USER MOD reduce.3.24.130724 H: found=0, std=0, add=1354, rem=0, adj=44 USER MOD reduce.3.24.130724 removed 1350 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 15 HIS : no HD1:sc= -6.06! C(o=-16!,f=-34!) USER MOD Set 1.2: A 25 HIS : no HE2:sc= -8.51! C(o=-16!,f=-23!) USER MOD Set 1.3: B 85 HIS : no HD1:sc= -1.63! C(o=-16!,f=-29!) USER MOD Set 2.1: A 81 THR OG1 : rot 73:sc= -0.9 USER MOD Set 2.2: B 74 MET CE :methyl 163:sc= -0.634 (180deg=-1.36) USER MOD Set 3.1: B 57 MET CE :methyl 174:sc= -0.195 (180deg=-0.303) USER MOD Set 3.2: B 68 CYS SG : rot 180:sc= 0 USER MOD Set 4.1: B 17 TYR OH : rot 165:sc= -0.758 USER MOD Set 4.2: B 38 ASN : amide:sc= 0.119 K(o=-0.64,f=-1.6!) USER MOD Set 5.1: A 85 HIS : no HD1:sc= -1.76! C(o=-17!,f=-30!) USER MOD Set 5.2: B 15 HIS : no HD1:sc= -6.07! C(o=-17!,f=-35!) USER MOD Set 5.3: B 25 HIS : no HE2:sc= -8.99! C(o=-17!,f=-23!) USER MOD Set 6.1: A 74 MET CE :methyl 169:sc= -0.549 (180deg=-1.3) USER MOD Set 6.2: B 81 THR OG1 : rot 77:sc= -0.879 USER MOD Set 7.1: A 57 MET CE :methyl 176:sc= -0.231 (180deg=-0.337) USER MOD Set 7.2: A 68 CYS SG : rot 180:sc= 0 USER MOD Set 8.1: A 17 TYR OH : rot 180:sc= -0.867 USER MOD Set 8.2: A 38 ASN : amide:sc= 0.294 K(o=-0.57,f=-1.6!) USER MOD Single : A 5 LYS NZ :NH3+ 165:sc= 0 (180deg=-0.255) USER MOD Single : A 7 MET CE :methyl 155:sc= -0.243 (180deg=-1.22) USER MOD Single : A 16 GLN : amide:sc= -0.261 K(o=-0.26,f=-2.7!) USER MOD Single : A 18 SER OG : rot 114:sc= -0.732! USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ -130:sc= 0.067 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ -103:sc= -1.27 (180deg=-3.5!) USER MOD Single : A 29 LYS NZ :NH3+ -143:sc= -0.0322 (180deg=-1.18) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ 161:sc=-0.000198 (180deg=-0.17) USER MOD Single : A 37 ASN : amide:sc= -0.277 K(o=-0.28,f=-1.9) USER MOD Single : A 41 SER OG : rot 83:sc= 0.92 USER MOD Single : A 42 HIS : no HD1:sc= 0 X(o=0,f=-0.012) USER MOD Single : A 48 LYS NZ :NH3+ 156:sc= -0.454 (180deg=-1.11) USER MOD Single : A 50 GLN : amide:sc= -4.14! C(o=-4.1!,f=-9.2!) USER MOD Single : A 55 LYS NZ :NH3+ -159:sc= -0.0242 (180deg=-0.275) USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 GLN : amide:sc= -0.192 X(o=-0.19,f=-0.26) USER MOD Single : A 78 SER OG : rot -57:sc= -0.535 USER MOD Single : A 79 MET CE :methyl 166:sc= -0.167 (180deg=-0.345) USER MOD Single : A 82 THR OG1 : rot 160:sc= -0.747 USER MOD Single : A 84 CYS SG : rot -23:sc= 1.01 USER MOD Single : B 5 LYS NZ :NH3+ 162:sc= 0 (180deg=-0.289) USER MOD Single : B 7 MET CE :methyl 151:sc= -0.193 (180deg=-1.33!) USER MOD Single : B 16 GLN : amide:sc= -0.218 K(o=-0.22,f=-2.8!) USER MOD Single : B 18 SER OG : rot 126:sc= -0.828! USER MOD Single : B 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 26 LYS NZ :NH3+ -130:sc= 0.0564 (180deg=0) USER MOD Single : B 28 LYS NZ :NH3+ -105:sc= -1.47 (180deg=-3.71!) USER MOD Single : B 29 LYS NZ :NH3+ -137:sc= -0.0245 (180deg=-1.18) USER MOD Single : B 30 SER OG : rot 180:sc= 0 USER MOD Single : B 33 LYS NZ :NH3+ 159:sc=-0.00593 (180deg=-0.157) USER MOD Single : B 37 ASN : amide:sc= -0.292 K(o=-0.29,f=-1.9!) USER MOD Single : B 41 SER OG : rot 84:sc= 0.952 USER MOD Single : B 42 HIS : no HD1:sc= 0 X(o=0,f=-0.014) USER MOD Single : B 48 LYS NZ :NH3+ 156:sc= -0.567 (180deg=-1.23) USER MOD Single : B 50 GLN : amide:sc= -4.26! C(o=-4.3!,f=-9.3!) USER MOD Single : B 55 LYS NZ :NH3+ -157:sc= -0.0245 (180deg=-0.315) USER MOD Single : B 59 THR OG1 : rot 180:sc= 0 USER MOD Single : B 71 GLN : amide:sc= -0.191 X(o=-0.19,f=-0.25) USER MOD Single : B 78 SER OG : rot -52:sc= -0.532 USER MOD Single : B 79 MET CE :methyl 167:sc= -0.177 (180deg=-0.354) USER MOD Single : B 82 THR OG1 : rot 4:sc= -0.616 USER MOD Single : B 84 CYS SG : rot -18:sc= 0.978 USER MOD ----------------------------------------------------------------- ATOM 31 N GLU A 2 -7.873 1.159 12.467 1.00 0.00 N ATOM 32 CA GLU A 2 -6.705 0.267 12.217 1.00 0.00 C ATOM 33 C GLU A 2 -5.926 0.813 11.020 1.00 0.00 C ATOM 34 O GLU A 2 -4.728 0.643 10.905 1.00 0.00 O ATOM 35 CB GLU A 2 -7.188 -1.154 11.903 1.00 0.00 C ATOM 36 CG GLU A 2 -7.570 -1.855 13.206 1.00 0.00 C ATOM 37 CD GLU A 2 -8.214 -3.207 12.894 1.00 0.00 C ATOM 38 OE1 GLU A 2 -7.485 -4.179 12.790 1.00 0.00 O ATOM 39 OE2 GLU A 2 -9.427 -3.249 12.767 1.00 0.00 O ATOM 0 HA GLU A 2 -6.069 0.236 13.102 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -8.045 -1.119 11.230 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -6.404 -1.713 11.392 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -6.685 -1.997 13.827 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -8.262 -1.234 13.775 1.00 0.00 H new ATOM 46 N LEU A 3 -6.614 1.454 10.120 1.00 0.00 N ATOM 47 CA LEU A 3 -5.962 2.006 8.908 1.00 0.00 C ATOM 48 C LEU A 3 -5.106 3.236 9.260 1.00 0.00 C ATOM 49 O LEU A 3 -4.166 3.554 8.561 1.00 0.00 O ATOM 50 CB LEU A 3 -7.083 2.397 7.914 1.00 0.00 C ATOM 51 CG LEU A 3 -6.862 1.783 6.524 1.00 0.00 C ATOM 52 CD1 LEU A 3 -5.604 2.379 5.893 1.00 0.00 C ATOM 53 CD2 LEU A 3 -6.748 0.241 6.605 1.00 0.00 C ATOM 0 H LEU A 3 -7.619 1.620 10.176 1.00 0.00 H new ATOM 0 HA LEU A 3 -5.298 1.263 8.466 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -8.046 2.069 8.306 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -7.128 3.483 7.827 1.00 0.00 H new ATOM 0 HG LEU A 3 -7.724 2.019 5.900 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -5.449 1.942 4.907 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -5.722 3.458 5.797 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -4.743 2.163 6.525 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -6.592 -0.165 5.606 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -5.906 -0.029 7.242 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -7.666 -0.170 7.025 1.00 0.00 H new ATOM 65 N GLU A 4 -5.409 3.928 10.328 1.00 0.00 N ATOM 66 CA GLU A 4 -4.589 5.122 10.683 1.00 0.00 C ATOM 67 C GLU A 4 -3.177 4.659 11.038 1.00 0.00 C ATOM 68 O GLU A 4 -2.197 5.157 10.521 1.00 0.00 O ATOM 69 CB GLU A 4 -5.204 5.853 11.878 1.00 0.00 C ATOM 70 CG GLU A 4 -4.331 7.055 12.243 1.00 0.00 C ATOM 71 CD GLU A 4 -5.053 7.912 13.284 1.00 0.00 C ATOM 72 OE1 GLU A 4 -6.244 7.716 13.461 1.00 0.00 O ATOM 73 OE2 GLU A 4 -4.403 8.751 13.886 1.00 0.00 O ATOM 0 H GLU A 4 -6.180 3.720 10.963 1.00 0.00 H new ATOM 0 HA GLU A 4 -4.559 5.806 9.835 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -6.214 6.183 11.636 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -5.285 5.177 12.729 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -3.373 6.716 12.637 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -4.118 7.647 11.353 1.00 0.00 H new ATOM 80 N LYS A 5 -3.072 3.694 11.907 1.00 0.00 N ATOM 81 CA LYS A 5 -1.731 3.173 12.292 1.00 0.00 C ATOM 82 C LYS A 5 -0.971 2.798 11.026 1.00 0.00 C ATOM 83 O LYS A 5 0.201 3.083 10.874 1.00 0.00 O ATOM 84 CB LYS A 5 -1.890 1.906 13.143 1.00 0.00 C ATOM 85 CG LYS A 5 -2.698 2.205 14.417 1.00 0.00 C ATOM 86 CD LYS A 5 -4.201 2.401 14.090 1.00 0.00 C ATOM 87 CE LYS A 5 -5.071 1.800 15.198 1.00 0.00 C ATOM 88 NZ LYS A 5 -4.694 2.397 16.510 1.00 0.00 N ATOM 0 H LYS A 5 -3.861 3.241 12.369 1.00 0.00 H new ATOM 0 HA LYS A 5 -1.197 3.936 12.858 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -2.391 1.132 12.562 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -0.908 1.517 13.412 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -2.581 1.386 15.127 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -2.307 3.102 14.898 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -4.421 3.463 13.982 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -4.437 1.928 13.137 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -6.124 1.989 14.990 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -4.942 0.718 15.229 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -5.434 2.190 17.211 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -3.791 1.991 16.830 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -4.593 3.427 16.407 1.00 0.00 H new ATOM 102 N ALA A 6 -1.635 2.126 10.132 1.00 0.00 N ATOM 103 CA ALA A 6 -0.970 1.680 8.876 1.00 0.00 C ATOM 104 C ALA A 6 -0.347 2.852 8.122 1.00 0.00 C ATOM 105 O ALA A 6 0.831 2.844 7.825 1.00 0.00 O ATOM 106 CB ALA A 6 -1.990 0.973 7.980 1.00 0.00 C ATOM 0 H ALA A 6 -2.617 1.864 10.216 1.00 0.00 H new ATOM 0 HA ALA A 6 -0.169 0.992 9.144 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -1.503 0.647 7.061 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -2.395 0.107 8.503 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -2.800 1.661 7.737 1.00 0.00 H new ATOM 112 N MET A 7 -1.107 3.851 7.794 1.00 0.00 N ATOM 113 CA MET A 7 -0.510 4.991 7.047 1.00 0.00 C ATOM 114 C MET A 7 0.497 5.711 7.943 1.00 0.00 C ATOM 115 O MET A 7 1.450 6.286 7.471 1.00 0.00 O ATOM 116 CB MET A 7 -1.603 5.961 6.581 1.00 0.00 C ATOM 117 CG MET A 7 -2.475 6.380 7.763 1.00 0.00 C ATOM 118 SD MET A 7 -3.704 7.594 7.208 1.00 0.00 S ATOM 119 CE MET A 7 -4.624 6.516 6.078 1.00 0.00 C ATOM 0 H MET A 7 -2.102 3.931 8.005 1.00 0.00 H new ATOM 0 HA MET A 7 0.002 4.611 6.163 1.00 0.00 H new ATOM 0 HB2 MET A 7 -1.149 6.841 6.125 1.00 0.00 H new ATOM 0 HB3 MET A 7 -2.218 5.487 5.816 1.00 0.00 H new ATOM 0 HG2 MET A 7 -2.974 5.509 8.187 1.00 0.00 H new ATOM 0 HG3 MET A 7 -1.856 6.808 8.552 1.00 0.00 H new ATOM 0 HE1 MET A 7 -5.643 6.888 5.969 1.00 0.00 H new ATOM 0 HE2 MET A 7 -4.135 6.508 5.104 1.00 0.00 H new ATOM 0 HE3 MET A 7 -4.648 5.503 6.480 1.00 0.00 H new ATOM 129 N VAL A 8 0.304 5.672 9.230 1.00 0.00 N ATOM 130 CA VAL A 8 1.271 6.348 10.144 1.00 0.00 C ATOM 131 C VAL A 8 2.540 5.488 10.245 1.00 0.00 C ATOM 132 O VAL A 8 3.640 5.944 10.006 1.00 0.00 O ATOM 133 CB VAL A 8 0.619 6.506 11.533 1.00 0.00 C ATOM 134 CG1 VAL A 8 1.689 6.679 12.621 1.00 0.00 C ATOM 135 CG2 VAL A 8 -0.302 7.734 11.528 1.00 0.00 C ATOM 0 H VAL A 8 -0.477 5.204 9.690 1.00 0.00 H new ATOM 0 HA VAL A 8 1.536 7.334 9.761 1.00 0.00 H new ATOM 0 HB VAL A 8 0.042 5.607 11.750 1.00 0.00 H new ATOM 0 HG11 VAL A 8 1.206 6.789 13.592 1.00 0.00 H new ATOM 0 HG12 VAL A 8 2.338 5.804 12.635 1.00 0.00 H new ATOM 0 HG13 VAL A 8 2.283 7.568 12.409 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -0.763 7.847 12.509 1.00 0.00 H new ATOM 0 HG22 VAL A 8 0.281 8.625 11.297 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -1.079 7.603 10.775 1.00 0.00 H new ATOM 145 N ALA A 9 2.380 4.252 10.610 1.00 0.00 N ATOM 146 CA ALA A 9 3.558 3.351 10.746 1.00 0.00 C ATOM 147 C ALA A 9 4.426 3.422 9.481 1.00 0.00 C ATOM 148 O ALA A 9 5.635 3.285 9.538 1.00 0.00 O ATOM 149 CB ALA A 9 3.079 1.915 10.959 1.00 0.00 C ATOM 0 H ALA A 9 1.480 3.822 10.822 1.00 0.00 H new ATOM 0 HA ALA A 9 4.153 3.669 11.602 1.00 0.00 H new ATOM 0 HB1 ALA A 9 3.941 1.255 11.059 1.00 0.00 H new ATOM 0 HB2 ALA A 9 2.476 1.863 11.865 1.00 0.00 H new ATOM 0 HB3 ALA A 9 2.479 1.601 10.105 1.00 0.00 H new ATOM 155 N LEU A 10 3.827 3.626 8.336 1.00 0.00 N ATOM 156 CA LEU A 10 4.633 3.688 7.081 1.00 0.00 C ATOM 157 C LEU A 10 5.338 5.048 6.969 1.00 0.00 C ATOM 158 O LEU A 10 6.483 5.117 6.605 1.00 0.00 O ATOM 159 CB LEU A 10 3.702 3.462 5.870 1.00 0.00 C ATOM 160 CG LEU A 10 3.699 1.968 5.471 1.00 0.00 C ATOM 161 CD1 LEU A 10 2.395 1.629 4.752 1.00 0.00 C ATOM 162 CD2 LEU A 10 4.875 1.677 4.528 1.00 0.00 C ATOM 0 H LEU A 10 2.822 3.751 8.216 1.00 0.00 H new ATOM 0 HA LEU A 10 5.396 2.910 7.099 1.00 0.00 H new ATOM 0 HB2 LEU A 10 2.690 3.783 6.115 1.00 0.00 H new ATOM 0 HB3 LEU A 10 4.034 4.070 5.028 1.00 0.00 H new ATOM 0 HG LEU A 10 3.793 1.363 6.373 1.00 0.00 H new ATOM 0 HD11 LEU A 10 2.397 0.575 4.473 1.00 0.00 H new ATOM 0 HD12 LEU A 10 1.552 1.827 5.414 1.00 0.00 H new ATOM 0 HD13 LEU A 10 2.304 2.242 3.855 1.00 0.00 H new ATOM 0 HD21 LEU A 10 4.867 0.623 4.251 1.00 0.00 H new ATOM 0 HD22 LEU A 10 4.782 2.289 3.631 1.00 0.00 H new ATOM 0 HD23 LEU A 10 5.812 1.912 5.032 1.00 0.00 H new ATOM 174 N ILE A 11 4.669 6.124 7.270 1.00 0.00 N ATOM 175 CA ILE A 11 5.324 7.465 7.167 1.00 0.00 C ATOM 176 C ILE A 11 6.700 7.407 7.840 1.00 0.00 C ATOM 177 O ILE A 11 7.639 8.043 7.412 1.00 0.00 O ATOM 178 CB ILE A 11 4.449 8.521 7.860 1.00 0.00 C ATOM 179 CG1 ILE A 11 3.252 8.845 6.960 1.00 0.00 C ATOM 180 CG2 ILE A 11 5.256 9.807 8.099 1.00 0.00 C ATOM 181 CD1 ILE A 11 2.199 9.659 7.730 1.00 0.00 C ATOM 0 H ILE A 11 3.698 6.138 7.583 1.00 0.00 H new ATOM 0 HA ILE A 11 5.444 7.735 6.118 1.00 0.00 H new ATOM 0 HB ILE A 11 4.109 8.129 8.819 1.00 0.00 H new ATOM 0 HG12 ILE A 11 3.587 9.407 6.088 1.00 0.00 H new ATOM 0 HG13 ILE A 11 2.807 7.921 6.592 1.00 0.00 H new ATOM 0 HG21 ILE A 11 4.624 10.547 8.591 1.00 0.00 H new ATOM 0 HG22 ILE A 11 6.115 9.585 8.732 1.00 0.00 H new ATOM 0 HG23 ILE A 11 5.602 10.202 7.144 1.00 0.00 H new ATOM 0 HD11 ILE A 11 1.357 9.879 7.073 1.00 0.00 H new ATOM 0 HD12 ILE A 11 1.850 9.084 8.587 1.00 0.00 H new ATOM 0 HD13 ILE A 11 2.642 10.593 8.076 1.00 0.00 H new ATOM 193 N ASP A 12 6.823 6.654 8.896 1.00 0.00 N ATOM 194 CA ASP A 12 8.138 6.567 9.591 1.00 0.00 C ATOM 195 C ASP A 12 9.121 5.768 8.736 1.00 0.00 C ATOM 196 O ASP A 12 10.227 6.198 8.478 1.00 0.00 O ATOM 197 CB ASP A 12 7.957 5.877 10.948 1.00 0.00 C ATOM 198 CG ASP A 12 9.191 6.124 11.820 1.00 0.00 C ATOM 199 OD1 ASP A 12 9.468 7.276 12.108 1.00 0.00 O ATOM 200 OD2 ASP A 12 9.835 5.155 12.187 1.00 0.00 O ATOM 0 H ASP A 12 6.074 6.097 9.307 1.00 0.00 H new ATOM 0 HA ASP A 12 8.531 7.572 9.746 1.00 0.00 H new ATOM 0 HB2 ASP A 12 7.066 6.259 11.445 1.00 0.00 H new ATOM 0 HB3 ASP A 12 7.808 4.807 10.806 1.00 0.00 H new ATOM 205 N VAL A 13 8.726 4.609 8.299 1.00 0.00 N ATOM 206 CA VAL A 13 9.633 3.774 7.462 1.00 0.00 C ATOM 207 C VAL A 13 9.669 4.327 6.030 1.00 0.00 C ATOM 208 O VAL A 13 10.629 4.148 5.306 1.00 0.00 O ATOM 209 CB VAL A 13 9.127 2.327 7.467 1.00 0.00 C ATOM 210 CG1 VAL A 13 10.183 1.406 6.855 1.00 0.00 C ATOM 211 CG2 VAL A 13 8.846 1.896 8.916 1.00 0.00 C ATOM 0 H VAL A 13 7.810 4.200 8.485 1.00 0.00 H new ATOM 0 HA VAL A 13 10.644 3.800 7.868 1.00 0.00 H new ATOM 0 HB VAL A 13 8.212 2.260 6.879 1.00 0.00 H new ATOM 0 HG11 VAL A 13 9.818 0.379 6.861 1.00 0.00 H new ATOM 0 HG12 VAL A 13 10.383 1.714 5.829 1.00 0.00 H new ATOM 0 HG13 VAL A 13 11.102 1.468 7.438 1.00 0.00 H new ATOM 0 HG21 VAL A 13 8.486 0.867 8.926 1.00 0.00 H new ATOM 0 HG22 VAL A 13 9.763 1.965 9.501 1.00 0.00 H new ATOM 0 HG23 VAL A 13 8.089 2.550 9.350 1.00 0.00 H new ATOM 221 N PHE A 14 8.627 4.997 5.623 1.00 0.00 N ATOM 222 CA PHE A 14 8.598 5.562 4.238 1.00 0.00 C ATOM 223 C PHE A 14 9.534 6.777 4.153 1.00 0.00 C ATOM 224 O PHE A 14 10.319 6.901 3.234 1.00 0.00 O ATOM 225 CB PHE A 14 7.161 5.969 3.871 1.00 0.00 C ATOM 226 CG PHE A 14 7.157 6.880 2.654 1.00 0.00 C ATOM 227 CD1 PHE A 14 7.801 6.483 1.475 1.00 0.00 C ATOM 228 CD2 PHE A 14 6.512 8.124 2.710 1.00 0.00 C ATOM 229 CE1 PHE A 14 7.799 7.324 0.356 1.00 0.00 C ATOM 230 CE2 PHE A 14 6.512 8.965 1.590 1.00 0.00 C ATOM 231 CZ PHE A 14 7.156 8.564 0.414 1.00 0.00 C ATOM 0 H PHE A 14 7.795 5.179 6.185 1.00 0.00 H new ATOM 0 HA PHE A 14 8.939 4.805 3.532 1.00 0.00 H new ATOM 0 HB2 PHE A 14 6.566 5.079 3.667 1.00 0.00 H new ATOM 0 HB3 PHE A 14 6.695 6.478 4.715 1.00 0.00 H new ATOM 0 HD1 PHE A 14 8.300 5.526 1.429 1.00 0.00 H new ATOM 0 HD2 PHE A 14 6.015 8.434 3.617 1.00 0.00 H new ATOM 0 HE1 PHE A 14 8.294 7.015 -0.553 1.00 0.00 H new ATOM 0 HE2 PHE A 14 6.015 9.923 1.634 1.00 0.00 H new ATOM 0 HZ PHE A 14 7.156 9.213 -0.449 1.00 0.00 H new ATOM 241 N HIS A 15 9.445 7.681 5.090 1.00 0.00 N ATOM 242 CA HIS A 15 10.316 8.893 5.044 1.00 0.00 C ATOM 243 C HIS A 15 11.753 8.521 5.452 1.00 0.00 C ATOM 244 O HIS A 15 12.706 9.125 5.009 1.00 0.00 O ATOM 245 CB HIS A 15 9.736 9.956 6.010 1.00 0.00 C ATOM 246 CG HIS A 15 9.828 11.345 5.420 1.00 0.00 C ATOM 247 ND1 HIS A 15 10.188 12.445 6.183 1.00 0.00 N ATOM 248 CD2 HIS A 15 9.575 11.832 4.159 1.00 0.00 C ATOM 249 CE1 HIS A 15 10.138 13.527 5.383 1.00 0.00 C ATOM 250 NE2 HIS A 15 9.769 13.210 4.140 1.00 0.00 N ATOM 0 H HIS A 15 8.808 7.634 5.885 1.00 0.00 H new ATOM 0 HA HIS A 15 10.343 9.297 4.032 1.00 0.00 H new ATOM 0 HB2 HIS A 15 8.695 9.721 6.230 1.00 0.00 H new ATOM 0 HB3 HIS A 15 10.277 9.924 6.956 1.00 0.00 H new ATOM 0 HD2 HIS A 15 9.272 11.235 3.312 1.00 0.00 H new ATOM 0 HE1 HIS A 15 10.369 14.531 5.708 1.00 0.00 H new ATOM 0 HE2 HIS A 15 9.654 13.841 3.347 1.00 0.00 H new ATOM 258 N GLN A 16 11.912 7.541 6.301 1.00 0.00 N ATOM 259 CA GLN A 16 13.286 7.144 6.741 1.00 0.00 C ATOM 260 C GLN A 16 14.065 6.534 5.570 1.00 0.00 C ATOM 261 O GLN A 16 15.237 6.800 5.381 1.00 0.00 O ATOM 262 CB GLN A 16 13.173 6.113 7.871 1.00 0.00 C ATOM 263 CG GLN A 16 12.837 6.822 9.186 1.00 0.00 C ATOM 264 CD GLN A 16 14.095 7.499 9.737 1.00 0.00 C ATOM 265 OE1 GLN A 16 15.122 7.518 9.088 1.00 0.00 O ATOM 266 NE2 GLN A 16 14.058 8.057 10.916 1.00 0.00 N ATOM 0 H GLN A 16 11.152 6.997 6.710 1.00 0.00 H new ATOM 0 HA GLN A 16 13.817 8.028 7.094 1.00 0.00 H new ATOM 0 HB2 GLN A 16 12.400 5.382 7.633 1.00 0.00 H new ATOM 0 HB3 GLN A 16 14.110 5.565 7.971 1.00 0.00 H new ATOM 0 HG2 GLN A 16 12.054 7.563 9.022 1.00 0.00 H new ATOM 0 HG3 GLN A 16 12.450 6.105 9.910 1.00 0.00 H new ATOM 0 HE21 GLN A 16 13.196 8.041 11.461 1.00 0.00 H new ATOM 0 HE22 GLN A 16 14.891 8.509 11.293 1.00 0.00 H new ATOM 275 N TYR A 17 13.421 5.731 4.771 1.00 0.00 N ATOM 276 CA TYR A 17 14.124 5.115 3.606 1.00 0.00 C ATOM 277 C TYR A 17 13.999 6.051 2.412 1.00 0.00 C ATOM 278 O TYR A 17 14.982 6.499 1.856 1.00 0.00 O ATOM 279 CB TYR A 17 13.493 3.747 3.288 1.00 0.00 C ATOM 280 CG TYR A 17 14.141 2.686 4.147 1.00 0.00 C ATOM 281 CD1 TYR A 17 15.280 2.020 3.686 1.00 0.00 C ATOM 282 CD2 TYR A 17 13.611 2.379 5.406 1.00 0.00 C ATOM 283 CE1 TYR A 17 15.893 1.048 4.483 1.00 0.00 C ATOM 284 CE2 TYR A 17 14.222 1.404 6.203 1.00 0.00 C ATOM 285 CZ TYR A 17 15.364 0.740 5.740 1.00 0.00 C ATOM 286 OH TYR A 17 15.971 -0.217 6.527 1.00 0.00 O ATOM 0 H TYR A 17 12.439 5.473 4.872 1.00 0.00 H new ATOM 0 HA TYR A 17 15.178 4.963 3.837 1.00 0.00 H new ATOM 0 HB2 TYR A 17 12.420 3.777 3.475 1.00 0.00 H new ATOM 0 HB3 TYR A 17 13.627 3.509 2.233 1.00 0.00 H new ATOM 0 HD1 TYR A 17 15.687 2.256 2.714 1.00 0.00 H new ATOM 0 HD2 TYR A 17 12.731 2.894 5.762 1.00 0.00 H new ATOM 0 HE1 TYR A 17 16.775 0.535 4.128 1.00 0.00 H new ATOM 0 HE2 TYR A 17 13.813 1.164 7.173 1.00 0.00 H new ATOM 0 HH TYR A 17 15.478 -0.309 7.369 1.00 0.00 H new ATOM 296 N SER A 18 12.802 6.371 2.022 1.00 0.00 N ATOM 297 CA SER A 18 12.630 7.297 0.878 1.00 0.00 C ATOM 298 C SER A 18 13.440 8.566 1.162 1.00 0.00 C ATOM 299 O SER A 18 13.777 9.319 0.268 1.00 0.00 O ATOM 300 CB SER A 18 11.148 7.639 0.720 1.00 0.00 C ATOM 301 OG SER A 18 10.378 6.461 0.912 1.00 0.00 O ATOM 0 H SER A 18 11.938 6.032 2.445 1.00 0.00 H new ATOM 0 HA SER A 18 12.981 6.835 -0.045 1.00 0.00 H new ATOM 0 HB2 SER A 18 10.858 8.400 1.444 1.00 0.00 H new ATOM 0 HB3 SER A 18 10.961 8.054 -0.271 1.00 0.00 H new ATOM 0 HG SER A 18 9.837 6.552 1.724 1.00 0.00 H new ATOM 307 N GLY A 19 13.754 8.800 2.413 1.00 0.00 N ATOM 308 CA GLY A 19 14.545 10.010 2.792 1.00 0.00 C ATOM 309 C GLY A 19 16.015 9.634 2.996 1.00 0.00 C ATOM 310 O GLY A 19 16.849 10.485 3.239 1.00 0.00 O ATOM 0 H GLY A 19 13.493 8.198 3.194 1.00 0.00 H new ATOM 0 HA2 GLY A 19 14.460 10.768 2.014 1.00 0.00 H new ATOM 0 HA3 GLY A 19 14.143 10.446 3.707 1.00 0.00 H new ATOM 314 N ARG A 20 16.355 8.376 2.883 1.00 0.00 N ATOM 315 CA ARG A 20 17.783 7.978 3.054 1.00 0.00 C ATOM 316 C ARG A 20 18.613 8.680 1.981 1.00 0.00 C ATOM 317 O ARG A 20 19.678 9.204 2.244 1.00 0.00 O ATOM 318 CB ARG A 20 17.907 6.457 2.892 1.00 0.00 C ATOM 319 CG