 1803 C GLU A 108 119.823 10.556 -11.253 1.00 0.00 C ATOM 1804 O GLU A 108 120.135 10.238 -12.401 1.00 0.00 O ATOM 1805 CB GLU A 108 121.907 11.605 -10.367 1.00 0.00 C ATOM 1806 CG GLU A 108 122.808 11.722 -9.135 1.00 0.00 C ATOM 1807 CD GLU A 108 123.964 12.674 -9.424 1.00 0.00 C ATOM 1808 OE1 GLU A 108 124.843 12.778 -8.583 1.00 0.00 O ATOM 1809 OE2 GLU A 108 123.953 13.284 -10.480 1.00 0.00 O ATOM 0 H GLU A 108 122.347 9.127 -10.594 1.00 0.00 H new ATOM 0 HA GLU A 108 120.345 10.713 -9.182 1.00 0.00 H new ATOM 0 HB2 GLU A 108 122.504 11.358 -11.245 1.00 0.00 H new ATOM 0 HB3 GLU A 108 121.423 12.561 -10.569 1.00 0.00 H new ATOM 0 HG2 GLU A 108 122.231 12.085 -8.285 1.00 0.00 H new ATOM 0 HG3 GLU A 108 123.194 10.740 -8.862 1.00 0.00 H new ATOM 1816 N ILE A 109 118.597 10.941 -10.916 1.00 0.00 N ATOM 1817 CA ILE A 109 117.529 11.007 -11.908 1.00 0.00 C ATOM 1818 C ILE A 109 117.977 11.805 -13.127 1.00 0.00 C ATOM 1819 O ILE A 109 117.438 11.639 -14.221 1.00 0.00 O ATOM 1820 CB ILE A 109 116.288 11.660 -11.295 1.00 0.00 C ATOM 1821 CG1 ILE A 109 116.652 13.050 -10.771 1.00 0.00 C ATOM 1822 CG2 ILE A 109 115.774 10.799 -10.140 1.00 0.00 C ATOM 1823 CD1 ILE A 109 115.377 13.797 -10.374 1.00 0.00 C ATOM 0 H ILE A 109 118.319 11.210 -9.972 1.00 0.00 H new ATOM 0 HA ILE A 109 117.288 9.992 -12.223 1.00 0.00 H new ATOM 0 HB ILE A 109 115.511 11.748 -12.055 1.00 0.00 H new ATOM 0 HG12 ILE A 109 117.318 12.963 -9.912 1.00 0.00 H new ATOM 0 HG13 ILE A 109 117.190 13.609 -11.536 1.00 0.00 H new ATOM 0 HG21 ILE A 109 114.890 11.265 -9.704 1.00 0.00 H new ATOM 0 HG22 ILE A 109 115.515 9.808 -10.512 1.00 0.00 H new ATOM 0 HG23 ILE A 109 116.550 10.710 -9.379 1.00 0.00 H new ATOM 0 HD11 ILE A 109 115.637 14.788 -10.001 1.00 0.00 H new ATOM 0 HD12 ILE A 109 114.728 13.896 -11.244 1.00 0.00 H new ATOM 0 HD13 ILE A 109 114.857 13.240 -9.594 1.00 0.00 H new ATOM 1835 N LEU A 110 118.965 12.672 -12.930 1.00 0.00 N ATOM 1836 CA LEU A 110 119.480 13.489 -14.023 1.00 0.00 C ATOM 1837 C LEU A 110 120.123 12.611 -15.092 1.00 0.00 C ATOM 1838 O LEU A 110 120.015 12.891 -16.287 1.00 0.00 O ATOM 1839 CB LEU A 110 120.510 14.485 -13.489 1.00 0.00 C ATOM 1840 CG LEU A 110 119.824 15.476 -12.550 1.00 0.00 C ATOM 1841 CD1 LEU A 110 120.879 16.346 -11.864 1.00 0.00 C ATOM 1842 CD2 LEU A 110 118.877 16.368 -13.357 1.00 0.00 C ATOM 0 H LEU A 110 119.422 12.826 -12.031 1.00 0.00 H new ATOM 0 HA LEU A 110 118.647 