USER MOD reduce.3.24.130724 H: found=0, std=0, add=952, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 946 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 39 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 78 HIS : no HD1:sc= -0.0267 X(o=-0.027,f=0) USER MOD Set 2.1: A 9 GLN : amide:sc= -0.0141 K(o=1.2,f=0.28) USER MOD Set 2.2: A 11 HIS :FLIP no HD1:sc= -0.039 F(o=0.13,f=1.2) USER MOD Set 2.3: A 18 THR OG1 : rot -74:sc= 1.25 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 MET CE :methyl -159:sc= -0.24 (180deg=-0.587) USER MOD Single : A 6 SER OG : rot -170:sc= -0.0764 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 HIS : no HE2:sc= -3 K(o=-3,f=-8.3!) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 43 GLN : amide:sc= 0 X(o=0,f=-0.24) USER MOD Single : A 45 HIS :FLIP no HD1:sc= -0.0882 F(o=-0.67,f=-0.088) USER MOD Single : A 47 ASN : amide:sc= -0.126 X(o=-0.13,f=-0.13) USER MOD Single : A 51 GLN : amide:sc= -0.0708 K(o=-0.071,f=-0.84) USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ 178:sc= -0.0922 (180deg=-0.207) USER MOD Single : A 56 ASN : amide:sc= -0.709 K(o=-0.71,f=-2.5!) USER MOD Single : A 67 GLN : amide:sc= 0 K(o=0,f=-0.52) USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 LYS NZ :NH3+ -162:sc= 0.91 (180deg=0.701) USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 84 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 TYR OH : rot -151:sc= 1.05 USER MOD Single : A 89 TYR OH : rot -69:sc= 1.11 USER MOD Single : A 93 THR OG1 : rot 180:sc= 0 USER MOD Single : A 95 LYS NZ :NH3+ 163:sc=-0.000487 (180deg=-0.252) USER MOD Single : A 97 GLN : amide:sc= 0.303 X(o=0.3,f=0) USER MOD Single : A 102 TYR OH : rot -116:sc= 0.132 USER MOD Single : A 108 SER OG : rot 81:sc= 0.148 USER MOD Single : A 111 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 112 SER OG : rot -160:sc= 0 USER MOD Single : A 118 SER OG : rot 89:sc= 1.27 USER MOD Single : A 121 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 123 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 21.854 -0.665 11.419 1.00 11.24 N ATOM 2 CA GLY A 1 22.077 0.068 10.171 1.00 5.31 C ATOM 3 C GLY A 1 21.000 -0.188 9.120 1.00 64.51 C ATOM 4 O GLY A 1 21.363 -0.531 7.994 1.00 30.33 O ATOM 0 H1 GLY A 1 22.618 -0.449 12.090 1.00 11.24 H new ATOM 0 H2 GLY A 1 20.942 -0.381 11.830 1.00 11.24 H new ATOM 0 H3 GLY A 1 21.843 -1.687 11.224 1.00 11.24 H new ATOM 0 HA2 GLY A 1 22.118 1.136 10.387 1.00 5.31 H new ATOM 0 HA3 GLY A 1 23.048 -0.212 9.762 1.00 5.31 H new ATOM 8 N MET A 2 19.707 0.008 9.443 1.00 42.41 N ATOM 9 CA MET A 2 18.577 0.161 8.508 1.00 33.54 C ATOM 10 C MET A 2 18.211 -1.136 7.760 1.00 72.35 C ATOM 11 O MET A 2 19.072 -1.863 7.263 1.00 20.10 O ATOM 12 CB MET A 2 18.877 1.329 7.547 1.00 42.15 C ATOM 13 CG MET A 2 17.716 2.302 7.330 1.00 52.42 C ATOM 14 SD MET A 2 18.061 3.677 6.186 1.00 50.32 S ATOM 15 CE MET A 2 19.726 4.196 6.706 1.00 32.43 C ATOM 0 H MET A 2 19.407 0.067 10.416 1.00 42.41 H new ATOM 0 HA MET A 2 17.686 0.392 9.092 1.00 33.54 H new ATOM 0 HB2 MET A 2 19.731 1.886 7.932 1.00 42.15 H new ATOM 0 HB3 MET A 2 19.173 0.919 6.581 1.00 42.15 H new ATOM 0 HG2 MET A 2 16.860 1.743 6.953 1.00 52.42 H new ATOM 0 HG3 MET A 2 17.426 2.717 8.295 1.00 52.42 H new ATOM 0 HE1 MET A 2 19.908 5.218 6.375 1.00 32.43 H new ATOM 0 HE2 MET A 2 19.799 4.148 7.792 1.00 32.43 H new ATOM 0 HE3 MET A 2 20.469 3.533 6.262 1.00 32.43 H new ATOM 25 N ARG A 3 16.931 -1.503 7.702 1.00 40.13 N ATOM 26 CA ARG A 3 16.435 -2.610 6.887 1.00 2.04 C ATOM 27 C ARG A 3 16.230 -2.086 5.470 1.00 35.54 C ATOM 28 O ARG A 3 15.146 -1.607 5.176 1.00 74.52 O ATOM 29 CB ARG A 3 15.112 -3.140 7.494 1.00 21.20 C ATOM 30 CG ARG A 3 15.269 -4.249 8.542 1.00 71.32 C ATOM 31 CD ARG A 3 15.390 -5.653 7.919 1.00 3.32 C ATOM 32 NE ARG A 3 16.706 -5.916 7.296 1.00 75.51 N ATOM 33 CZ ARG A 3 17.885 -6.034 7.923 1.00 0.22 C ATOM 34 NH1 ARG A 3 17.972 -6.030 9.246 1.00 51.05 N ATOM 35 NH2 ARG A 3 18.999 -6.123 7.217 1.00 14.21 N ATOM 0 H ARG A 3 16.197 -1.030 8.230 1.00 40.13 H new ATOM 0 HA ARG A 3 17.143 -3.438 6.865 1.00 2.04 H new ATOM 0 HB2 ARG A 3 14.580 -2.305 7.950 1.00 21.20 H new ATOM 0 HB3 ARG A 3 14.484 -3.514 6.685 1.00 21.20 H new ATOM 0 HG2 ARG A 3 16.154 -4.048 9.146 1.00 71.32 H new ATOM 0 HG3 ARG A 3 14.412 -4.229 9.215 1.00 71.32 H new ATOM 0 HD2 ARG A 3 15.208 -6.400 8.691 1.00 3.32 H new ATOM 0 HD3 ARG A 3 14.611 -5.775 7.167 1.00 3.32 H new ATOM 0 HE ARG A 3 16.717 -6.018 6.281 1.00 75.51 H new ATOM 0 HH11 ARG A 3 17.129 -5.936 9.812 1.00 51.05 H new ATOM 0 HH12 ARG A 3 18.882 -6.121 9.698 1.00 51.05 H new ATOM 0 HH21 ARG A 3 18.960 -6.102 6.198 1.00 14.21 H new ATOM 0 HH22 ARG A 3 19.898 -6.213 7.691 1.00 14.21 H new ATOM 49 N ILE A 4 17.242 -2.144 4.605 1.00 13.42 N ATOM 50 CA ILE A 4 17.127 -1.705 3.208 1.00 52.03 C ATOM 51 C ILE A 4 17.078 -2.949 2.313 1.00 61.21 C ATOM 52 O ILE A 4 17.906 -3.847 2.485 1.00 41.13 O ATOM 53 CB ILE A 4 18.286 -0.766 2.806 1.00 45.34 C ATOM 54 CG1 ILE A 4 18.476 0.326 3.879 1.00 45.04 C ATOM 55 CG2 ILE A 4 18.042 -0.169 1.410 1.00 10.21 C ATOM 56 CD1 ILE A 4 19.395 1.481 3.483 1.00 54.44 C ATOM 0 H ILE A 4 18.167 -2.497 4.850 1.00 13.42 H new ATOM 0 HA ILE A 4 16.211 -1.127 3.085 1.00 52.03 H new ATOM 0 HB ILE A 4 19.211 -1.341 2.750 1.00 45.34 H new ATOM 0 HG12 ILE A 4 17.498 0.734 4.135 1.00 45.04 H new ATOM 0 HG13 ILE A 4 18.874 -0.140 4.781 1.00 45.04 H new ATOM 0 HG21 ILE A 4 18.870 0.489 1.146 1.00 10.21 H new ATOM 0 HG22 ILE A 4 17.970 -0.973 0.678 1.00 10.21 H new ATOM 0 HG23 ILE A 4 17.113 0.401 1.415 1.00 10.21 H new ATOM 0 HD11 ILE A 4 19.461 2.192 4.306 1.00 54.44 H new ATOM 0 HD12 ILE A 4 20.389 1.094 3.258 1.00 54.44 H new ATOM 0 HD13 ILE A 4 18.992 1.981 2.602 1.00 54.44 H new ATOM 68 N PRO A 5 16.141 -3.053 1.358 1.00 71.35 N ATOM 69 CA PRO A 5 16.070 -4.187 0.443 1.00 74.33 C ATOM 70 C PRO A 5 17.234 -4.195 -0.531 1.00 42.03 C ATOM 71 O PRO A 5 17.817 -3.155 -0.835 1.00 1.31 O ATOM 72 CB PRO A 5 14.736 -4.041 -0.292 1.00 35.43 C ATOM 73 CG PRO A 5 14.506 -2.538 -0.264 1.00 2.02 C ATOM 74 CD PRO A 5 15.067 -2.118 1.085 1.00 11.23 C ATOM 0 HA PRO A 5 16.131 -5.132 0.982 1.00 74.33 H new ATOM 0 HB2 PRO A 5 14.790 -4.424 -1.311 1.00 35.43 H new ATOM 0 HB3 PRO A 5 13.935 -4.583 0.210 1.00 35.43 H new ATOM 0 HG2 PRO A 5 15.019 -2.038 -1.085 1.00 2.02 H new ATOM 0 HG3 PRO A 5 13.448 -2.292 -0.353 1.00 2.02 H new ATOM 0 HD2 PRO A 5 15.435 -1.093 1.056 1.00 11.23 H new ATOM 0 HD3 PRO A 5 14.302 -2.160 1.860 1.00 11.23 