ARG A 20 19.360 6.004 3.115 1.00 0.00 C ATOM 320 CD ARG A 20 19.525 4.562 2.629 1.00 0.00 C ATOM 321 NE ARG A 20 18.748 3.650 3.512 1.00 0.00 N ATOM 322 CZ ARG A 20 19.210 3.338 4.691 1.00 0.00 C ATOM 323 NH1 ARG A 20 20.351 3.828 5.093 1.00 0.00 N ATOM 324 NH2 ARG A 20 18.532 2.541 5.468 1.00 0.00 N ATOM 0 H ARG A 20 15.710 7.612 2.681 1.00 0.00 H new ATOM 0 HA ARG A 20 18.140 8.262 4.044 1.00 0.00 H new ATOM 0 HB2 ARG A 20 17.251 5.956 3.604 1.00 0.00 H new ATOM 0 HB3 ARG A 20 17.578 6.164 1.895 1.00 0.00 H new ATOM 0 HG2 ARG A 20 20.044 6.661 2.577 1.00 0.00 H new ATOM 0 HG3 ARG A 20 19.616 6.074 4.172 1.00 0.00 H new ATOM 0 HD2 ARG A 20 19.178 4.472 1.600 1.00 0.00 H new ATOM 0 HD3 ARG A 20 20.579 4.283 2.636 1.00 0.00 H new ATOM 0 HE ARG A 20 17.856 3.270 3.196 1.00 0.00 H new ATOM 0 HH11 ARG A 20 20.880 4.454 4.485 1.00 0.00 H new ATOM 0 HH12 ARG A 20 20.714 3.585 6.015 1.00 0.00 H new ATOM 0 HH21 ARG A 20 17.639 2.161 5.154 1.00 0.00 H new ATOM 0 HH22 ARG A 20 18.894 2.298 6.390 1.00 0.00 H new ATOM 338 N GLU A 21 18.129 8.694 0.773 1.00 0.00 N ATOM 339 CA GLU A 21 18.885 9.364 -0.324 1.00 0.00 C ATOM 340 C GLU A 21 17.950 9.618 -1.512 1.00 0.00 C ATOM 341 O GLU A 21 16.826 9.158 -1.542 1.00 0.00 O ATOM 342 CB GLU A 21 20.053 8.469 -0.756 1.00 0.00 C ATOM 343 CG GLU A 21 19.614 7.005 -0.724 1.00 0.00 C ATOM 344 CD GLU A 21 20.685 6.137 -1.387 1.00 0.00 C ATOM 345 OE1 GLU A 21 21.612 6.700 -1.947 1.00 0.00 O ATOM 346 OE2 GLU A 21 20.562 4.925 -1.322 1.00 0.00 O ATOM 0 H GLU A 21 17.243 8.271 0.495 1.00 0.00 H new ATOM 0 HA GLU A 21 19.276 10.318 0.029 1.00 0.00 H new ATOM 0 HB2 GLU A 21 20.380 8.740 -1.760 1.00 0.00 H new ATOM 0 HB3 GLU A 21 20.904 8.619 -0.092 1.00 0.00 H new ATOM 0 HG2 GLU A 21 19.456 6.684 0.306 1.00 0.00 H new ATOM 0 HG3 GLU A 21 18.663 6.888 -1.243 1.00 0.00 H new ATOM 353 N GLY A 22 18.408 10.356 -2.492 1.00 0.00 N ATOM 354 CA GLY A 22 17.553 10.654 -3.683 1.00 0.00 C ATOM 355 C GLY A 22 16.902 12.024 -3.503 1.00 0.00 C ATOM 356 O GLY A 22 17.273 12.784 -2.631 1.00 0.00 O ATOM 0 H GLY A 22 19.341 10.767 -2.519 1.00 0.00 H new ATOM 0 HA2 GLY A 22 18.156 10.641 -4.591 1.00 0.00 H new ATOM 0 HA3 GLY A 22 16.788 9.886 -3.798 1.00 0.00 H new ATOM 360 N ASP A 23 15.928 12.347 -4.314 1.00 0.00 N ATOM 361 CA ASP A 23 15.252 13.670 -4.176 1.00 0.00 C ATOM 362 C ASP A 23 14.916 13.907 -2.705 1.00 0.00 C ATOM 363 O ASP A 23 15.488 14.762 -2.057 1.00 0.00 O ATOM 364 CB ASP A 23 13.963 13.678 -4.999 1.00 0.00 C ATOM 365 CG ASP A 23 14.307 13.757 -6.487 1.00 0.00 C ATOM 366 OD1 ASP A 23 14.844 14.773 -6.897 1.00 0.00 O ATOM 367 OD2 ASP A 23 14.030 12.800 -7.190 1.00 0.00 O ATOM 0 H ASP A 23 15.573 11.753 -5.064 1.00 0.00 H new ATOM 0 HA ASP A 23 15.913 14.458 -4.537 1.00 0.00 H new ATOM 0 HB2 ASP A 23 13.384 12.777 -4.796 1.00 0.00 H new ATOM 0 HB3 ASP A 23 13.342 14.527 -4.713 1.00 0.00 H new ATOM 372 N LYS A 24 14.004 13.144 -2.166 1.00 0.00 N ATOM 373 CA LYS A 24 13.649 13.318 -0.731 1.00 0.00 C ATOM 374 C LYS A 24 12.626 12.250 -0.319 1.00 0.00 C ATOM 375 O LYS A 24 12.726 11.682 0.746 1.00 0.00 O ATOM 376 CB LYS A 24 13.068 14.742 -0.496 1.00 0.00 C ATOM 377 CG LYS A 24 13.714 15.403 0.740 1.00 0.00 C ATOM 378 CD LYS A 24 13.201 14.737 2.041 1.00 0.00 C ATOM 379 CE LYS A 24 14.309 14.742 3.104 1.00 0.00 C ATOM 380 NZ LYS A 24 13.714 14.491 4.447 1.00 0.00 N ATOM 0 H LYS A 24 13.492 12.411 -2.656 1.00 0.00 H new ATOM 0 HA LYS A 24 14.545 13.203 -0.122 1.00 0.00 H new ATOM 0 HB2 LYS A 24 13.242 15.360 -1.377 1.00 0.00 H new ATOM 0 HB3 LYS A 24 11.989 14.681 -0.358 1.00 0.00 H new ATOM 0 HG2 LYS A 24 14.799 15.314 0.682 1.00 0.00 H new ATOM 0 HG3 LYS A 24 13.482 16.468 0.753 1.00 0.00 H new ATOM 0 HD2 LYS A 24 12.326 15.271 2.413 1.00 0.00 H new ATOM 0 HD3 LYS A 24 12.886 13.714 1.836 1.00 0.00 H new ATOM 0 HE2 LYS A 24 15.050 13.977 2.875 1.00 0.00 H new ATOM 0 HE3 LYS A 24 14.828 15.700 3.098 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 14.466 14.495 5.166 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 13.023 15.237 4.665 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 13.238 13.566 4.449 1.00 0.00 H new ATOM 394 N HIS A 25 11.656 11.956 -1.157 1.00 0.00 N ATOM 395 CA HIS A 25 10.633 10.919 -0.794 1.00 0.00 C ATOM 396 C HIS A 25 10.409 9.946 -1.955 1.00 0.00 C ATOM 397 O HIS A 25 9.329 9.853 -2.503 1.00 0.00 O ATOM 398 CB HIS A 25 9.304 11.605 -0.448 1.00 0.00 C ATOM 399 CG HIS A 25 9.544 12.809 0.431 1.00 0.00 C ATOM 400 ND1 HIS A 25 8.908 14.022 0.206 1.00 0.00 N ATOM 401 CD2 HIS A 25 10.333 13.007 1.539 1.00 0.00 C ATOM 402 CE1 HIS A 25 9.323 14.886 1.148 1.00 0.00 C ATOM 403 NE2 HIS A 25 10.191 14.318 1.982 1.00 0.00 N ATOM 0 H HIS A 25 11.529 12.387 -2.073 1.00 0.00 H new ATOM 0 HA HIS A 25 11.000 10.361 0.067 1.00 0.00 H new ATOM 0 HB2 HIS A 25 8.797 11.911 -1.363 1.00 0.00 H new ATOM 0 HB3 HIS A 25 8.646 10.901 0.061 1.00 0.00 H new ATOM 0 HD1 HIS A 25 8.244 14.222 -0.542 1.00 0.00 H new ATOM 0 HD2 HIS A 25 10.966 12.260 1.995 1.00 0.00 H new ATOM 0 HE1 HIS A 25 8.994 15.912 1.219 1.00 0.00 H new ATOM 411 N LYS A 26 11.416 9.192 -2.305 1.00 0.00 N ATOM 412 CA LYS A 26 11.278 8.186 -3.396 1.00 0.00 C ATOM 413 C LYS A 26 12.121 6.975 -3.008 1.00 0.00 C ATOM 414 O LYS A 26 13.118 7.110 -2.328 1.00 0.00 O ATOM 415 CB LYS A 26 11.781 8.776 -4.712 1.00 0.00 C ATOM 416 CG LYS A 26 11.319 7.892 -5.870 1.00 0.00 C ATOM 417 CD LYS A 26 12.073 8.285 -7.137 1.00 0.00 C ATOM 418 CE LYS A 26 11.821 9.761 -7.456 1.00 0.00 C ATOM 419 NZ LYS A 26 12.107 10.008 -8.897 1.00 0.00 N ATOM 0 H LYS A 26 12.340 9.231 -1.875 1.00 0.00 H new ATOM 0 HA LYS A 26 10.235 7.900 -3.530 1.00 0.00 H new ATOM 0 HB2 LYS A 26 11.400 9.790 -4.839 1.00 0.00 H new ATOM 0 HB3 LYS A 26 12.869 8.843 -4.702 1.00 0.00 H new ATOM 0 HG2 LYS A 26 11.500 6.843 -5.636 1.00 0.00 H new ATOM 0 HG3 LYS A 26 10.246 8.004 -6.022 1.00 0.00 H new ATOM 0 HD2 LYS A 26 13.141 8.110 -7.005 1.00 0.00 H new ATOM 0 HD3 LYS A 26 11.749 7.663 -7.971 1.00 0.00 H new ATOM 0 HE2 LYS A 26 10.788 10.023 -7.228 1.00 0.00 H new ATOM 0 HE3 LYS A 26 12.455 10.393 -6.834 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 12.736 10.831 -8.990 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 12.569 9.171 -9.308 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 11.216 10.194 -9.401 1.00 0.00 H new ATOM 433 N LEU A 27 11.737 5.791 -3.414 1.00 0.00 N ATOM 434 CA LEU A 27 12.533 4.577 -3.032 1.00 0.00 C ATOM 435 C LEU A 27 13.490 4.169 -4.159 1.00 0.00 C ATOM 436 O LEU A 27 13.107 3.968 -5.294 1.00 0.00 O ATOM 437 CB LEU A 27 11.587 3.390 -2.734 1.00 0.00 C ATOM 438 CG LEU A 27 11.172 3.347 -1.243 1.00 0.00 C ATOM 439 CD1 LEU A 27 9.980 4.271 -1.006 1.00 0.00 C ATOM 440 CD2 LEU A 27 10.778 1.915 -0.880 1.00 0.00 C ATOM 0 H LEU A 27 10.914 5.610 -3.989 1.00 0.00 H new ATOM 0 HA LEU A 27 13.111 4.828 -2.143 1.00 0.00 H new ATOM 0 HB2 LEU A 27 10.696 3.470 -3.357 1.00 0.00 H new ATOM 0 HB3 LEU A 27 12.081 2.456 -3.001 1.00 0.00 H new ATOM 0 HG LEU A 27 12.007 3.676 -0.625 1.00 0.00 H new ATOM 0 HD11 LEU A 27 9.695 4.235 0.045 1.00 0.00 H new ATOM 0 HD12 LEU A 27 10.252 5.292 -1.273 1.00 0.00 H new ATOM 0 HD13 LEU A 27 9.141 3.947 -1.621 1.00 0.00 H new ATOM 0 HD21 LEU A 27 10.484 1.873 0.169 1.00 0.00 H new ATOM 0 HD22 LEU A 27 9.942 1.598 -1.504 1.00 0.00 H new ATOM 0 HD23 LEU A 27 11.627 1.251 -1.045 1.00 0.00 H new ATOM 452 N LYS A 28 14.728 3.987 -3.798 1.00 0.00 N ATOM 453 CA LYS A 28 15.762 3.517 -4.766 1.00 0.00 C ATOM 454 C LYS A 28 16.096 2.068 -4.405 1.00 0.00 C ATOM 455 O LYS A 28 15.863 1.641 -3.292 1.00 0.00 O ATOM 456 CB LYS A 28 17.013 4.396 -4.658 1.00 0.00 C ATOM 457 CG LYS A 28 16.598 5.846 -4.366 1.00 0.00 C ATOM 458 CD LYS A 28 17.692 6.809 -4.840 1.00 0.00 C ATOM 459 CE LYS A 28 19.064 6.378 -4.297 1.00 0.00 C ATOM 460 NZ LYS A 28 19.701 5.432 -5.253 1.00 0.00 N ATOM 0 H LYS A 28 15.076 4.147 -2.853 1.00 0.00 H new ATOM 0 HA LYS A 28 15.396 3.580 -5.791 1.00 0.00 H new ATOM 0 HB2 LYS A 28 17.663 4.026 -3.865 1.00 0.00 H new ATOM 0 HB3 LYS A 28 17.584 4.350 -5.585 1.00 0.00 H new ATOM 0 HG2 LYS A 28 15.659 6.073 -4.870 1.00 0.00 H new ATOM 0 HG3 LYS A 28 16.426 5.976 -3.298 1.00 0.00 H new ATOM 0 HD2 LYS A 28 17.717 6.832 -5.929 1.00 0.00 H new ATOM 0 HD3 LYS A 28 17.464 7.821 -4.505 1.00 0.00 H new ATOM 0 HE2 LYS A 28 19.701 7.251 -4.154 1.00 0.00 H new ATOM 0 HE3 LYS A 28 18.949 5.904 -3.322 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 19.615 4.461 -4.890 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 19.227 5.500 -6.176 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 20.707 5.673 -5.362 1.00 0.00 H new ATOM 474 N LYS A 29 16.621 1.301 -5.324 1.00 0.00 N ATOM 475 CA LYS A 29 16.942 -0.124 -5.001 1.00 0.00 C ATOM 476 C LYS A 29 17.654 -0.190 -3.639 1.00 0.00 C ATOM 477 O LYS A 29 17.304 -0.977 -2.781 1.00 0.00 O ATOM 478 CB LYS A 29 17.838 -0.714 -6.114 1.00 0.00 C ATOM 479 CG LYS A 29 17.549 -2.213 -6.303 1.00 0.00 C ATOM 480 CD LYS A 29 18.239 -2.718 -7.574 1.00 0.00 C ATOM 481 CE LYS A 29 19.731 -2.372 -7.537 1.00 0.00 C ATOM 482 NZ LYS A 29 20.468 -3.272 -8.467 1.00 0.00 N ATOM 0 H LYS A 29 16.840 1.594 -6.276 1.00 0.00 H new ATOM 0 HA LYS A 29 16.024 -0.709 -4.945 1.00 0.00 H new ATOM 0 HB2 LYS A 29 17.662 -0.183 -7.050 1.00 0.00 H new ATOM 0 HB3 LYS A 29 18.888 -0.570 -5.858 1.00 0.00 H new ATOM 0 HG2 LYS A 29 17.904 -2.773 -5.438 1.00 0.00 H new ATOM 0 HG3 LYS A 29 16.474 -2.380 -6.371 1.00 0.00 H new ATOM 0 HD2 LYS A 29 18.110 -3.797 -7.663 1.00 0.00 H new ATOM 0 HD3 LYS A 29 17.775 -2.268 -8.452 1.00 0.00 H new ATOM 0 HE2 LYS A 29 19.882 -1.331 -7.824 1.00 0.00 H new ATOM 0 HE3 LYS A 29 20.117 -2.483 -6.524 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 21.391 -3.517 -8.055 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 19.916 -4.140 -8.620 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 20.612 -2.789 -9.376 1.00 0.00 H new ATOM 496 N SER A 30 18.639 0.642 -3.432 1.00 0.00 N ATOM 497 CA SER A 30 19.359 0.638 -2.124 1.00 0.00 C ATOM 498 C SER A 30 18.336 0.664 -0.984 1.00 0.00 C ATOM 499 O SER A 30 18.649 0.377 0.150 1.00 0.00 O ATOM 500 CB SER A 30 20.255 1.875 -2.028 1.00 0.00 C ATOM 501 OG SER A 30 21.399 1.691 -2.852 1.00 0.00 O ATOM 0 H SER A 30 18.977 1.324 -4.111 1.00 0.00 H new ATOM 0 HA SER A 30 19.972 -0.260 -2.049 1.00 0.00 H new ATOM 0 HB2 SER A 30 19.705 2.762 -2.342 1.00 0.00 H new ATOM 0 HB3 SER A 30 20.560 2.038 -0.994 1.00 0.00 H new ATOM 0 HG SER A 30 21.974 2.482 -2.794 1.00 0.00 H new ATOM 507 N GLU A 31 17.106 0.987 -1.286 1.00 0.00 N ATOM 508 CA GLU A 31 16.049 1.018 -0.230 1.00 0.00 C ATOM 509 C GLU A 31 15.252 -0.272 -0.296 1.00 0.00 C ATOM 510 O GLU A 31 14.941 -0.872 0.708 1.00 0.00 O ATOM 511 CB GLU A 31 15.118 2.213 -0.466 1.00 0.00 C ATOM 512 CG GLU A 31 15.949 3.494 -0.607 1.00 0.00 C ATOM 513 CD GLU A 31 15.055 4.724 -0.418 1.00 0.00 C ATOM 514 OE1 GLU A 31 14.000 4.585 0.179 1.00 0.00 O ATOM 515 OE2 GLU A 31 15.443 5.786 -0.874 1.00 0.00 O ATOM 0 H GLU A 31 16.786 1.232 -2.223 1.00 0.00 H new ATOM 0 HA GLU A 31 16.511 1.117 0.752 1.00 0.00 H new ATOM 0 HB2 GLU A 31 14.524 2.052 -1.366 1.00 0.00 H new ATOM 0 HB3 GLU A 31 14.418 2.311 0.364 1.00 0.00 H new ATOM 0 HG2 GLU A 31 16.750 3.500 0.132 1.00 0.00 H new ATOM 0 HG3 GLU A 31 16.421 3.525 -1.589 1.00 0.00 H new ATOM 522 N LEU A 32 14.921 -0.711 -1.468 1.00 0.00 N ATOM 523 CA LEU A 32 14.139 -1.964 -1.579 1.00 0.00 C ATOM 524 C LEU A 32 14.942 -3.123 -0.970 1.00 0.00 C ATOM 525 O LEU A 32 14.447 -3.851 -0.138 1.00 0.00 O ATOM 526 CB LEU A 32 13.810 -2.229 -3.066 1.00 0.00 C ATOM 527 CG LEU A 32 12.376 -2.769 -3.219 1.00 0.00 C ATOM 528 CD1 LEU A 32 12.004 -2.860 -4.711 1.00 0.00 C ATOM 529 CD2 LEU A 32 12.278 -4.152 -2.561 1.00 0.00 C ATOM 0 H LEU A 32 15.156 -0.260 -2.352 1.00 0.00 H new ATOM 0 HA LEU A 32 13.201 -1.874 -1.030 1.00 0.00 H new ATOM 0 HB2 LEU A 32 13.920 -1.307 -3.638 1.00 0.00 H new ATOM 0 HB3 LEU A 32 14.520 -2.946 -3.478 1.00 0.00 H new ATOM 0 HG LEU A 32 11.679 -2.090 -2.728 1.00 0.00 H new ATOM 0 HD11 LEU A 32 10.988 -3.243 -4.810 1.00 0.00 H new ATOM 0 HD12 LEU A 32 12.064 -1.870 -5.162 1.00 0.00 H new ATOM 0 HD13 LEU A 32 12.696 -3.532 -5.218 1.00 0.00 H new ATOM 0 HD21 LEU A 32 11.263 -4.535 -2.669 1.00 0.00 H new ATOM 0 HD22 LEU A 32 12.977 -4.835 -3.044 1.00 0.00 H new ATOM 0 HD23 LEU A 32 12.524 -4.070 -1.502 1.00 0.00 H new ATOM 541 N LYS A 33 16.172 -3.294 -1.368 1.00 0.00 N ATOM 542 CA LYS A 33 16.995 -4.393 -0.803 1.00 0.00 C ATOM 543 C LYS A 33 17.269 -4.121 0.681 1.00 0.00 C ATOM 544 O LYS A 33 17.329 -5.027 1.488 1.00 0.00 O ATOM 545 CB LYS A 33 18.308 -4.436 -1.582 1.00 0.00 C ATOM 546 CG LYS A 33 18.990 -5.800 -1.425 1.00 0.00 C ATOM 547 CD LYS A 33 20.462 -5.684 -1.872 1.00 0.00 C ATOM 548 CE LYS A 33 21.352 -5.340 -0.673 1.00 0.00 C ATOM 549 NZ LYS A 33 21.521 -6.551 0.178 1.00 0.00 N ATOM 0 H LYS A 33 16.642 -2.715 -2.064 1.00 0.00 H new ATOM 0 HA LYS A 33 16.475 -5.348 -0.886 1.00 0.00 H new ATOM 0 HB2 LYS A 33 18.117 -4.239 -2.637 1.00 0.00 H new ATOM 0 HB3 LYS A 33 18.973 -3.649 -1.226 1.00 0.00 H new ATOM 0 HG2 LYS A 33 18.937 -6.129 -0.387 1.00 0.00 H new ATOM 0 HG3 LYS A 33 18.473 -6.550 -2.024 1.00 0.00 H new ATOM 0 HD2 LYS A 33 20.789 -6.622 -2.320 1.00 0.00 H new ATOM 0 HD3 LYS A 33 20.558 -4.915 -2.638 1.00 0.00 H new ATOM 0 HE2 LYS A 33 22.323 -4.984 -1.017 1.00 0.00 H new ATOM 0 HE3 LYS A 33 20.904 -4.533 -0.093 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 22.352 -6.431 0.791 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 20.673 -6.683 0.766 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 21.655 -7.385 -0.428 1.00 0.00 H new ATOM 563 N GLU A 34 17.458 -2.880 1.045 1.00 0.00 N ATOM 564 CA GLU A 34 17.746 -2.577 2.483 1.00 0.00 C ATOM 565 C GLU A 34 16.448 -2.592 3.283 1.00 0.00 C ATOM 566 O GLU A 34 16.432 -2.915 4.454 1.00 0.00 O ATOM 567 CB GLU A 34 18.408 -1.203 2.618 1.00 0.00 C ATOM 568 CG GLU A 34 19.798 -1.234 1.980 1.00 0.00 C ATOM 569 CD GLU A 34 20.428 0.159 2.049 1.00 0.00 C ATOM 570 OE1 GLU A 34 20.372 0.762 3.109 1.00 0.00 O ATOM 571 OE2 GLU A 34 20.953 0.601 1.041 1.00 0.00 O ATOM 0 H GLU A 34 17.427 -2.073 0.422 1.00 0.00 H new ATOM 0 HA GLU A 34 18.425 -3.338 2.869 1.00 0.00 H new ATOM 0 HB2 GLU A 34 17.793 -0.444 2.135 1.00 0.00 H new ATOM 0 HB3 GLU A 34 18.486 -0.928 3.670 1.00 0.00 H new ATOM 0 HG2 GLU A 34 20.430 -1.956 2.497 1.00 0.00 H new ATOM 0 HG3 GLU A 34 19.725 -1.560 0.942 1.00 0.00 H new ATOM 578 N LEU A 35 15.363 -2.238 2.664 1.00 0.00 N ATOM 579 CA LEU A 35 14.066 -2.220 3.387 1.00 0.00 C ATOM 580 C LEU A 35 13.593 -3.658 3.661 1.00 0.00 C ATOM 581 O LEU A 35 12.979 -3.927 4.674 1.00 0.00 O ATOM 582 CB LEU A 35 13.040 -1.472 2.526 1.00 0.00 C ATOM 583 CG LEU A 35 11.673 -1.415 3.230 1.00 0.00 C ATOM 584 CD1 LEU A 35 11.714 -0.418 4.394 1.00 0.00 C ATOM 585 CD2 LEU A 35 10.607 -0.972 2.226 1.00 0.00 C ATOM 0 H LEU A 35 15.317 -1.959 1.684 1.00 0.00 H new ATOM 0 HA LEU A 35 14.179 -1.714 4.346 1.00 0.00 H new ATOM 0 HB2 LEU A 35 13.394 -0.460 2.327 1.00 0.00 H new ATOM 0 HB3 LEU A 35 12.937 -1.969 1.561 1.00 0.00 H new ATOM 0 HG LEU A 35 11.434 -2.405 3.619 1.00 0.00 H new ATOM 0 HD11 LEU A 35 10.740 -0.389 4.882 1.00 0.00 H new ATOM 0 HD12 LEU A 35 12.471 -0.730 5.113 1.00 0.00 H new ATOM 0 HD13 LEU A 35 11.960 0.574 4.015 1.00 0.00 H new ATOM 0 HD21 LEU A 35 9.636 -0.930 2.720 1.00 0.00 H new ATOM 0 HD22 LEU A 35 10.860 0.015 1.839 1.00 0.00 H new ATOM 0 HD23 LEU A 35 10.564 -1.685 1.402 1.00 0.00 H new ATOM 597 N ILE A 36 13.863 -4.584 2.777 1.00 0.00 N ATOM 598 CA ILE A 36 13.405 -5.991 3.022 1.00 0.00 C ATOM 599 C ILE A 36 14.348 -6.670 4.014 1.00 0.00 C ATOM 600 O ILE A 36 13.941 -7.497 4.807 1.00 0.00 O ATOM 601 CB ILE A 36 13.393 -6.795 1.717 1.00 0.00 C ATOM 602 CG1 ILE A 36 14.778 -6.723 1.056 1.00 0.00 C ATOM 603 CG2 ILE A 36 12.326 -6.229 0.777 1.00 0.00 C ATOM 604 CD1 ILE A 36 14.705 -7.199 -0.399 1.00 0.00 C ATOM 0 H ILE A 36 14.373 -4.434 1.907 1.00 0.00 H new ATOM 0 HA ILE A 36 12.393 -5.957 3.426 1.00 0.00 H new ATOM 0 HB ILE A 36 13.158 -7.838 1.931 1.00 0.00 H new ATOM 0 HG12 ILE A 36 15.151 -5.700 1.091 1.00 0.00 H new ATOM 0 HG13 ILE A 36 15.485 -7.340 1.611 1.00 0.00 H new ATOM 0 HG21 ILE A 36 12.318 -6.801 -0.151 1.00 0.00 H new ATOM 0 HG22 ILE A 36 11.348 -6.297 1.254 1.00 0.00 H new ATOM 0 HG23 ILE A 36 12.551 -5.185 0.558 1.00 0.00 H new ATOM 0 HD11 ILE A 36 15.695 -7.141 -0.851 1.00 0.00 H new ATOM 0 HD12 ILE A 36 14.353 -8.230 -0.427 1.00 0.00 H new ATOM 0 HD13 ILE A 36 14.015 -6.565 -0.955 1.00 0.00 H new ATOM 616 N ASN A 37 15.602 -6.328 3.976 1.00 0.00 N ATOM 617 CA ASN A 37 16.578 -6.953 4.915 1.00 0.00 C ATOM 618 C ASN A 37 16.465 -6.295 6.297 1.00 0.00 C ATOM 619 O ASN A 37 16.877 -6.850 7.296 1.00 0.00 O ATOM 620 CB ASN A 37 17.993 -6.760 4.369 1.00 0.00 C ATOM 621 CG ASN A 37 19.010 -7.316 5.366 1.00 0.00 C ATOM 622 OD1 ASN A 37 18.849 -8.408 5.873 1.00 0.00 O ATOM 623 ND2 ASN A 37 20.060 -6.604 5.671 1.00 0.00 N ATOM 0 H ASN A 37 15.998 -5.641 3.334 1.00 0.00 H new ATOM 0 HA ASN A 37 16.362 -8.017 5.009 1.00 0.00 H new ATOM 0 HB2 ASN A 37 18.095 -7.267 3.410 1.00 0.00 H new ATOM 0 HB3 ASN A 37 18.184 -5.701 4.192 1.00 0.00 H new ATOM 0 HD21 ASN A 37 20.745 -6.964 6.335 1.00 0.00 H new ATOM 0 HD22 ASN A 37 20.196 -5.687 5.245 1.00 0.00 H new ATOM 630 N ASN A 38 15.954 -5.093 6.351 1.00 0.00 N ATOM 631 CA ASN A 38 15.854 -4.372 7.662 1.00 0.00 C ATOM 632 C ASN A 38 14.455 -4.497 8.276 1.00 0.00 C ATOM 633 O ASN A 38 14.323 -4.699 9.468 1.00 0.00 O ATOM 634 CB ASN A 38 16.167 -2.893 7.437 1.00 0.00 C ATOM 635 CG ASN A 38 17.638 -2.736 7.047 1.00 0.00 C ATOM 636 OD1 ASN A 38 18.423 -3.646 7.221 1.00 0.00 O ATOM 637 ND2 ASN A 38 18.046 -1.612 6.523 1.00 0.00 N ATOM 0 H ASN A 38 15.601 -4.576 5.546 1.00 0.00 H new ATOM 0 HA ASN A 38 16.567 -4.823 8.352 1.00 0.00 H new ATOM 0 HB2 ASN A 38 15.527 -2.490 6.652 1.00 0.00 H new ATOM 0 HB3 ASN A 38 15.957 -2.324 8.343 1.00 0.00 H new ATOM 0 HD21 ASN A 38 19.025 -1.498 6.259 1.00 0.00 H new ATOM 0 HD22 ASN A 38 17.386 -0.848 6.377 1.00 0.00 H new ATOM 644 N GLU A 39 13.412 -4.364 7.496 1.00 0.00 N ATOM 645 CA GLU A 39 12.025 -4.456 8.066 1.00 0.00 C ATOM 646 C GLU A 39 11.376 -5.786 7.685 1.00 0.00 C ATOM 647 O GLU A 39 11.122 -6.624 8.528 1.00 0.00 O ATOM 648 CB GLU A 39 11.185 -3.307 7.510 1.00 0.00 C ATOM 649 CG GLU A 39 11.778 -1.975 7.975 1.00 0.00 C ATOM 650 CD GLU A 39 11.496 -1.781 9.466 1.00 0.00 C ATOM 651 OE1 GLU A 39 12.278 -2.270 10.265 1.00 0.00 O ATOM 652 OE2 GLU A 39 10.504 -1.148 9.783 1.00 0.00 O ATOM 0 H GLU A 39 13.456 -4.196 6.491 1.00 0.00 H new ATOM 0 HA GLU A 39 12.081 -4.393 9.153 1.00 0.00 H new ATOM 0 HB2 GLU A 39 11.166 -3.349 6.421 1.00 0.00 H new ATOM 0 HB3 GLU A 39 10.154 -3.398 7.851 1.00 0.00 H new ATOM 0 HG2 GLU A 39 12.853 -1.960 7.793 1.00 0.00 H new ATOM 0 HG3 GLU A 39 11.346 -1.154 7.403 1.00 0.00 H new ATOM 659 N LEU A 40 11.088 -5.983 6.432 1.00 0.00 N ATOM 660 CA LEU A 40 10.437 -7.256 6.017 1.00 0.00 C ATOM 661 C LEU A 40 11.465 -8.393 6.056 1.00 0.00 C ATOM 662 O LEU A 40 11.436 -9.292 5.240 1.00 0.00 O ATOM 663 CB LEU A 40 9.857 -7.104 4.597 1.00 0.00 C ATOM 664 CG LEU A 40 9.432 -5.647 4.336 1.00 0.00 C ATOM 665 CD1 LEU A 40 8.682 -5.584 3.000 1.00 0.00 C ATOM 666 CD2 LEU A 40 8.513 -5.135 5.466 1.00 0.00 C ATOM 0 H LEU A 40 11.274 -5.321 5.678 1.00 0.00 H new ATOM 0 HA LEU A 40 9.624 -7.492 6.703 1.00 0.00 H new ATOM 0 HB2 LEU A 40 10.601 -7.409 3.861 1.00 0.00 H new ATOM 0 HB3 LEU A 40 8.999 -7.766 4.476 1.00 0.00 H new ATOM 0 HG LEU A 40 10.321 -5.017 4.303 1.00 0.00 H new ATOM 0 HD11 LEU A 40 8.375 -4.557 2.803 1.00 0.00 H new ATOM 0 HD12 LEU A 