14.033 -14.469 1.00 0.00 H new ATOM 0 HB2 LEU A 110 121.303 13.956 -12.960 1.00 0.00 H new ATOM 0 HB3 LEU A 110 120.979 15.017 -14.316 1.00 0.00 H new ATOM 0 HG LEU A 110 119.258 14.929 -11.796 1.00 0.00 H new ATOM 0 HD11 LEU A 110 120.389 17.053 -11.194 1.00 0.00 H new ATOM 0 HD12 LEU A 110 121.556 15.713 -11.291 1.00 0.00 H new ATOM 0 HD13 LEU A 110 121.445 16.893 -12.618 1.00 0.00 H new ATOM 0 HD21 LEU A 110 118.386 17.076 -12.689 1.00 0.00 H new ATOM 0 HD22 LEU A 110 119.445 16.914 -14.110 1.00 0.00 H new ATOM 0 HD23 LEU A 110 118.124 15.750 -13.847 1.00 0.00 H new ATOM 1854 N LYS A 111 120.792 11.549 -14.655 1.00 0.00 N ATOM 1855 CA LYS A 111 121.452 10.639 -15.584 1.00 0.00 C ATOM 1856 C LYS A 111 120.419 9.871 -16.405 1.00 0.00 C ATOM 1857 O LYS A 111 120.663 9.529 -17.562 1.00 0.00 O ATOM 1858 CB LYS A 111 122.330 9.652 -14.813 1.00 0.00 C ATOM 1859 CG LYS A 111 123.142 8.812 -15.800 1.00 0.00 C ATOM 1860 CD LYS A 111 124.091 7.891 -15.029 1.00 0.00 C ATOM 1861 CE LYS A 111 124.908 7.057 -16.016 1.00 0.00 C ATOM 1862 NZ LYS A 111 125.844 6.174 -15.264 1.00 0.00 N ATOM 0 H LYS A 111 120.891 11.299 -13.671 1.00 0.00 H new ATOM 0 HA LYS A 111 122.074 11.226 -16.260 1.00 0.00 H new ATOM 0 HB2 LYS A 111 122.999 10.191 -14.142 1.00 0.00 H new ATOM 0 HB3 LYS A 111 121.710 9.005 -14.193 1.00 0.00 H new ATOM 0 HG2 LYS A 111 122.474 8.221 -16.426 1.00 0.00 H new ATOM 0 HG3 LYS A 111 123.710 9.462 -16.465 1.00 0.00 H new ATOM 0 HD2 LYS A 111 124.756 8.482 -14.399 1.00 0.00 H new ATOM 0 HD3 LYS A 111 123.522 7.237 -14.368 1.00 0.00 H new ATOM 0 HE2 LYS A 111 124.244 6.456 -16.637 1.00 0.00 H new ATOM 0 HE3 LYS A 111 125.467 7.711 -16.686 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 126.400 5.606 -15.935 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 126.485 6.757 -14.689 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 125.301 5.541 -14.642 1.00 0.00 H new ATOM 1876 N SER A 112 119.269 9.602 -15.797 1.00 0.00 N ATOM 1877 CA SER A 112 118.210 8.866 -16.479 1.00 0.00 C ATOM 1878 C SER A 112 117.790 9.591 -17.753 1.00 0.00 C ATOM 1879 O SER A 112 117.658 8.978 -18.813 1.00 0.00 O ATOM 1880 CB SER A 112 117.002 8.715 -15.554 1.00 0.00 C ATOM 1881 OG SER A 112 117.388 7.992 -14.392 1.00 0.00 O ATOM 0 H SER A 112 119.047 9.880 -14.841 1.00 0.00 H new ATOM 0 HA SER A 112 118.590 7.880 -16.744 1.00 0.00 H new ATOM 0 HB2 SER A 112 116.618 9.696 -15.275 1.00 0.00 H new