H new ATOM 82 N SER A 6 17.537 -5.384 -1.048 1.00 14.22 N ATOM 83 CA SER A 6 18.404 -5.557 -2.203 1.00 55.12 C ATOM 84 C SER A 6 17.551 -5.911 -3.425 1.00 64.54 C ATOM 85 O SER A 6 17.819 -5.416 -4.521 1.00 11.30 O ATOM 86 CB SER A 6 19.454 -6.639 -1.921 1.00 44.24 C ATOM 87 OG SER A 6 19.953 -6.559 -0.597 1.00 3.14 O ATOM 0 H SER A 6 17.181 -6.262 -0.670 1.00 14.22 H new ATOM 0 HA SER A 6 18.936 -4.628 -2.408 1.00 55.12 H new ATOM 0 HB2 SER A 6 19.014 -7.623 -2.084 1.00 44.24 H new ATOM 0 HB3 SER A 6 20.279 -6.537 -2.627 1.00 44.24 H new ATOM 0 HG SER A 6 20.725 -7.155 -0.502 1.00 3.14 H new ATOM 93 N ALA A 7 16.506 -6.737 -3.256 1.00 42.21 N ATOM 94 CA ALA A 7 15.711 -7.228 -4.370 1.00 75.15 C ATOM 95 C ALA A 7 14.511 -6.311 -4.600 1.00 71.55 C ATOM 96 O ALA A 7 13.398 -6.672 -4.218 1.00 74.33 O ATOM 97 CB ALA A 7 15.285 -8.692 -4.136 1.00 15.11 C ATOM 0 H ALA A 7 16.198 -7.076 -2.345 1.00 42.21 H new ATOM 0 HA ALA A 7 16.318 -7.215 -5.275 1.00 75.15 H new ATOM 0 HB1 ALA A 7 14.691 -9.038 -4.982 1.00 15.11 H new ATOM 0 HB2 ALA A 7 16.172 -9.317 -4.035 1.00 15.11 H new ATOM 0 HB3 ALA A 7 14.690 -8.757 -3.225 1.00 15.11 H new ATOM 103 N ILE A 8 14.703 -5.160 -5.248 1.00 54.31 N ATOM 104 CA ILE A 8 13.571 -4.376 -5.727 1.00 54.11 C ATOM 105 C ILE A 8 13.040 -5.040 -7.000 1.00 54.25 C ATOM 106 O ILE A 8 13.684 -5.002 -8.051 1.00 22.14 O ATOM 107 CB ILE A 8 13.909 -2.885 -5.933 1.00 1.04 C ATOM 108 CG1 ILE A 8 14.479 -2.203 -4.677 1.00 3.01 C ATOM 109 CG2 ILE A 8 12.647 -2.140 -6.410 1.00 11.31 C ATOM 110 CD1 ILE A 8 13.518 -2.224 -3.490 1.00 34.52 C ATOM 0 H ILE A 8 15.618 -4.758 -5.449 1.00 54.31 H new ATOM 0 HA ILE A 8 12.793 -4.370 -4.964 1.00 54.11 H new ATOM 0 HB ILE A 8 14.695 -2.838 -6.687 1.00 1.04 H new ATOM 0 HG12 ILE A 8 15.408 -2.698 -4.393 1.00 3.01 H new ATOM 0 HG13 ILE A 8 14.729 -1.169 -4.915 1.00 3.01 H new ATOM 0 HG21 ILE A 8 12.881 -1.086 -6.557 1.00 11.31 H new ATOM 0 HG22 ILE A 8 12.304 -2.570 -7.351 1.00 11.31 H new ATOM 0 HG23 ILE A 8 11.862 -2.236 -5.660 1.00 11.31 H new ATOM 0 HD11 ILE A 8 13.982 -1.727 -2.638 1.00 34.52 H new ATOM 0 HD12 ILE A 8 12.598 -1.704 -3.757 1.00 34.52 H new ATOM 0 HD13 ILE A 8 13.287 -3.256 -3.227 1.00 34.52 H new ATOM 122 N GLN A 9 11.885 -5.692 -6.919 1.00 34.44 N ATOM 123 CA GLN A 9 11.065 -6.030 -8.079 1.00 2.21 C ATOM 124 C GLN A 9 9.680 -5.456 -7.828 1.00 20.33 C ATOM 125 O GLN A 9 9.192 -5.514 -6.697 1.00 42.21 O ATOM 126 CB GLN A 9 11.005 -7.550 -8.339 1.00 33.34 C ATOM 127 CG GLN A 9 11.962 -7.956 -9.462 1.00 32.10 C ATOM 128 CD GLN A 9 11.733 -9.390 -9.901 1.00 32.50 C ATOM 129 OE1 GLN A 9 10.953 -9.645 -10.809 1.00 71.21 O ATOM 130 NE2 GLN A 9 12.422 -10.340 -9.301 1.00 22.21 N ATOM 0 H GLN A 9 11.486 -6.005 -6.034 1.00 34.44 H new ATOM 0 HA GLN A 9 11.507 -5.602 -8.979 1.00 2.21 H new ATOM 0 HB2 GLN A 9 11.261 -8.088 -7.427 1.00 33.34 H new ATOM 0 HB3 GLN A 9 9.987 -7.837 -8.603 1.00 33.34 H new ATOM 0 HG2 GLN A 9 11.828 -7.289 -10.313 1.00 32.10 H new ATOM 0 HG3 GLN A 9 12.991 -7.839 -9.124 1.00 32.10 H new ATOM 0 HE21 GLN A 9 13.066 -10.104 -8.546 1.00 22.21 H new ATOM 0 HE22 GLN A 9 12.311 -11.311 -9.591 1.00 22.21 H new ATOM 139 N LEU A 10 9.055 -4.926 -8.883 1.00 32.21 N ATOM 140 CA LEU A 10 7.654 -4.529 -8.906 1.00 65.14 C ATOM 141 C LEU A 10 6.803 -5.455 -9.790 1.00 4.30 C ATOM 142 O LEU A 10 5.597 -5.230 -9.891 1.00 31.11 O ATOM 143 CB LEU A 10 7.550 -3.045 -9.314 1.00 12.12 C ATOM 144 CG LEU A 10 7.340 -2.745 -10.817 1.00 24.12 C ATOM 145 CD1 LEU A 10 7.088 -1.252 -11.044 1.00 54.44 C ATOM 146 CD2 LEU A 10 8.553 -3.176 -11.647 1.00 31.21 C ATOM 0 H LEU A 10 9.530 -4.758 -9.770 1.00 32.21 H new ATOM 0 HA LEU A 10 7.239 -4.635 -7.904 1.00 65.14 H new ATOM 0 HB2 LEU A 10 6.724 -2.598 -8.760 1.00 12.12 H new ATOM 0 HB3 LEU A 10 8.460 -2.540 -8.991 1.00 12.12 H new ATOM 0 HG LEU A 10 6.469 -3.316 -11.138 1.00 24.12 H new ATOM 0 HD11 LEU A 10 6.943 -1.065 -12.108 1.00 54.44 H new ATOM 0 HD12 LEU A 10 6.196 -0.946 -10.497 1.00 54.44 H new ATOM 0 HD13 LEU A 10 7.945 -0.680 -10.689 1.00 54.44 H new ATOM 0 HD21 LEU A 10 8.373 -2.951 -12.698 1.00 31.21 H new ATOM 0 HD22 LEU A 10 9.437 -2.636 -11.307 1.00 31.21 H new ATOM 0 HD23 LEU A 10 8.714 -4.247 -11.527 1.00 31.21 H new ATOM 158 N HIS A 11 7.415 -6.446 -10.455 1.00 12.33 N ATOM 159 CA HIS A 11 6.757 -7.435 -11.306 1.00 31.01 C ATOM 160 C HIS A 11 5.713 -6.795 -12.216 1.00 62.35 C ATOM 161 O HIS A 11 4.517 -7.024 -12.070 1.00 32.44 O ATOM 162 CB HIS A 11 6.179 -8.591 -10.483 1.00 4.40 C ATOM 163 CG HIS A 11 7.214 -9.556 -9.999 1.00 60.33 C ATOM 164 ND1 HIS A 11 7.814 -9.550 -8.774 1.00 2.52 N flip ATOM 165 CD2 HIS A 11 7.735 -10.601 -10.725 1.00 1.14 C flip ATOM 166 CE1 HIS A 11 8.708 -10.621 -8.741 1.00 61.31 C flip ATOM 167 NE2 HIS A 11 8.645 -11.203 -9.946 1.00 63.51 N flip ATOM 0 H HIS A 11 8.425 -6.581 -10.409 1.00 12.33 H new ATOM 0 HA HIS A 11 7.519 -7.861 -11.958 1.00 31.01 H new ATOM 0 HB2 HIS A 11 5.644 -8.184 -9.625 1.00 4.40 H new ATOM 0 HB3 HIS A 11 5.448 -9.128 -11.088 1.00 4.40 H new ATOM 0 HD2 HIS A 11 7.463 -10.883 -11.731 1.00 1.14 H new ATOM 0 HE1 HIS A 11 9.328 -10.921 -7.909 1.00 61.31 H new ATOM 0 HE2 HIS A 11 9.214 -11.999 -10.233 1.00 63.51 H new ATOM 175 N LYS A 12 6.138 -5.975 -13.175 1.00 21.00 N ATOM 176 CA LYS A 12 5.221 -5.216 -14.031 1.00 45.15 C ATOM 177 C LYS A 12 4.320 -6.088 -14.931 1.00 32.24 C ATOM 178 O LYS A 12 3.468 -5.547 -15.643 1.00 70.45 O ATOM 179 CB LYS A 12 6.047 -4.188 -14.818 1.00 21.12 C ATOM 180 CG LYS A 12 5.793 -2.738 -14.381 1.00 31.13 C ATOM 181 CD LYS A 12 4.675 -2.050 -15.180 1.00 12.33 C ATOM 182 CE LYS A 12 5.108 -0.623 -15.538 1.00 51.42 C ATOM 183 NZ LYS A 12 4.678 -0.229 -16.892 1.00 32.40 N ATOM 0 H LYS A 12 7.124 -5.816 -13.382 1.00 21.00 H new ATOM 0 HA LYS A 12 4.500 -4.702 -13.395 1.00 45.15 H new ATOM 0 HB2 LYS A 12 7.106 -4.416 -14.698 1.00 21.12 H new ATOM 0 HB3 LYS A 12 5.818 -4.285 -15.879 1.00 21.12 H new ATOM 0 HG2 LYS A 12 5.534 -2.725 -13.322 1.00 31.13 H new ATOM 0 HG3 LYS A 12 6.714 -2.166 -14.491 1.00 31.13 H new ATOM 0 HD2 LYS A 12 4.461 -2.615 -16.087 1.00 12.33 H new ATOM 0 HD3 LYS A 12 3.756 -2.027 -14.594 1.00 12.33 H new ATOM 0 HE2 LYS A 12 4.692 0.074 -14.810 1.00 51.42 H new ATOM 0 HE3 LYS A 12 6.193 -0.547 -15.468 1.00 51.42 H new ATOM 0 HZ1 LYS A 12 4.994 0.742 -17.088 1.00 32.40 H new ATOM 0 HZ2 LYS A 12 5.096 -0.876 -17.591 1.00 32.40 H new ATOM 0 HZ3 LYS A 12 3.641 -0.275 -16.954 1.00 32.40 H new ATOM 197 N ALA A 13 4.444 -7.419 -14.888 1.00 31.34 N