40 9.337 -5.927 2.199 1.00 0.00 H new ATOM 0 HD13 LEU A 40 7.800 -6.223 3.047 1.00 0.00 H new ATOM 0 HD21 LEU A 40 8.225 -4.104 5.261 1.00 0.00 H new ATOM 0 HD22 LEU A 40 7.620 -5.758 5.519 1.00 0.00 H new ATOM 0 HD23 LEU A 40 9.045 -5.181 6.416 1.00 0.00 H new ATOM 678 N SER A 41 12.374 -8.364 7.000 1.00 0.00 N ATOM 679 CA SER A 41 13.396 -9.448 7.089 1.00 0.00 C ATOM 680 C SER A 41 12.851 -10.611 7.923 1.00 0.00 C ATOM 681 O SER A 41 13.326 -11.725 7.832 1.00 0.00 O ATOM 682 CB SER A 41 14.655 -8.896 7.763 1.00 0.00 C ATOM 683 OG SER A 41 15.289 -9.927 8.512 1.00 0.00 O ATOM 0 H SER A 41 12.451 -7.637 7.711 1.00 0.00 H new ATOM 0 HA SER A 41 13.633 -9.803 6.086 1.00 0.00 H new ATOM 0 HB2 SER A 41 15.340 -8.506 7.011 1.00 0.00 H new ATOM 0 HB3 SER A 41 14.394 -8.065 8.418 1.00 0.00 H new ATOM 0 HG SER A 41 15.849 -10.467 7.916 1.00 0.00 H new ATOM 689 N HIS A 42 11.862 -10.363 8.739 1.00 0.00 N ATOM 690 CA HIS A 42 11.300 -11.459 9.580 1.00 0.00 C ATOM 691 C HIS A 42 10.298 -12.261 8.752 1.00 0.00 C ATOM 692 O HIS A 42 10.020 -13.409 9.041 1.00 0.00 O ATOM 693 CB HIS A 42 10.602 -10.855 10.799 1.00 0.00 C ATOM 694 CG HIS A 42 11.623 -10.176 11.669 1.00 0.00 C ATOM 695 ND1 HIS A 42 12.563 -10.889 12.402 1.00 0.00 N ATOM 696 CD2 HIS A 42 11.875 -8.850 11.928 1.00 0.00 C ATOM 697 CE1 HIS A 42 13.328 -9.997 13.059 1.00 0.00 C ATOM 698 NE2 HIS A 42 12.949 -8.744 12.804 1.00 0.00 N ATOM 0 H HIS A 42 11.420 -9.452 8.859 1.00 0.00 H new ATOM 0 HA HIS A 42 12.101 -12.117 9.916 1.00 0.00 H new ATOM 0 HB2 HIS A 42 9.844 -10.139 10.481 1.00 0.00 H new ATOM 0 HB3 HIS A 42 10.088 -11.634 11.362 1.00 0.00 H new ATOM 0 HD2 HIS A 42 11.324 -8.019 11.515 1.00 0.00 H new ATOM 0 HE1 HIS A 42 14.147 -10.263 13.711 1.00 0.00 H new ATOM 0 HE2 HIS A 42 13.361 -7.887 13.174 1.00 0.00 H new ATOM 707 N PHE A 43 9.764 -11.665 7.716 1.00 0.00 N ATOM 708 CA PHE A 43 8.784 -12.376 6.836 1.00 0.00 C ATOM 709 C PHE A 43 9.403 -12.556 5.454 1.00 0.00 C ATOM 710 O PHE A 43 9.330 -13.614 4.861 1.00 0.00 O ATOM 711 CB PHE A 43 7.509 -11.540 6.703 1.00 0.00 C ATOM 712 CG PHE A 43 6.931 -11.264 8.070 1.00 0.00 C ATOM 713 CD1 PHE A 43 6.011 -12.155 8.635 1.00 0.00 C ATOM 714 CD2 PHE A 43 7.309 -10.112 8.769 1.00 0.00 C ATOM 715 CE1 PHE A 43 5.471 -11.896 9.899 1.00 0.00 C ATOM 716 CE2 PHE A 43 6.768 -9.852 10.034 1.00 0.00 C ATOM 717 CZ PHE A 43 5.849 -10.743 10.599 1.00 0.00 C ATOM 0 H PHE A 43 9.967 -10.705 7.438 1.00 0.00 H new ATOM 0 HA PHE A 43 8.540 -13.345 7.271 1.00 0.00 H new ATOM 0 HB2 PHE A 43 7.731 -10.601 6.196 1.00 0.00 H new ATOM 0 HB3 PHE A 43 6.779 -12.069 6.090 1.00 0.00 H new ATOM 0 HD1 PHE A 43 5.718 -13.043 8.095 1.00 0.00 H new ATOM 0 HD2 PHE A 43 8.018 -9.424 8.333 1.00 0.00 H new ATOM 0 HE1 PHE A 43 4.763 -12.585 10.335 1.00 0.00 H new ATOM 0 HE2 PHE A 43 7.060 -8.963 10.574 1.00 0.00 H new ATOM 0 HZ PHE A 43 5.431 -10.542 11.574 1.00 0.00 H new ATOM 727 N LEU A 44 10.014 -11.524 4.930 1.00 0.00 N ATOM 728 CA LEU A 44 10.638 -11.627 3.579 1.00 0.00 C ATOM 729 C LEU A 44 12.095 -12.082 3.729 1.00 0.00 C ATOM 730 O LEU A 44 12.824 -11.597 4.572 1.00 0.00 O ATOM 731 CB LEU A 44 10.570 -10.245 2.878 1.00 0.00 C ATOM 732 CG LEU A 44 10.140 -10.406 1.404 1.00 0.00 C ATOM 733 CD1 LEU A 44 8.618 -10.551 1.317 1.00 0.00 C ATOM 734 CD2 LEU A 44 10.569 -9.173 0.603 1.00 0.00 C ATOM 0 H LEU A 44 10.107 -10.614 5.381 1.00 0.00 H new ATOM 0 HA LEU A 44 10.101 -12.357 2.972 1.00 0.00 H new ATOM 0 HB2 LEU A 44 9.863 -9.600 3.401 1.00 0.00 H new ATOM 0 HB3 LEU A 44 11.544 -9.757 2.928 1.00 0.00 H new ATOM 0 HG LEU A 44 10.616 -11.297 0.994 1.00 0.00 H new ATOM 0 HD11 LEU A 44 8.322 -10.664 0.274 1.00 0.00 H new ATOM 0 HD12 LEU A 44 8.303 -11.429 1.881 1.00 0.00 H new ATOM 0 HD13 LEU A 44 8.143 -9.663 1.734 1.00 0.00 H new ATOM 0 HD21 LEU A 44 10.264 -9.290 -0.437 1.00 0.00 H new ATOM 0 HD22 LEU A 44 10.096 -8.285 1.022 1.00 0.00 H new ATOM 0 HD23 LEU A 44 11.653 -9.065 0.653 1.00 0.00 H new ATOM 746 N GLU A 45 12.523 -13.008 2.916 1.00 0.00 N ATOM 747 CA GLU A 45 13.928 -13.493 3.010 1.00 0.00 C ATOM 748 C GLU A 45 14.879 -12.386 2.548 1.00 0.00 C ATOM 749 O GLU A 45 14.593 -11.656 1.621 1.00 0.00 O ATOM 750 CB GLU A 45 14.106 -14.725 2.116 1.00 0.00 C ATOM 751 CG GLU A 45 13.468 -15.947 2.785 1.00 0.00 C ATOM 752 CD GLU A 45 13.818 -17.204 1.989 1.00 0.00 C ATOM 753 OE1 GLU A 45 14.812 -17.175 1.280 1.00 0.00 O ATOM 754 OE2 GLU A 45 13.089 -18.175 2.101 1.00 0.00 O ATOM 0 H GLU A 45 11.959 -13.450 2.190 1.00 0.00 H new ATOM 0 HA GLU A 45 14.152 -13.760 4.043 1.00 0.00 H new ATOM 0 HB2 GLU A 45 13.646 -14.550 1.143 1.00 0.00 H new ATOM 0 HB3 GLU A 45 15.166 -14.908 1.939 1.00 0.00 H new ATOM 0 HG2 GLU A 45 13.825 -16.042 3.810 1.00 0.00 H new ATOM 0 HG3 GLU A 45 12.386 -15.824 2.835 1.00 0.00 H new ATOM 761 N GLU A 46 16.009 -12.258 3.188 1.00 0.00 N ATOM 762 CA GLU A 46 16.977 -11.197 2.780 1.00 0.00 C ATOM 763 C GLU A 46 17.606 -11.598 1.437 1.00 0.00 C ATOM 764 O GLU A 46 18.359 -12.547 1.354 1.00 0.00 O ATOM 765 CB GLU A 46 18.077 -11.017 3.869 1.00 0.00 C ATOM 766 CG GLU A 46 17.823 -11.949 5.063 1.00 0.00 C ATOM 767 CD GLU A 46 16.485 -11.601 5.718 1.00 0.00 C ATOM 768 OE1 GLU A 46 16.322 -10.460 6.115 1.00 0.00 O ATOM 769 OE2 GLU A 46 15.645 -12.481 5.812 1.00 0.00 O ATOM 0 H GLU A 46 16.304 -12.839 3.973 1.00 0.00 H new ATOM 0 HA GLU A 46 16.458 -10.245 2.671 1.00 0.00 H new ATOM 0 HB2 GLU A 46 19.057 -11.227 3.440 1.00 0.00 H new ATOM 0 HB3 GLU A 46 18.093 -9.981 4.208 1.00 0.00 H new ATOM 0 HG2 GLU A 46 17.816 -12.987 4.731 1.00 0.00 H new ATOM 0 HG3 GLU A 46 18.630 -11.852 5.789 1.00 0.00 H new ATOM 776 N ILE A 47 17.293 -10.889 0.382 1.00 0.00 N ATOM 777 CA ILE A 47 17.866 -11.248 -0.950 1.00 0.00 C ATOM 778 C ILE A 47 19.331 -10.803 -1.035 1.00 0.00 C ATOM 779 O ILE A 47 19.656 -9.656 -0.797 1.00 0.00 O ATOM 780 CB ILE A 47 17.036 -10.583 -2.079 1.00 0.00 C ATOM 781 CG1 ILE A 47 17.518 -9.132 -2.344 1.00 0.00 C ATOM 782 CG2 ILE A 47 15.561 -10.572 -1.667 1.00 0.00 C ATOM 783 CD1 ILE A 47 16.562 -8.399 -3.303 1.00 0.00 C ATOM 0 H ILE A 47 16.669 -10.082 0.385 1.00 0.00 H new ATOM 0 HA ILE A 47 17.825 -12.330 -1.072 1.00 0.00 H new ATOM 0 HB ILE A 47 17.167 -11.154 -2.998 1.00 0.00 H new ATOM 0 HG12 ILE A 47 17.581 -8.588 -1.401 1.00 0.00 H new ATOM 0 HG13 ILE A 47 18.522 -9.150 -2.769 1.00 0.00 H new ATOM 0 HG21 ILE A 47 14.967 -10.106 -2.453 1.00 0.00 H new ATOM 0 HG22 ILE A 47 15.219 -11.595 -1.511 1.00 0.00 H new ATOM 0 HG23 ILE A 47 15.446 -10.006 -0.742 1.00 0.00 H new ATOM 0 HD11 ILE A 47 16.923 -7.384 -3.472 1.00 0.00 H new ATOM 0 HD12 ILE A 47 16.520 -8.932 -4.253 1.00 0.00 H new ATOM 0 HD13 ILE A 47 15.565 -8.361 -2.864 1.00 0.00 H new ATOM 795 N LYS A 48 20.210 -11.689 -1.420 1.00 0.00 N ATOM 796 CA LYS A 48 21.644 -11.304 -1.575 1.00 0.00 C ATOM 797 C LYS A 48 21.838 -10.892 -3.032 1.00 0.00 C ATOM 798 O LYS A 48 22.871 -10.384 -3.425 1.00 0.00 O ATOM 799 CB LYS A 48 22.543 -12.503 -1.255 1.00 0.00 C ATOM 800 CG LYS A 48 22.409 -12.864 0.226 1.00 0.00 C ATOM 801 CD LYS A 48 22.991 -14.260 0.469 1.00 0.00 C ATOM 802 CE LYS A 48 24.472 -14.284 0.079 1.00 0.00 C ATOM 803 NZ LYS A 48 25.145 -13.052 0.580 1.00 0.00 N ATOM 0 H LYS A 48 19.998 -12.663 -1.634 1.00 0.00 H new ATOM 0 HA LYS A 48 21.905 -10.491 -0.898 1.00 0.00 H new ATOM 0 HB2 LYS A 48 22.264 -13.355 -1.874 1.00 0.00 H new ATOM 0 HB3 LYS A 48 23.581 -12.265 -1.489 1.00 0.00 H new ATOM 0 HG2 LYS A 48 22.932 -12.129 0.839 1.00 0.00 H new ATOM 0 HG3 LYS A 48 21.361 -12.839 0.523 1.00 0.00 H new ATOM 0 HD2 LYS A 48 22.878 -14.533 1.518 1.00 0.00 H new ATOM 0 HD3 LYS A 48 22.441 -14.999 -0.113 1.00 0.00 H new ATOM 0 HE2 LYS A 48 24.953 -15.168 0.497 1.00 0.00 H new ATOM 0 HE3 LYS A 48 24.571 -14.349 -1.005 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 26.164 -13.232 0.688 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 25.000 -12.277 -0.098 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 24.741 -12.786 1.501 1.00 0.00 H new ATOM 817 N GLU A 49 20.824 -11.116 -3.830 1.00 0.00 N ATOM 818 CA GLU A 49 20.875 -10.760 -5.282 1.00 0.00 C ATOM 819 C GLU A 49 19.710 -9.827 -5.601 1.00 0.00 C ATOM 820 O GLU A 49 18.583 -10.075 -5.224 1.00 0.00 O ATOM 821 CB GLU A 49 20.740 -12.029 -6.132 1.00 0.00 C ATOM 822 CG GLU A 49 21.711 -13.099 -5.628 1.00 0.00 C ATOM 823 CD GLU A 49 21.501 -14.391 -6.421 1.00 0.00 C ATOM 824 OE1 GLU A 49 20.478 -15.026 -6.221 1.00 0.00 O ATOM 825 OE2 GLU A 49 22.365 -14.723 -7.214 1.00 0.00 O ATOM 0 H GLU A 49 19.946 -11.539 -3.530 1.00 0.00 H new ATOM 0 HA GLU A 49 21.824 -10.273 -5.504 1.00 0.00 H new ATOM 0 HB2 GLU A 49 19.717 -12.402 -6.084 1.00 0.00 H new ATOM 0 HB3 GLU A 49 20.947 -11.801 -7.177 1.00 0.00 H new ATOM 0 HG2 GLU A 49 22.739 -12.754 -5.739 1.00 0.00 H new ATOM 0 HG3 GLU A 49 21.549 -13.281 -4.566 1.00 0.00 H new ATOM 832 N GLN A 50 19.968 -8.760 -6.297 1.00 0.00 N ATOM 833 CA GLN A 50 18.869 -7.819 -6.642 1.00 0.00 C ATOM 834 C GLN A 50 18.000 -8.448 -7.742 1.00 0.00 C ATOM 835 O GLN A 50 16.921 -7.977 -8.042 1.00 0.00 O ATOM 836 CB GLN A 50 19.471 -6.486 -7.138 1.00 0.00 C ATOM 837 CG GLN A 50 20.858 -6.730 -7.753 1.00 0.00 C ATOM 838 CD GLN A 50 20.798 -7.902 -8.738 1.00 0.00 C ATOM 839 OE1 GLN A 50 21.276 -8.980 -8.445 1.00 0.00 O ATOM 840 NE2 GLN A 50 20.229 -7.734 -9.899 1.00 0.00 N ATOM 0 H GLN A 50 20.891 -8.497 -6.642 1.00 0.00 H new ATOM 0 HA GLN A 50 18.254 -7.624 -5.763 1.00 0.00 H new ATOM 0 HB2 GLN A 50 18.811 -6.033 -7.878 1.00 0.00 H new ATOM 0 HB3 GLN A 50 19.551 -5.783 -6.309 1.00 0.00 H new ATOM 0 HG2 GLN A 50 21.200 -5.831 -8.266 1.00 0.00 H new ATOM 0 HG3 GLN A 50 21.581 -6.943 -6.966 1.00 0.00 H new ATOM 0 HE21 GLN A 50 19.828 -6.829 -10.144 1.00 0.00 H new ATOM 0 HE22 GLN A 50 20.185 -8.508 -10.562 1.00 0.00 H new ATOM 849 N GLU A 51 18.487 -9.489 -8.359 1.00 0.00 N ATOM 850 CA GLU A 51 17.741 -10.154 -9.466 1.00 0.00 C ATOM 851 C GLU A 51 16.246 -10.221 -9.192 1.00 0.00 C ATOM 852 O GLU A 51 15.449 -9.862 -10.034 1.00 0.00 O ATOM 853 CB GLU A 51 18.287 -11.570 -9.665 1.00 0.00 C ATOM 854 CG GLU A 51 17.622 -12.210 -10.885 1.00 0.00 C ATOM 855 CD GLU A 51 18.318 -13.533 -11.208 1.00 0.00 C ATOM 856 OE1 GLU A 51 18.274 -14.422 -10.372 1.00 0.00 O ATOM 857 OE2 GLU A 51 18.886 -13.636 -12.283 1.00 0.00 O ATOM 0 H GLU A 51 19.387 -9.915 -8.139 1.00 0.00 H new ATOM 0 HA GLU A 51 17.884 -9.559 -10.368 1.00 0.00 H new ATOM 0 HB2 GLU A 51 19.368 -11.538 -9.802 1.00 0.00 H new ATOM 0 HB3 GLU A 51 18.096 -12.172 -8.777 1.00 0.00 H new ATOM 0 HG2 GLU A 51 16.564 -12.382 -10.688 1.00 0.00 H new ATOM 0 HG3 GLU A 51 17.682 -11.537 -11.740 1.00 0.00 H new ATOM 864 N VAL A 52 15.837 -10.661 -8.043 1.00 0.00 N ATOM 865 CA VAL A 52 14.375 -10.712 -7.789 1.00 0.00 C ATOM 866 C VAL A 52 13.881 -9.289 -7.630 1.00 0.00 C ATOM 867 O VAL A 52 12.793 -8.942 -8.046 1.00 0.00 O ATOM 868 CB VAL A 52 14.071 -11.521 -6.524 1.00 0.00 C ATOM 869 CG1 VAL A 52 14.648 -12.931 -6.665 1.00 0.00 C ATOM 870 CG2 VAL A 52 14.706 -10.835 -5.314 1.00 0.00 C ATOM 0 H VAL A 52 16.435 -10.982 -7.282 1.00 0.00 H new ATOM 0 HA VAL A 52 13.870 -11.201 -8.622 1.00 0.00 H new ATOM 0 HB VAL A 52 12.991 -11.581 -6.386 1.00 0.00 H new ATOM 0 HG11 VAL A 52 14.431 -13.505 -5.764 1.00 0.00 H new ATOM 0 HG12 VAL A 52 14.198 -13.424 -7.527 1.00 0.00 H new ATOM 0 HG13 VAL A 52 15.727 -12.870 -6.805 1.00 0.00 H new ATOM 0 HG21 VAL A 52 14.490 -11.411 -4.414 1.00 0.00 H new ATOM 0 HG22 VAL A 52 15.785 -10.774 -5.455 1.00 0.00 H new ATOM 0 HG23 VAL A 52 14.297 -9.830 -5.209 1.00 0.00 H new ATOM 880 N VAL A 53 14.682 -8.457 -7.047 1.00 0.00 N ATOM 881 CA VAL A 53 14.276 -7.046 -6.876 1.00 0.00 C ATOM 882 C VAL A 53 14.199 -6.428 -8.271 1.00 0.00 C ATOM 883 O VAL A 53 13.491 -5.472 -8.501 1.00 0.00 O ATOM 884 CB VAL A 53 15.296 -6.326 -5.944 1.00 0.00 C ATOM 885 CG1 VAL A 53 16.022 -5.178 -6.663 1.00 0.00 C ATOM 886 CG2 VAL A 53 14.580 -5.762 -4.710 1.00 0.00 C ATOM 0 H VAL A 53 15.604 -8.693 -6.680 1.00 0.00 H new ATOM 0 HA VAL A 53 13.301 -6.948 -6.398 1.00 0.00 H new ATOM 0 HB VAL A 53 16.035 -7.069 -5.646 1.00 0.00 H new ATOM 0 HG11 VAL A 53 16.723 -4.704 -5.976 1.00 0.00 H new ATOM 0 HG12 VAL A 53 16.565 -5.572 -7.522 1.00 0.00 H new ATOM 0 HG13 VAL A 53 15.293 -4.442 -7.002 1.00 0.00 H new ATOM 0 HG21 VAL A 53 15.304 -5.261 -4.067 1.00 0.00 H new ATOM 0 HG22 VAL A 53 13.820 -5.048 -5.025 1.00 0.00 H new ATOM 0 HG23 VAL A 53 14.107 -6.576 -4.160 1.00 0.00 H new ATOM 896 N ASP A 54 14.911 -6.990 -9.209 1.00 0.00 N ATOM 897 CA ASP A 54 14.855 -6.452 -10.594 1.00 0.00 C ATOM 898 C ASP A 54 13.575 -6.974 -11.234 1.00 0.00 C ATOM 899 O ASP A 54 12.916 -6.294 -11.998 1.00 0.00 O ATOM 900 CB ASP A 54 16.069 -6.931 -11.396 1.00 0.00 C ATOM 901 CG ASP A 54 17.334 -6.256 -10.862 1.00 0.00 C ATOM 902 OD1 ASP A 54 17.203 -5.276 -10.147 1.00 0.00 O ATOM 903 OD2 ASP A 54 18.413 -6.728 -11.181 1.00 0.00 O ATOM 0 H ASP A 54 15.525 -7.794 -9.076 1.00 0.00 H new ATOM 0 HA ASP A 54 14.866 -5.362 -10.581 1.00 0.00 H new ATOM 0 HB2 ASP A 54 16.163 -8.014 -11.321 1.00 0.00 H new ATOM 0 HB3 ASP A 54 15.936 -6.695 -12.452 1.00 0.00 H new ATOM 908 N LYS A 55 13.209 -8.185 -10.907 1.00 0.00 N ATOM 909 CA LYS A 55 11.961 -8.763 -11.475 1.00 0.00 C ATOM 910 C LYS A 55 10.759 -8.173 -10.737 1.00 0.00 C ATOM 911 O LYS A 55 9.803 -7.735 -11.348 1.00 0.00 O ATOM 912 CB LYS A 55 11.978 -10.289 -11.314 1.00 0.00 C ATOM 913 CG LYS A 55 10.642 -10.904 -11.811 1.00 0.00 C ATOM 914 CD LYS A 55 9.698 -11.187 -10.624 1.00 0.00 C ATOM 915 CE LYS A 55 10.025 -12.550 -10.007 1.00 0.00 C ATOM 916 NZ LYS A 55 9.534 -13.632 -10.906 1.00 0.00 N ATOM 0 H LYS A 55 13.721 -8.797 -10.272 1.00 0.00 H new ATOM 0 HA LYS A 55 11.891 -8.522 -12.536 1.00 0.00 H new ATOM 0 HB2 LYS A 55 12.811 -10.711 -11.877 1.00 0.00 H new ATOM 0 HB3 LYS A 55 12.137 -10.548 -10.267 1.00 0.00 H new ATOM 0 HG2 LYS A 55 10.160 -10.222 -12.511 1.00 0.00 H new ATOM 0 HG3 LYS A 55 10.841 -11.829 -12.353 1.00 0.00 H new ATOM 0 HD2 LYS A 55 9.801 -10.404 -9.872 1.00 0.00 H new ATOM 0 HD3 LYS A 55 8.662 -11.171 -10.961 1.00 0.00 H new ATOM 0 HE2 LYS A 55 11.101 -12.646 -9.859 1.00 0.00 H new ATOM 0 HE3 LYS A 55 9.559 -12.638 -9.026 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 9.424 -14.512 -10.362 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 8.616 -13.358 -11.310 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 10.219 -13.783 -11.674 1.00 0.00 H new ATOM 930 N VAL A 56 10.793 -8.145 -9.427 1.00 0.00 N ATOM 931 CA VAL A 56 9.643 -7.568 -8.676 1.00 0.00 C ATOM 932 C VAL A 56 9.385 -6.164 -9.226 1.00 0.00 C ATOM 933 O VAL A 56 8.259 -5.776 -9.472 1.00 0.00 O ATOM 934 CB VAL A 56 9.963 -7.539 -7.158 1.00 0.00 C ATOM 935 CG1 VAL A 56 10.665 -6.234 -6.755 1.00 0.00 C ATOM 936 CG2 VAL A 56 8.665 -7.669 -6.352 1.00 0.00 C ATOM 0 H VAL A 56 11.561 -8.494 -8.853 1.00 0.00 H new ATOM 0 HA VAL A 56 8.747 -8.176 -8.803 1.00 0.00 H new ATOM 0 HB VAL A 56 10.630 -8.375 -6.945 1.00 0.00 H new ATOM 0 HG11 VAL A 56 10.874 -6.249 -5.685 1.00 0.00 H new ATOM 0 HG12 VAL A 56 11.601 -6.139 -7.306 1.00 0.00 H new ATOM 0 HG13 VAL A 56 10.020 -5.387 -6.987 1.00 0.00 H new ATOM 0 HG21 VAL A 56 8.895 -7.648 -5.287 1.00 0.00 H new ATOM 0 HG22 VAL A 56 8.000 -6.840 -6.596 1.00 0.00 H new ATOM 0 HG23 VAL A 56 8.176 -8.611 -6.599 1.00 0.00 H new ATOM 946 N MET A 57 10.431 -5.408 -9.446 1.00 0.00 N ATOM 947 CA MET A 57 10.253 -4.039 -10.011 1.00 0.00 C ATOM 948 C MET A 57 9.362 -4.154 -11.252 1.00 0.00 C ATOM 949 O MET A 57 8.510 -3.327 -11.505 1.00 0.00 O ATOM 950 CB MET A 57 11.642 -3.458 -10.394 1.00 0.00 C ATOM 951 CG MET A 57 11.870 -2.095 -9.729 1.00 0.00 C ATOM 952 SD MET A 57 12.284 -2.331 -7.985 1.00 0.00 S ATOM 953 CE MET A 57 13.202 -0.787 -7.782 1.00 0.00 C ATOM 0 H MET A 57 11.396 -5.680 -9.259 1.00 0.00 H new ATOM 0 HA MET A 57 9.789 -3.374 -9.283 1.00 0.00 H new ATOM 0 HB2 MET A 57 12.426 -4.151 -10.090 1.00 0.00 H new ATOM 0 HB3 MET A 57 11.711 -3.354 -11.477 1.00 0.00 H new ATOM 0 HG2 MET A 57 12.675 -1.562 -10.235 1.00 0.00 H new ATOM 0 HG3 MET A 57 10.974 -1.480 -9.820 1.00 0.00 H new ATOM 0 HE1 MET A 57 13.503 -0.677 -6.740 1.00 0.00 H new ATOM 0 HE2 MET A 57 14.088 -0.805 -8.416 1.00 0.00 H new ATOM 0 HE3 MET A 57 12.569 0.053 -8.067 1.00 0.00 H new ATOM 963 N GLU A 58 9.555 -5.193 -12.017 1.00 0.00 N ATOM 964 CA GLU A 58 8.724 -5.389 -13.234 1.00 0.00 C ATOM 965 C GLU A 58 7.267 -5.564 -12.812 1.00 0.00 C ATOM 966 O GLU A 58 6.352 -5.225 -13.536 1.00 0.00 O ATOM 967 CB GLU A 58 9.204 -6.641 -13.979 1.00 0.00 C ATOM 968 CG GLU A 58 8.695 -6.613 -15.423 1.00 0.00 C ATOM 969 CD GLU A 58 9.293 -7.791 -16.196 1.00 0.00 C ATOM 970 OE1 GLU A 58 9.787 -8.704 -15.554 1.00 0.00 O ATOM 971 OE2 GLU A 58 9.247 -7.759 -17.414 1.00 0.00 O ATOM 0 H GLU A 58 10.255 -5.916 -11.850 1.00 0.00 H new ATOM 0 HA GLU A 58 8.813 -4.525 -13.893 1.00 0.00 H new ATOM 0 HB2 GLU A 58 10.293 -6.686 -13.969 1.00 0.00 H new ATOM 0 HB3 GLU A 58 8.843 -7.537 -13.474 1.00 0.00 H new ATOM 0 HG2 GLU A 58 7.607 -6.669 -15.438 1.00 0.00 H new ATOM 0 HG3 GLU A 58 8.972 -5.673 -15.900 1.00 0.00 H new ATOM 978 N THR A 59 7.048 -6.093 -11.640 1.00 0.00 N ATOM 979 CA THR A 59 5.655 -6.295 -11.156 1.00 0.00 C ATOM 980 C THR A 59 5.172 -5.030 -10.447 1.00 0.00 C ATOM 981 O THR A 59 3.991 -4.746 -10.410 1.00 0.00 O ATOM 982 CB THR A 59 5.617 -7.468 -10.176 1.00 0.00 C ATOM 983 OG1 THR A 59 6.231 -8.603 -10.772 1.00 0.00 O ATOM 984 CG2 THR A 59 4.165 -7.792 -9.833 1.00 0.00 C ATOM 0 H THR A 59 7.778 -6.395 -10.995 1.00 0.00 H new ATOM 0 HA THR A 59 5.007 -6.509 -12.006 1.00 0.00 H new ATOM 0 HB THR A 59 6.155 -7.203 -9.266 1.00 0.00 H new ATOM 0 HG1 THR A 59 6.209 -9.355 -10.144 1.00 0.00 H new ATOM 0 HG21 THR A 59 4.134 -8.628 -9.134 1.00 0.00 H new ATOM 0 HG22 THR A 59 3.696 -6.920 -9.377 1.00 0.00 H new ATOM 0 HG23 THR A 59 3.627 -8.059 -10.743 1.00 0.00 H new ATOM 992 N LEU A 60 6.074 -4.272 -9.869 1.00 0.00 N ATOM 993 CA LEU A 60 5.660 -3.028 -9.141 1.00 0.00 C ATOM 994 C LEU A 60 5.875 -1.794 -10.024 1.00 0.00 C ATOM 995 O LEU A 60 4.992 -0.972 -10.164 1.00 0.00 O ATOM 996 CB LEU A 60 6.488 -2.892 -7.851 1.00 0.00 C ATOM 997 CG LEU A 60 5.827 -3.684 -6.708 1.00 0.00 C ATOM 998 CD1 LEU A 60 4.477 -3.042 -6.309 1.00 0.00 C ATOM 999 CD2 LEU A 60 5.606 -5.138 -7.153 1.00 0.00 C ATOM 0 H LEU A 60 7.077 -4.460 -9.869 1.00 0.00 H new ATOM 0 HA LEU A 60 4.601 -3.099 -8.893 1.00 0.00 H new ATOM 0 HB2 LEU A 60 7.500 -3.259 -8.020 1.00 0.00 H new ATOM 0 HB3 LEU A 60 6.572 -1.841 -7.574 1.00 0.00 H new ATOM 0 HG LEU A 60 6.486 -3.665 -5.840 1.00 0.00 H new ATOM 0 HD11 LEU A 60 4.026 -3.616 -5.500 1.00 0.00 H new ATOM 0 HD12 LEU A 60 4.645 -2.018 -5.977 1.00 0.00 H new ATOM 0 HD13 LEU A 60 3.807 -3.039 -7.169 1.00 0.00 H new ATOM 0 HD21 LEU A 60 5.138 -5.699 -6.344 1.00 0.00 H new ATOM 0 HD22 LEU A 60 4.958 -5.156 -8.029 1.00 0.00 H new ATOM 0 HD23 LEU A 60 6.565 -5.592 -7.402 1.00 0.00 H new ATOM 1011 N ASP A 61 7.025 -1.642 -10.621 1.00 0.00 N ATOM 1012 CA ASP A 61 7.261 -0.450 -11.483 1.00 0.00 C ATOM 1013 C ASP A 61 6.193 -0.375 -12.563 1.00 0.00 C ATOM 1014 O ASP A 61 6.212 -1.104 -13.535 1.00 0.00 O ATOM 1015 CB ASP A 61 8.639 -0.579 -12.121 1.00 0.00 C ATOM 1016 CG ASP A 61 9.058 0.761 -12.715 1.00 0.00 C ATOM 1017 OD1 ASP A 61 8.304 1.711 -12.584 1.00 0.00 O ATOM 1018 OD2 ASP A 61 10.128 0.813 -13.291 1.00 0.00 O ATOM 0 H ASP A 61 7.810 -2.290 -10.549 1.00 0.00 H new ATOM 0 HA ASP A 61 7.214 0.459 -10.884 1.00 0.00 H new ATOM 0 HB2 ASP A 61 9.367 -0.901 -11.376 1.00 0.00 H new ATOM 0 HB3 ASP A 61 8.620 -1.342 -12.899 1.00 0.00 H new ATOM 1023 N GLU A 62 5.260 0.515 -12.391 1.00 0.00 N ATOM 1024 CA GLU A 62 4.170 0.670 -13.394 1.00 0.00 C ATOM 1025 C