ATOM 0 HB3 SER A 112 116.197 8.193 -16.071 1.00 0.00 H new ATOM 0 HG SER A 112 116.616 7.895 -13.796 1.00 0.00 H new ATOM 1887 N ASN A 113 117.580 10.899 -17.643 1.00 0.00 N ATOM 1888 CA ASN A 113 117.174 11.698 -18.794 1.00 0.00 C ATOM 1889 C ASN A 113 118.271 11.704 -19.855 1.00 0.00 C ATOM 1890 O ASN A 113 118.000 11.523 -21.042 1.00 0.00 O ATOM 1891 CB ASN A 113 116.878 13.132 -18.356 1.00 0.00 C ATOM 1892 CG ASN A 113 115.604 13.169 -17.517 1.00 0.00 C ATOM 1893 OD1 ASN A 113 114.702 12.355 -17.721 1.00 0.00 O ATOM 1894 ND2 ASN A 113 115.474 14.069 -16.582 1.00 0.00 N ATOM 0 H ASN A 113 117.683 11.425 -16.775 1.00 0.00 H new ATOM 0 HA ASN A 113 116.274 11.256 -19.220 1.00 0.00 H new ATOM 0 HB2 ASN A 113 117.715 13.525 -17.779 1.00 0.00 H new ATOM 0 HB3 ASN A 113 116.766 13.772 -19.231 1.00 0.00 H new ATOM 0 HD21 ASN A 113 114.625 14.100 -16.018 1.00 0.00 H new ATOM 0 HD22 ASN A 113 116.222 14.742 -16.415 1.00 0.00 H new ATOM 1901 N SER A 114 119.509 11.913 -19.418 1.00 0.00 N ATOM 1902 CA SER A 114 120.639 11.935 -20.339 1.00 0.00 C ATOM 1903 C SER A 114 121.947 11.716 -19.587 1.00 0.00 C ATOM 1904 O SER A 114 122.056 12.038 -18.403 1.00 0.00 O ATOM 1905 CB SER A 114 120.689 13.275 -21.074 1.00 0.00 C ATOM 1906 OG SER A 114 120.945 14.313 -20.137 1.00 0.00 O ATOM 0 H SER A 114 119.754 12.068 -18.440 1.00 0.00 H new ATOM 0 HA SER A 114 120.509 11.130 -21.062 1.00 0.00 H new ATOM 0 HB2 SER A 114 121.468 13.256 -21.836 1.00 0.00 H new ATOM 0 HB3 SER A 114 119.745 13.457 -21.588 1.00 0.00 H new ATOM 0 HG SER A 114 120.980 15.174 -20.604 1.00 0.00 H new ATOM 1912 N GLN A 115 122.939 11.167 -20.281 1.00 0.00 N ATOM 1913 CA GLN A 115 124.237 10.909 -19.667 1.00 0.00 C ATOM 1914 C GLN A 115 125.233 12.000 -20.043 1.00 0.00 C ATOM 1915 O GLN A 115 126.436 11.862 -19.814 1.00 0.00 O ATOM 1916 CB GLN A 115 124.769 9.549 -20.122 1.00 0.00 C ATOM 1917 CG GLN A 115 123.814 8.446 -19.661 1.00 0.00 C ATOM 1918 CD GLN A 115 124.170 7.130 -20.344 1.00 0.00 C ATOM 1919 OE1 GLN A 115 124.177 7.048 -21.572 1.00 0.00 O ATOM 1920 NE2 GLN A 115 124.468 6.088 -19.618 1.00 0.00 N ATOM 0 H GLN A 115 122.870 10.894 -21.261 1.00 0.00 H new ATOM 0 HA GLN A 115 124.112 10.905 -18.584 1.00 0.00 H new ATOM 0 HB2 GLN A 115 124.867 9.530 -21.207 1.00 0.00 H new ATOM 0 HB3 GLN A 115 125.764 9.379 -19.709 1.00 0.00 H new ATOM 0 HG2 GLN A 115 123.873 8.331 -18.579 1.00 0.00 H new ATOM 0 HG3 GLN A 115 122.786 8.721 -19.897 1.00 0.00 H new ATOM 0 HE21 GLN A 115 124.462 6.157 -18.600 1.00 0.00 H new ATOM 0 HE22 GLN A 115 124.707 5.204 -20.068 1.00 0.00 H new ATOM 1929 N THR A 116 124.727 13.084 -20.621 1.00 0.00 N ATOM 1930 CA THR A 116 125.583 14.194 -21.023 1.00 0.00 C ATOM 1931 C THR A 116 126.252 14.824 -19.804 1.00 0.00 C ATOM 1932 O THR A 116 127.442 15.137 -19.832 1.00 0.00 O ATOM 1933 CB THR A 116 124.755 15.253 -21.756 1.00 0.00 C ATOM 1934 OG1 THR A 116 123.872 14.613 -22.667 1.00 0.00 O ATOM 1935 CG2 THR A 116 125.688 16.192 -22.522 1.00 0.00 C ATOM 0 H THR A 116 123.736 13.218 -20.821 1.00 0.00 H new ATOM 0 HA THR A 116 126.355 13.810 -21.690 1.00 0.00 H new ATOM 0 HB THR A 116 124.178 15.829 -21.033 1.00 0.00 H new ATOM 0 HG1 THR A 116 123.340 15.289 -23.136 1.00 0.00 H new ATOM 0 HG21 THR A 116 125.098 16.946 -23.044 1.00 0.00 H new ATOM 0 HG22 THR A 116 126.366 16.682 -21.823 1.00 0.00 H new ATOM 0 HG23 THR A 116 126.266 15.619 -23.247 1.00 0.00 H new ATOM 1943 N ASP A 117 125.479 15.004 -18.739 1.00 0.00 N ATOM 1944 CA ASP A 117 126.009 15.594 -17.514 1.00 0.00 C ATOM 1945 C ASP A 117 127.076 14.691 -16.903 1.00 0.00 C ATOM 1946 O ASP A 117 128.137 15.161 -16.490 1.00 0.00 O ATOM 1947 CB ASP A 117 124.879 15.807 -16.506 1.00 0.00 C ATOM 1948 CG ASP A 117 124.103 17.073 -16.851 1.00 0.00 C ATOM 1949 OD1 ASP A 117 124.564 17.812 -17.704 1.00 0.00 O ATOM 1950 OD2 ASP A 117 123.059 17.285 -16.257 1.00 0.00 O ATOM 0 H ASP A 117 124.491 14.753 -18.698 1.00 0.00 H new ATOM 0 HA ASP A 117 126.461 16.555 -17.761 1.00 0.00 H new ATOM 0 HB2 ASP A 117 124.209 14.947 -16.512 1.00 0.00 H new ATOM 0 HB3 ASP A 117 125.289 15.885 -15.499 1.00 0.00 H new ATOM 1955 N LEU A 118 126.788 13.395 -16.850 1.00 0.00 N ATOM 1956 CA LEU A 118 127.734 12.435 -16.293 1.00 0.00 C ATOM 1957 C LEU A 118 128.074 11.361 -17.320 1.00 0.00 C ATOM 1958 O LEU A 118 127.601 10.227 -17.228 1.00 0.00 O ATOM 1959 CB LEU A 118 127.139 11.780 -15.044 1.00 0.00 C ATOM 1960 CG LEU A 118 126.731 12.864 -14.044 1.00 0.00 C ATOM 1961 CD1 LEU A 118 126.071 12.213 -12.828 1.00 0.00 C ATOM 1962 CD2 LEU A 118 127.973 13.638 -13.597 1.00 0.00 C ATOM 0 H LEU A 118 125.914 12.987 -17.183 1.00 0.00 H new ATOM 0 HA LEU A 118 128.647 12.967 -16.024 1.00 0.00 H new ATOM 0 HB2 LEU A 118 126.273 11.176 -15.315 1.00 0.00 H new ATOM 0 HB3 LEU A 118 127.868 11.108 -14.591 1.00 0.00 H new ATOM 0 HG LEU A 118 126.027 13.548 -14.517 1.00 0.00 