ATOM 198 CA ALA A 13 3.378 -8.347 -15.245 1.00 75.15 C ATOM 199 C ALA A 13 2.192 -8.227 -14.264 1.00 23.34 C ATOM 200 O ALA A 13 1.223 -7.545 -14.600 1.00 13.12 O ATOM 201 CB ALA A 13 3.931 -9.771 -15.352 1.00 23.23 C ATOM 0 H ALA A 13 5.304 -7.884 -14.599 1.00 31.34 H new ATOM 0 HA ALA A 13 2.985 -8.086 -16.228 1.00 75.15 H new ATOM 0 HB1 ALA A 13 3.125 -10.455 -15.619 1.00 23.23 H new ATOM 0 HB2 ALA A 13 4.705 -9.804 -16.119 1.00 23.23 H new ATOM 0 HB3 ALA A 13 4.357 -10.069 -14.394 1.00 23.23 H new ATOM 207 N SER A 14 2.217 -8.862 -13.082 1.00 42.34 N ATOM 208 CA SER A 14 1.055 -8.925 -12.176 1.00 44.43 C ATOM 209 C SER A 14 0.967 -7.766 -11.165 1.00 71.41 C ATOM 210 O SER A 14 -0.003 -7.685 -10.409 1.00 75.21 O ATOM 211 CB SER A 14 1.043 -10.267 -11.435 1.00 43.45 C ATOM 212 OG SER A 14 -0.279 -10.751 -11.288 1.00 32.42 O ATOM 0 H SER A 14 3.041 -9.346 -12.726 1.00 42.34 H new ATOM 0 HA SER A 14 0.177 -8.827 -12.814 1.00 44.43 H new ATOM 0 HB2 SER A 14 1.642 -10.995 -11.982 1.00 43.45 H new ATOM 0 HB3 SER A 14 1.503 -10.149 -10.454 1.00 43.45 H new ATOM 0 HG SER A 14 -0.263 -11.609 -10.814 1.00 32.42 H new ATOM 218 N LYS A 15 1.934 -6.847 -11.179 1.00 61.22 N ATOM 219 CA LYS A 15 2.058 -5.682 -10.309 1.00 2.20 C ATOM 220 C LYS A 15 2.279 -6.117 -8.848 1.00 71.43 C ATOM 221 O LYS A 15 1.417 -5.929 -7.986 1.00 40.44 O ATOM 222 CB LYS A 15 0.887 -4.694 -10.512 1.00 63.41 C ATOM 223 CG LYS A 15 0.315 -4.546 -11.938 1.00 73.45 C ATOM 224 CD LYS A 15 -0.566 -3.298 -11.963 1.00 21.42 C ATOM 225 CE LYS A 15 -1.620 -3.217 -13.067 1.00 50.55 C ATOM 226 NZ LYS A 15 -1.066 -3.096 -14.433 1.00 23.41 N ATOM 0 H LYS A 15 2.704 -6.904 -11.846 1.00 61.22 H new ATOM 0 HA LYS A 15 2.948 -5.120 -10.590 1.00 2.20 H new ATOM 0 HB2 LYS A 15 0.073 -4.998 -9.854 1.00 63.41 H new ATOM 0 HB3 LYS A 15 1.216 -3.710 -10.178 1.00 63.41 H new ATOM 0 HG2 LYS A 15 1.122 -4.458 -12.666 1.00 73.45 H new ATOM 0 HG3 LYS A 15 -0.265 -5.428 -12.210 1.00 73.45 H new ATOM 0 HD2 LYS A 15 -1.075 -3.223 -11.002 1.00 21.42 H new ATOM 0 HD3 LYS A 15 0.083 -2.426 -12.049 1.00 21.42 H new ATOM 0 HE2 LYS A 15 -2.247 -4.107 -13.020 1.00 50.55 H new ATOM 0 HE3 LYS A 15 -2.267 -2.361 -12.873 1.00 50.55 H new ATOM 0 HZ1 LYS A 15 -1.845 -3.047 -15.120 1.00 23.41 H new ATOM 0 HZ2 LYS A 15 -0.491 -2.232 -14.499 1.00 23.41 H new ATOM 0 HZ3 LYS A 15 -0.472 -3.924 -14.641 1.00 23.41 H new ATOM 240 N THR A 16 3.456 -6.666 -8.544 1.00 13.14 N ATOM 241 CA THR A 16 3.752 -7.297 -7.258 1.00 52.32 C ATOM 242 C THR A 16 5.104 -6.787 -6.735 1.00 3.52 C ATOM 243 O THR A 16 6.130 -6.941 -7.394 1.00 51.51 O ATOM 244 CB THR A 16 3.702 -8.827 -7.444 1.00 62.32 C ATOM 245 OG1 THR A 16 2.521 -9.191 -8.143 1.00 4.23 O ATOM 246 CG2 THR A 16 3.751 -9.585 -6.121 1.00 71.22 C ATOM 0 H THR A 16 4.242 -6.685 -9.194 1.00 13.14 H new ATOM 0 HA THR A 16 3.012 -7.034 -6.502 1.00 52.32 H new ATOM 0 HB THR A 16 4.588 -9.103 -8.016 1.00 62.32 H new ATOM 0 HG1 THR A 16 2.496 -10.164 -8.259 1.00 4.23 H new ATOM 0 HG21 THR A 16 3.713 -10.657 -6.314 1.00 71.22 H new ATOM 0 HG22 THR A 16 4.676 -9.344 -5.597 1.00 71.22 H new ATOM 0 HG23 THR A 16 2.899 -9.297 -5.505 1.00 71.22 H new ATOM 254 N LEU A 17 5.103 -6.074 -5.607 1.00 72.15 N ATOM 255 CA LEU A 17 6.278 -5.539 -4.932 1.00 40.01 C ATOM 256 C LEU A 17 6.930 -6.636 -4.079 1.00 44.44 C ATOM 257 O LEU A 17 6.406 -7.007 -3.029 1.00 53.41 O ATOM 258 CB LEU A 17 5.855 -4.315 -4.102 1.00 72.41 C ATOM 259 CG LEU A 17 7.011 -3.631 -3.356 1.00 32.43 C ATOM 260 CD1 LEU A 17 8.053 -2.979 -4.263 1.00 42.42 C ATOM 261 CD2 LEU A 17 6.475 -2.510 -2.472 1.00 5.32 C ATOM 0 H LEU A 17 4.237 -5.845 -5.118 1.00 72.15 H new ATOM 0 HA LEU A 17 7.027 -5.213 -5.653 1.00 40.01 H new ATOM 0 HB2 LEU A 17 5.383 -3.588 -4.762 1.00 72.41 H new ATOM 0 HB3 LEU A 17 5.102 -4.624 -3.377 1.00 72.41 H new ATOM 0 HG LEU A 17 7.485 -4.436 -2.795 1.00 32.43 H new ATOM 0 HD11 LEU A 17 8.831 -2.521 -3.653 1.00 42.42 H new ATOM 0 HD12 LEU A 17 8.497 -3.736 -4.909 1.00 42.42 H new ATOM 0 HD13 LEU A 17 7.575 -2.214 -4.875 1.00 42.42 H new ATOM 0 HD21 LEU A 17 7.303 -2.032 -1.948 1.00 5.32 H new ATOM 0 HD22 LEU A 17 5.963 -1.773 -3.090 1.00 5.32 H new ATOM 0 HD23 LEU A 17 5.776 -2.923 -1.745 1.00 5.32 H new ATOM 273 N THR A 18 8.069 -7.157 -4.530 1.00 42.35 N ATOM 274 CA THR A 18 8.799 -8.239 -3.858 1.00 73.13 C ATOM 275 C THR A 18 9.662 -7.644 -2.753 1.00 52.22 C ATOM 276 O THR A 18 10.335 -6.648 -3.017 1.00 44.05 O ATOM 277 CB THR A 18 9.708 -8.937 -4.878 1.00 64.35 C ATOM 278 OG1 THR A 18 8.946 -9.351 -5.979 1.00 60.44 O ATOM 279 CG2 THR A 18 10.455 -10.144 -4.308 1.00 21.43 C ATOM 0 H THR A 18 8.521 -6.837 -5.386 1.00 42.35 H new ATOM 0 HA THR A 18 8.094 -8.955 -3.435 1.00 73.13 H new ATOM 0 HB THR A 18 10.461 -8.205 -5.171 1.00 64.35 H new ATOM 0 HG1 THR A 18 8.403 -10.127 -5.728 1.00 60.44 H new ATOM 0 HG21 THR A 18 11.078 -10.587 -5.085 1.00 21.43 H new ATOM 0 HG22 THR A 18 11.084 -9.824 -3.478 1.00 21.43 H new ATOM 0 HG23 THR A 18 9.736 -10.883 -3.954 1.00 21.43 H new ATOM 287 N LEU A 19 9.714 -8.223 -1.552 1.00 71.33 N ATOM 288 CA LEU A 19 10.578 -7.736 -0.484 1.00 74.14 C ATOM 289 C LEU A 19 11.158 -8.924 0.274 1.00 4.00 C ATOM 290 O LEU A 19 10.414 -9.714 0.842 1.00 15.20 O ATOM 291 CB LEU A 19 9.804 -6.776 0.437 1.00 21.23 C ATOM 292 CG LEU A 19 9.583 -5.361 -0.142 1.00 32.52 C ATOM 293 CD1 LEU A 19 8.888 -4.503 0.914 1.00 74.23 C ATOM 294 CD2 LEU A 19 10.868 -4.635 -0.597 1.00 75.52 C ATOM 0 H LEU A 19 9.159 -9.040 -1.296 1.00 71.33 H new ATOM 0 HA LEU A 19 11.407 -7.168 -0.905 1.00 74.14 H new ATOM 0 HB2 LEU A 19 8.833 -7.216 0.664 1.00 21.23 H new ATOM 0 HB3 LEU A 19 10.342 -6.687 1.381 1.00 21.23 H new ATOM 0 HG LEU A 19 8.978 -5.495 -1.039 1.00 32.52 H new ATOM 0 HD11 LEU A 19 8.725 -3.500 0.519 1.00 74.23 H new ATOM 0 HD12 LEU A 19 7.929 -4.951 1.173 1.00 74.23 H new ATOM 0 HD13 LEU A 19 9.513 -4.445 1.805 1.00 74.23 H new ATOM 0 HD21 LEU A 19 10.611 -3.651 -0.988 1.00 75.52 H new ATOM 0 HD22 LEU A 19 11.543 -4.523 0.252 1.00 75.52 H new ATOM 0 HD23 LEU A 19 11.359 -5.218 -1.376 1.00 75.52 H new ATOM 306 N ARG A 20 12.491 -9.050 0.292 1.00 12.01 N ATOM 307 CA ARG A 20 13.201 -10.123 0.993 1.00 43.23 C ATOM 308 C ARG A 20 13.466 -9.764 2.460 1.00 51.01 C ATOM 309 O ARG A 20 14.537 -9.229 2.764 1.00 51.22 O ATOM 310 CB ARG A 20 14.503 -10.401 0.228 1.00 14.12 C ATOM 311 CG ARG A 20 15.348 -11.525 0.853 1.00 53.45 C ATOM 312 CD ARG A 20 16.749 -11.542 0.233 1.00 11.11 C ATOM 313 NE ARG A 20 17.545 -10.360 0.600 1.00 34.41 