GLU A 62 4.600 1.704 -14.421 1.00 0.00 C ATOM 1026 O GLU A 62 4.383 1.548 -15.606 1.00 0.00 O ATOM 1027 CB GLU A 62 2.883 1.131 -12.700 1.00 0.00 C ATOM 1028 CG GLU A 62 1.699 1.026 -13.668 1.00 0.00 C ATOM 1029 CD GLU A 62 1.783 2.148 -14.706 1.00 0.00 C ATOM 1030 OE1 GLU A 62 2.025 3.276 -14.311 1.00 0.00 O ATOM 1031 OE2 GLU A 62 1.606 1.858 -15.878 1.00 0.00 O ATOM 0 H GLU A 62 5.204 1.148 -11.593 1.00 0.00 H new ATOM 0 HA GLU A 62 3.979 -0.285 -13.884 1.00 0.00 H new ATOM 0 HB2 GLU A 62 2.697 0.519 -11.817 1.00 0.00 H new ATOM 0 HB3 GLU A 62 2.993 2.160 -12.357 1.00 0.00 H new ATOM 0 HG2 GLU A 62 1.707 0.056 -14.165 1.00 0.00 H new ATOM 0 HG3 GLU A 62 0.760 1.095 -13.119 1.00 0.00 H new ATOM 1038 N ASP A 63 5.222 2.755 -13.976 1.00 0.00 N ATOM 1039 CA ASP A 63 5.681 3.792 -14.930 1.00 0.00 C ATOM 1040 C ASP A 63 6.989 3.318 -15.558 1.00 0.00 C ATOM 1041 O ASP A 63 7.523 3.949 -16.448 1.00 0.00 O ATOM 1042 CB ASP A 63 5.907 5.111 -14.186 1.00 0.00 C ATOM 1043 CG ASP A 63 6.575 4.830 -12.838 1.00 0.00 C ATOM 1044 OD1 ASP A 63 7.281 3.840 -12.744 1.00 0.00 O ATOM 1045 OD2 ASP A 63 6.367 5.609 -11.923 1.00 0.00 O ATOM 0 H ASP A 63 5.432 2.940 -12.995 1.00 0.00 H new ATOM 0 HA ASP A 63 4.931 3.953 -15.705 1.00 0.00 H new ATOM 0 HB2 ASP A 63 6.533 5.774 -14.783 1.00 0.00 H new ATOM 0 HB3 ASP A 63 4.956 5.622 -14.033 1.00 0.00 H new ATOM 1050 N GLY A 64 7.511 2.203 -15.107 1.00 0.00 N ATOM 1051 CA GLY A 64 8.783 1.708 -15.699 1.00 0.00 C ATOM 1052 C GLY A 64 9.899 2.688 -15.345 1.00 0.00 C ATOM 1053 O GLY A 64 10.670 3.094 -16.192 1.00 0.00 O ATOM 0 H GLY A 64 7.115 1.625 -14.366 1.00 0.00 H new ATOM 0 HA2 GLY A 64 9.017 0.714 -15.317 1.00 0.00 H new ATOM 0 HA3 GLY A 64 8.687 1.619 -16.781 1.00 0.00 H new ATOM 1057 N ASP A 65 9.977 3.093 -14.101 1.00 0.00 N ATOM 1058 CA ASP A 65 11.031 4.076 -13.694 1.00 0.00 C ATOM 1059 C ASP A 65 12.189 3.350 -13.015 1.00 0.00 C ATOM 1060 O ASP A 65 13.193 3.945 -12.679 1.00 0.00 O ATOM 1061 CB ASP A 65 10.426 5.084 -12.716 1.00 0.00 C ATOM 1062 CG ASP A 65 9.683 4.337 -11.606 1.00 0.00 C ATOM 1063 OD1 ASP A 65 10.015 3.188 -11.367 1.00 0.00 O ATOM 1064 OD2 ASP A 65 8.794 4.928 -11.016 1.00 0.00 O ATOM 0 H ASP A 65 9.358 2.787 -13.351 1.00 0.00 H new ATOM 0 HA ASP A 65 11.402 4.591 -14.580 1.00 0.00 H new ATOM 0 HB2 ASP A 65 11.211 5.707 -12.287 1.00 0.00 H new ATOM 0 HB3 ASP A 65 9.742 5.750 -13.241 1.00 0.00 H new ATOM 1069 N GLY A 66 12.058 2.074 -12.797 1.00 0.00 N ATOM 1070 CA GLY A 66 13.157 1.329 -12.123 1.00 0.00 C ATOM 1071 C GLY A 66 13.166 1.728 -10.654 1.00 0.00 C ATOM 1072 O GLY A 66 13.926 1.215 -9.856 1.00 0.00 O ATOM 0 H GLY A 66 11.244 1.516 -13.054 1.00 0.00 H new ATOM 0 HA2 GLY A 66 13.007 0.254 -12.225 1.00 0.00 H new ATOM 0 HA3 GLY A 66 14.115 1.562 -12.587 1.00 0.00 H new ATOM 1076 N GLU A 67 12.304 2.645 -10.299 1.00 0.00 N ATOM 1077 CA GLU A 67 12.204 3.115 -8.886 1.00 0.00 C ATOM 1078 C GLU A 67 10.807 2.776 -8.377 1.00 0.00 C ATOM 1079 O GLU A 67 9.948 2.377 -9.138 1.00 0.00 O ATOM 1080 CB GLU A 67 12.410 4.630 -8.838 1.00 0.00 C ATOM 1081 CG GLU A 67 13.753 4.984 -9.476 1.00 0.00 C ATOM 1082 CD GLU A 67 14.058 6.463 -9.232 1.00 0.00 C ATOM 1083 OE1 GLU A 67 13.593 7.279 -10.011 1.00 0.00 O ATOM 1084 OE2 GLU A 67 14.750 6.755 -8.271 1.00 0.00 O ATOM 0 H GLU A 67 11.653 3.096 -10.942 1.00 0.00 H new ATOM 0 HA GLU A 67 12.962 2.634 -8.269 1.00 0.00 H new ATOM 0 HB2 GLU A 67 11.601 5.134 -9.366 1.00 0.00 H new ATOM 0 HB3 GLU A 67 12.383 4.979 -7.806 1.00 0.00 H new ATOM 0 HG2 GLU A 67 14.543 4.364 -9.053 1.00 0.00 H new ATOM 0 HG3 GLU A 67 13.725 4.779 -10.546 1.00 0.00 H new ATOM 1091 N CYS A 68 10.572 2.923 -7.099 1.00 0.00 N ATOM 1092 CA CYS A 68 9.226 2.602 -6.529 1.00 0.00 C ATOM 1093 C CYS A 68 8.661 3.833 -5.824 1.00 0.00 C ATOM 1094 O CYS A 68 8.866 4.031 -4.643 1.00 0.00 O ATOM 1095 CB CYS A 68 9.370 1.460 -5.521 1.00 0.00 C ATOM 1096 SG CYS A 68 9.763 -0.075 -6.400 1.00 0.00 S ATOM 0 H CYS A 68 11.258 3.254 -6.420 1.00 0.00 H new ATOM 0 HA CYS A 68 8.550 2.305 -7.331 1.00 0.00 H new ATOM 0 HB2 CYS A 68 10.156 1.692 -4.803 1.00 0.00 H new ATOM 0 HB3 CYS A 68 8.446 1.341 -4.955 1.00 0.00 H new ATOM 0 HG CYS A 68 9.888 -1.045 -5.544 1.00 0.00 H new ATOM 1102 N ASP A 69 7.956 4.672 -6.538 1.00 0.00 N ATOM 1103 CA ASP A 69 7.380 5.886 -5.898 1.00 0.00 C ATOM 1104 C ASP A 69 6.591 5.457 -4.658 1.00 0.00 C ATOM 1105 O ASP A 69 6.579 4.301 -4.303 1.00 0.00 O ATOM 1106 CB ASP A 69 6.463 6.602 -6.892 1.00 0.00 C ATOM 1107 CG ASP A 69 7.105 6.573 -8.280 1.00 0.00 C ATOM 1108 OD1 ASP A 69 8.308 6.381 -8.352 1.00 0.00 O ATOM 1109 OD2 ASP A 69 6.382 6.745 -9.249 1.00 0.00 O ATOM 0 H ASP A 69 7.756 4.567 -7.533 1.00 0.00 H new ATOM 0 HA ASP A 69 8.174 6.572 -5.604 1.00 0.00 H new ATOM 0 HB2 ASP A 69 5.487 6.117 -6.919 1.00 0.00 H new ATOM 0 HB3 ASP A 69 6.298 7.632 -6.576 1.00 0.00 H new ATOM 1114 N PHE A 70 5.928 6.364 -3.995 1.00 0.00 N ATOM 1115 CA PHE A 70 5.153 5.989 -2.774 1.00 0.00 C ATOM 1116 C PHE A 70 3.878 5.213 -3.144 1.00 0.00 C ATOM 1117 O PHE A 70 3.358 4.445 -2.361 1.00 0.00 O ATOM 1118 CB PHE A 70 4.762 7.268 -2.019 1.00 0.00 C ATOM 1119 CG PHE A 70 4.456 8.371 -3.012 1.00 0.00 C ATOM 1120 CD1 PHE A 70 3.261 8.352 -3.741 1.00 0.00 C ATOM 1121 CD2 PHE A 70 5.376 9.407 -3.212 1.00 0.00 C ATOM 1122 CE1 PHE A 70 2.986 9.366 -4.666 1.00 0.00 C ATOM 1123 CE2 PHE A 70 5.103 10.420 -4.142 1.00 0.00 C ATOM 1124 CZ PHE A 70 3.908 10.398 -4.868 1.00 0.00 C ATOM 0 H PHE A 70 5.888 7.352 -4.245 1.00 0.00 H new ATOM 0 HA PHE A 70 5.777 5.350 -2.149 1.00 0.00 H new ATOM 0 HB2 PHE A 70 3.892 7.079 -1.390 1.00 0.00 H new ATOM 0 HB3 PHE A 70 5.573 7.574 -1.358 1.00 0.00 H new ATOM 0 HD1 PHE A 70 2.550 7.553 -3.589 1.00 0.00 H new ATOM 0 HD2 PHE A 70 6.297 9.426 -2.649 1.00 0.00 H new ATOM 0 HE1 PHE A 70 2.061 9.351 -5.224 1.00 0.00 H new ATOM 0 HE2 PHE A 70 5.815 11.217 -4.298 1.00 0.00 H new ATOM 0 HZ PHE A 70 3.697 11.178 -5.585 1.00 0.00 H new ATOM 1134 N GLN A 71 3.342 5.464 -4.300 1.00 0.00 N ATOM 1135 CA GLN A 71 2.069 4.813 -4.704 1.00 0.00 C ATOM 1136 C GLN A 71 2.253 3.320 -4.969 1.00 0.00 C ATOM 1137 O GLN A 71 1.496 2.497 -4.482 1.00 0.00 O ATOM 1138 CB GLN A 71 1.537 5.501 -5.962 1.00 0.00 C ATOM 1139 CG GLN A 71 0.180 4.906 -6.318 1.00 0.00 C ATOM 1140 CD GLN A 71 -0.473 5.729 -7.430 1.00 0.00 C ATOM 1141 OE1 GLN A 71 -1.657 5.998 -7.387 1.00 0.00 O ATOM 1142 NE2 GLN A 71 0.254 6.144 -8.430 1.00 0.00 N ATOM 0 H GLN A 71 3.736 6.101 -4.992 1.00 0.00 H new ATOM 0 HA GLN A 71 1.357 4.914 -3.885 1.00 0.00 H new ATOM 0 HB2 GLN A 71 1.445 6.574 -5.794 1.00 0.00 H new ATOM 0 HB3 GLN A 71 2.235 5.367 -6.788 1.00 0.00 H new ATOM 0 HG2 GLN A 71 0.300 3.872 -6.641 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -0.463 4.892 -5.438 1.00 0.00 H new ATOM 0 HE21 GLN A 71 1.248 5.918 -8.466 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -0.171 6.694 -9.176 1.00 0.00 H new ATOM 1151 N GLU A 72 3.254 2.941 -5.710 1.00 0.00 N ATOM 1152 CA GLU A 72 3.458 1.491 -5.968 1.00 0.00 C ATOM 1153 C GLU A 72 4.298 0.911 -4.836 1.00 0.00 C ATOM 1154 O GLU A 72 4.164 -0.241 -4.478 1.00 0.00 O ATOM 1155 CB GLU A 72 4.142 1.303 -7.326 1.00 0.00 C ATOM 1156 CG GLU A 72 5.622 1.749 -7.264 1.00 0.00 C ATOM 1157 CD GLU A 72 6.039 2.384 -8.598 1.00 0.00 C ATOM 1158 OE1 GLU A 72 5.734 1.806 -9.628 1.00 0.00 O ATOM 1159 OE2 GLU A 72 6.652 3.438 -8.563 1.00 0.00 O ATOM 0 H GLU A 72 3.934 3.565 -6.144 1.00 0.00 H new ATOM 0 HA GLU A 72 2.503 0.967 -6.001 1.00 0.00 H new ATOM 0 HB2 GLU A 72 4.085 0.256 -7.625 1.00 0.00 H new ATOM 0 HB3 GLU A 72 3.615 1.880 -8.086 1.00 0.00 H new ATOM 0 HG2 GLU A 72 5.761 2.464 -6.453 1.00 0.00 H new ATOM 0 HG3 GLU A 72 6.259 0.892 -7.046 1.00 0.00 H new ATOM 1166 N PHE A 73 5.156 1.698 -4.247 1.00 0.00 N ATOM 1167 CA PHE A 73 5.974 1.169 -3.124 1.00 0.00 C ATOM 1168 C PHE A 73 5.035 0.547 -2.102 1.00 0.00 C ATOM 1169 O PHE A 73 5.240 -0.550 -1.646 1.00 0.00 O ATOM 1170 CB PHE A 73 6.770 2.304 -2.477 1.00 0.00 C ATOM 1171 CG PHE A 73 7.292 1.917 -1.105 1.00 0.00 C ATOM 1172 CD1 PHE A 73 7.725 0.608 -0.833 1.00 0.00 C ATOM 1173 CD2 PHE A 73 7.360 2.892 -0.100 1.00 0.00 C ATOM 1174 CE1 PHE A 73 8.225 0.288 0.432 1.00 0.00 C ATOM 1175 CE2 PHE A 73 7.854 2.564 1.164 1.00 0.00 C ATOM 1176 CZ PHE A 73 8.289 1.267 1.429 1.00 0.00 C ATOM 0 H PHE A 73 5.324 2.674 -4.492 1.00 0.00 H new ATOM 0 HA PHE A 73 6.677 0.421 -3.492 1.00 0.00 H new ATOM 0 HB2 PHE A 73 7.607 2.574 -3.121 1.00 0.00 H new ATOM 0 HB3 PHE A 73 6.137 3.187 -2.389 1.00 0.00 H new ATOM 0 HD1 PHE A 73 7.671 -0.150 -1.601 1.00 0.00 H new ATOM 0 HD2 PHE A 73 7.029 3.900 -0.304 1.00 0.00 H new ATOM 0 HE1 PHE A 73 8.562 -0.717 0.640 1.00 0.00 H new ATOM 0 HE2 PHE A 73 7.899 3.317 1.937 1.00 0.00 H new ATOM 0 HZ PHE A 73 8.676 1.017 2.406 1.00 0.00 H new ATOM 1186 N MET A 74 3.982 1.217 -1.749 1.00 0.00 N ATOM 1187 CA MET A 74 3.052 0.594 -0.784 1.00 0.00 C ATOM 1188 C MET A 74 2.563 -0.695 -1.434 1.00 0.00 C ATOM 1189 O MET A 74 2.477 -1.735 -0.811 1.00 0.00 O ATOM 1190 CB MET A 74 1.874 1.548 -0.488 1.00 0.00 C ATOM 1191 CG MET A 74 1.458 1.449 0.991 1.00 0.00 C ATOM 1192 SD MET A 74 -0.289 1.898 1.163 1.00 0.00 S ATOM 1193 CE MET A 74 -0.187 2.646 2.808 1.00 0.00 C ATOM 0 H MET A 74 3.729 2.149 -2.079 1.00 0.00 H new ATOM 0 HA MET A 74 3.539 0.386 0.169 1.00 0.00 H new ATOM 0 HB2 MET A 74 2.161 2.573 -0.723 1.00 0.00 H new ATOM 0 HB3 MET A 74 1.027 1.299 -1.127 1.00 0.00 H new ATOM 0 HG2 MET A 74 1.621 0.436 1.358 1.00 0.00 H new ATOM 0 HG3 MET A 74 2.075 2.111 1.598 1.00 0.00 H new ATOM 0 HE1 MET A 74 -1.119 3.166 3.029 1.00 0.00 H new ATOM 0 HE2 MET A 74 -0.021 1.867 3.552 1.00 0.00 H new ATOM 0 HE3 MET A 74 0.640 3.356 2.834 1.00 0.00 H new ATOM 1203 N ALA A 75 2.244 -0.622 -2.698 1.00 0.00 N ATOM 1204 CA ALA A 75 1.759 -1.853 -3.394 1.00 0.00 C ATOM 1205 C ALA A 75 2.773 -2.988 -3.186 1.00 0.00 C ATOM 1206 O ALA A 75 2.452 -4.150 -3.330 1.00 0.00 O ATOM 1207 CB ALA A 75 1.567 -1.574 -4.886 1.00 0.00 C ATOM 0 H ALA A 75 2.296 0.219 -3.272 1.00 0.00 H new ATOM 0 HA ALA A 75 0.798 -2.152 -2.975 1.00 0.00 H new ATOM 0 HB1 ALA A 75 1.214 -2.478 -5.383 1.00 0.00 H new ATOM 0 HB2 ALA A 75 0.834 -0.778 -5.016 1.00 0.00 H new ATOM 0 HB3 ALA A 75 2.517 -1.267 -5.324 1.00 0.00 H new ATOM 1213 N PHE A 76 3.991 -2.669 -2.831 1.00 0.00 N ATOM 1214 CA PHE A 76 4.993 -3.758 -2.598 1.00 0.00 C ATOM 1215 C PHE A 76 4.637 -4.450 -1.286 1.00 0.00 C ATOM 1216 O PHE A 76 4.463 -5.650 -1.233 1.00 0.00 O ATOM 1217 CB PHE A 76 6.416 -3.183 -2.528 1.00 0.00 C ATOM 1218 CG PHE A 76 7.394 -4.240 -2.057 1.00 0.00 C ATOM 1219 CD1 PHE A 76 7.547 -5.432 -2.776 1.00 0.00 C ATOM 1220 CD2 PHE A 76 8.163 -4.018 -0.902 1.00 0.00 C ATOM 1221 CE1 PHE A 76 8.462 -6.400 -2.341 1.00 0.00 C ATOM 1222 CE2 PHE A 76 9.076 -4.984 -0.471 1.00 0.00 C ATOM 1223 CZ PHE A 76 9.226 -6.174 -1.187 1.00 0.00 C ATOM 0 H PHE A 76 4.334 -1.718 -2.693 1.00 0.00 H new ATOM 0 HA PHE A 76 4.967 -4.470 -3.423 1.00 0.00 H new ATOM 0 HB2 PHE A 76 6.714 -2.815 -3.510 1.00 0.00 H new ATOM 0 HB3 PHE A 76 6.437 -2.331 -1.848 1.00 0.00 H new ATOM 0 HD1 PHE A 76 6.960 -5.605 -3.666 1.00 0.00 H new ATOM 0 HD2 PHE A 76 8.048 -3.099 -0.346 1.00 0.00 H new ATOM 0 HE1 PHE A 76 8.579 -7.320 -2.894 1.00 0.00 H new ATOM 0 HE2 PHE A 76 9.666 -4.810 0.417 1.00 0.00 H new ATOM 0 HZ PHE A 76 9.931 -6.920 -0.852 1.00 0.00 H new ATOM 1233 N VAL A 77 4.507 -3.698 -0.232 1.00 0.00 N ATOM 1234 CA VAL A 77 4.137 -4.306 1.075 1.00 0.00 C ATOM 1235 C VAL A 77 2.799 -5.034 0.919 1.00 0.00 C ATOM 1236 O VAL A 77 2.545 -6.043 1.547 1.00 0.00 O ATOM 1237 CB VAL A 77 3.990 -3.207 2.130 1.00 0.00 C ATOM 1238 CG1 VAL A 77 3.835 -3.848 3.508 1.00 0.00 C ATOM 1239 CG2 VAL A 77 5.231 -2.309 2.136 1.00 0.00 C ATOM 0 H VAL A 77 4.641 -2.687 -0.218 1.00 0.00 H new ATOM 0 HA VAL A 77 4.912 -5.006 1.387 1.00 0.00 H new ATOM 0 HB VAL A 77 3.112 -2.606 1.894 1.00 0.00 H new ATOM 0 HG11 VAL A 77 3.730 -3.068 4.262 1.00 0.00 H new ATOM 0 HG12 VAL A 77 2.949 -4.483 3.516 1.00 0.00 H new ATOM 0 HG13 VAL A 77 4.715 -4.451 3.730 1.00 0.00 H new ATOM 0 HG21 VAL A 77 5.114 -1.531 2.891 1.00 0.00 H new ATOM 0 HG22 VAL A 77 6.112 -2.908 2.366 1.00 0.00 H new ATOM 0 HG23 VAL A 77 5.351 -1.848 1.156 1.00 0.00 H new ATOM 1249 N SER A 78 1.945 -4.521 0.078 1.00 0.00 N ATOM 1250 CA SER A 78 0.617 -5.156 -0.149 1.00 0.00 C ATOM 1251 C SER A 78 0.819 -6.578 -0.647 1.00 0.00 C ATOM 1252 O SER A 78 0.101 -7.488 -0.287 1.00 0.00 O ATOM 1253 CB SER A 78 -0.133 -4.381 -1.225 1.00 0.00 C ATOM 1254 OG SER A 78 0.356 -4.783 -2.494 1.00 0.00 O ATOM 0 H SER A 78 2.114 -3.677 -0.469 1.00 0.00 H new ATOM 0 HA SER A 78 0.054 -5.156 0.784 1.00 0.00 H new ATOM 0 HB2 SER A 78 -1.203 -4.573 -1.153 1.00 0.00 H new ATOM 0 HB3 SER A 78 0.008 -3.309 -1.087 1.00 0.00 H new ATOM 0 HG SER A 78 1.323 -4.628 -2.536 1.00 0.00 H new ATOM 1260 N MET A 79 1.801 -6.772 -1.477 1.00 0.00 N ATOM 1261 CA MET A 79 2.067 -8.131 -2.008 1.00 0.00 C ATOM 1262 C MET A 79 2.654 -8.978 -0.897 1.00 0.00 C ATOM 1263 O MET A 79 2.488 -10.181 -0.855 1.00 0.00 O ATOM 1264 CB MET A 79 3.057 -8.067 -3.173 1.00 0.00 C ATOM 1265 CG MET A 79 3.104 -9.429 -3.890 1.00 0.00 C ATOM 1266 SD MET A 79 4.739 -9.675 -4.624 1.00 0.00 S ATOM 1267 CE MET A 79 4.521 -8.562 -6.032 1.00 0.00 C ATOM 0 H MET A 79 2.433 -6.044 -1.811 1.00 0.00 H new ATOM 0 HA MET A 79 1.135 -8.566 -2.368 1.00 0.00 H new ATOM 0 HB2 MET A 79 2.759 -7.287 -3.873 1.00 0.00 H new ATOM 0 HB3 MET A 79 4.049 -7.804 -2.806 1.00 0.00 H new ATOM 0 HG2 MET A 79 2.887 -10.230 -3.184 1.00 0.00 H new ATOM 0 HG3 MET A 79 2.337 -9.470 -4.664 1.00 0.00 H new ATOM 0 HE1 MET A 79 5.489 -8.362 -6.491 1.00 0.00 H new ATOM 0 HE2 MET A 79 3.861 -9.027 -6.764 1.00 0.00 H new ATOM 0 HE3 MET A 79 4.081 -7.625 -5.690 1.00 0.00 H new ATOM 1277 N VAL A 80 3.313 -8.350 0.028 1.00 0.00 N ATOM 1278 CA VAL A 80 3.882 -9.101 1.161 1.00 0.00 C ATOM 1279 C VAL A 80 2.742 -9.328 2.119 1.00 0.00 C ATOM 1280 O VAL A 80 2.596 -10.381 2.707 1.00 0.00 O ATOM 1281 CB VAL A 80 4.965 -8.283 1.868 1.00 0.00 C ATOM 1282 CG1 VAL A 80 5.615 -9.135 2.959 1.00 0.00 C ATOM 1283 CG2 VAL A 80 6.029 -7.845 0.866 1.00 0.00 C ATOM 0 H VAL A 80 3.480 -7.344 0.044 1.00 0.00 H new ATOM 0 HA VAL A 80 4.335 -10.031 0.818 1.00 0.00 H new ATOM 0 HB VAL A 80 4.509 -7.399 2.313 1.00 0.00 H new ATOM 0 HG11 VAL A 80 6.387 -8.553 3.463 1.00 0.00 H new ATOM 0 HG12 VAL A 80 4.858 -9.439 3.683 1.00 0.00 H new ATOM 0 HG13 VAL A 80 6.064 -10.021 2.510 1.00 0.00 H new ATOM 0 HG21 VAL A 80 6.795 -7.264 1.379 1.00 0.00 H new ATOM 0 HG22 VAL A 80 6.485 -8.725 0.412 1.00 0.00 H new ATOM 0 HG23 VAL A 80 5.568 -7.233 0.090 1.00 0.00 H new ATOM 1293 N THR A 81 1.919 -8.330 2.275 1.00 0.00 N ATOM 1294 CA THR A 81 0.773 -8.470 3.190 1.00 0.00 C ATOM 1295 C THR A 81 -0.180 -9.504 2.618 1.00 0.00 C ATOM 1296 O THR A 81 -0.804 -10.251 3.347 1.00 0.00 O ATOM 1297 CB THR A 81 0.053 -7.122 3.315 1.00 0.00 C ATOM 1298 OG1 THR A 81 0.971 -6.138 3.773 1.00 0.00 O ATOM 1299 CG2 THR A 81 -1.112 -7.240 4.302 1.00 0.00 C ATOM 0 H THR A 81 1.997 -7.428 1.806 1.00 0.00 H new ATOM 0 HA THR A 81 1.116 -8.785 4.175 1.00 0.00 H new ATOM 0 HB THR A 81 -0.338 -6.831 2.340 1.00 0.00 H new ATOM 0 HG1 THR A 81 1.592 -5.909 3.050 1.00 0.00 H new ATOM 0 HG21 THR A 81 -1.618 -6.278 4.385 1.00 0.00 H new ATOM 0 HG22 THR A 81 -1.817 -7.991 3.945 1.00 0.00 H new ATOM 0 HG23 THR A 81 -0.732 -7.535 5.280 1.00 0.00 H new ATOM 1307 N THR A 82 -0.335 -9.547 1.319 1.00 0.00 N ATOM 1308 CA THR A 82 -1.294 -10.531 0.734 1.00 0.00 C ATOM 1309 C THR A 82 -0.808 -11.968 0.937 1.00 0.00 C ATOM 1310 O THR A 82 -1.594 -12.853 1.209 1.00 0.00 O ATOM 1311 CB THR A 82 -1.455 -10.249 -0.754 1.00 0.00 C ATOM 1312 OG1 THR A 82 -0.175 -10.159 -1.354 1.00 0.00 O ATOM 1313 CG2 THR A 82 -2.223 -8.928 -0.948 1.00 0.00 C ATOM 0 H THR A 82 0.152 -8.954 0.648 1.00 0.00 H new ATOM 0 HA THR A 82 -2.252 -10.425 1.242 1.00 0.00 H new ATOM 0 HB THR A 82 -2.016 -11.057 -1.223 1.00 0.00 H new ATOM 0 HG1 THR A 82 -0.256 -10.299 -2.321 1.00 0.00 H new ATOM 0 HG21 THR A 82 -2.338 -8.727 -2.013 1.00 0.00 H new ATOM 0 HG22 THR A 82 -3.207 -9.008 -0.486 1.00 0.00 H new ATOM 0 HG23 THR A 82 -1.669 -8.113 -0.483 1.00 0.00 H new ATOM 1321 N ALA A 83 0.468 -12.229 0.814 1.00 0.00 N ATOM 1322 CA ALA A 83 0.949 -13.624 1.010 1.00 0.00 C ATOM 1323 C ALA A 83 0.761 -14.014 2.474 1.00 0.00 C ATOM 1324 O ALA A 83 0.284 -15.087 2.784 1.00 0.00 O ATOM 1325 CB ALA A 83 2.433 -13.713 0.642 1.00 0.00 C ATOM 0 H ALA A 83 1.189 -11.543 0.589 1.00 0.00 H new ATOM 0 HA ALA A 83 0.381 -14.301 0.372 1.00 0.00 H new ATOM 0 HB1 ALA A 83 2.783 -14.735 0.786 1.00 0.00 H new ATOM 0 HB2 ALA A 83 2.567 -13.427 -0.401 1.00 0.00 H new ATOM 0 HB3 ALA A 83 3.007 -13.040 1.279 1.00 0.00 H new ATOM 1331 N CYS A 84 1.120 -13.145 3.379 1.00 0.00 N ATOM 1332 CA CYS A 84 0.944 -13.473 4.822 1.00 0.00 C ATOM 1333 C CYS A 84 -0.544 -13.693 5.097 1.00 0.00 C ATOM 1334 O CYS A 84 -0.932 -14.166 6.147 1.00 0.00 O ATOM 1335 CB CYS A 84 1.461 -12.316 5.680 1.00 0.00 C ATOM 1336 SG CYS A 84 1.006 -12.595 7.411 1.00 0.00 S ATOM 0 H CYS A 84 1.524 -12.229 3.184 1.00 0.00 H new ATOM 0 HA CYS A 84 1.504 -14.375 5.069 1.00 0.00 H new ATOM 0 HB2 CYS A 84 2.544 -12.236 5.586 1.00 0.00 H new ATOM 0 HB3 CYS A 84 1.040 -11.374 5.330 1.00 0.00 H new ATOM 0 HG CYS A 84 -0.019 -13.392 7.467 1.00 0.00 H new ATOM 1342 N HIS A 85 -1.378 -13.350 4.149 1.00 0.00 N ATOM 1343 CA HIS A 85 -2.855 -13.524 4.316 1.00 0.00 C ATOM 1344 C HIS A 85 -3.320 -14.714 3.465 1.00 0.00 C ATOM 1345 O HIS A 85 -4.218 -15.442 3.839 1.00 0.00 O ATOM 1346 CB HIS A 85 -3.552 -12.225 3.860 1.00 0.00 C ATOM 1347 CG HIS A 85 -4.939 -12.505 3.338 1.00 0.00 C ATOM 1348 ND1 HIS A 85 -5.269 -12.327 2.006 1.00 0.00 N ATOM 1349 CD2 HIS A 85 -6.080 -12.960 3.951 1.00 0.00 C ATOM 1350 CE1 HIS A 85 -6.560 -12.671 1.857 1.00 0.00 C ATOM 1351 NE2 HIS A 85 -7.103 -13.065 3.013 1.00 0.00 N ATOM 0 H HIS A 85 -1.095 -12.951 3.254 1.00 0.00 H new ATOM 0 HA HIS A 85 -3.107 -13.722 5.358 1.00 0.00 H new ATOM 0 HB2 HIS A 85 -3.609 -11.527 4.695 1.00 0.00 H new ATOM 0 HB3 HIS A 85 -2.958 -11.744 3.083 1.00 0.00 H new ATOM 0 HD2 HIS A 85 -6.170 -13.200 5.000 1.00 0.00 H new ATOM 0 HE1 HIS A 85 -7.093 -12.634 0.918 1.00 0.00 H new ATOM 0 HE2 HIS A 85 -8.061 -13.376 3.173 1.00 0.00 H new ATOM 1359 N GLU A 86 -2.723 -14.912 2.324 1.00 0.00 N ATOM 1360 CA GLU A 86 -3.140 -16.047 1.455 1.00 0.00 C ATOM 1361 C GLU A 86 -2.605 -17.351 2.038 1.00 0.00 C ATOM 1362 O GLU A 86 -3.310 -18.335 2.142 1.00 0.00 O ATOM 1363 CB GLU A 86 -2.582 -15.836 0.042 1.00 0.00 C ATOM 1364 CG GLU A 86 -3.012 -16.986 -0.878 1.00 0.00 C ATOM 1365 CD GLU A 86 -4.539 -17.050 -0.953 1.00 0.00 C ATOM 1366 OE1 GLU A 86 -5.153 -16.000 -1.049 1.00 0.00 O ATOM 1367 OE2 GLU A 86 -5.069 -18.149 -0.912 1.00 0.00 O ATOM 0 H GLU A 86 -1.965 -14.338 1.955 1.00 0.00 H new ATOM 0 HA GLU A 86 -4.228 -16.096 1.406 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -2.939 -14.887 -0.359 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -1.494 -15.778 0.078 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -2.596 -16.841 -1.875 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -2.618 -17.930 -0.503 1.00 0.00 H new ATOM 1374 N PHE A 87 -1.364 -17.364 2.426 1.00 0.00 N ATOM 1375 CA PHE A 87 -0.782 -18.601 3.010 1.00 0.00 C ATOM 1376 C PHE A 87 -1.453 -18.882 4.355 1.00 0.00 C ATOM 1377 O PHE A 87 -1.545 -20.013 4.789 1.00 0.00 O ATOM 1378 CB PHE A 87 0.724 -18.406 3.216 1.00 0.00 C ATOM 1379 CG PHE A 87 1.440 -18.534 1.889 1.00 0.00 C ATOM 1380 CD1 PHE A 87 1.280 -17.544 0.909 1.00 0.00 C ATOM 1381 CD2 PHE A 87 2.263 -19.638 1.637 1.00 0.00 C ATOM 1382 CE1 PHE A 87 1.942 -17.659 -0.318 1.00 0.00 C ATOM 1383 CE2 PHE A 87 2.925 -19.753 0.407 1.00 0.00 C ATOM 1384 CZ PHE A 87 2.763 -18.764 -0.570 1.00 0.00 C ATOM 0 H PHE A 87 -0.726 -16.571 2.364 1.00 0.00 H new ATOM 0 HA PHE A 87 -0.947 -19.442 2.336 1.00 0.00 H new ATOM 0 HB2 PHE A 87 0.917 -17.426 3.652 1.00 0.00 H new ATOM 0 HB3 PHE A 87 1.104 -19.148 3.918 1.00 0.00 H new ATOM 0 HD1 PHE A 87 0.645 -16.692 1.102 1.00 0.00 H new ATOM 0 HD2 PHE A 87 2.388 -20.401 2.391 1.00 0.00 H new ATOM 0 HE1 PHE A 87 1.819 -16.895 -1.071 1.00 0.00 H new ATOM 0 HE2 PHE A 87 3.560 -20.605 0.213 1.00 0.00 H new ATOM 0 HZ PHE A 87 3.272 -18.854 -1.519 1.00 0.00 H new ATOM 1394 N PHE A 88 -1.919 -17.860 5.021 1.00 0.00 N ATOM 1395 CA PHE A 88 -2.580 -18.074 6.340 1.00 0.00 C ATOM 1396 C PHE A 88 -3.899 -18.816 6.126 1.00 0.00 C ATOM 1397 O PHE A 88 -4.209 -19.759 6.826 1.00 0.00 O ATOM 1398 CB PHE A 88 -2.843 -16.712 7.015 1.00 0.00 C ATOM 1399 CG PHE A 88 -1.641 -16.284 7.835 1.00 0.00 C ATOM 1400 CD1 PHE A 88 -0.342 -16.498 7.354 1.00 0.00 C ATOM 1401 CD2 PHE A 88 -1.832 -15.667 9.079 1.00 0.00 C ATOM 1402 CE1 PHE A 88 0.761 -16.097 8.117 1.00 0.00 C ATOM 1403 CE2 PHE A 88 -0.727 -15.267 9.840 1.00 0.00 C ATOM 1404 CZ PHE A 88 0.569 -15.481 9.359 1.00 0.00 C ATOM 0 H PHE A 88 -1.871 -16.890 4.710 1.00 0.00 H new ATOM 0 HA PHE A 88 -1.932 -18.668 6.985 1.00 0.00 H new ATOM 0 HB2 PHE A 88 -3.060 -15.960 6.257 1.00 0.00 H new ATOM 0 HB3 PHE A 88 -3.722 -16.781 7.656 1.00 0.00 H new ATOM 0 HD1 PHE A 88 -0.192 -16.972 6.395 1.00 0.00 H new ATOM 0 HD2 PHE A 88 -2.832 -15.500 9.451 1.00 0.00 H new ATOM 0 HE1 PHE A 88 1.762 -16.263 7.747 1.00 0.00 H new ATOM 0 HE2 PHE A 88 -0.875 -14.793 10.799 1.00 0.00 H new ATOM 0 HZ PHE A 88 1.421 -15.171 9.946 1.00 0.00 H new ATOM 1494 N GLU B 2 7.827 -1.457 12.480 1.00 0.00 N ATOM 1495 CA GLU B 2 6.658 -0.558 12.250 1.00 0.00 C ATOM 1496 C GLU B 2 5.885 -1.071 11.035 1.00 0.00 C ATOM 1497 O GLU B 2 4.687 -0.903 10.922 1.00 0.00 O ATOM 1498 CB GLU B 2 7.137 0.873 11.982 1.00 0.00 C ATOM 1499 CG GLU B 2 7.530 1.530 13.305 1.00 0.00 C ATOM 1500 CD GLU B 2 8.165 2.895 13.033 1.00 0.00 C ATOM 1501 OE1 GLU B 2 7.428 3.864 12.946 1.00 0.00 O ATOM 1502 OE2 GLU B 2 9.378 2.949 12.918 1.00 0.00 O ATOM 0 HA GLU B 2 6.019 -0.553 13.133 1.00 0.00 H new ATOM 0 HB2 GLU B 2 7.988 0.862 11.301 1.00 0.00 H new ATOM 0 HB3 GLU B 2 6.348 1.448 11.497 1.00 0.00 H new ATOM 0 HG2 GLU B 2 6.651 1.647 13.940 1.00 0.00 H new ATOM 0 HG3 GLU B 2 8.231 0.893 13.845 1.00 0.00 H new ATOM 1509 N LEU B 3 6.578 -1.686 10.120 1.00 0.00 N ATOM 1510 CA LEU B 3 5.931 -2.207 8.890 1.00 0.00 C ATOM 1511 C LEU B 3 5.075 -3.448 9.206 1.00 0.00 C ATOM 1512 O LEU B 3 4.141 -3.747 8.492 1.00 0.00 O ATOM 1513 CB LEU B 3 7.057 -2.567 7.892 1.00 0.00 C ATOM 1514 CG LEU B 3 6.836 -1.917 6.517 1.00 0.00 C ATOM 1515 CD1 LEU B 3 5.569 -2.484 5.873 1.00 0.00 C ATOM 1516 CD2 LEU B 3 6.731 -0.377 6.636 1.00 0.00 C ATOM 0 H LEU B 3 7.583 -1.851 10.175 1.00 0.00 H new ATOM 0 HA LEU B 3 5.266 -1.455 8.465 1.00 0.00 H new ATOM 0 HB2 LEU B 3 8.017 -2.244 8.296 1.00 0.00 H new ATOM 0 HB3 LEU B 3 7.108 -3.650 7.777 1.00 0.00 H new ATOM 0 HG LEU B 3 7.696 -2.147 5.888 1.00 0.00 H new ATOM 0 HD11 LEU B 3 5.417 -2.020 4.899 1.00 0.00 H new ATOM 0 HD12 LEU B 3 5.675 -3.562 5.749 1.00 0.00 H new ATOM 0 HD13 LEU B 3 4.711 -2.275 6.512 1.00 0.00 H new ATOM 0 HD21 LEU B 3 6.575 0.055 5.647 1.00 0.00 H new ATOM 0 HD22 LEU B 3 5.892 -0.118 7.281 1.00 0.00 H new ATOM 0 HD23 LEU B 3 7.652 0.019 7.063 1.00 0.00 H new ATOM 1528 N GLU B 4 5.373 -4.167 10.256 1.00 0.00 N ATOM 1529 CA GLU B 4 4.550 -5.372 10.572 1.00 0.00 C ATOM 1530 C GLU B 4 3.137 -4.920 10.933 1.00 0.00 C ATOM 1531 O GLU B 4 2.159 -5.408 10.401 1.00 0.00 O ATOM 1532 CB GLU B 4 5.161 -6.137 11.749 1.00 0.00 C ATOM 1533 CG GLU B 4 4.288 -7.351 12.073 1.00 0.00 C ATOM 1534 CD GLU B 4 5.002 -8.235 13.097 1.00 0.00 C ATOM 1535 OE1 GLU B 4 6.192 -8.046 13.286 1.00 0.00 O ATOM 1536 OE2 GLU B 4 4.346 -9.087 13.674 1.00 0.00 O ATOM 0 H GLU B 4 6.140 -3.976 10.901 1.00 0.00 H new ATOM 0 HA GLU B 4 4.523 -6.032 9.705 1.00 0.00 H new ATOM 0 HB2 GLU B 4 6.173 -6.458 11.502 1.00 0.00 H new ATOM 0 HB3 GLU B 4 5.236 -5.486 12.620 1.00 0.00 H new ATOM 0 HG2 GLU B 4 3.325 -7.025 12.467 1.00 0.00 H new ATOM 0 HG3 GLU B 4 4.085 -7.919 11.165 1.00 0.00 H new ATOM 1543 N LYS B 5 3.026 -3.975 11.823 1.00 0.00 N ATOM 1544 CA LYS B 5 1.684 -3.467 12.215 1.00 0.00 C ATOM 1545 C LYS B 5 0.932 -3.057 10.956 1.00 0.00 C ATOM 1546 O LYS B 5 -0.240 -3.337 10.789 1.00 0.00 O ATOM 1547 CB LYS B 5 1.833 -2.223 13.105 1.00 0.00 C ATOM 1548 CG LYS B 5 2.637 -2.556 14.372 1.00 0.00 C ATOM 1549 CD LYS B 5 4.142 -2.745 14.046 1.00 0.00 C ATOM 1550 CE LYS B 5 5.008 -2.184 15.177 1.00 0.00 C ATOM 1551 NZ LYS B 5 4.603 -2.801 16.470 1.00 0.00 N ATOM 0 H LYS B 5 3.812 -3.531 12.298 1.00 0.00 H new ATOM 0 HA LYS B 5 1.149 -4.247 12.756 1.00 0.00 H new ATOM 0 HB2 LYS B 5 2.333 -1.430 12.549 1.00 0.00 H new ATOM 0 HB3 LYS B 5 0.848 -1.847 13.381 1.00 0.00 H new ATOM 0 HG2 LYS B 5 2.518 -1.756 15.103 1.00 0.00 H new ATOM 0 HG3 LYS B 5 2.244 -3.465 14.827 1.00 0.00 H new ATOM 0 HD2 LYS B 5 4.360 -3.804 13.904 1.00 0.00 H new ATOM 0 HD3 LYS B 5 4.384 -2.241 13.110 1.00 0.00 H new ATOM 0 HE2 LYS B 5 6.060 -2.389 14.979 1.00 0.00 H new ATOM 0 HE3 LYS B 5 4.898 -1.101 15.229 1.00 0.00 H new ATOM 0 HZ1 LYS B 5 5.360 -2.667 17.171 1.00 0.00 H new ATOM 0 HZ2 LYS B 5 3.731 -2.350 16.812 1.00 0.00 H new ATOM 0 HZ3 LYS B 5 4.435 -3.818 16.332 1.00 0.00 H new ATOM 1565 N ALA B 6 1.601 -2.362 10.084 1.00 0.00 N ATOM 1566 CA ALA B 6 0.944 -1.882 8.837 1.00 0.00 C ATOM 1567 C ALA B 6 0.324 -3.034 8.049 1.00 0.00 C ATOM 1568 O ALA B 6 -0.852 -3.017 7.745 1.00 0.00 O ATOM 1569 CB ALA B 6 1.970 -1.150 7.967 1.00 0.00 C ATOM 0 H ALA B 6 2.583 -2.103 10.181 1.00 0.00 H new ATOM 0 HA ALA B 6 0.141 -1.200 9.118 1.00 0.00 H new ATOM 0 HB1 ALA B 6 1.489 -0.799 7.054 1.00 0.00 H new ATOM 0 HB2 ALA B 6 2.371 -0.298 8.516 1.00 0.00 H new ATOM 0 HB3 ALA B 6 2.781 -1.831 7.710 1.00 0.00 H new ATOM 1575 N MET B 7 1.086 -4.024 7.699 1.00 0.00 N ATOM 1576 CA MET B 7 0.494 -5.144 6.917 1.00 0.00 C ATOM 1577 C MET B 7 -0.518 -5.889 7.787 1.00 0.00 C ATOM 1578 O MET B 7 -1.470 -6.450 7.296 1.00 0.00 O ATOM 1579 CB MET B 7 1.590 -6.101 6.430 1.00 0.00 C ATOM 1580 CG MET B 7 2.455 -6.551 7.605 1.00 0.00 C ATOM 1581 SD MET B 7 3.685 -7.750 7.024 1.00 0.00 S ATOM 1582 CE MET B 7 4.597 -6.648 5.910 1.00 0.00 C ATOM 0 H MET B 7 2.079 -4.110 7.915 1.00 0.00 H new ATOM 0 HA MET B 7 -0.013 -4.739 6.041 1.00 0.00 H new ATOM 0 HB2 MET B 7 1.138 -6.968 5.948 1.00 0.00 H new ATOM 0 HB3 MET B 7 2.209 -5.606 5.681 1.00 0.00 H new ATOM 0 HG2 MET B 7 2.953 -5.692 8.054 1.00 0.00 H new ATOM 0 HG3 MET B 7 1.832 -6.999 8.379 1.00 0.00 H new ATOM 0 HE1 MET B 7 5.635 -6.973 5.846 1.00 0.00 H new ATOM 0 HE2 MET B 7 4.146 -6.678 4.918 1.00 0.00 H new ATOM 0 HE3 MET B 7 4.559 -5.629 6.295 1.00 0.00 H new ATOM 1592 N VAL B 8 -0.334 -5.883 9.077 1.00 0.00 N ATOM 1593 CA VAL B 8 -1.306 -6.581 9.968 1.00 0.00 C ATOM 1594 C VAL B 8 -2.575 -5.725 10.083 1.00 0.00 C ATOM 1595 O VAL B 8 -3.673 -6.174 9.824 1.00 0.00 O ATOM 1596 CB VAL B 8 -0.660 -6.775 11.355 1.00 0.00 C ATOM 1597 CG1 VAL B 8 -1.732 -6.987 12.431 1.00 0.00 C ATOM 1598 CG2 VAL B 8 0.265 -7.995 11.318 1.00 0.00 C ATOM 0 H VAL B 8 0.444 -5.427 9.553 1.00 0.00 H new ATOM 0 HA VAL B 8 -1.570 -7.556 9.559 1.00 0.00 H new ATOM 0 HB VAL B 8 -0.091 -5.879 11.601 1.00 0.00 H new ATOM 0 HG11 VAL B 8 -1.253 -7.122 13.401 1.00 0.00 H new ATOM 0 HG12 VAL B 8 -2.388 -6.117 12.468 1.00 0.00 H new ATOM 0 HG13 VAL B 8 -2.319 -7.873 12.190 1.00 0.00 H new ATOM 0 HG21 VAL B 8 0.723 -8.134 12.297 1.00 0.00 H new ATOM 0 HG22 VAL B 8 -0.313 -8.882 11.058 1.00 0.00 H new ATOM 0 HG23 VAL B 8 1.044 -7.838 10.572 1.00 0.00 H new ATOM 1608 N ALA B 9 -2.418 -4.498 10.483 1.00 0.00 N ATOM 1609 CA ALA B 9 -3.596 -3.601 10.634 1.00 0.00 C ATOM 1610 C ALA B 9 -4.457 -3.641 9.363 1.00 0.00 C ATOM 1611 O ALA B 9 -5.667 -3.507 9.416 1.00 0.00 O ATOM 1612 CB ALA B 9 -3.117 -2.170 10.884 1.00 0.00 C ATOM 0 H ALA B 9 -1.520 -4.074 10.714 1.00 0.00 H new ATOM 0 HA ALA B 9 -4.196 -3.939 11.479 1.00 0.00 H new ATOM 0 HB1 ALA B 9 -3.979 -1.512 10.995 1.00 0.00 H new ATOM 0 HB2 ALA B 9 -2.519 -2.140 11.795 1.00 0.00 H new ATOM 0 HB3 ALA B 9 -2.512 -1.836 10.041 1.00 0.00 H new ATOM 1618 N LEU B 10 -3.852 -3.814 8.217 1.00 0.00 N ATOM 1619 CA LEU B 10 -4.650 -3.843 6.956 1.00 0.00 C ATOM 1620 C LEU B 10 -5.354 -5.200 6.802 1.00 0.00 C ATOM 1621 O LEU B 10 -6.497 -5.259 6.431 1.00 0.00 O ATOM 1622 CB LEU B 10 -3.709 -3.584 5.759 1.00 0.00 C ATOM 1623 CG LEU B 10 -3.702 -2.080 5.402 1.00 0.00 C ATOM 1624 CD1 LEU B 10 -2.389 -1.715 4.712 1.00 0.00 C ATOM 1625 CD2 LEU B 10 -4.865 -1.766 4.452 1.00 0.00 C ATOM 0 H LEU B 10 -2.846 -3.936 8.100 1.00 0.00 H new ATOM 0 HA LEU B 10 -5.415 -3.067 6.990 1.00 0.00 H new ATOM 0 HB2 LEU B 10 -2.699 -3.912 6.004 1.00 0.00 H new ATOM 0 HB3 LEU B 10 -4.034 -4.168 4.898 1.00 0.00 H new ATOM 0 HG LEU B 10 -3.808 -1.502 6.320 1.00 0.00 H new ATOM 0 HD11 LEU B 10 -2.391 -0.654 4.463 1.00 0.00 H new ATOM 0 HD12 LEU B 10 -1.555 -1.929 5.380 1.00 0.00 H new ATOM 0 HD13 LEU B 10 -2.282 -2.301 3.799 1.00 0.00 H new ATOM 0 HD21 LEU B 10 -4.855 -0.705 4.204 1.00 0.00 H new ATOM 0 HD22 LEU B 10 -4.758 -2.353 3.540 1.00 0.00 H new ATOM 0 HD23 LEU B 10 -5.809 -2.017 4.937 1.00 0.00 H new ATOM 1637 N ILE B 11 -4.687 -6.284 7.080 1.00 0.00 N ATOM 1638 CA ILE B 11 -5.339 -7.623 6.937 1.00 0.00 C ATOM 1639 C ILE B 11 -6.719 -7.583 7.604 1.00 0.00 C ATOM 1640 O ILE B 11 -7.656 -8.208 7.153 1.00 0.00 O ATOM 1641 CB ILE B 11 -4.463 -8.693 7.610 1.00 0.00 C ATOM 1642 CG1 ILE B 11 -3.264 -8.993 6.703 1.00 0.00 C ATOM 1643 CG2 ILE B 11 -5.267 -9.984 7.822 1.00 0.00 C ATOM 1644 CD1 ILE B 11 -2.220 -9.839 7.447 1.00 0.00 C ATOM 0 H ILE B 11 -3.719 -6.305 7.400 1.00 0.00 H new ATOM 0 HA ILE B 11 -5.454 -7.869 5.881 1.00 0.00 H new ATOM 0 HB ILE B 11 -4.125 -8.323 8.578 1.00 0.00 H new ATOM 0 HG12 ILE B 11 -3.600 -9.522 5.811 1.00 0.00 H new ATOM 0 HG13 ILE B 11 -2.812 -8.059 6.369 1.00 0.00 H new ATOM 0 HG21 ILE B 11 -4.634 -10.732 8.299 1.00 0.00 H new ATOM 0 HG22 ILE B 11 -6.127 -9.777 8.459 1.00 0.00 H new ATOM 0 HG23 ILE B 11 -5.611 -10.361 6.859 1.00 0.00 H new ATOM 0 HD11 ILE B 11 -1.377 -10.041 6.786 1.00 0.00 H new ATOM 0 HD12 ILE B 11 -1.870 -9.296 8.325 1.00 0.00 H new ATOM 0 HD13 ILE B 11 -2.670 -10.781 7.759 1.00 0.00 H new ATOM 1656 N ASP B 12 -6.848 -6.857 8.677 1.00 0.00 N ATOM 1657 CA ASP B 12 -8.168 -6.787 9.368 1.00 0.00 C ATOM 1658 C ASP B 12 -9.147 -5.967 8.528 1.00 0.00 C ATOM 1659 O ASP B 12 -10.250 -6.392 8.247 1.00 0.00 O ATOM 1660 CB ASP B 12 -7.995 -6.133 10.742 1.00 0.00 C ATOM 1661 CG ASP B 12 -9.235 -6.401 11.598 1.00 0.00 C ATOM 1662 OD1 ASP B 12 -9.517 -7.560 11.852 1.00 0.00 O ATOM 1663 OD2 ASP B 12 -9.882 -5.441 11.986 1.00 0.00 O ATOM 0 H ASP B 12 -6.101 -6.310 9.106 1.00 0.00 H new ATOM 0 HA ASP B 12 -8.561 -7.796 9.495 1.00 0.00 H new ATOM 0 HB2 ASP B 12 -7.108 -6.529 11.235 1.00 0.00 H new ATOM 0 HB3 ASP B 12 -7.844 -5.059 10.629 1.00 0.00 H new ATOM 1668 N VAL B 13 -8.753 -4.793 8.126 1.00 0.00 N ATOM 1669 CA VAL B 13 -9.655 -3.937 7.304 1.00 0.00 C ATOM 1670 C VAL B 13 -9.681 -4.453 5.859 1.00 0.00 C ATOM 1671 O VAL B 13 -10.635 -4.256 5.133 1.00 0.00 O ATOM 1672 CB VAL B 13 -9.147 -2.491 7.352 1.00 0.00 C ATOM 1673 CG1 VAL B 13 -10.205 -1.547 6.776 1.00 0.00 C ATOM 1674 CG2 VAL B 13 -8.859 -2.106 8.811 1.00 0.00 C ATOM 0 H VAL B 13 -7.841 -4.386 8.332 1.00 0.00 H new ATOM 0 HA VAL B 13 -10.670 -3.973 7.700 1.00 0.00 H new ATOM 0 HB VAL B 13 -8.235 -2.408 6.760 1.00 0.00 H new ATOM 0 HG11 VAL B 13 -9.837 -0.522 6.814 1.00 0.00 H new ATOM 0 HG12 VAL B 13 -10.412 -1.821 5.741 1.00 0.00 H new ATOM 0 HG13 VAL B 13 -11.121 -1.625 7.362 1.00 0.00 H new ATOM 0 HG21 VAL B 13 -8.497 -1.079 8.852 1.00 0.00 H new ATOM 0 HG22 VAL B 13 -9.774 -2.192 9.397 1.00 0.00 H new ATOM 0 HG23 VAL B 13 -8.101 -2.774 9.221 1.00 0.00 H new ATOM 1684 N PHE B 14 -8.636 -5.111 5.441 1.00 0.00 N ATOM 1685 CA PHE B 14 -8.597 -5.639 4.042 1.00 0.00 C ATOM 1686 C PHE B 14 -9.533 -6.852 3.917 1.00 0.00 C ATOM 1687 O PHE B 14 -10.314 -6.950 2.991 1.00 0.00 O ATOM 1688 CB PHE B 14 -7.158 -6.035 3.672 1.00 0.00 C ATOM 1689 CG PHE B 14 -7.149 -6.913 2.431 1.00 0.00 C ATOM 1690 CD1 PHE B 14 -7.784 -6.482 1.259 1.00 0.00 C ATOM 1691 CD2 PHE B 14 -6.505 -8.159 2.456 1.00 0.00 C ATOM 1692 CE1 PHE B 14 -7.776 -7.292 0.117 1.00 0.00 C ATOM 1693 CE2 PHE B 14 -6.499 -8.968 1.313 1.00 0.00 C ATOM 1694 CZ PHE B 14 -7.134 -8.534 0.145 1.00 0.00 C ATOM 0 H PHE B 14 -7.808 -5.307 6.003 1.00 0.00 H new ATOM 0 HA PHE B 14 -8.934 -4.862 3.355 1.00 0.00 H new ATOM 0 HB2 PHE B 14 -6.562 -5.139 3.495 1.00 0.00 H new ATOM 0 HB3 PHE B 14 -6.696 -6.566 4.504 1.00 0.00 H new ATOM 0 HD1 PHE B 14 -8.281 -5.523 1.236 1.00 0.00 H new ATOM 0 HD2 PHE B 14 -6.014 -8.495 3.357 1.00 0.00 H new ATOM 0 HE1 PHE B 14 -8.266 -6.958 -0.786 1.00 0.00 H new ATOM 0 HE2 PHE B 14 -6.004 -9.928 1.333 1.00 0.00 H new ATOM 0 HZ PHE B 14 -7.129 -9.159 -0.736 1.00 0.00 H new ATOM 1704 N HIS B 15 -9.448 -7.782 4.827 1.00 0.00 N ATOM 1705 CA HIS B 15 -10.318 -8.993 4.743 1.00 0.00 C ATOM 1706 C HIS B 15 -11.756 -8.632 5.153 1.00 0.00 C ATOM 1707 O HIS B 15 -12.707 -9.223 4.686 1.00 0.00 O ATOM 1708 CB HIS B 15 -9.744 -10.081 5.683 1.00 0.00 C ATOM 1709 CG HIS B 15 -9.833 -11.453 5.055 1.00 0.00 C ATOM 1710 ND1 HIS B 15 -10.203 -12.572 5.784 1.00 0.00 N ATOM 1711 CD2 HIS B 15 -9.568 -11.908 3.784 1.00 0.00 C ATOM 1712 CE1 HIS B 15 -10.146 -13.634 4.958 1.00 0.00 C ATOM 1713 NE2 HIS B 15 -9.763 -13.284 3.727 1.00 0.00 N ATOM 0 H HIS B 15 -8.814 -7.758 5.626 1.00 0.00 H new ATOM 0 HA HIS B 15 -10.338 -9.370 3.720 1.00 0.00 H new ATOM 0 HB2 HIS B 15 -8.704 -9.852 5.915 1.00 0.00 H new ATOM 0 HB3 HIS B 15 -10.290 -10.074 6.626 1.00 0.00 H new ATOM 0 HD2 HIS B 15 -9.256 -11.290 2.955 1.00 0.00 H new ATOM 0 HE1 HIS B 15 -10.381 -14.645 5.255 1.00 0.00 H new ATOM 0 HE2 HIS B 15 -9.640 -13.894 2.919 1.00 0.00 H new ATOM 1721 N GLN B 16 -11.920 -7.674 6.026 1.00 0.00 N ATOM 1722 CA GLN B 16 -13.295 -7.290 6.469 1.00 0.00 C ATOM 1723 C GLN B 16 -14.068 -6.648 5.311 1.00 0.00 C ATOM 1724 O GLN B 16 -15.240 -6.908 5.109 1.00 0.00 O ATOM 1725 CB GLN B 16 -13.193 -6.289 7.628 1.00 0.00 C ATOM 1726 CG GLN B 16 -12.866 -7.033 8.926 1.00 0.00 C ATOM 1727 CD GLN B 16 -14.127 -7.723 9.450 1.00 0.00 C ATOM 1728 OE1 GLN B 16 -15.150 -7.727 8.794 1.00 0.00 O ATOM 1729 NE2 GLN B 16 -14.100 -8.311 10.615 1.00 0.00 N ATOM 0 H GLN B 16 -11.163 -7.140 6.452 1.00 0.00 H new ATOM 0 HA GLN B 16 -13.825 -8.185 6.795 1.00 0.00 H new ATOM 0 HB2 GLN B 16 -12.420 -5.550 7.416 1.00 0.00 H new ATOM 0 HB3 GLN B 16 -14.132 -5.746 7.736 1.00 0.00 H new ATOM 0 HG2 GLN B 16 -12.083 -7.770 8.748 1.00 0.00 H new ATOM 0 HG3 GLN B 16 -12.484 -6.335 9.671 1.00 0.00 H new ATOM 0 HE21 GLN B 16 -13.243 -8.309 11.168 1.00 0.00 H new ATOM 0 HE22 GLN B 16 -14.936 -8.772 10.973 1.00 0.00 H new ATOM 1738 N TYR B 17 -13.420 -5.825 4.536 1.00 0.00 N ATOM 1739 CA TYR B 17 -14.118 -5.177 3.385 1.00 0.00 C ATOM 1740 C TYR B 17 -13.985 -6.078 2.166 1.00 0.00 C ATOM 1741 O TYR B 17 -14.965 -6.508 1.589 1.00 0.00 O ATOM 1742 CB TYR B 17 -13.488 -3.801 3.108 1.00 0.00 C ATOM 1743 CG TYR B 17 -14.141 -2.762 3.992 1.00 0.00 C ATOM 1744 CD1 TYR B 17 -15.276 -2.080 3.541 1.00 0.00 C ATOM 1745 CD2 TYR B 17 -13.621 -2.495 5.263 1.00 0.00 C ATOM 1746 CE1 TYR B 17 -15.892 -1.130 4.360 1.00 0.00 C ATOM 1747 CE2 TYR B 17 -14.237 -1.541 6.083 1.00 0.00 C ATOM 1748 CZ TYR B 17 -15.373 -0.859 5.631 1.00 0.00 C ATOM 1749 OH TYR B 17 -15.984 0.075 6.439 1.00 0.00 O ATOM 0 H TYR B 17 -12.438 -5.571 4.647 1.00 0.00 H new ATOM 0 HA TYR B 17 -15.174 -5.033 3.616 1.00 0.00 H new ATOM 0 HB2 TYR B 17 -12.415 -3.835 3.299 1.00 0.00 H new ATOM 0 HB3 TYR B 17 -13.617 -3.534 2.059 1.00 0.00 H new ATOM 0 HD1 TYR B 17 -15.676 -2.288 2.560 1.00 0.00 H new ATOM 0 HD2 TYR B 17 -12.746 -3.024 5.611 1.00 0.00 H new ATOM 0 HE1 TYR B 17 -16.769 -0.605 4.012 1.00 0.00 H new ATOM 0 HE2 TYR B 17 -13.836 -1.332 7.064 1.00 0.00 H new ATOM 0 HH TYR B 17 -15.658 -0.024 7.358 1.00 0.00 H new ATOM 1759 N SER B 18 -12.786 -6.390 1.777 1.00 0.00 N ATOM 1760 CA SER B 18 -12.608 -7.285 0.610 1.00 0.00 C ATOM 1761 C SER B 18 -13.419 -8.560 0.854 1.00 0.00 C ATOM 1762 O SER B 18 -13.749 -9.288 -0.060 1.00 0.00 O ATOM 1763 CB SER B 18 -11.126 -7.620 0.449 1.00 0.00 C ATOM 1764 OG SER B 18 -10.358 -6.448 0.677 1.00 0.00 O ATOM 0 H SER B 18 -11.924 -6.065 2.215 1.00 0.00 H new ATOM 0 HA SER B 18 -12.955 -6.799 -0.302 1.00 0.00 H new ATOM 0 HB2 SER B 18 -10.838 -8.401 1.153 1.00 0.00 H new ATOM 0 HB3 SER B 18 -10.934 -8.007 -0.552 1.00 0.00 H new ATOM 0 HG SER B 18 -9.687 -6.626 1.369 1.00 0.00 H new ATOM 1770 N GLY B 19 -13.741 -8.829 2.097 1.00 0.00 N ATOM 1771 CA GLY B 19 -14.534 -10.050 2.434 1.00 0.00 C ATOM 1772 C GLY B 19 -16.007 -9.679 2.640 1.00 0.00 C ATOM 1773 O GLY B 19 -16.841 -10.536 2.852 1.00 0.00 O ATOM 0 H GLY B 19 -13.486 -8.250 2.897 1.00 0.00 H new ATOM 0 HA2 GLY B 19 -14.444 -10.784 1.634 1.00 0.00 H new ATOM 0 HA3 GLY B 19 -14.137 -10.513 3.337 1.00 0.00 H new ATOM 1777 N ARG B 20 -16.346 -8.418 2.562 1.00 0.00 N ATOM 1778 CA ARG B 20 -17.775 -8.025 2.735 1.00 0.00 C ATOM 1779 C ARG B 20 -18.599 -8.696 1.639 1.00 0.00 C ATOM 1780 O ARG B 20 -19.666 -9.227 1.880 1.00 0.00 O ATOM 1781 CB ARG B 20 -17.898 -6.498 2.616 1.00 0.00 C ATOM 1782 CG ARG B 20 -19.351 -6.052 2.840 1.00 0.00 C ATOM 1783 CD ARG B 20 -19.517 -4.599 2.392 1.00 0.00 C ATOM 1784 NE ARG B 20 -18.747 -3.705 3.301 1.00 0.00 N ATOM 1785 CZ ARG B 20 -19.213 -3.427 4.487 1.00 0.00 C ATOM 1786 NH1 ARG B 20 -20.348 -3.937 4.877 1.00 0.00 N ATOM 1787 NH2 ARG B 20 -18.545 -2.637 5.282 1.00 0.00 N ATOM 0 H ARG B 20 -15.700 -7.649 2.387 1.00 0.00 H new ATOM 0 HA ARG B 20 -18.138 -8.337 3.714 1.00 0.00 H new ATOM 0 HB2 ARG B 20 -17.248 -6.018 3.347 1.00 0.00 H new ATOM 0 HB3 ARG B 20 -17.561 -6.177 1.630 1.00 0.00 H new ATOM 0 HG2 ARG B 20 -20.030 -6.695 2.280 1.00 0.00 H new ATOM 0 HG3 ARG B 20 -19.614 -6.151 3.893 1.00 0.00 H new ATOM 0 HD2 ARG B 20 -19.166 -4.482 1.367 1.00 0.00 H new ATOM 0 HD3 ARG B 20 -20.571 -4.323 2.401 1.00 0.00 H new ATOM 0 HE ARG B 20 -17.857 -3.311 2.997 1.00 0.00 H new ATOM 0 HH11 ARG B 20 -20.871 -4.553 4.255 1.00 0.00 H new ATOM 0 HH12 ARG B 20 -20.713 -3.720 5.804 1.00 0.00 H new ATOM 0 HH21 ARG B 20 -17.658 -2.237 4.976 1.00 0.00 H new ATOM 0 HH22 ARG B 20 -18.910 -2.420 6.209 1.00 0.00 H new ATOM 1801 N GLU B 21 -18.107 -8.676 0.434 1.00 0.00 N ATOM 1802 CA GLU B 21 -18.855 -9.313 -0.687 1.00 0.00 C ATOM 1803 C GLU B 21 -17.912 -9.535 -1.875 1.00 0.00 C ATOM 1804 O GLU B 21 -16.789 -9.072 -1.886 1.00 0.00 O ATOM 1805 CB GLU B 21 -20.020 -8.406 -1.101 1.00 0.00 C ATOM 1806 CG GLU B 21 -19.581 -6.943 -1.029 1.00 0.00 C ATOM 1807 CD GLU B 21 -20.650 -6.060 -1.677 1.00 0.00 C ATOM 1808 OE1 GLU B 21 -21.573 -6.609 -2.255 1.00 0.00 O ATOM 1809 OE2 GLU B 21 -20.528 -4.850 -1.581 1.00 0.00 O ATOM 0 H GLU B 21 -17.219 -8.246 0.175 1.00 0.00 H new ATOM 0 HA GLU B 21 -19.249 -10.277 -0.364 1.00 0.00 H new ATOM 0 HB2 GLU B 21 -20.342 -8.650 -2.113 1.00 0.00 H new ATOM 0 HB3 GLU B 21 -20.875 -8.573 -0.445 1.00 0.00 H new ATOM 0 HG2 GLU B 21 -19.430 -6.648 0.009 1.00 0.00 H new ATOM 0 HG3 GLU B 21 -18.627 -6.812 -1.540 1.00 0.00 H new ATOM 1816 N GLY B 22 -18.364 -10.249 -2.877 1.00 0.00 N ATOM 1817 CA GLY B 22 -17.502 -10.516 -4.071 1.00 0.00 C ATOM 1818 C GLY B 22 -16.852 -11.889 -3.923 1.00 0.00 C ATOM 1819 O GLY B 22 -17.226 -12.671 -3.072 1.00 0.00 O ATOM 0 H GLY