H new ATOM 0 HD11 LEU A 118 125.780 12.985 -12.115 1.00 0.00 H new ATOM 0 HD12 LEU A 118 125.187 11.661 -13.146 1.00 0.00 H new ATOM 0 HD13 LEU A 118 126.775 11.529 -12.355 1.00 0.00 H new ATOM 0 HD21 LEU A 118 127.683 14.411 -12.885 1.00 0.00 H new ATOM 0 HD22 LEU A 118 128.677 12.954 -13.124 1.00 0.00 H new ATOM 0 HD23 LEU A 118 128.444 14.102 -14.464 1.00 0.00 H new ATOM 1974 N GLU A 119 128.897 11.723 -18.298 1.00 0.00 N ATOM 1975 CA GLU A 119 129.295 10.782 -19.338 1.00 0.00 C ATOM 1976 C GLU A 119 130.524 9.991 -18.904 1.00 0.00 C ATOM 1977 O GLU A 119 131.451 10.542 -18.310 1.00 0.00 O ATOM 1978 CB GLU A 119 129.601 11.533 -20.635 1.00 0.00 C ATOM 1979 CG GLU A 119 129.740 10.534 -21.785 1.00 0.00 C ATOM 1980 CD GLU A 119 128.375 9.949 -22.134 1.00 0.00 C ATOM 1981 OE1 GLU A 119 128.337 9.016 -22.919 1.00 0.00 O ATOM 1982 OE2 GLU A 119 127.390 10.442 -21.611 1.00 0.00 O ATOM 0 H GLU A 119 129.299 12.656 -18.392 1.00 0.00 H new ATOM 0 HA GLU A 119 128.471 10.088 -19.507 1.00 0.00 H new ATOM 0 HB2 GLU A 119 128.804 12.244 -20.852 1.00 0.00 H new ATOM 0 HB3 GLU A 119 130.521 12.108 -20.526 1.00 0.00 H new ATOM 0 HG2 GLU A 119 130.167 11.028 -22.658 1.00 0.00 H new ATOM 0 HG3 GLU A 119 130.426 9.735 -21.503 1.00 0.00 H new ATOM 1989 N HIS A 120 130.525 8.696 -19.204 1.00 0.00 N ATOM 1990 CA HIS A 120 131.647 7.838 -18.841 1.00 0.00 C ATOM 1991 C HIS A 120 132.900 8.238 -19.613 1.00 0.00 C ATOM 1992 O HIS A 120 134.003 8.237 -19.069 1.00 0.00 O ATOM 1993 CB HIS A 120 131.306 6.377 -19.139 1.00 0.00 C ATOM 1994 CG HIS A 120 130.706 5.742 -17.914 1.00 0.00 C ATOM 1995 ND1 HIS A 120 131.473 5.388 -16.815 1.00 0.00 N ATOM 1996 CD2 HIS A 120 129.417 5.392 -17.601 1.00 0.00 C ATOM 1997 CE1 HIS A 120 130.645 4.850 -15.900 1.00 0.00 C ATOM 1998 NE2 HIS A 120 129.380 4.829 -16.329 1.00 0.00 N ATOM 0 H HIS A 120 129.767 8.220 -19.694 1.00 0.00 H new ATOM 0 HA HIS A 120 131.839 7.955 -17.774 1.00 0.00 H new ATOM 0 HB2 HIS A 120 130.606 6.319 -19.972 1.00 0.00 H new ATOM 0 HB3 HIS A 120 132.204 5.837 -19.439 1.00 0.00 H new ATOM 0 HD2 HIS A 120 128.561 5.532 -18.244 1.00 0.00 H new ATOM 0 HE1 HIS A 120 130.964 4.480 -14.937 1.00 0.00 H new ATOM 0 HE2 HIS A 120 128.563 4.476 -15.831 1.00 0.00 H new ATOM 2007 N HIS A 121 132.721 8.580 -20.885 1.00 0.00 N ATOM 2008 CA HIS A 121 133.845 8.981 -21.723 1.00 0.00 C ATOM 2009 C HIS A 121 133.722 10.450 -22.117 1.00 0.00 C ATOM 2010 O HIS A 121 