N ATOM 314 CZ ARG A 20 18.861 -10.233 0.422 1.00 51.13 C ATOM 315 NH1 ARG A 20 19.594 -11.245 -0.030 1.00 51.34 N ATOM 316 NH2 ARG A 20 19.420 -9.063 0.693 1.00 62.11 N ATOM 0 H ARG A 20 13.114 -8.400 -0.187 1.00 12.01 H new ATOM 0 HA ARG A 20 12.587 -11.023 1.016 1.00 43.23 H new ATOM 0 HB2 ARG A 20 14.262 -10.667 -0.801 1.00 14.12 H new ATOM 0 HB3 ARG A 20 15.097 -9.488 0.191 1.00 14.12 H new ATOM 0 HG2 ARG A 20 15.421 -11.378 1.931 1.00 53.45 H new ATOM 0 HG3 ARG A 20 14.861 -12.487 0.695 1.00 53.45 H new ATOM 0 HD2 ARG A 20 17.273 -12.442 0.554 1.00 11.11 H new ATOM 0 HD3 ARG A 20 16.661 -11.594 -0.852 1.00 11.11 H new ATOM 0 HE ARG A 20 17.051 -9.575 1.024 1.00 34.41 H new ATOM 0 HH11 ARG A 20 19.152 -12.138 -0.247 1.00 51.34 H new ATOM 0 HH12 ARG A 20 20.599 -11.129 -0.160 1.00 51.34 H new ATOM 0 HH21 ARG A 20 18.846 -8.289 1.028 1.00 62.11 H new ATOM 0 HH22 ARG A 20 20.424 -8.936 0.567 1.00 62.11 H new ATOM 330 N TYR A 21 12.508 -9.909 3.369 1.00 55.25 N ATOM 331 CA TYR A 21 12.688 -9.673 4.796 1.00 33.20 C ATOM 332 C TYR A 21 13.682 -10.677 5.391 1.00 32.10 C ATOM 333 O TYR A 21 13.314 -11.712 5.943 1.00 32.30 O ATOM 334 CB TYR A 21 11.347 -9.684 5.547 1.00 75.51 C ATOM 335 CG TYR A 21 11.409 -9.026 6.916 1.00 22.34 C ATOM 336 CD1 TYR A 21 11.880 -9.725 8.047 1.00 75.53 C ATOM 337 CD2 TYR A 21 10.996 -7.691 7.061 1.00 33.44 C ATOM 338 CE1 TYR A 21 11.947 -9.091 9.300 1.00 35.41 C ATOM 339 CE2 TYR A 21 11.032 -7.056 8.309 1.00 24.53 C ATOM 340 CZ TYR A 21 11.522 -7.753 9.429 1.00 4.30 C ATOM 341 OH TYR A 21 11.613 -7.120 10.622 1.00 32.51 O ATOM 0 H TYR A 21 11.561 -10.201 3.127 1.00 55.25 H new ATOM 0 HA TYR A 21 13.109 -8.675 4.920 1.00 33.20 H new ATOM 0 HB2 TYR A 21 10.597 -9.174 4.942 1.00 75.51 H new ATOM 0 HB3 TYR A 21 11.014 -10.715 5.664 1.00 75.51 H new ATOM 0 HD1 TYR A 21 12.191 -10.755 7.950 1.00 75.53 H new ATOM 0 HD2 TYR A 21 10.645 -7.146 6.197 1.00 33.44 H new ATOM 0 HE1 TYR A 21 12.322 -9.626 10.160 1.00 35.41 H new ATOM 0 HE2 TYR A 21 10.686 -6.038 8.411 1.00 24.53 H new ATOM 0 HH TYR A 21 11.277 -6.204 10.533 1.00 32.51 H new ATOM 351 N GLY A 22 14.969 -10.341 5.341 1.00 14.40 N ATOM 352 CA GLY A 22 15.979 -11.022 6.126 1.00 24.20 C ATOM 353 C GLY A 22 16.457 -12.256 5.404 1.00 44.33 C ATOM 354 O GLY A 22 17.481 -12.210 4.720 1.00 43.42 O ATOM 0 H GLY A 22 15.334 -9.590 4.755 1.00 14.40 H new ATOM 0 HA2 GLY A 22 16.819 -10.352 6.311 1.00 24.20 H new ATOM 0 HA3 GLY A 22 15.570 -11.296 7.098 1.00 24.20 H new ATOM 358 N GLU A 23 15.707 -13.329 5.559 1.00 23.31 N ATOM 359 CA GLU A 23 15.910 -14.605 4.896 1.00 43.24 C ATOM 360 C GLU A 23 14.679 -15.038 4.108 1.00 34.23 C ATOM 361 O GLU A 23 14.755 -15.913 3.249 1.00 61.41 O ATOM 362 CB GLU A 23 16.383 -15.631 5.916 1.00 11.22 C ATOM 363 CG GLU A 23 15.272 -16.102 6.842 1.00 63.41 C ATOM 364 CD GLU A 23 15.273 -17.621 7.008 1.00 51.11 C ATOM 365 OE1 GLU A 23 16.032 -18.098 7.879 1.00 4.32 O ATOM 366 OE2 GLU A 23 14.527 -18.318 6.280 1.00 1.11 O ATOM 0 H GLU A 23 14.899 -13.336 6.181 1.00 23.31 H new ATOM 0 HA GLU A 23 16.694 -14.507 4.145 1.00 43.24 H new ATOM 0 HB2 GLU A 23 16.801 -16.491 5.392 1.00 11.22 H new ATOM 0 HB3 GLU A 23 17.187 -15.199 6.512 1.00 11.22 H new ATOM 0 HG2 GLU A 23 15.388 -15.630 7.818 1.00 63.41 H new ATOM 0 HG3 GLU A 23 14.309 -15.781 6.446 1.00 63.41 H new ATOM 373 N ASP A 24 13.538 -14.427 4.415 1.00 72.31 N ATOM 374 CA ASP A 24 12.261 -14.816 3.842 1.00 14.00 C ATOM 375 C ASP A 24 11.999 -13.928 2.636 1.00 21.41 C ATOM 376 O ASP A 24 12.550 -12.827 2.550 1.00 23.24 O ATOM 377 CB ASP A 24 11.142 -14.704 4.892 1.00 3.01 C ATOM 378 CG ASP A 24 11.118 -15.921 5.817 1.00 11.24 C ATOM 379 OD1 ASP A 24 11.088 -17.048 5.264 1.00 3.10 O ATOM 380 OD2 ASP A 24 11.141 -15.720 7.056 1.00 52.15 O ATOM 0 H ASP A 24 13.477 -13.647 5.070 1.00 72.31 H new ATOM 0 HA ASP A 24 12.284 -15.858 3.522 1.00 14.00 H new ATOM 0 HB2 ASP A 24 11.285 -13.799 5.483 1.00 3.01 H new ATOM 0 HB3 ASP A 24 10.179 -14.608 4.390 1.00 3.01 H new ATOM 385 N SER A 25 11.090 -14.328 1.750 1.00 4.20 N ATOM 386 CA SER A 25 10.736 -13.608 0.537 1.00 2.12 C ATOM 387 C SER A 25 9.215 -13.441 0.462 1.00 71.13 C ATOM 388 O SER A 25 8.483 -14.431 0.423 1.00 63.53 O ATOM 389 CB SER A 25 11.357 -14.303 -0.686 1.00 13.01 C ATOM 390 OG SER A 25 12.015 -15.538 -0.413 1.00 64.23 O ATOM 0 H SER A 25 10.563 -15.194 1.864 1.00 4.20 H new ATOM 0 HA SER A 25 11.151 -12.600 0.549 1.00 2.12 H new ATOM 0 HB2 SER A 25 10.571 -14.483 -1.420 1.00 13.01 H new ATOM 0 HB3 SER A 25 12.073 -13.622 -1.146 1.00 13.01 H new ATOM 0 HG SER A 25 12.376 -15.907 -1.246 1.00 64.23 H new ATOM 396 N TYR A 26 8.743 -12.192 0.543 1.00 62.34 N ATOM 397 CA TYR A 26 7.336 -11.797 0.523 1.00 24.31 C ATOM 398 C TYR A 26 7.038 -11.048 -0.784 1.00 31.13 C ATOM 399 O TYR A 26 7.941 -10.445 -1.368 1.00 44.21 O ATOM 400 CB TYR A 26 7.051 -10.926 1.764 1.00 14.32 C ATOM 401 CG TYR A 26 7.364 -11.534 3.132 1.00 31.14 C ATOM 402 CD1 TYR A 26 7.473 -12.924 3.337 1.00 73.12 C ATOM 403 CD2 TYR A 26 7.689 -10.680 4.200 1.00 72.53 C ATOM 404 CE1 TYR A 26 7.840 -13.445 4.591 1.00 74.41 C ATOM 405 CE2 TYR A 26 8.112 -11.188 5.439 1.00 40.32 C ATOM 406 CZ TYR A 26 8.156 -12.578 5.656 1.00 63.43 C ATOM 407 OH TYR A 26 8.569 -13.091 6.844 1.00 41.45 O ATOM 0 H TYR A 26 9.367 -11.390 0.629 1.00 62.34 H new ATOM 0 HA TYR A 26 6.684 -12.670 0.560 1.00 24.31 H new ATOM 0 HB2 TYR A 26 7.621 -10.002 1.666 1.00 14.32 H new ATOM 0 HB3 TYR A 26 5.996 -10.652 1.749 1.00 14.32 H new ATOM 0 HD1 TYR A 26 7.272 -13.600 2.519 1.00 73.12 H new ATOM 0 HD2 TYR A 26 7.612 -9.611 4.065 1.00 72.53 H new ATOM 0 HE1 TYR A 26 7.880 -14.514 4.738 1.00 74.41 H new ATOM 0 HE2 TYR A 26 8.404 -10.510 6.227 1.00 40.32 H new ATOM 0 HH TYR A 26 8.748 -12.360 7.472 1.00 41.45 H new ATOM 417 N ASP A 27 5.781 -11.056 -1.243 1.00 33.43 N ATOM 418 CA ASP A 27 5.403 -10.608 -2.591 1.00 31.21 C ATOM 419 C ASP A 27 4.029 -9.926 -2.552 1.00 53.22 C ATOM 420 O ASP A 27 2.961 -10.544 -2.625 1.00 24.10 O ATOM 421 CB ASP A 27 5.483 -11.776 -3.591 1.00 43.12 C ATOM 422 CG ASP A 27 6.767 -11.730 -4.429 1.00 42.15 C ATOM 423 OD1 ASP A 27 6.916 -10.795 -5.252 1.00 64.51 O ATOM 424 OD2 ASP A 27 7.632 -12.630 -4.321 1.00 20.30 O ATOM 0 H ASP A 27 4.989 -11.376 -0.685 1.00 33.43 H new ATOM 0 HA ASP A 27 6.112 -9.860 -2.945 1.00 31.21 H new ATOM 0 HB2 ASP A 27 5.438 -12.721 -3.049 1.00 43.12 H new ATOM 0 HB3 ASP A 27 4.617 -11.746 -4.253 1.00 43.12 H new ATOM 429 N LEU A 28 4.070 -8.613 -2.334 1.00 55.24 N ATOM 