B 22 -19.297 -10.660 -2.919 1.00 0.00 H new ATOM 0 HA2 GLY B 22 -18.100 -10.480 -4.982 1.00 0.00 H new ATOM 0 HA3 GLY B 22 -16.736 -9.746 -4.161 1.00 0.00 H new ATOM 1823 N ASP B 23 -15.874 -12.192 -4.740 1.00 0.00 N ATOM 1824 CA ASP B 23 -15.198 -13.518 -4.632 1.00 0.00 C ATOM 1825 C ASP B 23 -14.872 -13.792 -3.166 1.00 0.00 C ATOM 1826 O ASP B 23 -15.447 -14.662 -2.543 1.00 0.00 O ATOM 1827 CB ASP B 23 -13.903 -13.504 -5.447 1.00 0.00 C ATOM 1828 CG ASP B 23 -14.238 -13.542 -6.938 1.00 0.00 C ATOM 1829 OD1 ASP B 23 -14.775 -14.544 -7.379 1.00 0.00 O ATOM 1830 OD2 ASP B 23 -13.954 -12.566 -7.614 1.00 0.00 O ATOM 0 H ASP B 23 -15.517 -11.580 -5.474 1.00 0.00 H new ATOM 0 HA ASP B 23 -15.856 -14.297 -5.017 1.00 0.00 H new ATOM 0 HB2 ASP B 23 -13.325 -12.609 -5.216 1.00 0.00 H new ATOM 0 HB3 ASP B 23 -13.284 -14.361 -5.181 1.00 0.00 H new ATOM 1835 N LYS B 24 -13.961 -13.045 -2.602 1.00 0.00 N ATOM 1836 CA LYS B 24 -13.617 -13.256 -1.169 1.00 0.00 C ATOM 1837 C LYS B 24 -12.598 -12.200 -0.722 1.00 0.00 C ATOM 1838 O LYS B 24 -12.705 -11.661 0.358 1.00 0.00 O ATOM 1839 CB LYS B 24 -13.033 -14.684 -0.969 1.00 0.00 C ATOM 1840 CG LYS B 24 -13.687 -15.381 0.243 1.00 0.00 C ATOM 1841 CD LYS B 24 -13.190 -14.746 1.566 1.00 0.00 C ATOM 1842 CE LYS B 24 -14.299 -14.804 2.625 1.00 0.00 C ATOM 1843 NZ LYS B 24 -13.716 -14.557 3.973 1.00 0.00 N ATOM 0 H LYS B 24 -13.443 -12.301 -3.070 1.00 0.00 H new ATOM 0 HA LYS B 24 -14.518 -13.158 -0.564 1.00 0.00 H new ATOM 0 HB2 LYS B 24 -13.198 -15.278 -1.868 1.00 0.00 H new ATOM 0 HB3 LYS B 24 -11.955 -14.623 -0.821 1.00 0.00 H new ATOM 0 HG2 LYS B 24 -14.772 -15.297 0.177 1.00 0.00 H new ATOM 0 HG3 LYS B 24 -13.449 -16.445 0.231 1.00 0.00 H new ATOM 0 HD2 LYS B 24 -12.306 -15.275 1.923 1.00 0.00 H new ATOM 0 HD3 LYS B 24 -12.894 -13.711 1.394 1.00 0.00 H new ATOM 0 HE2 LYS B 24 -15.064 -14.059 2.406 1.00 0.00 H new ATOM 0 HE3 LYS B 24 -14.787 -15.778 2.602 1.00 0.00 H new ATOM 0 HZ1 LYS B 24 -14.469 -14.597 4.689 1.00 0.00 H new ATOM 0 HZ2 LYS B 24 -13.002 -15.284 4.181 1.00 0.00 H new ATOM 0 HZ3 LYS B 24 -13.270 -13.618 3.991 1.00 0.00 H new ATOM 1857 N HIS B 25 -11.622 -11.883 -1.545 1.00 0.00 N ATOM 1858 CA HIS B 25 -10.602 -10.856 -1.146 1.00 0.00 C ATOM 1859 C HIS B 25 -10.371 -9.852 -2.278 1.00 0.00 C ATOM 1860 O HIS B 25 -9.287 -9.742 -2.815 1.00 0.00 O ATOM 1861 CB HIS B 25 -9.274 -11.551 -0.809 1.00 0.00 C ATOM 1862 CG HIS B 25 -9.520 -12.779 0.034 1.00 0.00 C ATOM 1863 ND1 HIS B 25 -8.881 -13.985 -0.219 1.00 0.00 N ATOM 1864 CD2 HIS B 25 -10.316 -13.007 1.130 1.00 0.00 C ATOM 1865 CE1 HIS B 25 -9.301 -14.875 0.696 1.00 0.00 C ATOM 1866 NE2 HIS B 25 -10.175 -14.330 1.539 1.00 0.00 N ATOM 0 H HIS B 25 -11.488 -12.289 -2.471 1.00 0.00 H new ATOM 0 HA HIS B 25 -10.976 -10.322 -0.272 1.00 0.00 H new ATOM 0 HB2 HIS B 25 -8.759 -11.831 -1.728 1.00 0.00 H new ATOM 0 HB3 HIS B 25 -8.621 -10.861 -0.275 1.00 0.00 H new ATOM 0 HD1 HIS B 25 -8.211 -14.164 -0.967 1.00 0.00 H new ATOM 0 HD2 HIS B 25 -10.953 -12.273 1.602 1.00 0.00 H new ATOM 0 HE1 HIS B 25 -8.971 -15.902 0.742 1.00 0.00 H new ATOM 1874 N LYS B 26 -11.378 -9.093 -2.618 1.00 0.00 N ATOM 1875 CA LYS B 26 -11.234 -8.060 -3.679 1.00 0.00 C ATOM 1876 C LYS B 26 -12.079 -6.858 -3.264 1.00 0.00 C ATOM 1877 O LYS B 26 -13.082 -7.011 -2.597 1.00 0.00 O ATOM 1878 CB LYS B 26 -11.727 -8.613 -5.014 1.00 0.00 C ATOM 1879 CG LYS B 26 -11.261 -7.694 -6.141 1.00 0.00 C ATOM 1880 CD LYS B 26 -11.999 -8.055 -7.428 1.00 0.00 C ATOM 1881 CE LYS B 26 -11.757 -9.527 -7.776 1.00 0.00 C ATOM 1882 NZ LYS B 26 -12.030 -9.738 -9.225 1.00 0.00 N ATOM 0 H LYS B 26 -12.306 -9.147 -2.198 1.00 0.00 H new ATOM 0 HA LYS B 26 -10.190 -7.771 -3.798 1.00 0.00 H new ATOM 0 HB2 LYS B 26 -11.342 -9.621 -5.168 1.00 0.00 H new ATOM 0 HB3 LYS B 26 -12.815 -8.684 -5.013 1.00 0.00 H new ATOM 0 HG2 LYS B 26 -11.452 -6.653 -5.879 1.00 0.00 H new ATOM 0 HG3 LYS B 26 -10.185 -7.794 -6.285 1.00 0.00 H new ATOM 0 HD2 LYS B 26 -13.067 -7.872 -7.308 1.00 0.00 H new ATOM 0 HD3 LYS B 26 -11.656 -7.419 -8.244 1.00 0.00 H new ATOM 0 HE2 LYS B 26 -10.729 -9.804 -7.543 1.00 0.00 H new ATOM 0 HE3 LYS B 26 -12.403 -10.166 -7.175 1.00 0.00 H new ATOM 0 HZ1 LYS B 26 -12.666 -10.552 -9.343 1.00 0.00 H new ATOM 0 HZ2 LYS B 26 -12.479 -8.888 -9.621 1.00 0.00 H new ATOM 0 HZ3 LYS B 26 -11.136 -9.921 -9.724 1.00 0.00 H new ATOM 1896 N LEU B 27 -11.690 -5.664 -3.634 1.00 0.00 N ATOM 1897 CA LEU B 27 -12.488 -4.460 -3.223 1.00 0.00 C ATOM 1898 C LEU B 27 -13.439 -4.021 -4.343 1.00 0.00 C ATOM 1899 O LEU B 27 -13.051 -3.792 -5.472 1.00 0.00 O ATOM 1900 CB LEU B 27 -11.542 -3.283 -2.891 1.00 0.00 C ATOM 1901 CG LEU B 27 -11.139 -3.272 -1.396 1.00 0.00 C ATOM 1902 CD1 LEU B 27 -9.959 -4.221 -1.162 1.00 0.00 C ATOM 1903 CD2 LEU B 27 -10.732 -1.852 -1.009 1.00 0.00 C ATOM 0 H LEU B 27 -10.863 -5.468 -4.198 1.00 0.00 H new ATOM 0 HA LEU B 27 -13.071 -4.734 -2.344 1.00 0.00 H new ATOM 0 HB2 LEU B 27 -10.646 -3.352 -3.508 1.00 0.00 H new ATOM 0 HB3 LEU B 27 -12.031 -2.342 -3.142 1.00 0.00 H new ATOM 0 HG LEU B 27 -11.982 -3.601 -0.789 1.00 0.00 H new ATOM 0 HD11 LEU B 27 -9.683 -4.206 -0.108 1.00 0.00 H new ATOM 0 HD12 LEU B 27 -10.244 -5.233 -1.448 1.00 0.00 H new ATOM 0 HD13 LEU B 27 -9.109 -3.900 -1.764 1.00 0.00 H new ATOM 0 HD21 LEU B 27 -10.445 -1.829 0.042 1.00 0.00 H new ATOM 0 HD22 LEU B 27 -9.888 -1.536 -1.622 1.00 0.00 H new ATOM 0 HD23 LEU B 27 -11.572 -1.176 -1.171 1.00 0.00 H new ATOM 1915 N LYS B 28 -14.679 -3.848 -3.985 1.00 0.00 N ATOM 1916 CA LYS B 28 -15.708 -3.352 -4.948 1.00 0.00 C ATOM 1917 C LYS B 28 -16.045 -1.914 -4.551 1.00 0.00 C ATOM 1918 O LYS B 28 -15.820 -1.517 -3.425 1.00 0.00 O ATOM 1919 CB LYS B 28 -16.960 -4.233 -4.869 1.00 0.00 C ATOM 1920 CG LYS B 28 -16.544 -5.691 -4.622 1.00 0.00 C ATOM 1921 CD LYS B 28 -17.635 -6.641 -5.125 1.00 0.00 C ATOM 1922 CE LYS B 28 -19.010 -6.222 -4.579 1.00 0.00 C ATOM 1923 NZ LYS B 28 -19.635 -5.242 -5.512 1.00 0.00 N ATOM 0 H LYS B 28 -15.033 -4.033 -3.046 1.00 0.00 H new ATOM 0 HA LYS B 28 -15.335 -3.388 -5.972 1.00 0.00 H new ATOM 0 HB2 LYS B 28 -17.611 -3.888 -4.065 1.00 0.00 H new ATOM 0 HB3 LYS B 28 -17.530 -4.158 -5.795 1.00 0.00 H new ATOM 0 HG2 LYS B 28 -15.604 -5.901 -5.133 1.00 0.00 H new ATOM 0 HG3 LYS B 28 -16.372 -5.853 -3.558 1.00 0.00 H new ATOM 0 HD2 LYS B 28 -17.654 -6.638 -6.215 1.00 0.00 H new ATOM 0 HD3 LYS B 28 -17.409 -7.661 -4.813 1.00 0.00 H new ATOM 0 HE2 LYS B 28 -19.652 -7.096 -4.469 1.00 0.00 H new ATOM 0 HE3 LYS B 28 -18.901 -5.780 -3.589 1.00 0.00 H new ATOM 0 HZ1 LYS B 28 -19.578 -4.288 -5.102 1.00 0.00 H new ATOM 0 HZ2 LYS B 28 -19.131 -5.259 -6.422 1.00 0.00 H new ATOM 0 HZ3 LYS B 28 -20.632 -5.495 -5.664 1.00 0.00 H new ATOM 1937 N LYS B 29 -16.562 -1.120 -5.452 1.00 0.00 N ATOM 1938 CA LYS B 29 -16.887 0.296 -5.092 1.00 0.00 C ATOM 1939 C LYS B 29 -17.605 0.325 -3.732 1.00 0.00 C ATOM 1940 O LYS B 29 -17.256 1.085 -2.851 1.00 0.00 O ATOM 1941 CB LYS B 29 -17.779 0.915 -6.192 1.00 0.00 C ATOM 1942 CG LYS B 29 -17.485 2.417 -6.347 1.00 0.00 C ATOM 1943 CD LYS B 29 -18.173 2.951 -7.610 1.00 0.00 C ATOM 1944 CE LYS B 29 -19.669 2.632 -7.567 1.00 0.00 C ATOM 1945 NZ LYS B 29 -20.391 3.532 -8.511 1.00 0.00 N ATOM 0 H LYS B 29 -16.773 -1.386 -6.414 1.00 0.00 H new ATOM 0 HA LYS B 29 -15.970 0.880 -5.017 1.00 0.00 H new ATOM 0 HB2 LYS B 29 -17.604 0.405 -7.139 1.00 0.00 H new ATOM 0 HB3 LYS B 29 -18.830 0.769 -5.941 1.00 0.00 H new ATOM 0 HG2 LYS B 29 -17.840 2.959 -5.471 1.00 0.00 H new ATOM 0 HG3 LYS B 29 -16.409 2.582 -6.410 1.00 0.00 H new ATOM 0 HD2 LYS B 29 -18.025 4.028 -7.687 1.00 0.00 H new ATOM 0 HD3 LYS B 29 -17.723 2.503 -8.496 1.00 0.00 H new ATOM 0 HE2 LYS B 29 -19.838 1.590 -7.838 1.00 0.00 H new ATOM 0 HE3 LYS B 29 -20.052 2.764 -6.555 1.00 0.00 H new ATOM 0 HZ1 LYS B 29 -21.262 3.880 -8.061 1.00 0.00 H new ATOM 0 HZ2 LYS B 29 -19.782 4.338 -8.756 1.00 0.00 H new ATOM 0 HZ3 LYS B 29 -20.634 3.006 -9.375 1.00 0.00 H new ATOM 1959 N SER B 30 -18.592 -0.510 -3.554 1.00 0.00 N ATOM 1960 CA SER B 30 -19.320 -0.543 -2.251 1.00 0.00 C ATOM 1961 C SER B 30 -18.303 -0.600 -1.106 1.00 0.00 C ATOM 1962 O SER B 30 -18.624 -0.345 0.034 1.00 0.00 O ATOM 1963 CB SER B 30 -20.216 -1.782 -2.192 1.00 0.00 C ATOM 1964 OG SER B 30 -21.351 -1.580 -3.024 1.00 0.00 O ATOM 0 H SER B 30 -18.927 -1.172 -4.254 1.00 0.00 H new ATOM 0 HA SER B 30 -19.934 0.353 -2.156 1.00 0.00 H new ATOM 0 HB2 SER B 30 -19.662 -2.662 -2.520 1.00 0.00 H new ATOM 0 HB3 SER B 30 -20.532 -1.968 -1.165 1.00 0.00 H new ATOM 0 HG SER B 30 -21.927 -2.372 -2.990 1.00 0.00 H new ATOM 1970 N GLU B 31 -17.071 -0.914 -1.410 1.00 0.00 N ATOM 1971 CA GLU B 31 -16.020 -0.975 -0.348 1.00 0.00 C ATOM 1972 C GLU B 31 -15.223 0.318 -0.373 1.00 0.00 C ATOM 1973 O GLU B 31 -14.916 0.889 0.649 1.00 0.00 O ATOM 1974 CB GLU B 31 -15.089 -2.163 -0.615 1.00 0.00 C ATOM 1975 CG GLU B 31 -15.923 -3.439 -0.774 1.00 0.00 C ATOM 1976 CD GLU B 31 -15.027 -4.673 -0.629 1.00 0.00 C ATOM 1977 OE1 GLU B 31 -13.975 -4.554 -0.025 1.00 0.00 O ATOM 1978 OE2 GLU B 31 -15.413 -5.721 -1.124 1.00 0.00 O ATOM 0 H GLU B 31 -16.745 -1.132 -2.352 1.00 0.00 H new ATOM 0 HA GLU B 31 -16.486 -1.102 0.629 1.00 0.00 H new ATOM 0 HB2 GLU B 31 -14.503 -1.984 -1.516 1.00 0.00 H new ATOM 0 HB3 GLU B 31 -14.383 -2.277 0.207 1.00 0.00 H new ATOM 0 HG2 GLU B 31 -16.713 -3.463 -0.023 1.00 0.00 H new ATOM 0 HG3 GLU B 31 -16.410 -3.446 -1.749 1.00 0.00 H new ATOM 1985 N LEU B 32 -14.889 0.791 -1.531 1.00 0.00 N ATOM 1986 CA LEU B 32 -14.110 2.050 -1.606 1.00 0.00 C ATOM 1987 C LEU B 32 -14.918 3.188 -0.972 1.00 0.00 C ATOM 1988 O LEU B 32 -14.429 3.896 -0.118 1.00 0.00 O ATOM 1989 CB LEU B 32 -13.773 2.353 -3.084 1.00 0.00 C ATOM 1990 CG LEU B 32 -12.337 2.893 -3.218 1.00 0.00 C ATOM 1991 CD1 LEU B 32 -11.956 3.018 -4.707 1.00 0.00 C ATOM 1992 CD2 LEU B 32 -12.238 4.262 -2.527 1.00 0.00 C ATOM 0 H LEU B 32 -15.120 0.364 -2.428 1.00 0.00 H new ATOM 0 HA LEU B 32 -13.175 1.950 -1.055 1.00 0.00 H new ATOM 0 HB2 LEU B 32 -13.883 1.447 -3.680 1.00 0.00 H new ATOM 0 HB3 LEU B 32 -14.479 3.083 -3.481 1.00 0.00 H new ATOM 0 HG LEU B 32 -11.645 2.200 -2.740 1.00 0.00 H new ATOM 0 HD11 LEU B 32 -10.939 3.401 -4.791 1.00 0.00 H new ATOM 0 HD12 LEU B 32 -12.016 2.038 -5.181 1.00 0.00 H new ATOM 0 HD13 LEU B 32 -12.644 3.703 -5.202 1.00 0.00 H new ATOM 0 HD21 LEU B 32 -11.222 4.645 -2.622 1.00 0.00 H new ATOM 0 HD22 LEU B 32 -12.933 4.958 -2.997 1.00 0.00 H new ATOM 0 HD23 LEU B 32 -12.489 4.156 -1.472 1.00 0.00 H new ATOM 2004 N LYS B 33 -16.145 3.368 -1.371 1.00 0.00 N ATOM 2005 CA LYS B 33 -16.969 4.450 -0.780 1.00 0.00 C ATOM 2006 C LYS B 33 -17.251 4.137 0.694 1.00 0.00 C ATOM 2007 O LYS B 33 -17.314 5.021 1.527 1.00 0.00 O ATOM 2008 CB LYS B 33 -18.275 4.515 -1.568 1.00 0.00 C ATOM 2009 CG LYS B 33 -18.958 5.874 -1.376 1.00 0.00 C ATOM 2010 CD LYS B 33 -20.424 5.774 -1.841 1.00 0.00 C ATOM 2011 CE LYS B 33 -21.325 5.397 -0.661 1.00 0.00 C ATOM 2012 NZ LYS B 33 -21.501 6.584 0.224 1.00 0.00 N ATOM 0 H LYS B 33 -16.612 2.808 -2.084 1.00 0.00 H new ATOM 0 HA LYS B 33 -16.450 5.407 -0.830 1.00 0.00 H new ATOM 0 HB2 LYS B 33 -18.075 4.349 -2.627 1.00 0.00 H new ATOM 0 HB3 LYS B 33 -18.943 3.718 -1.241 1.00 0.00 H new ATOM 0 HG2 LYS B 33 -18.916 6.171 -0.328 1.00 0.00 H new ATOM 0 HG3 LYS B 33 -18.435 6.641 -1.946 1.00 0.00 H new ATOM 0 HD2 LYS B 33 -20.745 6.726 -2.265 1.00 0.00 H new ATOM 0 HD3 LYS B 33 -20.513 5.027 -2.630 1.00 0.00 H new ATOM 0 HE2 LYS B 33 -22.294 5.053 -1.024 1.00 0.00 H new ATOM 0 HE3 LYS B 33 -20.883 4.573 -0.100 1.00 0.00 H new ATOM 0 HZ1 LYS B 33 -22.357 6.462 0.802 1.00 0.00 H new ATOM 0 HZ2 LYS B 33 -20.674 6.678 0.847 1.00 0.00 H new ATOM 0 HZ3 LYS B 33 -21.595 7.440 -0.358 1.00 0.00 H new ATOM 2026 N GLU B 34 -17.442 2.888 1.022 1.00 0.00 N ATOM 2027 CA GLU B 34 -17.739 2.544 2.448 1.00 0.00 C ATOM 2028 C GLU B 34 -16.445 2.538 3.255 1.00 0.00 C ATOM 2029 O GLU B 34 -16.435 2.823 4.436 1.00 0.00 O ATOM 2030 CB GLU B 34 -18.400 1.169 2.546 1.00 0.00 C ATOM 2031 CG GLU B 34 -19.786 1.217 1.898 1.00 0.00 C ATOM 2032 CD GLU B 34 -20.413 -0.179 1.927 1.00 0.00 C ATOM 2033 OE1 GLU B 34 -20.362 -0.808 2.971 1.00 0.00 O ATOM 2034 OE2 GLU B 34 -20.933 -0.595 0.905 1.00 0.00 O ATOM 0 H GLU B 34 -17.407 2.099 0.377 1.00 0.00 H new ATOM 0 HA GLU B 34 -18.423 3.293 2.848 1.00 0.00 H new ATOM 0 HB2 GLU B 34 -17.781 0.421 2.050 1.00 0.00 H new ATOM 0 HB3 GLU B 34 -18.486 0.870 3.591 1.00 0.00 H new ATOM 0 HG2 GLU B 34 -20.423 1.924 2.429 1.00 0.00 H new ATOM 0 HG3 GLU B 34 -19.706 1.570 0.870 1.00 0.00 H new ATOM 2041 N LEU B 35 -15.357 2.203 2.633 1.00 0.00 N ATOM 2042 CA LEU B 35 -14.066 2.164 3.364 1.00 0.00 C ATOM 2043 C LEU B 35 -13.592 3.594 3.677 1.00 0.00 C ATOM 2044 O LEU B 35 -12.981 3.834 4.699 1.00 0.00 O ATOM 2045 CB LEU B 35 -13.037 1.424 2.497 1.00 0.00 C ATOM 2046 CG LEU B 35 -11.668 1.358 3.203 1.00 0.00 C ATOM 2047 CD1 LEU B 35 -11.698 0.315 4.324 1.00 0.00 C ATOM 2048 CD2 LEU B 35 -10.594 0.961 2.190 1.00 0.00 C ATOM 0 H LEU B 35 -15.304 1.953 1.645 1.00 0.00 H new ATOM 0 HA LEU B 35 -14.186 1.638 4.311 1.00 0.00 H new ATOM 0 HB2 LEU B 35 -13.391 0.415 2.287 1.00 0.00 H new ATOM 0 HB3 LEU B 35 -12.932 1.931 1.538 1.00 0.00 H new ATOM 0 HG LEU B 35 -11.444 2.337 3.627 1.00 0.00 H new ATOM 0 HD11 LEU B 35 -10.725 0.279 4.814 1.00 0.00 H new ATOM 0 HD12 LEU B 35 -12.461 0.586 5.053 1.00 0.00 H new ATOM 0 HD13 LEU B 35 -11.929 -0.664 3.904 1.00 0.00 H new ATOM 0 HD21 LEU B 35 -9.625 0.914 2.687 1.00 0.00 H new ATOM 0 HD22 LEU B 35 -10.834 -0.015 1.769 1.00 0.00 H new ATOM 0 HD23 LEU B 35 -10.556 1.701 1.391 1.00 0.00 H new ATOM 2060 N ILE B 36 -13.858 4.545 2.819 1.00 0.00 N ATOM 2061 CA ILE B 36 -13.401 5.944 3.105 1.00 0.00 C ATOM 2062 C ILE B 36 -14.349 6.596 4.112 1.00 0.00 C ATOM 2063 O ILE B 36 -13.946 7.399 4.931 1.00 0.00 O ATOM 2064 CB ILE B 36 -13.379 6.784 1.822 1.00 0.00 C ATOM 2065 CG1 ILE B 36 -14.760 6.735 1.151 1.00 0.00 C ATOM 2066 CG2 ILE B 36 -12.307 6.241 0.871 1.00 0.00 C ATOM 2067 CD1 ILE B 36 -14.675 7.241 -0.293 1.00 0.00 C ATOM 0 H ILE B 36 -14.365 4.420 1.943 1.00 0.00 H new ATOM 0 HA ILE B 36 -12.392 5.899 3.514 1.00 0.00 H new ATOM 0 HB ILE B 36 -13.142 7.819 2.067 1.00 0.00 H new ATOM 0 HG12 ILE B 36 -15.140 5.713 1.163 1.00 0.00 H new ATOM 0 HG13 ILE B 36 -15.466 7.344 1.715 1.00 0.00 H new ATOM 0 HG21 ILE B 36 -12.292 6.839 -0.040 1.00 0.00 H new ATOM 0 HG22 ILE B 36 -11.332 6.293 1.355 1.00 0.00 H new ATOM 0 HG23 ILE B 36 -12.533 5.204 0.621 1.00 0.00 H new ATOM 0 HD11 ILE B 36 -15.663 7.199 -0.752 1.00 0.00 H new ATOM 0 HD12 ILE B 36 -14.316 8.270 -0.297 1.00 0.00 H new ATOM 0 HD13 ILE B 36 -13.985 6.614 -0.858 1.00 0.00 H new ATOM 2079 N ASN B 37 -15.605 6.256 4.058 1.00 0.00 N ATOM 2080 CA ASN B 37 -16.586 6.852 5.009 1.00 0.00 C ATOM 2081 C ASN B 37 -16.480 6.155 6.371 1.00 0.00 C ATOM 2082 O ASN B 37 -16.900 6.679 7.384 1.00 0.00 O ATOM 2083 CB ASN B 37 -17.999 6.671 4.451 1.00 0.00 C ATOM 2084 CG ASN B 37 -19.022 7.203 5.456 1.00 0.00 C ATOM 2085 OD1 ASN B 37 -18.862 8.281 5.994 1.00 0.00 O ATOM 2086 ND2 ASN B 37 -20.078 6.486 5.733 1.00 0.00 N ATOM 0 H ASN B 37 -15.997 5.588 3.394 1.00 0.00 H new ATOM 0 HA ASN B 37 -16.372 7.913 5.134 1.00 0.00 H new ATOM 0 HB2 ASN B 37 -18.097 7.200 3.503 1.00 0.00 H new ATOM 0 HB3 ASN B 37 -18.188 5.617 4.248 1.00 0.00 H new ATOM 0 HD21 ASN B 37 -20.768 6.831 6.401 1.00 0.00 H new ATOM 0 HD22 ASN B 37 -20.213 5.581 5.282 1.00 0.00 H new ATOM 2093 N ASN B 38 -15.965 4.953 6.394 1.00 0.00 N ATOM 2094 CA ASN B 38 -15.873 4.195 7.683 1.00 0.00 C ATOM 2095 C ASN B 38 -14.478 4.304 8.310 1.00 0.00 C ATOM 2096 O ASN B 38 -14.354 4.474 9.507 1.00 0.00 O ATOM 2097 CB ASN B 38 -16.184 2.724 7.410 1.00 0.00 C ATOM 2098 CG ASN B 38 -17.655 2.579 7.016 1.00 0.00 C ATOM 2099 OD1 ASN B 38 -18.439 3.487 7.206 1.00 0.00 O ATOM 2100 ND2 ASN B 38 -18.065 1.466 6.471 1.00 0.00 N ATOM 0 H ASN B 38 -15.603 4.461 5.577 1.00 0.00 H new ATOM 0 HA ASN B 38 -16.590 4.624 8.383 1.00 0.00 H new ATOM 0 HB2 ASN B 38 -15.544 2.348 6.612 1.00 0.00 H new ATOM 0 HB3 ASN B 38 -15.973 2.126 8.297 1.00 0.00 H new ATOM 0 HD21 ASN B 38 -19.044 1.359 6.205 1.00 0.00 H new ATOM 0 HD22 ASN B 38 -17.407 0.703 6.311 1.00 0.00 H new ATOM 2107 N GLU B 39 -13.429 4.192 7.534 1.00 0.00 N ATOM 2108 CA GLU B 39 -12.046 4.270 8.115 1.00 0.00 C ATOM 2109 C GLU B 39 -11.396 5.611 7.773 1.00 0.00 C ATOM 2110 O GLU B 39 -11.154 6.430 8.638 1.00 0.00 O ATOM 2111 CB GLU B 39 -11.200 3.133 7.541 1.00 0.00 C ATOM 2112 CG GLU B 39 -11.804 1.793 7.963 1.00 0.00 C ATOM 2113 CD GLU B 39 -11.531 1.559 9.450 1.00 0.00 C ATOM 2114 OE1 GLU B 39 -12.315 2.032 10.257 1.00 0.00 O ATOM 2115 OE2 GLU B 39 -10.543 0.913 9.757 1.00 0.00 O ATOM 0 H GLU B 39 -13.466 4.050 6.525 1.00 0.00 H new ATOM 0 HA GLU B 39 -12.109 4.180 9.199 1.00 0.00 H new ATOM 0 HB2 GLU B 39 -11.165 3.203 6.454 1.00 0.00 H new ATOM 0 HB3 GLU B 39 -10.173 3.211 7.899 1.00 0.00 H new ATOM 0 HG2 GLU B 39 -12.877 1.790 7.774 1.00 0.00 H new ATOM 0 HG3 GLU B 39 -11.374 0.985 7.371 1.00 0.00 H new ATOM 2122 N LEU B 40 -11.096 5.842 6.526 1.00 0.00 N ATOM 2123 CA LEU B 40 -10.447 7.127 6.149 1.00 0.00 C ATOM 2124 C LEU B 40 -11.478 8.261 6.215 1.00 0.00 C ATOM 2125 O LEU B 40 -11.445 9.183 5.426 1.00 0.00 O ATOM 2126 CB LEU B 40 -9.864 7.018 4.727 1.00 0.00 C ATOM 2127 CG LEU B 40 -9.436 5.570 4.429 1.00 0.00 C ATOM 2128 CD1 LEU B 40 -8.665 5.545 3.103 1.00 0.00 C ATOM 2129 CD2 LEU B 40 -8.542 5.015 5.562 1.00 0.00 C ATOM 0 H LEU B 40 -11.272 5.199 5.754 1.00 0.00 H new ATOM 0 HA LEU B 40 -9.636 7.344 6.845 1.00 0.00 H new ATOM 0 HB2 LEU B 40 -10.607 7.341 3.997 1.00 0.00 H new ATOM 0 HB3 LEU B 40 -9.007 7.685 4.627 1.00 0.00 H new ATOM 0 HG LEU B 40 -10.325 4.943 4.360 1.00 0.00 H new ATOM 0 HD11 LEU B 40 -8.356 4.524 2.881 1.00 0.00 H new ATOM 0 HD12 LEU B 40 -9.307 5.912 2.302 1.00 0.00 H new ATOM 0 HD13 LEU B 40 -7.784 6.181 3.183 1.00 0.00 H new ATOM 0 HD21 LEU B 40 -8.253 3.990 5.328 1.00 0.00 H new ATOM 0 HD22 LEU B 40 -7.648 5.632 5.656 1.00 0.00 H new ATOM 0 HD23 LEU B 40 -9.094 5.031 6.502 1.00 0.00 H new ATOM 2141 N SER B 41 -12.393 8.206 7.153 1.00 0.00 N ATOM 2142 CA SER B 41 -13.416 9.288 7.264 1.00 0.00 C ATOM 2143 C SER B 41 -12.875 10.427 8.132 1.00 0.00 C ATOM 2144 O SER B 41 -13.349 11.545 8.066 1.00 0.00 O ATOM 2145 CB SER B 41 -14.678 8.717 7.917 1.00 0.00 C ATOM 2146 OG SER B 41 -15.316 9.728 8.686 1.00 0.00 O ATOM 0 H SER B 41 -12.474 7.460 7.844 1.00 0.00 H new ATOM 0 HA SER B 41 -13.648 9.670 6.270 1.00 0.00 H new ATOM 0 HB2 SER B 41 -15.359 8.344 7.152 1.00 0.00 H new ATOM 0 HB3 SER B 41 -14.419 7.871 8.553 1.00 0.00 H new ATOM 0 HG SER B 41 -15.885 10.273 8.103 1.00 0.00 H new ATOM 2152 N HIS B 42 -11.893 10.159 8.949 1.00 0.00 N ATOM 2153 CA HIS B 42 -11.334 11.231 9.821 1.00 0.00 C ATOM 2154 C HIS B 42 -10.326 12.056 9.022 1.00 0.00 C ATOM 2155 O HIS B 42 -10.049 13.196 9.343 1.00 0.00 O ATOM 2156 CB HIS B 42 -10.645 10.596 11.031 1.00 0.00 C ATOM 2157 CG HIS B 42 -11.672 9.893 11.874 1.00 0.00 C ATOM 2158 ND1 HIS B 42 -12.622 10.585 12.615 1.00 0.00 N ATOM 2159 CD2 HIS B 42 -11.918 8.560 12.100 1.00 0.00 C ATOM 2160 CE1 HIS B 42 -13.388 9.674 13.245 1.00 0.00 C ATOM 2161 NE2 HIS B 42 -13.001 8.428 12.964 1.00 0.00 N ATOM 0 H HIS B 42 -11.454 9.244 9.050 1.00 0.00 H new ATOM 0 HA HIS B 42 -12.138 11.881 10.168 1.00 0.00 H new ATOM 0 HB2 HIS B 42 -9.883 9.890 10.701 1.00 0.00 H new ATOM 0 HB3 HIS B 42 -10.137 11.361 11.618 1.00 0.00 H new ATOM 0 HD2 HIS B 42 -11.358 7.741 11.673 1.00 0.00 H new ATOM 0 HE1 HIS B 42 -14.213 9.921 13.897 1.00 0.00 H new ATOM 0 HE2 HIS B 42 -13.413 7.561 13.310 1.00 0.00 H new ATOM 2170 N PHE B 43 -9.787 11.488 7.972 1.00 0.00 N ATOM 