132.677 10.888 -22.598 1.00 0.00 O ATOM 2011 CB HIS A 121 133.891 8.116 -22.984 1.00 0.00 C ATOM 2012 CG HIS A 121 134.260 6.706 -22.611 1.00 0.00 C ATOM 2013 ND1 HIS A 121 133.306 5.720 -22.415 1.00 0.00 N ATOM 2014 CD2 HIS A 121 135.474 6.103 -22.393 1.00 0.00 C ATOM 2015 CE1 HIS A 121 133.956 4.585 -22.096 1.00 0.00 C ATOM 2016 NE2 HIS A 121 135.279 4.763 -22.068 1.00 0.00 N ATOM 0 H HIS A 121 131.816 8.588 -21.355 1.00 0.00 H new ATOM 0 HA HIS A 121 134.765 8.844 -21.154 1.00 0.00 H new ATOM 0 HB2 HIS A 121 132.922 8.130 -23.483 1.00 0.00 H new ATOM 0 HB3 HIS A 121 134.618 8.519 -23.689 1.00 0.00 H new ATOM 0 HD2 HIS A 121 136.434 6.593 -22.463 1.00 0.00 H new ATOM 0 HE1 HIS A 121 133.467 3.645 -21.888 1.00 0.00 H new ATOM 0 HE2 HIS A 121 135.993 4.067 -21.854 1.00 0.00 H new ATOM 2025 N HIS A 122 134.796 11.205 -21.909 1.00 0.00 N ATOM 2026 CA HIS A 122 134.797 12.624 -22.245 1.00 0.00 C ATOM 2027 C HIS A 122 134.582 12.820 -23.743 1.00 0.00 C ATOM 2028 O HIS A 122 133.802 13.676 -24.160 1.00 0.00 O ATOM 2029 CB HIS A 122 136.126 13.257 -21.832 1.00 0.00 C ATOM 2030 CG HIS A 122 136.043 14.750 -21.996 1.00 0.00 C ATOM 2031 ND1 HIS A 122 135.030 15.501 -21.418 1.00 0.00 N ATOM 2032 CD2 HIS A 122 136.838 15.645 -22.666 1.00 0.00 C ATOM 2033 CE1 HIS A 122 135.241 16.788 -21.751 1.00 0.00 C ATOM 2034 NE2 HIS A 122 136.329 16.932 -22.511 1.00 0.00 N ATOM 0 H HIS A 122 135.671 10.861 -21.512 1.00 0.00 H new ATOM 0 HA HIS A 122 133.982 13.106 -21.706 1.00 0.00 H new ATOM 0 HB2 HIS A 122 136.354 13.006 -20.796 1.00 0.00 H new ATOM 0 HB3 HIS A 122 136.936 12.858 -22.442 1.00 0.00 H new ATOM 0 HD2 HIS A 122 137.724 15.390 -23.228 1.00 0.00 H new ATOM 0 HE1 HIS A 122 134.607 17.605 -21.441 1.00 0.00 H new ATOM 0 HE2 HIS A 122 136.706 17.798 -22.895 1.00 0.00 H new ATOM 2043 N HIS A 123 135.277 12.021 -24.545 1.00 0.00 N ATOM 2044 CA HIS A 123 135.153 12.115 -25.995 1.00 0.00 C ATOM 2045 C HIS A 123 134.261 10.999 -26.530 1.00 0.00 C ATOM 2046 O HIS A 123 134.481 9.823 -26.241 1.00 0.00 O ATOM 2047 CB HIS A 123 136.534 12.022 -26.644 1.00 0.00 C ATOM 2048 CG HIS A 123 137.286 13.303 -26.412 1.00 0.00 C ATOM 2049 ND1 HIS A 123 138.300 13.406 -25.472 1.00 0.00 N ATOM 2050 CD2 HIS A 123 137.182 14.546 -26.987 1.00 0.00 C ATOM 2051 CE1 HIS A 123 138.763 14.669 -25.510 1.00 0.00 C ATOM 2052 NE2 HIS A 123 138.115 15.406 -26.417 1.00 0.00 N ATOM 0 H HIS A 123 135.927 11.306 -24.219 1.00 0.00 