430 CA LEU A 28 2.940 -7.771 -1.961 1.00 4.02 C ATOM 431 C LEU A 28 2.229 -7.186 -3.197 1.00 1.24 C ATOM 432 O LEU A 28 2.893 -6.861 -4.176 1.00 62.33 O ATOM 433 CB LEU A 28 3.488 -6.671 -1.027 1.00 0.33 C ATOM 434 CG LEU A 28 4.130 -7.275 0.250 1.00 24.41 C ATOM 435 CD1 LEU A 28 5.642 -7.533 0.159 1.00 23.31 C ATOM 436 CD2 LEU A 28 3.827 -6.451 1.501 1.00 42.42 C ATOM 0 H LEU A 28 4.937 -8.083 -2.418 1.00 55.24 H new ATOM 0 HA LEU A 28 2.179 -8.357 -1.446 1.00 4.02 H new ATOM 0 HB2 LEU A 28 4.229 -6.075 -1.561 1.00 0.33 H new ATOM 0 HB3 LEU A 28 2.680 -5.996 -0.745 1.00 0.33 H new ATOM 0 HG LEU A 28 3.652 -8.251 0.332 1.00 24.41 H new ATOM 0 HD11 LEU A 28 5.996 -7.955 1.099 1.00 23.31 H new ATOM 0 HD12 LEU A 28 5.843 -8.233 -0.652 1.00 23.31 H new ATOM 0 HD13 LEU A 28 6.160 -6.594 -0.036 1.00 23.31 H new ATOM 0 HD21 LEU A 28 4.299 -6.916 2.366 1.00 42.42 H new ATOM 0 HD22 LEU A 28 4.217 -5.441 1.375 1.00 42.42 H new ATOM 0 HD23 LEU A 28 2.749 -6.407 1.656 1.00 42.42 H new ATOM 448 N PRO A 29 0.893 -7.007 -3.208 1.00 62.14 N ATOM 449 CA PRO A 29 0.185 -6.515 -4.386 1.00 21.24 C ATOM 450 C PRO A 29 0.314 -5.007 -4.539 1.00 75.13 C ATOM 451 O PRO A 29 0.454 -4.260 -3.568 1.00 22.02 O ATOM 452 CB PRO A 29 -1.288 -6.820 -4.140 1.00 40.33 C ATOM 453 CG PRO A 29 -1.405 -6.770 -2.631 1.00 35.14 C ATOM 454 CD PRO A 29 -0.061 -7.329 -2.166 1.00 0.21 C ATOM 0 HA PRO A 29 0.594 -6.983 -5.281 1.00 21.24 H new ATOM 0 HB2 PRO A 29 -1.936 -6.086 -4.619 1.00 40.33 H new ATOM 0 HB3 PRO A 29 -1.568 -7.797 -4.533 1.00 40.33 H new ATOM 0 HG2 PRO A 29 -1.566 -5.754 -2.272 1.00 35.14 H new ATOM 0 HG3 PRO A 29 -2.239 -7.371 -2.270 1.00 35.14 H new ATOM 0 HD2 PRO A 29 0.237 -6.887 -1.215 1.00 0.21 H new ATOM 0 HD3 PRO A 29 -0.120 -8.406 -2.012 1.00 0.21 H new ATOM 462 N ALA A 30 0.075 -4.528 -5.755 1.00 54.11 N ATOM 463 CA ALA A 30 0.069 -3.107 -6.056 1.00 34.20 C ATOM 464 C ALA A 30 -1.203 -2.387 -5.572 1.00 31.24 C ATOM 465 O ALA A 30 -1.220 -1.158 -5.629 1.00 25.02 O ATOM 466 CB ALA A 30 0.183 -2.947 -7.564 1.00 54.34 C ATOM 0 H ALA A 30 -0.121 -5.121 -6.562 1.00 54.11 H new ATOM 0 HA ALA A 30 0.907 -2.652 -5.529 1.00 34.20 H new ATOM 0 HB1 ALA A 30 0.181 -1.887 -7.819 1.00 54.34 H new ATOM 0 HB2 ALA A 30 1.112 -3.401 -7.909 1.00 54.34 H new ATOM 0 HB3 ALA A 30 -0.662 -3.438 -8.047 1.00 54.34 H new ATOM 472 N GLU A 31 -2.159 -3.062 -4.931 1.00 21.14 N ATOM 473 CA GLU A 31 -3.212 -2.397 -4.163 1.00 24.00 C ATOM 474 C GLU A 31 -2.813 -2.083 -2.712 1.00 50.12 C ATOM 475 O GLU A 31 -3.355 -1.171 -2.086 1.00 41.25 O ATOM 476 CB GLU A 31 -4.474 -3.265 -4.164 1.00 14.13 C ATOM 477 CG GLU A 31 -4.406 -4.624 -3.428 1.00 75.22 C ATOM 478 CD GLU A 31 -4.505 -5.886 -4.297 1.00 73.45 C ATOM 479 OE1 GLU A 31 -4.508 -5.832 -5.549 1.00 23.03 O ATOM 480 OE2 GLU A 31 -4.685 -6.984 -3.729 1.00 11.51 O ATOM 0 H GLU A 31 -2.225 -4.080 -4.930 1.00 21.14 H new ATOM 0 HA GLU A 31 -3.394 -1.440 -4.653 1.00 24.00 H new ATOM 0 HB2 GLU A 31 -5.283 -2.683 -3.722 1.00 14.13 H new ATOM 0 HB3 GLU A 31 -4.749 -3.457 -5.201 1.00 14.13 H new ATOM 0 HG2 GLU A 31 -3.467 -4.665 -2.875 1.00 75.22 H new ATOM 0 HG3 GLU A 31 -5.210 -4.653 -2.693 1.00 75.22 H new ATOM 487 N PHE A 32 -1.913 -2.876 -2.133 1.00 63.13 N ATOM 488 CA PHE A 32 -1.601 -2.812 -0.706 1.00 1.32 C ATOM 489 C PHE A 32 -0.947 -1.479 -0.327 1.00 71.24 C ATOM 490 O PHE A 32 -1.486 -0.700 0.457 1.00 43.42 O ATOM 491 CB PHE A 32 -0.747 -4.031 -0.360 1.00 35.40 C ATOM 492 CG PHE A 32 -0.113 -3.992 1.000 1.00 40.43 C ATOM 493 CD1 PHE A 32 -0.850 -4.385 2.131 1.00 40.32 C ATOM 494 CD2 PHE A 32 1.200 -3.527 1.149 1.00 43.22 C ATOM 495 CE1 PHE A 32 -0.269 -4.338 3.403 1.00 43.45 C ATOM 496 CE2 PHE A 32 1.793 -3.530 2.402 1.00 1.03 C ATOM 497 CZ PHE A 32 1.061 -3.921 3.532 1.00 52.33 C ATOM 0 H PHE A 32 -1.379 -3.582 -2.640 1.00 63.13 H new ATOM 0 HA PHE A 32 -2.514 -2.846 -0.112 1.00 1.32 H new ATOM 0 HB2 PHE A 32 -1.369 -4.924 -0.430 1.00 35.40 H new ATOM 0 HB3 PHE A 32 0.039 -4.130 -1.109 1.00 35.40 H new ATOM 0 HD1 PHE A 32 -1.869 -4.725 2.017 1.00 40.32 H new ATOM 0 HD2 PHE A 32 1.748 -3.167 0.291 1.00 43.22 H new ATOM 0 HE1 PHE A 32 -0.840 -4.620 4.275 1.00 43.45 H new ATOM 0 HE2 PHE A 32 2.825 -3.229 2.508 1.00 1.03 H new ATOM 0 HZ PHE A 32 1.526 -3.900 4.507 1.00 52.33 H new ATOM 507 N LEU A 33 0.222 -1.223 -0.886 1.00 50.31 N ATOM 508 CA LEU A 33 1.080 -0.082 -0.675 1.00 10.43 C ATOM 509 C LEU A 33 0.351 1.225 -0.913 1.00 70.13 C ATOM 510 O LEU A 33 0.575 2.182 -0.180 1.00 22.14 O ATOM 511 CB LEU A 33 2.333 -0.242 -1.560 1.00 54.42 C ATOM 512 CG LEU A 33 3.208 -1.386 -1.059 1.00 61.23 C ATOM 513 CD1 LEU A 33 3.651 -1.242 0.409 1.00 12.34 C ATOM 514 CD2 LEU A 33 2.930 -2.747 -1.727 1.00 71.22 C ATOM 0 H LEU A 33 0.628 -1.872 -1.561 1.00 50.31 H new ATOM 0 HA LEU A 33 1.393 -0.044 0.368 1.00 10.43 H new ATOM 0 HB2 LEU A 33 2.034 -0.432 -2.591 1.00 54.42 H new ATOM 0 HB3 LEU A 33 2.905 0.686 -1.560 1.00 54.42 H new ATOM 0 HG LEU A 33 4.214 -1.301 -1.471 1.00 61.23 H new ATOM 0 HD11 LEU A 33 4.269 -2.095 0.688 1.00 12.34 H new ATOM 0 HD12 LEU A 33 4.226 -0.323 0.527 1.00 12.34 H new ATOM 0 HD13 LEU A 33 2.772 -1.205 1.052 1.00 12.34 H new ATOM 0 HD21 LEU A 33 3.598 -3.500 -1.309 1.00 71.22 H new ATOM 0 HD22 LEU A 33 1.895 -3.038 -1.544 1.00 71.22 H new ATOM 0 HD23 LEU A 33 3.100 -2.667 -2.801 1.00 71.22 H new ATOM 526 N ARG A 34 -0.568 1.243 -1.875 1.00 30.33 N ATOM 527 CA ARG A 34 -1.426 2.403 -2.111 1.00 5.32 C ATOM 528 C ARG A 34 -2.140 2.874 -0.842 1.00 72.25 C ATOM 529 O ARG A 34 -2.117 4.070 -0.569 1.00 65.05 O ATOM 530 CB ARG A 34 -2.432 2.107 -3.242 1.00 10.12 C ATOM 531 CG ARG A 34 -3.499 3.198 -3.437 1.00 44.53 C ATOM 532 CD ARG A 34 -2.890 4.525 -3.901 1.00 33.41 C ATOM 533 NE ARG A 34 -3.850 5.628 -3.781 1.00 34.21 N ATOM 534 CZ ARG A 34 -3.838 6.597 -2.855 1.00 13.22 C ATOM 535 NH1 ARG A 34 -2.907 6.628 -1.901 1.00 62.15 N ATOM 536 NH2 ARG A 34 -4.763 7.543 -2.881 1.00 30.02 N ATOM 0 H ARG A 34 -0.739 0.462 -2.508 1.00 30.33 H new ATOM 0 HA ARG A 34 -0.781 3.224 -2.423 1.00 5.32 H new ATOM 0 HB2 ARG A 34 -1.885 1.979 -4.176 1.00 10.12 H new ATOM 0 HB3 ARG A 34 -2.930 1.161 -3.032 1.00 10.12 H new ATOM 0 HG2 ARG A 34 -4.232 2.860 -4.170 1.00 44.53 H new ATOM 0 HG3 ARG A 34 -4.033 3.353 -2.500 1.00 44.53 H new ATOM 0 HD2 ARG A 34 -2.003 4.747 -3.307 1.00 33.41 H new ATOM 0 HD3 ARG A 34 -2.565 4.435 -4.938 1.00 33.41 H new ATOM 0 HE ARG A 34 -4.601 5.661 -4.471 1.00 34.21 H new ATOM 0 HH11 ARG A 34 -2.187 5.906 -1.867 1.00 62.15 H new ATOM 0 