2171 CA PHE B 43 -8.800 12.223 7.119 1.00 0.00 C ATOM 2172 C PHE B 43 -9.412 12.441 5.737 1.00 0.00 C ATOM 2173 O PHE B 43 -9.335 13.514 5.174 1.00 0.00 O ATOM 2174 CB PHE B 43 -7.524 11.392 6.970 1.00 0.00 C ATOM 2175 CG PHE B 43 -6.956 11.077 8.331 1.00 0.00 C ATOM 2176 CD1 PHE B 43 -6.037 11.951 8.925 1.00 0.00 C ATOM 2177 CD2 PHE B 43 -7.341 9.908 8.998 1.00 0.00 C ATOM 2178 CE1 PHE B 43 -5.505 11.657 10.186 1.00 0.00 C ATOM 2179 CE2 PHE B 43 -6.810 9.614 10.260 1.00 0.00 C ATOM 2180 CZ PHE B 43 -5.892 10.488 10.854 1.00 0.00 C ATOM 0 H PHE B 43 -9.990 10.537 7.666 1.00 0.00 H new ATOM 0 HA PHE B 43 -8.558 13.179 7.583 1.00 0.00 H new ATOM 0 HB2 PHE B 43 -7.742 10.468 6.434 1.00 0.00 H new ATOM 0 HB3 PHE B 43 -6.790 11.939 6.378 1.00 0.00 H new ATOM 0 HD1 PHE B 43 -5.739 12.852 8.410 1.00 0.00 H new ATOM 0 HD2 PHE B 43 -8.048 9.233 8.539 1.00 0.00 H new ATOM 0 HE1 PHE B 43 -4.796 12.331 10.644 1.00 0.00 H new ATOM 0 HE2 PHE B 43 -7.109 8.713 10.775 1.00 0.00 H new ATOM 0 HZ PHE B 43 -5.482 10.261 11.827 1.00 0.00 H new ATOM 2190 N LEU B 44 -10.020 11.423 5.182 1.00 0.00 N ATOM 2191 CA LEU B 44 -10.636 11.563 3.830 1.00 0.00 C ATOM 2192 C LEU B 44 -12.097 12.012 3.985 1.00 0.00 C ATOM 2193 O LEU B 44 -12.830 11.499 4.806 1.00 0.00 O ATOM 2194 CB LEU B 44 -10.561 10.201 3.096 1.00 0.00 C ATOM 2195 CG LEU B 44 -10.128 10.399 1.627 1.00 0.00 C ATOM 2196 CD1 LEU B 44 -8.606 10.561 1.544 1.00 0.00 C ATOM 2197 CD2 LEU B 44 -10.544 9.181 0.796 1.00 0.00 C ATOM 0 H LEU B 44 -10.116 10.501 5.608 1.00 0.00 H new ATOM 0 HA LEU B 44 -10.099 12.310 3.245 1.00 0.00 H new ATOM 0 HB2 LEU B 44 -9.853 9.546 3.604 1.00 0.00 H new ATOM 0 HB3 LEU B 44 -11.533 9.709 3.131 1.00 0.00 H new ATOM 0 HG LEU B 44 -10.611 11.295 1.238 1.00 0.00 H new ATOM 0 HD11 LEU B 44 -8.311 10.700 0.504 1.00 0.00 H new ATOM 0 HD12 LEU B 44 -8.300 11.430 2.127 1.00 0.00 H new ATOM 0 HD13 LEU B 44 -8.123 9.669 1.942 1.00 0.00 H new ATOM 0 HD21 LEU B 44 -10.237 9.325 -0.240 1.00 0.00 H new ATOM 0 HD22 LEU B 44 -10.065 8.287 1.196 1.00 0.00 H new ATOM 0 HD23 LEU B 44 -11.627 9.063 0.840 1.00 0.00 H new ATOM 2209 N GLU B 45 -12.519 12.963 3.198 1.00 0.00 N ATOM 2210 CA GLU B 45 -13.927 13.443 3.296 1.00 0.00 C ATOM 2211 C GLU B 45 -14.873 12.350 2.799 1.00 0.00 C ATOM 2212 O GLU B 45 -14.582 11.646 1.853 1.00 0.00 O ATOM 2213 CB GLU B 45 -14.103 14.696 2.432 1.00 0.00 C ATOM 2214 CG GLU B 45 -13.435 15.894 3.112 1.00 0.00 C ATOM 2215 CD GLU B 45 -13.805 17.179 2.366 1.00 0.00 C ATOM 2216 OE1 GLU B 45 -14.802 17.168 1.663 1.00 0.00 O ATOM 2217 OE2 GLU B 45 -13.084 18.152 2.513 1.00 0.00 O ATOM 0 H GLU B 45 -11.950 13.429 2.491 1.00 0.00 H new ATOM 0 HA GLU B 45 -14.156 13.681 4.335 1.00 0.00 H new ATOM 0 HB2 GLU B 45 -13.664 14.534 1.447 1.00 0.00 H new ATOM 0 HB3 GLU B 45 -15.163 14.898 2.280 1.00 0.00 H new ATOM 0 HG2 GLU B 45 -13.755 15.960 4.152 1.00 0.00 H new ATOM 0 HG3 GLU B 45 -12.353 15.764 3.119 1.00 0.00 H new ATOM 2224 N GLU B 46 -16.006 12.202 3.428 1.00 0.00 N ATOM 2225 CA GLU B 46 -16.972 11.153 2.987 1.00 0.00 C ATOM 2226 C GLU B 46 -17.595 11.593 1.651 1.00 0.00 C ATOM 2227 O GLU B 46 -18.349 12.544 1.592 1.00 0.00 O ATOM 2228 CB GLU B 46 -18.077 10.942 4.064 1.00 0.00 C ATOM 2229 CG GLU B 46 -17.832 11.844 5.282 1.00 0.00 C ATOM 2230 CD GLU B 46 -16.499 11.478 5.937 1.00 0.00 C ATOM 2231 OE1 GLU B 46 -16.339 10.327 6.307 1.00 0.00 O ATOM 2232 OE2 GLU B 46 -15.659 12.355 6.059 1.00 0.00 O ATOM 0 H GLU B 46 -16.306 12.760 4.227 1.00 0.00 H new ATOM 0 HA GLU B 46 -16.452 10.204 2.855 1.00 0.00 H new ATOM 0 HB2 GLU B 46 -19.055 11.160 3.635 1.00 0.00 H new ATOM 0 HB3 GLU B 46 -18.092 9.898 4.376 1.00 0.00 H new ATOM 0 HG2 GLU B 46 -17.822 12.890 4.975 1.00 0.00 H new ATOM 0 HG3 GLU B 46 -18.644 11.730 6.000 1.00 0.00 H new ATOM 2239 N ILE B 47 -17.275 10.916 0.579 1.00 0.00 N ATOM 2240 CA ILE B 47 -17.840 11.308 -0.746 1.00 0.00 C ATOM 2241 C ILE B 47 -19.305 10.864 -0.854 1.00 0.00 C ATOM 2242 O ILE B 47 -19.629 9.711 -0.648 1.00 0.00 O ATOM 2243 CB ILE B 47 -17.001 10.674 -1.888 1.00 0.00 C ATOM 2244 CG1 ILE B 47 -17.483 9.233 -2.198 1.00 0.00 C ATOM 2245 CG2 ILE B 47 -15.530 10.650 -1.465 1.00 0.00 C ATOM 2246 CD1 ILE B 47 -16.521 8.528 -3.173 1.00 0.00 C ATOM 0 H ILE B 47 -16.649 10.111 0.564 1.00 0.00 H new ATOM 0 HA ILE B 47 -17.800 12.393 -0.838 1.00 0.00 H new ATOM 0 HB ILE B 47 -17.123 11.271 -2.792 1.00 0.00 H new ATOM 0 HG12 ILE B 47 -17.552 8.662 -1.272 1.00 0.00 H new ATOM 0 HG13 ILE B 47 -18.484 9.265 -2.628 1.00 0.00 H new ATOM 0 HG21 ILE B 47 -14.930 10.206 -2.260 1.00 0.00 H new ATOM 0 HG22 ILE B 47 -15.189 11.668 -1.278 1.00 0.00 H new ATOM 0 HG23 ILE B 47 -15.422 10.058 -0.556 1.00 0.00 H new ATOM 0 HD11 ILE B 47 -16.882 7.519 -3.374 1.00 0.00 H new ATOM 0 HD12 ILE B 47 -16.473 9.089 -4.106 1.00 0.00 H new ATOM 0 HD13 ILE B 47 -15.527 8.476 -2.729 1.00 0.00 H new ATOM 2258 N LYS B 48 -20.183 11.759 -1.220 1.00 0.00 N ATOM 2259 CA LYS B 48 -21.614 11.376 -1.394 1.00 0.00 C ATOM 2260 C LYS B 48 -21.799 11.004 -2.864 1.00 0.00 C ATOM 2261 O LYS B 48 -22.829 10.509 -3.278 1.00 0.00 O ATOM 2262 CB LYS B 48 -22.523 12.561 -1.045 1.00 0.00 C ATOM 2263 CG LYS B 48 -22.379 12.898 0.441 1.00 0.00 C ATOM 2264 CD LYS B 48 -22.970 14.287 0.713 1.00 0.00 C ATOM 2265 CE LYS B 48 -24.452 14.310 0.327 1.00 0.00 C ATOM 2266 NZ LYS B 48 -25.113 13.053 0.784 1.00 0.00 N ATOM 0 H LYS B 48 -19.971 12.739 -1.406 1.00 0.00 H new ATOM 0 HA LYS B 48 -21.874 10.544 -0.740 1.00 0.00 H new ATOM 0 HB2 LYS B 48 -22.258 13.427 -1.652 1.00 0.00 H new ATOM 0 HB3 LYS B 48 -23.560 12.317 -1.274 1.00 0.00 H new ATOM 0 HG2 LYS B 48 -22.891 12.149 1.045 1.00 0.00 H new ATOM 0 HG3 LYS B 48 -21.328 12.876 0.729 1.00 0.00 H new ATOM 0 HD2 LYS B 48 -22.856 14.540 1.767 1.00 0.00 H new ATOM 0 HD3 LYS B 48 -22.426 15.041 0.144 1.00 0.00 H new ATOM 0 HE2 LYS B 48 -24.941 15.174 0.778 1.00 0.00 H new ATOM 0 HE3 LYS B 48 -24.554 14.413 -0.753 1.00 0.00 H new ATOM 0 HZ1 LYS B 48 -26.133 13.220 0.900 1.00 0.00 H new ATOM 0 HZ2 LYS B 48 -24.962 12.305 0.077 1.00 0.00 H new ATOM 0 HZ3 LYS B 48 -24.705 12.757 1.694 1.00 0.00 H new ATOM 2280 N GLU B 49 -20.780 11.250 -3.649 1.00 0.00 N ATOM 2281 CA GLU B 49 -20.822 10.934 -5.110 1.00 0.00 C ATOM 2282 C GLU B 49 -19.655 10.010 -5.448 1.00 0.00 C ATOM 2283 O GLU B 49 -18.530 10.249 -5.059 1.00 0.00 O ATOM 2284 CB GLU B 49 -20.680 12.225 -5.924 1.00 0.00 C ATOM 2285 CG GLU B 49 -21.651 13.284 -5.396 1.00 0.00 C ATOM 2286 CD GLU B 49 -21.437 14.596 -6.155 1.00 0.00 C ATOM 2287 OE1 GLU B 49 -20.416 15.226 -5.933 1.00 0.00 O ATOM 2288 OE2 GLU B 49 -22.298 14.949 -6.944 1.00 0.00 O ATOM 0 H GLU B 49 -19.904 11.665 -3.332 1.00 0.00 H new ATOM 0 HA GLU B 49 -21.770 10.454 -5.351 1.00 0.00 H new ATOM 0 HB2 GLU B 49 -19.656 12.594 -5.861 1.00 0.00 H new ATOM 0 HB3 GLU B 49 -20.883 12.026 -6.976 1.00 0.00 H new ATOM 0 HG2 GLU B 49 -22.679 12.944 -5.519 1.00 0.00 H new ATOM 0 HG3 GLU B 49 -21.492 13.439 -4.329 1.00 0.00 H new ATOM 2295 N GLN B 50 -19.908 8.962 -6.172 1.00 0.00 N ATOM 2296 CA GLN B 50 -18.806 8.032 -6.536 1.00 0.00 C ATOM 2297 C GLN B 50 -17.932 8.692 -7.614 1.00 0.00 C ATOM 2298 O GLN B 50 -16.852 8.230 -7.921 1.00 0.00 O ATOM 2299 CB GLN B 50 -19.402 6.713 -7.071 1.00 0.00 C ATOM 2300 CG GLN B 50 -20.784 6.968 -7.691 1.00 0.00 C ATOM 2301 CD GLN B 50 -20.721 8.168 -8.643 1.00 0.00 C ATOM 2302 OE1 GLN B 50 -21.200 9.238 -8.323 1.00 0.00 O ATOM 2303 NE2 GLN B 50 -20.147 8.032 -9.807 1.00 0.00 N ATOM 0 H GLN B 50 -20.829 8.707 -6.528 1.00 0.00 H new ATOM 0 HA GLN B 50 -18.196 7.814 -5.659 1.00 0.00 H new ATOM 0 HB2 GLN B 50 -18.735 6.280 -7.817 1.00 0.00 H new ATOM 0 HB3 GLN B 50 -19.487 5.989 -6.261 1.00 0.00 H new ATOM 0 HG2 GLN B 50 -21.118 6.082 -8.232 1.00 0.00 H new ATOM 0 HG3 GLN B 50 -21.515 7.156 -6.905 1.00 0.00 H new ATOM 0 HE21 GLN B 50 -19.745 7.134 -10.076 1.00 0.00 H new ATOM 0 HE22 GLN B 50 -20.100 8.824 -10.448 1.00 0.00 H new ATOM 2312 N GLU B 51 -18.415 9.751 -8.205 1.00 0.00 N ATOM 2313 CA GLU B 51 -17.663 10.447 -9.288 1.00 0.00 C ATOM 2314 C GLU B 51 -16.170 10.503 -9.003 1.00 0.00 C ATOM 2315 O GLU B 51 -15.366 10.171 -9.853 1.00 0.00 O ATOM 2316 CB GLU B 51 -18.204 11.868 -9.451 1.00 0.00 C ATOM 2317 CG GLU B 51 -17.545 12.531 -10.661 1.00 0.00 C ATOM 2318 CD GLU B 51 -18.233 13.867 -10.946 1.00 0.00 C ATOM 2319 OE1 GLU B 51 -18.190 14.729 -10.084 1.00 0.00 O ATOM 2320 OE2 GLU B 51 -18.792 14.004 -12.021 1.00 0.00 O ATOM 0 H GLU B 51 -19.316 10.171 -7.978 1.00 0.00 H new ATOM 0 HA GLU B 51 -17.804 9.878 -10.207 1.00 0.00 H new ATOM 0 HB2 GLU B 51 -19.286 11.844 -9.581 1.00 0.00 H new ATOM 0 HB3 GLU B 51 -18.004 12.450 -8.551 1.00 0.00 H new ATOM 0 HG2 GLU B 51 -16.484 12.690 -10.469 1.00 0.00 H new ATOM 0 HG3 GLU B 51 -17.618 11.879 -11.531 1.00 0.00 H new ATOM 2327 N VAL B 52 -15.767 10.907 -7.838 1.00 0.00 N ATOM 2328 CA VAL B 52 -14.307 10.950 -7.576 1.00 0.00 C ATOM 2329 C VAL B 52 -13.812 9.526 -7.454 1.00 0.00 C ATOM 2330 O VAL B 52 -12.721 9.192 -7.872 1.00 0.00 O ATOM 2331 CB VAL B 52 -14.011 11.726 -6.287 1.00 0.00 C ATOM 2332 CG1 VAL B 52 -14.578 13.142 -6.399 1.00 0.00 C ATOM 2333 CG2 VAL B 52 -14.660 11.020 -5.094 1.00 0.00 C ATOM 0 H VAL B 52 -16.369 11.204 -7.070 1.00 0.00 H new ATOM 0 HA VAL B 52 -13.798 11.460 -8.394 1.00 0.00 H new ATOM 0 HB VAL B 52 -12.932 11.771 -6.140 1.00 0.00 H new ATOM 0 HG11 VAL B 52 -14.367 13.692 -5.482 1.00 0.00 H new ATOM 0 HG12 VAL B 52 -14.116 13.653 -7.244 1.00 0.00 H new ATOM 0 HG13 VAL B 52 -15.656 13.091 -6.551 1.00 0.00 H new ATOM 0 HG21 VAL B 52 -14.446 11.576 -4.181 1.00 0.00 H new ATOM 0 HG22 VAL B 52 -15.738 10.970 -5.244 1.00 0.00 H new ATOM 0 HG23 VAL B 52 -14.258 10.011 -5.006 1.00 0.00 H new ATOM 2343 N VAL B 53 -14.615 8.676 -6.899 1.00 0.00 N ATOM 2344 CA VAL B 53 -14.209 7.263 -6.763 1.00 0.00 C ATOM 2345 C VAL B 53 -14.121 6.683 -8.173 1.00 0.00 C ATOM 2346 O VAL B 53 -13.411 5.733 -8.424 1.00 0.00 O ATOM 2347 CB VAL B 53 -15.236 6.519 -5.859 1.00 0.00 C ATOM 2348 CG1 VAL B 53 -15.957 5.393 -6.617 1.00 0.00 C ATOM 2349 CG2 VAL B 53 -14.527 5.919 -4.639 1.00 0.00 C ATOM 0 H VAL B 53 -15.540 8.901 -6.532 1.00 0.00 H new ATOM 0 HA VAL B 53 -13.238 7.153 -6.281 1.00 0.00 H new ATOM 0 HB VAL B 53 -15.977 7.253 -5.543 1.00 0.00 H new ATOM 0 HG11 VAL B 53 -16.664 4.900 -5.950 1.00 0.00 H new ATOM 0 HG12 VAL B 53 -16.493 5.813 -7.468 1.00 0.00 H new ATOM 0 HG13 VAL B 53 -15.226 4.667 -6.971 1.00 0.00 H new ATOM 0 HG21 VAL B 53 -15.254 5.401 -4.014 1.00 0.00 H new ATOM 0 HG22 VAL B 53 -13.766 5.213 -4.971 1.00 0.00 H new ATOM 0 HG23 VAL B 53 -14.056 6.716 -4.064 1.00 0.00 H new ATOM 2359 N ASP B 54 -14.828 7.270 -9.099 1.00 0.00 N ATOM 2360 CA ASP B 54 -14.766 6.772 -10.498 1.00 0.00 C ATOM 2361 C ASP B 54 -13.483 7.310 -11.118 1.00 0.00 C ATOM 2362 O ASP B 54 -12.820 6.649 -11.896 1.00 0.00 O ATOM 2363 CB ASP B 54 -15.976 7.276 -11.289 1.00 0.00 C ATOM 2364 CG ASP B 54 -17.242 6.580 -10.789 1.00 0.00 C ATOM 2365 OD1 ASP B 54 -17.113 5.575 -10.109 1.00 0.00 O ATOM 2366 OD2 ASP B 54 -18.320 7.063 -11.095 1.00 0.00 O ATOM 0 H ASP B 54 -15.443 8.069 -8.947 1.00 0.00 H new ATOM 0 HA ASP B 54 -14.777 5.682 -10.517 1.00 0.00 H new ATOM 0 HB2 ASP B 54 -16.073 8.356 -11.175 1.00 0.00 H new ATOM 0 HB3 ASP B 54 -15.836 7.079 -12.352 1.00 0.00 H new ATOM 2371 N LYS B 55 -13.119 8.511 -10.758 1.00 0.00 N ATOM 2372 CA LYS B 55 -11.868 9.104 -11.302 1.00 0.00 C ATOM 2373 C LYS B 55 -10.669 8.495 -10.573 1.00 0.00 C ATOM 2374 O LYS B 55 -9.714 8.069 -11.189 1.00 0.00 O ATOM 2375 CB LYS B 55 -11.886 10.627 -11.102 1.00 0.00 C ATOM 2376 CG LYS B 55 -10.548 11.258 -11.570 1.00 0.00 C ATOM 2377 CD LYS B 55 -9.611 11.506 -10.369 1.00 0.00 C ATOM 2378 CE LYS B 55 -9.938 12.853 -9.716 1.00 0.00 C ATOM 2379 NZ LYS B 55 -9.453 13.957 -10.589 1.00 0.00 N ATOM 0 H LYS B 55 -13.635 9.106 -10.110 1.00 0.00 H new ATOM 0 HA LYS B 55 -11.792 8.891 -12.368 1.00 0.00 H new ATOM 0 HB2 LYS B 55 -12.714 11.062 -11.661 1.00 0.00 H new ATOM 0 HB3 LYS B 55 -12.055 10.859 -10.050 1.00 0.00 H new ATOM 0 HG2 LYS B 55 -10.060 10.598 -12.287 1.00 0.00 H new ATOM 0 HG3 LYS B 55 -10.744 12.199 -12.085 1.00 0.00 H new ATOM 0 HD2 LYS B 55 -9.721 10.703 -9.640 1.00 0.00 H new ATOM 0 HD3 LYS B 55 -8.572 11.496 -10.700 1.00 0.00 H new ATOM 0 HE2 LYS B 55 -11.013 12.943 -9.561 1.00 0.00 H new ATOM 0 HE3 LYS B 55 -9.468 12.917 -8.735 1.00 0.00 H new ATOM 0 HZ1 LYS B 55 -9.310 14.814 -10.018 1.00 0.00 H new ATOM 0 HZ2 LYS B 55 -8.553 13.681 -11.030 1.00 0.00 H new ATOM 0 HZ3 LYS B 55 -10.157 14.149 -11.330 1.00 0.00 H new ATOM 2393 N VAL B 56 -10.709 8.436 -9.264 1.00 0.00 N ATOM 2394 CA VAL B 56 -9.565 7.836 -8.522 1.00 0.00 C ATOM 2395 C VAL B 56 -9.304 6.446 -9.108 1.00 0.00 C ATOM 2396 O VAL B 56 -8.178 6.064 -9.355 1.00 0.00 O ATOM 2397 CB VAL B 56 -9.893 7.767 -7.006 1.00 0.00 C ATOM 2398 CG1 VAL B 56 -10.601 6.454 -6.645 1.00 0.00 C ATOM 2399 CG2 VAL B 56 -8.600 7.871 -6.188 1.00 0.00 C ATOM 0 H VAL B 56 -11.478 8.775 -8.685 1.00 0.00 H new ATOM 0 HA VAL B 56 -8.668 8.446 -8.628 1.00 0.00 H new ATOM 0 HB VAL B 56 -10.557 8.599 -6.773 1.00 0.00 H new ATOM 0 HG11 VAL B 56 -10.816 6.438 -5.577 1.00 0.00 H new ATOM 0 HG12 VAL B 56 -11.534 6.378 -7.204 1.00 0.00 H new ATOM 0 HG13 VAL B 56 -9.957 5.612 -6.898 1.00 0.00 H new ATOM 0 HG21 VAL B 56 -8.837 7.822 -5.125 1.00 0.00 H new ATOM 0 HG22 VAL B 56 -7.936 7.047 -6.450 1.00 0.00 H new ATOM 0 HG23 VAL B 56 -8.106 8.818 -6.406 1.00 0.00 H new ATOM 2409 N MET B 57 -10.350 5.696 -9.357 1.00 0.00 N ATOM 2410 CA MET B 57 -10.169 4.343 -9.956 1.00 0.00 C ATOM 2411 C MET B 57 -9.270 4.491 -11.188 1.00 0.00 C ATOM 2412 O MET B 57 -8.421 3.667 -11.461 1.00 0.00 O ATOM 2413 CB MET B 57 -11.553 3.772 -10.365 1.00 0.00 C ATOM 2414 CG MET B 57 -11.788 2.392 -9.734 1.00 0.00 C ATOM 2415 SD MET B 57 -12.214 2.588 -7.989 1.00 0.00 S ATOM 2416 CE MET B 57 -13.122 1.033 -7.825 1.00 0.00 C ATOM 0 H MET B 57 -11.317 5.964 -9.171 1.00 0.00 H new ATOM 0 HA MET B 57 -9.711 3.660 -9.241 1.00 0.00 H new ATOM 0 HB2 MET B 57 -12.340 4.458 -10.052 1.00 0.00 H new ATOM 0 HB3 MET B 57 -11.612 3.694 -11.451 1.00 0.00 H new ATOM 0 HG2 MET B 57 -12.590 1.873 -10.259 1.00 0.00 H new ATOM 0 HG3 MET B 57 -10.893 1.778 -9.833 1.00 0.00 H new ATOM 0 HE1 MET B 57 -13.398 0.881 -6.782 1.00 0.00 H new ATOM 0 HE2 MET B 57 -14.023 1.072 -8.437 1.00 0.00 H new ATOM 0 HE3 MET B 57 -12.493 0.207 -8.158 1.00 0.00 H new ATOM 2426 N GLU B 58 -9.456 5.551 -11.924 1.00 0.00 N ATOM 2427 CA GLU B 58 -8.619 5.780 -13.132 1.00 0.00 C ATOM 2428 C GLU B 58 -7.166 5.943 -12.698 1.00 0.00 C ATOM 2429 O GLU B 58 -6.246 5.621 -13.424 1.00 0.00 O ATOM 2430 CB GLU B 58 -9.096 7.054 -13.843 1.00 0.00 C ATOM 2431 CG GLU B 58 -8.581 7.066 -15.284 1.00 0.00 C ATOM 2432 CD GLU B 58 -9.174 8.266 -16.025 1.00 0.00 C ATOM 2433 OE1 GLU B 58 -9.673 9.159 -15.361 1.00 0.00 O ATOM 2434 OE2 GLU B 58 -9.120 8.270 -17.244 1.00 0.00 O ATOM 0 H GLU B 58 -10.155 6.271 -11.739 1.00 0.00 H new ATOM 0 HA GLU B 58 -8.704 4.935 -13.816 1.00 0.00 H new ATOM 0 HB2 GLU B 58 -10.185 7.100 -13.836 1.00 0.00 H new ATOM 0 HB3 GLU B 58 -8.736 7.935 -13.311 1.00 0.00 H new ATOM 0 HG2 GLU B 58 -7.492 7.121 -15.292 1.00 0.00 H new ATOM 0 HG3 GLU B 58 -8.857 6.140 -15.788 1.00 0.00 H new ATOM 2441 N THR B 59 -6.954 6.440 -11.511 1.00 0.00 N ATOM 2442 CA THR B 59 -5.566 6.628 -11.012 1.00 0.00 C ATOM 2443 C THR B 59 -5.087 5.346 -10.334 1.00 0.00 C ATOM 2444 O THR B 59 -3.906 5.059 -10.301 1.00 0.00 O ATOM 2445 CB THR B 59 -5.538 7.776 -10.002 1.00 0.00 C ATOM 2446 OG1 THR B 59 -6.138 8.928 -10.580 1.00 0.00 O ATOM 2447 CG2 THR B 59 -4.090 8.085 -9.629 1.00 0.00 C ATOM 0 H THR B 59 -7.688 6.725 -10.863 1.00 0.00 H new ATOM 0 HA THR B 59 -4.910 6.863 -11.850 1.00 0.00 H new ATOM 0 HB THR B 59 -6.091 7.491 -9.107 1.00 0.00 H new ATOM 0 HG1 THR B 59 -6.122 9.664 -9.933 1.00 0.00 H new ATOM 0 HG21 THR B 59 -4.066 8.903 -8.909 1.00 0.00 H new ATOM 0 HG22 THR B 59 -3.631 7.200 -9.188 1.00 0.00 H new ATOM 0 HG23 THR B 59 -3.537 8.373 -10.523 1.00 0.00 H new ATOM 2455 N LEU B 60 -5.991 4.574 -9.779 1.00 0.00 N ATOM 2456 CA LEU B 60 -5.578 3.309 -9.085 1.00 0.00 C ATOM 2457 C LEU B 60 -5.789 2.101 -10.003 1.00 0.00 C ATOM 2458 O LEU B 60 -4.905 1.283 -10.159 1.00 0.00 O ATOM 2459 CB LEU B 60 -6.409 3.131 -7.801 1.00 0.00 C ATOM 2460 CG LEU B 60 -5.763 3.901 -6.637 1.00 0.00 C ATOM 2461 CD1 LEU B 60 -4.400 3.272 -6.255 1.00 0.00 C ATOM 2462 CD2 LEU B 60 -5.570 5.371 -7.039 1.00 0.00 C ATOM 0 H LEU B 60 -6.993 4.763 -9.776 1.00 0.00 H new ATOM 0 HA LEU B 60 -4.520 3.377 -8.832 1.00 0.00 H new ATOM 0 HB2 LEU B 60 -7.425 3.490 -7.964 1.00 0.00 H new ATOM 0 HB3 LEU B 60 -6.482 2.073 -7.550 1.00 0.00 H new ATOM 0 HG LEU B 60 -6.421 3.845 -5.770 1.00 0.00 H new ATOM 0 HD11 LEU B 60 -3.960 3.832 -5.430 1.00 0.00 H new ATOM 0 HD12 LEU B 60 -4.550 2.236 -5.952 1.00 0.00 H new ATOM 0 HD13 LEU B 60 -3.730 3.306 -7.114 1.00 0.00 H new ATOM 0 HD21 LEU B 60 -5.112 5.917 -6.214 1.00 0.00 H new ATOM 0 HD22 LEU B 60 -4.923 5.427 -7.914 1.00 0.00 H new ATOM 0 HD23 LEU B 60 -6.538 5.814 -7.274 1.00 0.00 H new ATOM 2474 N ASP B 61 -6.935 1.966 -10.611 1.00 0.00 N ATOM 2475 CA ASP B 61 -7.167 0.798 -11.508 1.00 0.00 C ATOM 2476 C ASP B 61 -6.093 0.751 -12.583 1.00 0.00 C ATOM 2477 O ASP B 61 -6.106 1.506 -13.535 1.00 0.00 O ATOM 2478 CB ASP B 61 -8.544 0.944 -12.148 1.00 0.00 C ATOM 2479 CG ASP B 61 -8.959 -0.379 -12.782 1.00 0.00 C ATOM 2480 OD1 ASP B 61 -8.205 -1.332 -12.673 1.00 0.00 O ATOM 2481 OD2 ASP B 61 -10.025 -0.415 -13.367 1.00 0.00 O ATOM 0 H ASP B 61 -7.720 2.612 -10.526 1.00 0.00 H new ATOM 0 HA ASP B 61 -7.123 -0.128 -10.935 1.00 0.00 H new ATOM 0 HB2 ASP B 61 -9.275 1.243 -11.397 1.00 0.00 H new ATOM 0 HB3 ASP B 61 -8.523 1.730 -12.903 1.00 0.00 H new ATOM 2486 N GLU B 62 -5.162 -0.144 -12.429 1.00 0.00 N ATOM 2487 CA GLU B 62 -4.065 -0.276 -13.429 1.00 0.00 C ATOM 2488 C GLU B 62 -4.488 -1.281 -14.485 1.00 0.00 C ATOM 2489 O GLU B 62 -4.262 -1.094 -15.664 1.00 0.00 O ATOM 2490 CB GLU B 62 -2.786 -0.759 -12.737 1.00 0.00 C ATOM 2491 CG GLU B 62 -1.592 -0.625 -13.690 1.00 0.00 C ATOM 2492 CD GLU B 62 -1.667 -1.714 -14.765 1.00 0.00 C ATOM 2493 OE1 GLU B 62 -1.913 -2.854 -14.408 1.00 0.00 O ATOM 2494 OE2 GLU B 62 -1.479 -1.387 -15.926 1.00 0.00 O ATOM 0 H GLU B 62 -5.112 -0.797 -11.647 1.00 0.00 H new ATOM 0 HA GLU B 62 -3.869 0.691 -13.893 1.00 0.00 H new ATOM 0 HB2 GLU B 62 -2.608 -0.175 -11.834 1.00 0.00 H new ATOM 0 HB3 GLU B 62 -2.900 -1.798 -12.428 1.00 0.00 H new ATOM 0 HG2 GLU B 62 -1.594 0.360 -14.156 1.00 0.00 H new ATOM 0 HG3 GLU B 62 -0.659 -0.712 -13.134 1.00 0.00 H new ATOM 2501 N ASP B 63 -5.115 -2.343 -14.073 1.00 0.00 N ATOM 2502 CA ASP B 63 -5.568 -3.354 -15.056 1.00 0.00 C ATOM 2503 C ASP B 63 -6.872 -2.863 -15.678 1.00 0.00 C ATOM 2504 O ASP B 63 -7.405 -3.473 -16.584 1.00 0.00 O ATOM 2505 CB ASP B 63 -5.802 -4.692 -14.347 1.00 0.00 C ATOM 2506 CG ASP B 63 -6.476 -4.446 -12.997 1.00 0.00 C ATOM 2507 OD1 ASP B 63 -7.182 -3.458 -12.881 1.00 0.00 O ATOM 2508 OD2 ASP B 63 -6.276 -5.250 -12.102 1.00 0.00 O ATOM 0 H ASP B 63 -5.332 -2.553 -13.099 1.00 0.00 H new ATOM 0 HA ASP B 63 -4.813 -3.495 -15.830 1.00 0.00 H new ATOM 0 HB2 ASP B 63 -6.426 -5.338 -14.964 1.00 0.00 H new ATOM 0 HB3 ASP B 63 -4.854 -5.209 -14.202 1.00 0.00 H new ATOM 2513 N GLY B 64 -7.394 -1.757 -15.205 1.00 0.00 N ATOM 2514 CA GLY B 64 -8.663 -1.247 -15.792 1.00 0.00 C ATOM 2515 C GLY B 64 -9.780 -2.237 -15.469 1.00 0.00 C ATOM 2516 O GLY B 64 -10.549 -2.619 -16.328 1.00 0.00 O ATOM 0 H GLY B 64 -7.000 -1.196 -14.450 1.00 0.00 H new ATOM 0 HA2 GLY B 64 -8.900 -0.264 -15.386 1.00 0.00 H new ATOM 0 HA3 GLY B 64 -8.561 -1.130 -16.871 1.00 0.00 H new ATOM 2520 