H new ATOM 0 HA HIS A 123 134.700 13.076 -26.241 1.00 0.00 H new ATOM 0 HB2 HIS A 123 137.088 11.182 -26.225 1.00 0.00 H new ATOM 0 HB3 HIS A 123 136.433 11.836 -27.713 1.00 0.00 H new ATOM 0 HD2 HIS A 123 136.482 14.815 -27.764 1.00 0.00 H new ATOM 0 HE1 HIS A 123 139.561 15.041 -24.884 1.00 0.00 H new ATOM 0 HE2 HIS A 123 138.271 16.388 -26.643 1.00 0.00 H new ATOM 2061 N HIS A 124 133.254 11.377 -27.311 1.00 0.00 N ATOM 2062 CA HIS A 124 132.333 10.399 -27.880 1.00 0.00 C ATOM 2063 C HIS A 124 133.061 9.485 -28.861 1.00 0.00 C ATOM 2064 O HIS A 124 132.847 8.272 -28.870 1.00 0.00 O ATOM 2065 CB HIS A 124 131.190 11.115 -28.600 1.00 0.00 C ATOM 2066 CG HIS A 124 130.368 11.880 -27.599 1.00 0.00 C ATOM 2067 ND1 HIS A 124 129.576 11.245 -26.655 1.00 0.00 N ATOM 2068 CD2 HIS A 124 130.204 13.226 -27.382 1.00 0.00 C ATOM 2069 CE1 HIS A 124 128.977 12.200 -25.919 1.00 0.00 C ATOM 2070 NE2 HIS A 124 129.326 13.426 -26.321 1.00 0.00 N ATOM 0 H HIS A 124 133.056 12.345 -27.563 1.00 0.00 H new ATOM 0 HA HIS A 124 131.928 9.794 -27.068 1.00 0.00 H new ATOM 0 HB2 HIS A 124 131.589 11.794 -29.353 1.00 0.00 H new ATOM 0 HB3 HIS A 124 130.565 10.391 -29.123 1.00 0.00 H new ATOM 0 HD2 HIS A 124 130.684 14.010 -27.949 1.00 0.00 H new ATOM 0 HE1 HIS A 124 128.298 12.000 -25.104 1.00 0.00 H new ATOM 0 HE2 HIS A 124 129.015 14.317 -25.933 1.00 0.00 H new ATOM 2079 N HIS A 125 133.921 10.074 -29.685 1.00 0.00 N ATOM 2080 CA HIS A 125 134.675 9.302 -30.666 1.00 0.00 C ATOM 2081 C HIS A 125 136.131 9.757 -30.699 1.00 0.00 C ATOM 2082 O HIS A 125 136.672 9.864 -31.788 1.00 0.00 O ATOM 2083 CB HIS A 125 134.054 9.471 -32.053 1.00 0.00 C ATOM 2084 CG HIS A 125 132.649 8.934 -32.042 1.00 0.00 C ATOM 2085 ND1 HIS A 125 132.375 7.586 -31.873 1.00 0.00 N ATOM 2086 CD2 HIS A 125 131.431 9.551 -32.178 1.00 0.00 C ATOM 2087 CE1 HIS A 125 131.038 7.437 -31.911 1.00 0.00 C ATOM 2088 NE2 HIS A 125 130.414 8.603 -32.095 1.00 0.00 N ATOM 2089 OXT HIS A 125 136.683 9.990 -29.637 1.00 0.00 O ATOM 0 H HIS A 125 134.112 11.076 -29.694 1.00 0.00 H new ATOM 0 HA HIS A 125 134.640 8.251 -30.379 1.00 0.00 H new ATOM 0 HB2 HIS A 125 134.050 10.524 -32.336 1.00 0.00 H new ATOM 0 HB3 HIS A 125 134.651 8.943 -32.797 1.00 0.00 H new ATOM 0 HD2 HIS A 125 131.283 10.610 -32.327 1.00 0.00 H new ATOM 0 HE1 HIS A 125 130.531 6.489 -31.805 1.00 0.00 H new ATOM 0 HE2 HIS A 125 129.409 8.765 -32.161 1.00 0.00 H new TER 2098 HIS A 125