HH12 ARG A 34 -2.915 7.374 -1.205 1.00 62.15 H new ATOM 0 HH21 ARG A 34 -5.482 7.533 -3.604 1.00 30.02 H new ATOM 0 HH22 ARG A 34 -4.757 8.282 -2.178 1.00 30.02 H new ATOM 550 N VAL A 35 -2.827 1.990 -0.115 1.00 74.15 N ATOM 551 CA VAL A 35 -3.604 2.393 1.067 1.00 5.14 C ATOM 552 C VAL A 35 -2.681 2.585 2.280 1.00 73.41 C ATOM 553 O VAL A 35 -2.932 3.451 3.115 1.00 1.11 O ATOM 554 CB VAL A 35 -4.809 1.452 1.309 1.00 53.53 C ATOM 555 CG1 VAL A 35 -5.775 1.588 0.131 1.00 31.02 C ATOM 556 CG2 VAL A 35 -4.493 -0.045 1.433 1.00 44.23 C ATOM 0 H VAL A 35 -2.863 0.992 -0.321 1.00 74.15 H new ATOM 0 HA VAL A 35 -4.056 3.368 0.884 1.00 5.14 H new ATOM 0 HB VAL A 35 -5.210 1.769 2.272 1.00 53.53 H new ATOM 0 HG11 VAL A 35 -6.631 0.931 0.285 1.00 31.02 H new ATOM 0 HG12 VAL A 35 -6.118 2.620 0.059 1.00 31.02 H new ATOM 0 HG13 VAL A 35 -5.265 1.310 -0.791 1.00 31.02 H new ATOM 0 HG21 VAL A 35 -5.417 -0.599 1.601 1.00 44.23 H new ATOM 0 HG22 VAL A 35 -4.022 -0.395 0.515 1.00 44.23 H new ATOM 0 HG23 VAL A 35 -3.816 -0.206 2.272 1.00 44.23 H new ATOM 566 N HIS A 36 -1.547 1.877 2.339 1.00 73.05 N ATOM 567 CA HIS A 36 -0.516 2.075 3.359 1.00 24.33 C ATOM 568 C HIS A 36 0.478 3.169 2.937 1.00 44.22 C ATOM 569 O HIS A 36 1.641 3.105 3.340 1.00 23.42 O ATOM 570 CB HIS A 36 0.202 0.748 3.666 1.00 11.34 C ATOM 571 CG HIS A 36 -0.726 -0.365 4.067 1.00 65.14 C ATOM 572 ND1 HIS A 36 -1.494 -1.104 3.199 1.00 22.12 N ATOM 573 CD2 HIS A 36 -0.993 -0.806 5.336 1.00 5.01 C ATOM 574 CE1 HIS A 36 -2.212 -1.969 3.921 1.00 64.21 C ATOM 575 NE2 HIS A 36 -1.927 -1.831 5.216 1.00 52.34 N ATOM 0 H HIS A 36 -1.319 1.142 1.670 1.00 73.05 H new ATOM 0 HA HIS A 36 -1.001 2.414 4.275 1.00 24.33 H new ATOM 0 HB2 HIS A 36 0.766 0.439 2.786 1.00 11.34 H new ATOM 0 HB3 HIS A 36 0.924 0.913 4.466 1.00 11.34 H new ATOM 0 HD1 HIS A 36 -1.512 -1.009 2.184 1.00 22.12 H new ATOM 0 HD2 HIS A 36 -0.562 -0.431 6.253 1.00 5.01 H new ATOM 0 HE1 HIS A 36 -2.920 -2.677 3.515 1.00 64.21 H new ATOM 583 N SER A 37 0.052 4.134 2.113 1.00 71.15 N ATOM 584 CA SER A 37 0.817 5.281 1.639 1.00 34.31 C ATOM 585 C SER A 37 0.506 6.498 2.527 1.00 52.25 C ATOM 586 O SER A 37 -0.417 7.264 2.218 1.00 45.35 O ATOM 587 CB SER A 37 0.552 5.529 0.149 1.00 4.00 C ATOM 588 OG SER A 37 1.318 6.595 -0.387 1.00 72.54 O ATOM 0 H SER A 37 -0.897 4.129 1.739 1.00 71.15 H new ATOM 0 HA SER A 37 1.886 5.084 1.721 1.00 34.31 H new ATOM 0 HB2 SER A 37 0.770 4.618 -0.408 1.00 4.00 H new ATOM 0 HB3 SER A 37 -0.507 5.744 0.006 1.00 4.00 H new ATOM 0 HG SER A 37 1.107 6.704 -1.338 1.00 72.54 H new ATOM 594 N PRO A 38 1.204 6.688 3.661 1.00 21.13 N ATOM 595 CA PRO A 38 1.097 7.911 4.434 1.00 63.41 C ATOM 596 C PRO A 38 1.681 9.043 3.590 1.00 41.03 C ATOM 597 O PRO A 38 2.774 8.914 3.031 1.00 62.35 O ATOM 598 CB PRO A 38 1.906 7.656 5.705 1.00 74.22 C ATOM 599 CG PRO A 38 3.021 6.730 5.236 1.00 65.11 C ATOM 600 CD PRO A 38 2.336 5.911 4.144 1.00 70.21 C ATOM 0 HA PRO A 38 0.076 8.190 4.696 1.00 63.41 H new ATOM 0 HB2 PRO A 38 2.302 8.582 6.122 1.00 74.22 H new ATOM 0 HB3 PRO A 38 1.298 7.191 6.481 1.00 74.22 H new ATOM 0 HG2 PRO A 38 3.875 7.287 4.850 1.00 65.11 H new ATOM 0 HG3 PRO A 38 3.391 6.099 6.044 1.00 65.11 H new ATOM 0 HD2 PRO A 38 3.030 5.699 3.331 1.00 70.21 H new ATOM 0 HD3 PRO A 38 2.002 4.951 4.537 1.00 70.21 H new ATOM 608 N SER A 39 0.946 10.139 3.439 1.00 14.14 N ATOM 609 CA SER A 39 1.524 11.322 2.830 1.00 34.30 C ATOM 610 C SER A 39 2.292 12.116 3.888 1.00 30.41 C ATOM 611 O SER A 39 2.265 11.798 5.081 1.00 62.21 O ATOM 612 CB SER A 39 0.442 12.132 2.118 1.00 3.34 C ATOM 613 OG SER A 39 0.984 12.682 0.939 1.00 4.02 O ATOM 0 H SER A 39 -0.029 10.230 3.724 1.00 14.14 H new ATOM 0 HA SER A 39 2.244 11.043 2.061 1.00 34.30 H new ATOM 0 HB2 SER A 39 -0.410 11.495 1.880 1.00 3.34 H new ATOM 0 HB3 SER A 39 0.075 12.925 2.770 1.00 3.34 H new ATOM 0 HG SER A 39 0.296 13.202 0.474 1.00 4.02 H new ATOM 619 N ALA A 40 2.974 13.166 3.437 1.00 23.51 N ATOM 620 CA ALA A 40 4.007 13.852 4.201 1.00 43.13 C ATOM 621 C ALA A 40 3.728 15.343 4.412 1.00 64.13 C ATOM 622 O ALA A 40 4.510 16.018 5.087 1.00 4.32 O ATOM 623 CB ALA A 40 5.336 13.606 3.503 1.00 61.52 C ATOM 0 H ALA A 40 2.820 13.570 2.513 1.00 23.51 H new ATOM 0 HA ALA A 40 4.028 13.445 5.212 1.00 43.13 H new ATOM 0 HB1 ALA A 40 6.133 14.108 4.051 1.00 61.52 H new ATOM 0 HB2 ALA A 40 5.537 12.535 3.470 1.00 61.52 H new ATOM 0 HB3 ALA A 40 5.292 13.999 2.487 1.00 61.52 H new ATOM 629 N GLU A 41 2.619 15.853 3.872 1.00 30.52 N ATOM 630 CA GLU A 41 2.120 17.208 4.073 1.00 42.01 C ATOM 631 C GLU A 41 0.978 17.222 5.106 1.00 63.33 C ATOM 632 O GLU A 41 0.180 18.156 5.184 1.00 12.24 O ATOM 633 CB GLU A 41 1.688 17.818 2.729 1.00 65.52 C ATOM 634 CG GLU A 41 2.739 17.777 1.605 1.00 11.31 C ATOM 635 CD GLU A 41 2.185 18.483 0.362 1.00 61.20 C ATOM 636 OE1 GLU A 41 1.117 18.043 -0.131 1.00 45.32 O ATOM 637 OE2 GLU A 41 2.751 19.522 -0.057 1.00 61.21 O ATOM 0 H GLU A 41 2.020 15.305 3.255 1.00 30.52 H new ATOM 0 HA GLU A 41 2.923 17.826 4.475 1.00 42.01 H new ATOM 0 HB2 GLU A 41 0.795 17.296 2.385 1.00 65.52 H new ATOM 0 HB3 GLU A 41 1.404 18.857 2.898 1.00 65.52 H new ATOM 0 HG2 GLU A 41 3.658 18.263 1.933 1.00 11.31 H new ATOM 0 HG3 GLU A 41 2.993 16.744 1.367 1.00 11.31 H new ATOM 644 N VAL A 42 0.886 16.144 5.884 1.00 70.14 N ATOM 645 CA VAL A 42 -0.226 15.823 6.780 1.00 23.52 C ATOM 646 C VAL A 42 -0.069 16.509 8.147 1.00 63.52 C ATOM 647 O VAL A 42 -0.904 16.338 9.035 1.00 24.22 O ATOM 648 CB VAL A 42 -0.359 14.294 6.911 1.00 4.02 C ATOM 649 CG1 VAL A 42 -1.642 13.893 7.650 1.00 14.33 C ATOM 650 CG2 VAL A 42 -0.399 13.574 5.553 1.00 2.32 C ATOM 0 H VAL A 42 1.620 15.436 5.908 1.00 70.14 H new ATOM 0 HA VAL A 42 -1.149 16.212 6.349 1.00 23.52 H new ATOM 0 HB VAL A 42 0.529 13.993 7.467 1.00 4.02 H new ATOM 0 HG11 VAL A 42 -1.697 12.807 7.721 1.00 14.33 H new ATOM 0 HG12 VAL A 42 -1.634 14.322 8.652 1.00 14.33 H new ATOM 0 HG13 VAL A 42 -2.508 14.265 7.103 1.00 14.33 H new ATOM 0 HG21 VAL A 42 -0.493 12.500 5.713 1.00 2.32 H new ATOM 0 HG22 VAL A 42 -1.252 13.931 4.977 1.00 2.32 H new ATOM 0 HG23 VAL A 42 0.521 13.780 5.005 1.00 2.32 H new ATOM 660 N GLN A 43 0.955 17.351 8.302 1.00 33.14 N ATOM 661 CA GLN A 43 1.084 18.345 9.374 1.00 5.02 C ATOM 662 C GLN A 43 0.926 17.721 10.774 1.00 21.13 C ATOM 663 O GLN A 43 0.429 18.362 11.703 1.00 64.11 O ATOM 664 CB GLN A 43 0.196 19.588 9.087 1.00 74.23 C ATOM 665 CG GLN A 43 -1.312 19.290 9.000 1.00 34.21 C ATOM 666 CD GLN A 43 -2.211 20.430 8.563 1.00 