N ASP B 65 -9.865 -2.676 -14.235 1.00 0.00 N ATOM 2521 CA ASP B 65 -10.923 -3.670 -13.860 1.00 0.00 C ATOM 2522 C ASP B 65 -12.085 -2.961 -13.169 1.00 0.00 C ATOM 2523 O ASP B 65 -13.091 -3.564 -12.852 1.00 0.00 O ATOM 2524 CB ASP B 65 -10.325 -4.704 -12.903 1.00 0.00 C ATOM 2525 CG ASP B 65 -9.585 -3.987 -11.773 1.00 0.00 C ATOM 2526 OD1 ASP B 65 -9.915 -2.844 -11.507 1.00 0.00 O ATOM 2527 OD2 ASP B 65 -8.700 -4.595 -11.193 1.00 0.00 O ATOM 0 H ASP B 65 -9.250 -2.390 -13.473 1.00 0.00 H new ATOM 0 HA ASP B 65 -11.288 -4.162 -14.762 1.00 0.00 H new ATOM 0 HB2 ASP B 65 -11.114 -5.334 -12.493 1.00 0.00 H new ATOM 0 HB3 ASP B 65 -9.641 -5.360 -13.441 1.00 0.00 H new ATOM 2532 N GLY B 66 -11.954 -1.691 -12.918 1.00 0.00 N ATOM 2533 CA GLY B 66 -13.054 -0.961 -12.230 1.00 0.00 C ATOM 2534 C GLY B 66 -13.075 -1.402 -10.773 1.00 0.00 C ATOM 2535 O GLY B 66 -13.841 -0.912 -9.967 1.00 0.00 O ATOM 0 H GLY B 66 -11.138 -1.128 -13.157 1.00 0.00 H new ATOM 0 HA2 GLY B 66 -12.898 0.116 -12.300 1.00 0.00 H new ATOM 0 HA3 GLY B 66 -14.010 -1.176 -12.707 1.00 0.00 H new ATOM 2539 N GLU B 67 -12.214 -2.328 -10.438 1.00 0.00 N ATOM 2540 CA GLU B 67 -12.125 -2.837 -9.040 1.00 0.00 C ATOM 2541 C GLU B 67 -10.732 -2.514 -8.510 1.00 0.00 C ATOM 2542 O GLU B 67 -9.865 -2.101 -9.256 1.00 0.00 O ATOM 2543 CB GLU B 67 -12.330 -4.354 -9.039 1.00 0.00 C ATOM 2544 CG GLU B 67 -13.676 -4.692 -9.684 1.00 0.00 C ATOM 2545 CD GLU B 67 -13.980 -6.177 -9.480 1.00 0.00 C ATOM 2546 OE1 GLU B 67 -13.512 -6.973 -10.279 1.00 0.00 O ATOM 2547 OE2 GLU B 67 -14.675 -6.495 -8.530 1.00 0.00 O ATOM 0 H GLU B 67 -11.557 -2.760 -11.088 1.00 0.00 H new ATOM 0 HA GLU B 67 -12.888 -2.373 -8.415 1.00 0.00 H new ATOM 0 HB2 GLU B 67 -11.522 -4.840 -9.585 1.00 0.00 H new ATOM 0 HB3 GLU B 67 -12.299 -4.734 -8.018 1.00 0.00 H new ATOM 0 HG2 GLU B 67 -14.466 -4.084 -9.243 1.00 0.00 H new ATOM 0 HG3 GLU B 67 -13.651 -4.458 -10.748 1.00 0.00 H new ATOM 2554 N CYS B 68 -10.505 -2.693 -7.236 1.00 0.00 N ATOM 2555 CA CYS B 68 -9.161 -2.390 -6.652 1.00 0.00 C ATOM 2556 C CYS B 68 -8.600 -3.641 -5.976 1.00 0.00 C ATOM 2557 O CYS B 68 -8.813 -3.869 -4.802 1.00 0.00 O ATOM 2558 CB CYS B 68 -9.299 -1.274 -5.614 1.00 0.00 C ATOM 2559 SG CYS B 68 -9.706 0.281 -6.448 1.00 0.00 S ATOM 0 H CYS B 68 -11.195 -3.038 -6.569 1.00 0.00 H new ATOM 0 HA CYS B 68 -8.485 -2.073 -7.446 1.00 0.00 H new ATOM 0 HB2 CYS B 68 -10.077 -1.527 -4.894 1.00 0.00 H new ATOM 0 HB3 CYS B 68 -8.370 -1.166 -5.055 1.00 0.00 H new ATOM 0 HG CYS B 68 -9.825 1.228 -5.566 1.00 0.00 H new ATOM 2565 N ASP B 69 -7.890 -4.459 -6.708 1.00 0.00 N ATOM 2566 CA ASP B 69 -7.318 -5.690 -6.095 1.00 0.00 C ATOM 2567 C ASP B 69 -6.536 -5.292 -4.840 1.00 0.00 C ATOM 2568 O ASP B 69 -6.528 -4.147 -4.456 1.00 0.00 O ATOM 2569 CB ASP B 69 -6.394 -6.379 -7.102 1.00 0.00 C ATOM 2570 CG ASP B 69 -7.024 -6.312 -8.495 1.00 0.00 C ATOM 2571 OD1 ASP B 69 -8.226 -6.112 -8.569 1.00 0.00 O ATOM 2572 OD2 ASP B 69 -6.296 -6.461 -9.462 1.00 0.00 O ATOM 0 H ASP B 69 -7.683 -4.328 -7.698 1.00 0.00 H new ATOM 0 HA ASP B 69 -8.114 -6.383 -5.823 1.00 0.00 H new ATOM 0 HB2 ASP B 69 -5.418 -5.894 -7.108 1.00 0.00 H new ATOM 0 HB3 ASP B 69 -6.232 -7.417 -6.813 1.00 0.00 H new ATOM 2577 N PHE B 70 -5.878 -6.217 -4.197 1.00 0.00 N ATOM 2578 CA PHE B 70 -5.111 -5.874 -2.962 1.00 0.00 C ATOM 2579 C PHE B 70 -3.833 -5.090 -3.303 1.00 0.00 C ATOM 2580 O PHE B 70 -3.318 -4.342 -2.495 1.00 0.00 O ATOM 2581 CB PHE B 70 -4.724 -7.174 -2.239 1.00 0.00 C ATOM 2582 CG PHE B 70 -4.413 -8.249 -3.259 1.00 0.00 C ATOM 2583 CD1 PHE B 70 -3.216 -8.208 -3.985 1.00 0.00 C ATOM 2584 CD2 PHE B 70 -5.330 -9.282 -3.487 1.00 0.00 C ATOM 2585 CE1 PHE B 70 -2.938 -9.196 -4.937 1.00 0.00 C ATOM 2586 CE2 PHE B 70 -5.053 -10.269 -4.442 1.00 0.00 C ATOM 2587 CZ PHE B 70 -3.857 -10.225 -5.167 1.00 0.00 C ATOM 0 H PHE B 70 -5.837 -7.198 -4.473 1.00 0.00 H new ATOM 0 HA PHE B 70 -5.739 -5.251 -2.325 1.00 0.00 H new ATOM 0 HB2 PHE B 70 -3.857 -7.003 -1.600 1.00 0.00 H new ATOM 0 HB3 PHE B 70 -5.538 -7.498 -1.591 1.00 0.00 H new ATOM 0 HD1 PHE B 70 -2.506 -7.413 -3.810 1.00 0.00 H new ATOM 0 HD2 PHE B 70 -6.252 -9.318 -2.926 1.00 0.00 H new ATOM 0 HE1 PHE B 70 -2.013 -9.164 -5.494 1.00 0.00 H new ATOM 0 HE2 PHE B 70 -5.763 -11.064 -4.619 1.00 0.00 H new ATOM 0 HZ PHE B 70 -3.644 -10.985 -5.904 1.00 0.00 H new ATOM 2597 N GLN B 71 -3.290 -5.307 -4.463 1.00 0.00 N ATOM 2598 CA GLN B 71 -2.015 -4.646 -4.840 1.00 0.00 C ATOM 2599 C GLN B 71 -2.198 -3.148 -5.068 1.00 0.00 C ATOM 2600 O GLN B 71 -1.445 -2.337 -4.554 1.00 0.00 O ATOM 2601 CB GLN B 71 -1.472 -5.301 -6.111 1.00 0.00 C ATOM 2602 CG GLN B 71 -0.115 -4.692 -6.447 1.00 0.00 C ATOM 2603 CD GLN B 71 0.542 -5.492 -7.570 1.00 0.00 C ATOM 2604 OE1 GLN B 71 1.725 -5.769 -7.523 1.00 0.00 O ATOM 2605 NE2 GLN B 71 -0.177 -5.873 -8.590 1.00 0.00 N ATOM 0 H GLN B 71 -3.681 -5.923 -5.176 1.00 0.00 H new ATOM 0 HA GLN B 71 -1.310 -4.768 -4.018 1.00 0.00 H new ATOM 0 HB2 GLN B 71 -1.376 -6.377 -5.967 1.00 0.00 H new ATOM 0 HB3 GLN B 71 -2.166 -5.150 -6.938 1.00 0.00 H new ATOM 0 HG2 GLN B 71 -0.237 -3.652 -6.751 1.00 0.00 H new ATOM 0 HG3 GLN B 71 0.524 -4.693 -5.564 1.00 0.00 H new ATOM 0 HE21 GLN B 71 -1.169 -5.641 -8.630 1.00 0.00 H new ATOM 0 HE22 GLN B 71 0.253 -6.403 -9.348 1.00 0.00 H new ATOM 2614 N GLU B 72 -3.195 -2.751 -5.805 1.00 0.00 N ATOM 2615 CA GLU B 72 -3.396 -1.295 -6.025 1.00 0.00 C ATOM 2616 C GLU B 72 -4.242 -0.744 -4.883 1.00 0.00 C ATOM 2617 O GLU B 72 -4.108 0.398 -4.494 1.00 0.00 O ATOM 2618 CB GLU B 72 -4.072 -1.072 -7.383 1.00 0.00 C ATOM 2619 CG GLU B 72 -5.554 -1.516 -7.342 1.00 0.00 C ATOM 2620 CD GLU B 72 -5.960 -2.117 -8.694 1.00 0.00 C ATOM 2621 OE1 GLU B 72 -5.645 -1.512 -9.706 1.00 0.00 O ATOM 2622 OE2 GLU B 72 -6.574 -3.170 -8.691 1.00 0.00 O ATOM 0 H GLU B 72 -3.872 -3.364 -6.260 1.00 0.00 H new ATOM 0 HA GLU B 72 -2.441 -0.770 -6.038 1.00 0.00 H new ATOM 0 HB2 GLU B 72 -4.011 -0.018 -7.655 1.00 0.00 H new ATOM 0 HB3 GLU B 72 -3.542 -1.631 -8.154 1.00 0.00 H new ATOM 0 HG2 GLU B 72 -5.700 -2.250 -6.550 1.00 0.00 H new ATOM 0 HG3 GLU B 72 -6.191 -0.663 -7.108 1.00 0.00 H new ATOM 2629 N PHE B 73 -5.106 -1.547 -4.322 1.00 0.00 N ATOM 2630 CA PHE B 73 -5.933 -1.049 -3.189 1.00 0.00 C ATOM 2631 C PHE B 73 -4.999 -0.455 -2.145 1.00 0.00 C ATOM 2632 O PHE B 73 -5.209 0.627 -1.658 1.00 0.00 O ATOM 2633 CB PHE B 73 -6.730 -2.205 -2.577 1.00 0.00 C ATOM 2634 CG PHE B 73 -7.262 -1.854 -1.196 1.00 0.00 C ATOM 2635 CD1 PHE B 73 -7.697 -0.554 -0.894 1.00 0.00 C ATOM 2636 CD2 PHE B 73 -7.332 -2.855 -0.217 1.00 0.00 C ATOM 2637 CE1 PHE B 73 -8.203 -0.265 0.377 1.00 0.00 C ATOM 2638 CE2 PHE B 73 -7.833 -2.560 1.054 1.00 0.00 C ATOM 2639 CZ PHE B 73 -8.270 -1.269 1.349 1.00 0.00 C ATOM 0 H PHE B 73 -5.273 -2.515 -4.596 1.00 0.00 H new ATOM 0 HA PHE B 73 -6.635 -0.293 -3.540 1.00 0.00 H new ATOM 0 HB2 PHE B 73 -7.562 -2.461 -3.233 1.00 0.00 H new ATOM 0 HB3 PHE B 73 -6.095 -3.088 -2.508 1.00 0.00 H new ATOM 0 HD1 PHE B 73 -7.641 0.222 -1.643 1.00 0.00 H new ATOM 0 HD2 PHE B 73 -6.998 -3.856 -0.445 1.00 0.00 H new ATOM 0 HE1 PHE B 73 -8.542 0.734 0.609 1.00 0.00 H new ATOM 0 HE2 PHE B 73 -7.882 -3.332 1.808 1.00 0.00 H new ATOM 0 HZ PHE B 73 -8.661 -1.044 2.330 1.00 0.00 H new ATOM 2649 N MET B 74 -3.947 -1.134 -1.806 1.00 0.00 N ATOM 2650 CA MET B 74 -3.023 -0.536 -0.818 1.00 0.00 C ATOM 2651 C MET B 74 -2.531 0.770 -1.429 1.00 0.00 C ATOM 2652 O MET B 74 -2.448 1.791 -0.775 1.00 0.00 O ATOM 2653 CB MET B 74 -1.843 -1.494 -0.542 1.00 0.00 C ATOM 2654 CG MET B 74 -1.442 -1.439 0.942 1.00 0.00 C ATOM 2655 SD MET B 74 0.303 -1.896 1.119 1.00 0.00 S ATOM 2656 CE MET B 74 0.185 -2.685 2.742 1.00 0.00 C ATOM 0 H MET B 74 -3.691 -2.055 -2.161 1.00 0.00 H new ATOM 0 HA MET B 74 -3.518 -0.357 0.136 1.00 0.00 H new ATOM 0 HB2 MET B 74 -2.123 -2.512 -0.812 1.00 0.00 H new ATOM 0 HB3 MET B 74 -0.992 -1.221 -1.165 1.00 0.00 H new ATOM 0 HG2 MET B 74 -1.607 -0.437 1.337 1.00 0.00 H new ATOM 0 HG3 MET B 74 -2.067 -2.117 1.523 1.00 0.00 H new ATOM 0 HE1 MET B 74 1.069 -3.299 2.913 1.00 0.00 H new ATOM 0 HE2 MET B 74 0.120 -1.919 3.515 1.00 0.00 H new ATOM 0 HE3 MET B 74 -0.705 -3.313 2.778 1.00 0.00 H new ATOM 2666 N ALA B 75 -2.205 0.733 -2.689 1.00 0.00 N ATOM 2667 CA ALA B 75 -1.714 1.981 -3.346 1.00 0.00 C ATOM 2668 C ALA B 75 -2.730 3.111 -3.114 1.00 0.00 C ATOM 2669 O ALA B 75 -2.406 4.276 -3.225 1.00 0.00 O ATOM 2670 CB ALA B 75 -1.509 1.745 -4.842 1.00 0.00 C ATOM 0 H ALA B 75 -2.255 -0.092 -3.287 1.00 0.00 H new ATOM 0 HA ALA B 75 -0.756 2.267 -2.912 1.00 0.00 H new ATOM 0 HB1 ALA B 75 -1.151 2.662 -5.309 1.00 0.00 H new ATOM 0 HB2 ALA B 75 -0.775 0.953 -4.988 1.00 0.00 H new ATOM 0 HB3 ALA B 75 -2.455 1.451 -5.297 1.00 0.00 H new ATOM 2676 N PHE B 76 -3.950 2.784 -2.777 1.00 0.00 N ATOM 2677 CA PHE B 76 -4.952 3.866 -2.521 1.00 0.00 C ATOM 2678 C PHE B 76 -4.604 4.522 -1.189 1.00 0.00 C ATOM 2679 O PHE B 76 -4.431 5.722 -1.101 1.00 0.00 O ATOM 2680 CB PHE B 76 -6.375 3.289 -2.474 1.00 0.00 C ATOM 2681 CG PHE B 76 -7.357 4.332 -1.980 1.00 0.00 C ATOM 2682 CD1 PHE B 76 -7.507 5.542 -2.669 1.00 0.00 C ATOM 2683 CD2 PHE B 76 -8.128 4.080 -0.834 1.00 0.00 C ATOM 2684 CE1 PHE B 76 -8.425 6.498 -2.211 1.00 0.00 C ATOM 2685 CE2 PHE B 76 -9.044 5.033 -0.381 1.00 0.00 C ATOM 2686 CZ PHE B 76 -9.193 6.242 -1.067 1.00 0.00 C ATOM 0 H PHE B 76 -4.295 1.830 -2.669 1.00 0.00 H new ATOM 0 HA PHE B 76 -4.921 4.600 -3.326 1.00 0.00 H new ATOM 0 HB2 PHE B 76 -6.668 2.947 -3.467 1.00 0.00 H new ATOM 0 HB3 PHE B 76 -6.399 2.419 -1.818 1.00 0.00 H new ATOM 0 HD1 PHE B 76 -6.917 5.739 -3.552 1.00 0.00 H new ATOM 0 HD2 PHE B 76 -8.013 3.148 -0.301 1.00 0.00 H new ATOM 0 HE1 PHE B 76 -8.540 7.432 -2.740 1.00 0.00 H new ATOM 0 HE2 PHE B 76 -9.637 4.835 0.500 1.00 0.00 H new ATOM 0 HZ PHE B 76 -9.900 6.979 -0.715 1.00 0.00 H new ATOM 2696 N VAL B 77 -4.480 3.741 -0.156 1.00 0.00 N ATOM 2697 CA VAL B 77 -4.120 4.312 1.170 1.00 0.00 C ATOM 2698 C VAL B 77 -2.781 5.045 1.041 1.00 0.00 C ATOM 2699 O VAL B 77 -2.532 6.036 1.699 1.00 0.00 O ATOM 2700 CB VAL B 77 -3.976 3.183 2.192 1.00 0.00 C ATOM 2701 CG1 VAL B 77 -3.820 3.783 3.586 1.00 0.00 C ATOM 2702 CG2 VAL B 77 -5.218 2.286 2.170 1.00 0.00 C ATOM 0 H VAL B 77 -4.612 2.730 -0.172 1.00 0.00 H new ATOM 0 HA VAL B 77 -4.898 5.001 1.499 1.00 0.00 H new ATOM 0 HB VAL B 77 -3.099 2.587 1.939 1.00 0.00 H new ATOM 0 HG11 VAL B 77 -3.717 2.982 4.318 1.00 0.00 H new ATOM 0 HG12 VAL B 77 -2.932 4.415 3.613 1.00 0.00 H new ATOM 0 HG13 VAL B 77 -4.699 4.382 3.825 1.00 0.00 H new ATOM 0 HG21 VAL B 77 -5.102 1.487 2.902 1.00 0.00 H new ATOM 0 HG22 VAL B 77 -6.099 2.879 2.416 1.00 0.00 H new ATOM 0 HG23 VAL B 77 -5.337 1.854 1.176 1.00 0.00 H new ATOM 2712 N SER B 78 -1.923 4.556 0.191 1.00 0.00 N ATOM 2713 CA SER B 78 -0.594 5.198 -0.010 1.00 0.00 C ATOM 2714 C SER B 78 -0.795 6.632 -0.473 1.00 0.00 C ATOM 2715 O SER B 78 -0.079 7.533 -0.083 1.00 0.00 O ATOM 2716 CB SER B 78 0.164 4.451 -1.101 1.00 0.00 C ATOM 2717 OG SER B 78 -0.316 4.883 -2.364 1.00 0.00 O ATOM 0 H SER B 78 -2.088 3.728 -0.381 1.00 0.00 H new ATOM 0 HA SER B 78 -0.037 5.175 0.926 1.00 0.00 H new ATOM 0 HB2 SER B 78 1.234 4.643 -1.017 1.00 0.00 H new ATOM 0 HB3 SER B 78 0.023 3.376 -0.991 1.00 0.00 H new ATOM 0 HG SER B 78 -1.293 4.806 -2.386 1.00 0.00 H new ATOM 2723 N MET B 79 -1.774 6.848 -1.301 1.00 0.00 N ATOM 2724 CA MET B 79 -2.039 8.220 -1.794 1.00 0.00 C ATOM 2725 C MET B 79 -2.628 9.037 -0.662 1.00 0.00 C ATOM 2726 O MET B 79 -2.459 10.239 -0.587 1.00 0.00 O ATOM 2727 CB MET B 79 -3.029 8.188 -2.961 1.00 0.00 C ATOM 2728 CG MET B 79 -3.047 9.557 -3.664 1.00 0.00 C ATOM 2729 SD MET B 79 -4.678 9.840 -4.395 1.00 0.00 S ATOM 2730 CE MET B 79 -4.463 8.751 -5.819 1.00 0.00 C ATOM 0 H MET B 79 -2.404 6.129 -1.658 1.00 0.00 H new ATOM 0 HA MET B 79 -1.106 8.664 -2.140 1.00 0.00 H new ATOM 0 HB2 MET B 79 -2.747 7.409 -3.669 1.00 0.00 H new ATOM 0 HB3 MET B 79 -4.027 7.942 -2.597 1.00 0.00 H new ATOM 0 HG2 MET B 79 -2.815 10.347 -2.950 1.00 0.00 H new ATOM 0 HG3 MET B 79 -2.280 9.591 -4.437 1.00 0.00 H new ATOM 0 HE1 MET B 79 -5.428 8.584 -6.298 1.00 0.00 H new ATOM 0 HE2 MET B 79 -3.780 9.214 -6.531 1.00 0.00 H new ATOM 0 HE3 MET B 79 -4.052 7.797 -5.489 1.00 0.00 H new ATOM 2740 N VAL B 80 -3.294 8.386 0.242 1.00 0.00 N ATOM 2741 CA VAL B 80 -3.866 9.106 1.392 1.00 0.00 C ATOM 2742 C VAL B 80 -2.732 9.304 2.361 1.00 0.00 C ATOM 2743 O VAL B 80 -2.589 10.339 2.981 1.00 0.00 O ATOM 2744 CB VAL B 80 -4.956 8.272 2.073 1.00 0.00 C ATOM 2745 CG1 VAL B 80 -5.614 9.099 3.178 1.00 0.00 C ATOM 2746 CG2 VAL B 80 -6.014 7.858 1.054 1.00 0.00 C ATOM 0 H VAL B 80 -3.465 7.381 0.229 1.00 0.00 H new ATOM 0 HA VAL B 80 -4.315 10.046 1.071 1.00 0.00 H new ATOM 0 HB VAL B 80 -4.503 7.378 2.501 1.00 0.00 H new ATOM 0 HG11 VAL B 80 -6.390 8.506 3.663 1.00 0.00 H new ATOM 0 HG12 VAL B 80 -4.863 9.386 3.914 1.00 0.00 H new ATOM 0 HG13 VAL B 80 -6.059 9.995 2.746 1.00 0.00 H new ATOM 0 HG21 VAL B 80 -6.784 7.266 1.549 1.00 0.00 H new ATOM 0 HG22 VAL B 80 -6.466 8.748 0.617 1.00 0.00 H new ATOM 0 HG23 VAL B 80 -5.549 7.264 0.267 1.00 0.00 H new ATOM 2756 N THR B 81 -1.908 8.304 2.491 1.00 0.00 N ATOM 2757 CA THR B 81 -0.767 8.418 3.416 1.00 0.00 C ATOM 2758 C THR B 81 0.190 9.467 2.877 1.00 0.00 C ATOM 2759 O THR B 81 0.809 10.193 3.629 1.00 0.00 O ATOM 2760 CB THR B 81 -0.049 7.067 3.514 1.00 0.00 C ATOM 2761 OG1 THR B 81 -0.974 6.071 3.926 1.00 0.00 O ATOM 2762 CG2 THR B 81 1.100 7.149 4.529 1.00 0.00 C ATOM 0 H THR B 81 -1.981 7.416 1.994 1.00 0.00 H new ATOM 0 HA THR B 81 -1.116 8.707 4.407 1.00 0.00 H new ATOM 0 HB THR B 81 0.360 6.810 2.537 1.00 0.00 H new ATOM 0 HG1 THR B 81 -1.535 5.811 3.166 1.00 0.00 H new ATOM 0 HG21 THR B 81 1.602 6.183 4.589 1.00 0.00 H new ATOM 0 HG22 THR B 81 1.813 7.909 4.211 1.00 0.00 H new ATOM 0 HG23 THR B 81 0.702 7.413 5.509 1.00 0.00 H new ATOM 2770 N THR B 82 0.351 9.545 1.580 1.00 0.00 N ATOM 2771 CA THR B 82 1.313 10.545 1.027 1.00 0.00 C ATOM 2772 C THR B 82 0.824 11.976 1.267 1.00 0.00 C ATOM 2773 O THR B 82 1.608 12.852 1.572 1.00 0.00 O ATOM 2774 CB THR B 82 1.483 10.303 -0.468 1.00 0.00 C ATOM 2775 OG1 THR B 82 0.207 10.229 -1.078 1.00 0.00 O ATOM 2776 CG2 THR B 82 2.250 8.988 -0.694 1.00 0.00 C ATOM 0 H THR B 82 -0.133 8.970 0.891 1.00 0.00 H new ATOM 0 HA THR B 82 2.269 10.426 1.537 1.00 0.00 H new ATOM 0 HB THR B 82 2.047 11.124 -0.911 1.00 0.00 H new ATOM 0 HG1 THR B 82 -0.486 10.410 -0.409 1.00 0.00 H new ATOM 0 HG21 THR B 82 2.371 8.816 -1.764 1.00 0.00 H new ATOM 0 HG22 THR B 82 3.231 9.054 -0.224 1.00 0.00 H new ATOM 0 HG23 THR B 82 1.692 8.161 -0.255 1.00 0.00 H new ATOM 2784 N ALA B 83 -0.450 12.239 1.140 1.00 0.00 N ATOM 2785 CA ALA B 83 -0.932 13.629 1.374 1.00 0.00 C ATOM 2786 C ALA B 83 -0.752 13.977 2.848 1.00 0.00 C ATOM 2787 O ALA B 83 -0.275 15.041 3.192 1.00 0.00 O ATOM 2788 CB ALA B 83 -2.412 13.729 1.000 1.00 0.00 C ATOM 0 H ALA B 83 -1.168 11.560 0.888 1.00 0.00 H new ATOM 0 HA ALA B 83 -0.360 14.324 0.760 1.00 0.00 H new ATOM 0 HB1 ALA B 83 -2.763 14.747 1.172 1.00 0.00 H new ATOM 0 HB2 ALA B 83 -2.539 13.474 -0.052 1.00 0.00 H new ATOM 0 HB3 ALA B 83 -2.990 13.038 1.613 1.00 0.00 H new ATOM 2794 N CYS B 84 -1.117 13.086 3.729 1.00 0.00 N ATOM 2795 CA CYS B 84 -0.949 13.377 5.180 1.00 0.00 C ATOM 2796 C CYS B 84 0.538 13.587 5.471 1.00 0.00 C ATOM 2797 O CYS B 84 0.919 14.030 6.536 1.00 0.00 O ATOM 2798 CB CYS B 84 -1.472 12.198 6.006 1.00 0.00 C ATOM 2799 SG CYS B 84 -1.032 12.435 7.746 1.00 0.00 S ATOM 0 H CYS B 84 -1.521 12.176 3.509 1.00 0.00 H new ATOM 0 HA CYS B 84 -1.510 14.273 5.445 1.00 0.00 H new ATOM 0 HB2 CYS B 84 -2.554 12.119 5.901 1.00 0.00 H new ATOM 0 HB3 CYS B 84 -1.047 11.265 5.637 1.00 0.00 H new ATOM 0 HG CYS B 84 -0.075 13.310 7.836 1.00 0.00 H new ATOM 2805 N HIS B 85 1.379 13.272 4.519 1.00 0.00 N ATOM 2806 CA HIS B 85 2.853 13.440 4.702 1.00 0.00 C ATOM 2807 C HIS B 85 3.325 14.654 3.888 1.00 0.00 C ATOM 2808 O HIS B 85 4.223 15.370 4.287 1.00 0.00 O ATOM 2809 CB HIS B 85 3.553 12.153 4.215 1.00 0.00 C ATOM 2810 CG HIS B 85 4.944 12.445 3.709 1.00 0.00 C ATOM 2811 ND1 HIS B 85 5.284 12.294 2.376 1.00 0.00 N ATOM 2812 CD2 HIS B 85 6.079 12.891 4.339 1.00 0.00 C ATOM 2813 CE1 HIS B 85 6.575 12.644 2.244 1.00 0.00 C ATOM 2814 NE2 HIS B 85 7.110 13.016 3.411 1.00 0.00 N ATOM 0 H HIS B 85 1.103 12.900 3.610 1.00 0.00 H new ATOM 0 HA HIS B 85 3.097 13.609 5.751 1.00 0.00 H new ATOM 0 HB2 HIS B 85 3.604 11.433 5.032 1.00 0.00 H new ATOM 0 HB3 HIS B 85 2.964 11.694 3.421 1.00 0.00 H new ATOM 0 HD2 HIS B 85 6.160 13.111 5.393 1.00 0.00 H new ATOM 0 HE1 HIS B 85 7.115 12.627 1.309 1.00 0.00 H new ATOM 0 HE2 HIS B 85 8.067 13.325 3.584 1.00 0.00 H new ATOM 2822 N GLU B 86 2.734 14.885 2.749 1.00 0.00 N ATOM 2823 CA GLU B 86 3.156 16.041 1.913 1.00 0.00 C ATOM 2824 C GLU B 86 2.616 17.330 2.528 1.00 0.00 C ATOM 2825 O GLU B 86 3.321 18.309 2.666 1.00 0.00 O ATOM 2826 CB GLU B 86 2.606 15.867 0.493 1.00 0.00 C ATOM 2827 CG GLU B 86 3.043 17.039 -0.396 1.00 0.00 C ATOM 2828 CD GLU B 86 4.571 17.104 -0.460 1.00 0.00 C ATOM 2829 OE1 GLU B 86 5.184 16.057 -0.581 1.00 0.00 O ATOM 2830 OE2 GLU B 86 5.101 18.201 -0.387 1.00 0.00 O ATOM 0 H GLU B 86 1.977 14.322 2.361 1.00 0.00 H new ATOM 0 HA GLU B 86 4.244 16.092 1.871 1.00 0.00 H new ATOM 0 HB2 GLU B 86 2.963 14.928 0.070 1.00 0.00 H new ATOM 0 HB3 GLU B 86 1.518 15.810 0.522 1.00 0.00 H new ATOM 0 HG2 GLU B 86 2.633 16.918 -1.399 1.00 0.00 H new ATOM 0 HG3 GLU B 86 2.647 17.974 -0.000 1.00 0.00 H new ATOM 2837 N PHE B 87 1.373 17.333 2.905 1.00 0.00 N ATOM 2838 CA PHE B 87 0.786 18.552 3.520 1.00 0.00 C ATOM 2839 C PHE B 87 1.448 18.796 4.878 1.00 0.00 C ATOM 2840 O PHE B 87 1.537 19.915 5.344 1.00 0.00 O ATOM 2841 CB PHE B 87 -0.721 18.351 3.711 1.00 0.00 C ATOM 2842 CG PHE B 87 -1.429 18.513 2.383 1.00 0.00 C ATOM 2843 CD1 PHE B 87 -1.258 17.552 1.378 1.00 0.00 C ATOM 2844 CD2 PHE B 87 -2.256 19.621 2.156 1.00 0.00 C ATOM 2845 CE1 PHE B 87 -1.913 17.700 0.150 1.00 0.00 C ATOM 2846 CE2 PHE B 87 -2.910 19.767 0.928 1.00 0.00 C ATOM 2847 CZ PHE B 87 -2.739 18.807 -0.075 1.00 0.00 C ATOM 0 H PHE B 87 0.735 16.542 2.814 1.00 0.00 H new ATOM 0 HA PHE B 87 0.955 19.411 2.871 1.00 0.00 H new ATOM 0 HB2 PHE B 87 -0.917 17.360 4.120 1.00 0.00 H new ATOM 0 HB3 PHE B 87 -1.106 19.074 4.430 1.00 0.00 H new ATOM 0 HD1 PHE B 87 -0.621 16.697 1.551 1.00 0.00 H new ATOM 0 HD2 PHE B 87 -2.389 20.363 2.930 1.00 0.00 H new ATOM 0 HE1 PHE B 87 -1.781 16.959 -0.625 1.00 0.00 H new ATOM 0 HE2 PHE B 87 -3.547 20.621 0.754 1.00 0.00 H new ATOM 0 HZ PHE B 87 -3.244 18.920 -1.023 1.00 0.00 H new ATOM 2857 N PHE B 88 1.911 17.756 5.518 1.00 0.00 N ATOM 2858 CA PHE B 88 2.564 17.931 6.847 1.00 0.00 C ATOM 2859 C PHE B 88 3.883 18.681 6.662 1.00 0.00 C ATOM 2860 O PHE B 88 4.187 19.606 7.389 1.00 0.00 O ATOM 2861 CB PHE B 88 2.825 16.549 7.483 1.00 0.00 C ATOM 2862 CG PHE B 88 1.618 16.098 8.287 1.00 0.00 C ATOM 2863 CD1 PHE B 88 0.322 16.325 7.804 1.00 0.00 C ATOM 2864 CD2 PHE B 88 1.802 15.452 9.517 1.00 0.00 C ATOM 2865 CE1 PHE B 88 -0.786 15.906 8.550 1.00 0.00 C ATOM 2866 CE2 PHE B 88 0.692 15.035 10.262 1.00 0.00 C ATOM 2867 CZ PHE B 88 -0.601 15.261 9.778 1.00 0.00 C ATOM 0 H PHE B 88 1.865 16.795 5.179 1.00 0.00 H new ATOM 0 HA PHE B 88 1.912 18.504 7.506 1.00 0.00 H new ATOM 0 HB2 PHE B 88 3.044 15.819 6.704 1.00 0.00 H new ATOM 0 HB3 PHE B 88 3.702 16.599 8.129 1.00 0.00 H new ATOM 0 HD1 PHE B 88 0.178 16.823 6.857 1.00 0.00 H new ATOM 0 HD2 PHE B 88 2.800 15.276 9.890 1.00 0.00 H new ATOM 0 HE1 PHE B 88 -1.785 16.081 8.177 1.00 0.00 H new ATOM 0 HE2 PHE B 88 0.834 14.539 11.211 1.00 0.00 H new ATOM 0 HZ PHE B 88 -1.457 14.938 10.352 1.00 0.00 H new