73.21 C ATOM 667 OE1 GLN A 43 -1.795 21.551 8.300 1.00 62.32 O ATOM 668 NE2 GLN A 43 -3.476 20.095 8.371 1.00 45.03 N ATOM 0 H GLN A 43 1.748 17.361 7.661 1.00 33.14 H new ATOM 0 HA GLN A 43 2.106 18.724 9.383 1.00 5.02 H new ATOM 0 HB2 GLN A 43 0.363 20.327 9.871 1.00 74.23 H new ATOM 0 HB3 GLN A 43 0.519 20.040 8.149 1.00 74.23 H new ATOM 0 HG2 GLN A 43 -1.455 18.460 8.307 1.00 34.21 H new ATOM 0 HG3 GLN A 43 -1.648 18.949 9.979 1.00 34.21 H new ATOM 0 HE21 GLN A 43 -3.794 19.153 8.599 1.00 45.03 H new ATOM 0 HE22 GLN A 43 -4.133 20.778 7.995 1.00 45.03 H new ATOM 677 N GLY A 44 1.319 16.455 10.948 1.00 64.20 N ATOM 678 CA GLY A 44 1.119 15.664 12.154 1.00 43.33 C ATOM 679 C GLY A 44 0.355 14.399 11.804 1.00 31.41 C ATOM 680 O GLY A 44 0.972 13.432 11.364 1.00 70.34 O ATOM 0 H GLY A 44 1.806 15.936 10.217 1.00 64.20 H new ATOM 0 HA2 GLY A 44 2.081 15.410 12.600 1.00 43.33 H new ATOM 0 HA3 GLY A 44 0.567 16.243 12.895 1.00 43.33 H new ATOM 684 N HIS A 45 -0.967 14.404 11.987 1.00 51.03 N ATOM 685 CA HIS A 45 -1.836 13.255 11.714 1.00 73.51 C ATOM 686 C HIS A 45 -2.994 13.592 10.771 1.00 14.41 C ATOM 687 O HIS A 45 -3.693 12.682 10.321 1.00 4.00 O ATOM 688 CB HIS A 45 -2.352 12.639 13.029 1.00 25.10 C ATOM 689 CG HIS A 45 -3.391 13.430 13.802 1.00 64.54 C ATOM 690 ND1 HIS A 45 -3.778 14.730 13.603 1.00 2.22 N flip ATOM 691 CD2 HIS A 45 -4.133 12.946 14.857 1.00 21.23 C flip ATOM 692 CE1 HIS A 45 -4.721 15.055 14.576 1.00 52.43 C flip ATOM 693 NE2 HIS A 45 -4.918 13.944 15.298 1.00 10.32 N flip ATOM 0 H HIS A 45 -1.473 15.219 12.334 1.00 51.03 H new ATOM 0 HA HIS A 45 -1.226 12.516 11.196 1.00 73.51 H new ATOM 0 HB2 HIS A 45 -2.773 11.660 12.801 1.00 25.10 H new ATOM 0 HB3 HIS A 45 -1.496 12.474 13.684 1.00 25.10 H new ATOM 0 HD2 HIS A 45 -4.091 11.944 15.258 1.00 21.23 H new ATOM 0 HE1 HIS A 45 -5.199 16.013 14.720 1.00 52.43 H new ATOM 0 HE2 HIS A 45 -5.574 13.866 16.076 1.00 10.32 H new ATOM 701 N GLY A 46 -3.195 14.875 10.450 1.00 12.02 N ATOM 702 CA GLY A 46 -4.309 15.338 9.653 1.00 45.31 C ATOM 703 C GLY A 46 -5.628 14.866 10.244 1.00 61.34 C ATOM 704 O GLY A 46 -5.993 15.242 11.360 1.00 54.34 O ATOM 0 H GLY A 46 -2.570 15.624 10.748 1.00 12.02 H new ATOM 0 HA2 GLY A 46 -4.297 16.427 9.601 1.00 45.31 H new ATOM 0 HA3 GLY A 46 -4.210 14.969 8.632 1.00 45.31 H new ATOM 708 N ASN A 47 -6.352 14.046 9.485 1.00 43.25 N ATOM 709 CA ASN A 47 -7.678 13.550 9.807 1.00 74.35 C ATOM 710 C ASN A 47 -7.777 12.093 9.357 1.00 53.44 C ATOM 711 O ASN A 47 -7.052 11.700 8.436 1.00 54.35 O ATOM 712 CB ASN A 47 -8.719 14.414 9.088 1.00 41.42 C ATOM 713 CG ASN A 47 -8.640 15.856 9.565 1.00 5.53 C ATOM 714 OD1 ASN A 47 -9.097 16.199 10.654 1.00 42.24 O ATOM 715 ND2 ASN A 47 -8.020 16.716 8.771 1.00 23.03 N ATOM 0 H ASN A 47 -6.010 13.697 8.590 1.00 43.25 H new ATOM 0 HA ASN A 47 -7.862 13.602 10.880 1.00 74.35 H new ATOM 0 HB2 ASN A 47 -8.553 14.372 8.011 1.00 41.42 H new ATOM 0 HB3 ASN A 47 -9.718 14.018 9.273 1.00 41.42 H new ATOM 0 HD21 ASN A 47 -7.912 17.689 9.058 1.00 23.03 H new ATOM 0 HD22 ASN A 47 -7.650 16.405 7.873 1.00 23.03 H new ATOM 722 N PRO A 48 -8.677 11.292 9.949 1.00 30.42 N ATOM 723 CA PRO A 48 -8.818 9.889 9.597 1.00 3.23 C ATOM 724 C PRO A 48 -9.483 9.770 8.230 1.00 51.11 C ATOM 725 O PRO A 48 -10.664 10.107 8.067 1.00 2.34 O ATOM 726 CB PRO A 48 -9.657 9.267 10.712 1.00 41.22 C ATOM 727 CG PRO A 48 -10.488 10.437 11.235 1.00 73.13 C ATOM 728 CD PRO A 48 -9.554 11.631 11.063 1.00 53.15 C ATOM 0 HA PRO A 48 -7.862 9.372 9.516 1.00 3.23 H new ATOM 0 HB2 PRO A 48 -10.290 8.463 10.336 1.00 41.22 H new ATOM 0 HB3 PRO A 48 -9.030 8.840 11.494 1.00 41.22 H new ATOM 0 HG2 PRO A 48 -11.410 10.562 10.667 1.00 73.13 H new ATOM 0 HG3 PRO A 48 -10.772 10.295 12.278 1.00 73.13 H new ATOM 0 HD2 PRO A 48 -10.117 12.541 10.855 1.00 53.15 H new ATOM 0 HD3 PRO A 48 -8.980 11.812 11.972 1.00 53.15 H new ATOM 736 N VAL A 49 -8.753 9.262 7.240 1.00 72.34 N ATOM 737 CA VAL A 49 -9.297 9.018 5.913 1.00 54.24 C ATOM 738 C VAL A 49 -8.862 7.631 5.468 1.00 52.54 C ATOM 739 O VAL A 49 -7.690 7.349 5.216 1.00 3.44 O ATOM 740 CB VAL A 49 -8.878 10.095 4.910 1.00 12.23 C ATOM 741 CG1 VAL A 49 -9.632 9.963 3.582 1.00 61.15 C ATOM 742 CG2 VAL A 49 -9.093 11.518 5.455 1.00 63.04 C ATOM 0 H VAL A 49 -7.770 9.009 7.338 1.00 72.34 H new ATOM 0 HA VAL A 49 -10.385 9.066 5.955 1.00 54.24 H new ATOM 0 HB VAL A 49 -7.813 9.936 4.741 1.00 12.23 H new ATOM 0 HG11 VAL A 49 -9.305 10.746 2.898 1.00 61.15 H new ATOM 0 HG12 VAL A 49 -9.425 8.988 3.142 1.00 61.15 H new ATOM 0 HG13 VAL A 49 -10.703 10.061 3.760 1.00 61.15 H new ATOM 0 HG21 VAL A 49 -8.781 12.246 4.706 1.00 63.04 H new ATOM 0 HG22 VAL A 49 -10.148 11.664 5.685 1.00 63.04 H new ATOM 0 HG23 VAL A 49 -8.502 11.654 6.361 1.00 63.04 H new ATOM 752 N LEU A 50 -9.880 6.801 5.342 1.00 42.31 N ATOM 753 CA LEU A 50 -9.884 5.512 4.688 1.00 42.25 C ATOM 754 C LEU A 50 -9.777 5.739 3.195 1.00 10.11 C ATOM 755 O LEU A 50 -10.599 6.448 2.612 1.00 45.25 O ATOM 756 CB LEU A 50 -11.207 4.796 5.018 1.00 53.42 C ATOM 757 CG LEU A 50 -11.425 3.495 4.226 1.00 64.11 C ATOM 758 CD1 LEU A 50 -10.327 2.480 4.532 1.00 3.21 C ATOM 759 CD2 LEU A 50 -12.798 2.937 4.574 1.00 25.44 C ATOM 0 H LEU A 50 -10.796 7.032 5.726 1.00 42.31 H new ATOM 0 HA LEU A 50 -9.049 4.899 5.027 1.00 42.25 H new ATOM 0 HB2 LEU A 50 -11.230 4.569 6.084 1.00 53.42 H new ATOM 0 HB3 LEU A 50 -12.036 5.475 4.818 1.00 53.42 H new ATOM 0 HG LEU A 50 -11.379 3.706 3.158 1.00 64.11 H new ATOM 0 HD11 LEU A 50 -10.504 1.569 3.960 1.00 3.21 H new ATOM 0 HD12 LEU A 50 -9.358 2.898 4.258 1.00 3.21 H new ATOM 0 HD13 LEU A 50 -10.334 2.247 5.597 1.00 3.21 H new ATOM 0 HD21 LEU A 50 -12.967 2.014 4.020 1.00 25.44 H new ATOM 0 HD22 LEU A 50 -12.847 2.732 5.643 1.00 25.44 H new ATOM 0 HD23 LEU A 50 -13.565 3.665 4.308 1.00 25.44 H new ATOM 771 N GLN A 51 -8.768 5.113 2.610 1.00 4.13 N ATOM 772 CA GLN A 51 -8.506 5.077 1.192 1.00 74.33 C ATOM 773 C GLN A 51 -9.195 3.816 0.654 1.00 21.01 C ATOM 774 O GLN A 51 -9.093 2.758 1.280 1.00 11.34 O ATOM 775 CB GLN A 51 -6.978 5.042 1.022 1.00 54.15 C ATOM 776 CG GLN A 51 -6.281 6.267 1.649 1.00 50.55 C ATOM 777 CD GLN A 51 -6.420 7.547 0.819 1.00 4.10 C ATOM 778 OE1 GLN A 51 -6.179 7.567 -0.388 1.00 1.13 O ATOM 779 NE2 GLN A 51 -6.833 8.641 1.440 1.00 62.21 N ATOM 0 H GLN A 51 -8.076 4.590 3.147 1.00 4.13 H new ATOM 0 HA GLN A 51 -8.887 5.938 0.644 1.00 74.33 H new ATOM 0 HB2 GLN A 51 -6.586 4.133 1.479 1.00 54.15 H new ATOM 0 HB3 GLN A 51 -6.736 4.995 -0.040 1.00 54.15 H new ATOM 0 HG2 GLN A 51 -6.696 6.441 2.642 1.00 50.55 H new ATOM 0 HG3 GLN A 51 -5.222 6.043 1.781 1.00 50.55 H new ATOM 0 HE21 GLN A 51 -7.031 8.616 2.440 1.00 62.21 H new ATOM 0 HE22 GLN A 51 -6.954 9.509 0.918 1.00 62.21 H new ATOM 788 N TYR A 52 -9.922 3.907 -0.461 1.00 2.44 N ATOM 789 CA TYR A 52 -10.624 2.784 -1.079 1.00 70.33 C ATOM 790 C TYR A 52 -10.456 2.819 -2.600 1.00 34.20 C ATOM 791 O TYR A 52 -9.720 3.646 -3.132 1.00 45.55 O ATOM 792 CB TYR A 52 -12.102 2.750 -0.645 1.00 52.24 C ATOM 793 CG TYR A 52 -12.904 3.955 -1.078 1.00 11.50 C ATOM 794 CD1 TYR A 52 -13.513 3.974 -2.345 1.00 74.23 C ATOM 795 CD2 TYR A 52 -12.999 5.079 -0.234 1.00 25.10 C ATOM 796 CE1 TYR A 52 -14.147 5.132 -2.806 1.00 45.14 C ATOM 797 CE2 TYR A 52 -13.664 6.232 -0.681 1.00 53.42 C ATOM 798 CZ TYR A 52 -14.192 6.280 -1.991 1.00 41.44 C ATOM 799 OH TYR A 52 -14.648 7.453 -2.509 1.00 34.44 O ATOM 0 H TYR A 52 -10.041 4.783 -0.969 1.00 2.44 H new ATOM 0 HA TYR A 52 -10.177 1.853 -0.729 1.00 70.33 H new ATOM 0 HB2 TYR A 52 -12.568 1.853 -1.052 1.00 52.24 H new ATOM 0 HB3 TYR A 52 -12.148 2.668 0.441 1.00 52.24 H new ATOM 0 HD1 TYR A 52 -13.491 3.090 -2.965 1.00 74.23 H new ATOM 0 HD2 TYR A 52 -12.562 5.054 0.753 1.00 25.10 H new ATOM 0 HE1 TYR A 52 -14.602 5.146 -3.786 1.00 45.14 H new ATOM 0 HE2 TYR A 52 -13.772 7.082 -0.024 1.00 53.42 H new ATOM 0 HH TYR A 52 -14.617 8.149 -1.820 1.00 34.44 H new ATOM 809 N GLY A 53 -11.082 1.862 -3.287 1.00 70.22 N ATOM 810 CA GLY A 53 -10.842 1.585 -4.696 1.00 42.53 C ATOM 811 C GLY A 53 -9.718 0.552 -4.811 1.00 72.15 C ATOM 812 O GLY A 53 -8.579 0.831 -4.431 1.00 10.52 O ATOM 0 H GLY A 53 -11.782 1.249 -2.868 1.00 70.22 H new ATOM 0 HA2 GLY A 53 -11.750 1.209 -5.167 1.00 42.53 H new ATOM 0 HA3 GLY A 53 -10.568 2.501 -5.219 1.00 42.53 H new ATOM 816 N LYS A 54 -10.015 -0.658 -5.290 1.00 11.54 N ATOM 817 CA LYS A 54 -9.045 -1.737 -5.509 1.00 51.54 C ATOM 818 C LYS A 54 -9.437 -2.624 -6.676 1.00 34.03 C ATOM 819 O LYS A 54 -8.525 -3.149 -7.301 1.00 3.51 O ATOM 820 CB LYS A 54 -8.808 -2.489 -4.206 1.00 32.10 C ATOM 821 CG LYS A 54 -7.856 -3.694 -4.279 1.00 53.21 C ATOM 822 CD LYS A 54 -8.595 -4.960 -4.705 1.00 11.23 C ATOM 823 CE LYS A 54 -7.882 -6.257 -4.312 1.00 0.41 C ATOM 824 NZ LYS A 54 -7.115 -6.894 -5.408 1.00 22.40 N ATOM 0 H LYS A 54 -10.966 -0.924 -5.545 1.00 11.54 H new ATOM 0 HA LYS A 54 -8.088 -1.307 -5.804 1.00 51.54 H new ATOM 0 HB2 LYS A 54 -8.414 -1.786 -3.472 1.00 32.10 H new ATOM 0 HB3 LYS A 54 -9.771 -2.836 -3.831 1.00 32.10 H new ATOM 0 HG2 LYS A 54 -7.053 -3.484 -4.986 1.00 53.21 H new ATOM 0 HG3 LYS A 54 -7.391 -3.852 -3.306 1.00 53.21 H new ATOM 0 HD2 LYS A 54 -9.590 -4.955 -4.260 1.00 11.23 H new ATOM 0 HD3 LYS A 54 -8.729 -4.944 -5.787 1.00 11.23 H new ATOM 0 HE2 LYS A 54 -7.203 -6.047 -3.485 1.00 0.41 H new ATOM 0 HE3 LYS A 54 -8.623 -6.967 -3.944 1.00 0.41 H new ATOM 0 HZ1 LYS A 54 -6.638 -7.745 -5.049 1.00 22.40 H new ATOM 0 HZ2 LYS A 54 -7.763 -7.159 -6.177 1.00 22.40 H new ATOM 0 HZ3 LYS A 54 -6.405 -6.225 -5.769 1.00 22.40 H new ATOM 838 N LEU A 55 -10.726 -2.783 -7.018 1.00 44.43 N ATOM 839 CA LEU A 55 -11.202 -3.676 -8.089 1.00 52.35 C ATOM 840 C LEU A 55 -10.563 -3.407 -9.465 1.00 50.42 C ATOM 841 O LEU A 55 -10.763 -4.181 -10.399 1.00 10.42 O ATOM 842 CB LEU A 55 -12.761 -3.657 -8.131 1.00 23.00 C ATOM 843 CG LEU A 55 -13.437 -4.761 -7.281 1.00 63.45 C ATOM 844 CD1 LEU A 55 -12.648 -5.224 -6.040 1.00 52.53 C ATOM 845 CD2 LEU A 55 -14.850 -4.346 -6.875 1.00 3.11 C ATOM 0 H LEU A 55 -11.482 -2.285 -6.549 1.00 44.43 H new ATOM 0 HA LEU A 55 -10.869 -4.684 -7.843 1.00 52.35 H new ATOM 0 HB2 LEU A 55 -13.110 -2.684 -7.785 1.00 23.00 H new ATOM 0 HB3 LEU A 55 -13.086 -3.762 -9.166 1.00 23.00 H new ATOM 0 HG LEU A 55 -13.467 -5.627 -7.942 1.00 63.45 H new ATOM 0 HD11 LEU A 55 -13.211 -5.998 -5.518 1.00 52.53 H new ATOM 0 HD12 LEU A 55 -11.683 -5.625 -6.351 1.00 52.53 H new ATOM 0 HD13 LEU A 55 -12.491 -4.377 -5.372 1.00 52.53 H new ATOM 0 HD21 LEU A 55 -15.304 -5.137 -6.279 1.00 3.11 H new ATOM 0 HD22 LEU A 55 -14.805 -3.429 -6.287 1.00 3.11 H new ATOM 0 HD23 LEU A 55 -15.450 -4.175 -7.769 1.00 3.11 H new ATOM 857 N ASN A 56 -9.792 -2.335 -9.607 1.00 25.20 N ATOM 858 CA ASN A 56 -9.305 -1.767 -10.849 1.00 2.54 C ATOM 859 C ASN A 56 -7.848 -1.281 -10.685 1.00 61.15 C ATOM 860 O ASN A 56 -7.178 -1.018 -11.693 1.00 23.44 O ATOM 861 CB ASN A 56 -10.234 -0.595 -11.249 1.00 10.20 C ATOM 862 CG ASN A 56 -11.525 -0.493 -10.427 1.00 31.43 C ATOM 863 OD1 ASN A 56 -11.528 0.075 -9.341 1.00 65.24 O ATOM 864 ND2 ASN A 56 -12.602 -1.155 -10.821 1.00 53.25 N ATOM 0 H ASN A 56 -9.471 -1.806 -8.797 1.00 25.20 H new ATOM 0 HA ASN A 56 -9.313 -2.524 -11.633 1.00 2.54 H new ATOM 0 HB2 ASN A 56 -9.681 0.339 -11.150 1.00 10.20 H new ATOM 0 HB3 ASN A 56 -10.497 -0.700 -12.302 1.00 10.20 H new ATOM 0 HD21 ASN A 56 -13.427 -1.190 -10.222 1.00 53.25 H new ATOM 0 HD22 ASN A 56 -12.607 -1.630 -11.724 1.00 53.25 H new ATOM 871 N VAL A 57 -7.345 -1.154 -9.439 1.00 31.10 N ATOM 872 CA VAL A 57 -6.059 -0.489 -9.205 1.00 61.33 C ATOM 873 C VAL A 57 -4.877 -1.282 -9.762 1.00 41.45 C ATOM 874 O VAL A 57 -4.900 -2.509 -9.868 1.00 31.00 O ATOM 875 CB VAL A 57 -5.889 -0.126 -7.706 1.00 41.34 C ATOM 876 CG1 VAL A 57 -5.466 -1.320 -6.850 1.00 53.12 C ATOM 877 CG2 VAL A 57 -4.876 1.006 -7.426 1.00 45.42 C ATOM 0 H VAL A 57 -7.805 -1.499 -8.597 1.00 31.10 H new ATOM 0 HA VAL A 57 -6.067 0.446 -9.765 1.00 61.33 H new ATOM 0 HB VAL A 57 -6.887 0.216 -7.433 1.00 41.34 H new ATOM 0 HG11 VAL A 57 -5.363 -1.005 -5.812 1.00 53.12 H new ATOM 0 HG12 VAL A 57 -6.222 -2.103 -6.919 1.00 53.12 H new ATOM 0 HG13 VAL A 57 -4.511 -1.705 -7.209 1.00 53.12 H new ATOM 0 HG21 VAL A 57 -4.824 1.190 -6.353 1.00 45.42 H new ATOM 0 HG22 VAL A 57 -3.892 0.713 -7.792 1.00 45.42 H new ATOM 0 HG23 VAL A 57 -5.196 1.915 -7.935 1.00 45.42 H new ATOM 887 N GLY A 58 -3.770 -0.594 -10.019 1.00 14.52 N ATOM 888 CA GLY A 58 -2.476 -1.220 -10.138 1.00 34.30 C ATOM 889 C GLY A 58 -1.332 -0.222 -10.040 1.00 31.33 C ATOM 890 O GLY A 58 -1.582 0.976 -9.951 1.00 2.22 O ATOM 0 H GLY A 58 -3.754 0.417 -10.150 1.00 14.52 H new ATOM 0 HA2 GLY A 58 -2.366 -1.971 -9.355 1.00 34.30 H new ATOM 0 HA3 GLY A 58 -2.416 -1.743 -11.092 1.00 34.30 H new ATOM 894 N LEU A 59 -0.084 -0.707 -10.091 1.00 13.40 N ATOM 895 CA LEU A 59 1.170 0.051 -10.119 1.00 10.30 C ATOM 896 C LEU A 59 1.569 0.443 -11.551 1.00 72.03 C ATOM 897 O LEU A 59 1.294 -0.282 -12.509 1.00 54.51 O ATOM 898 CB LEU A 59 2.316 -0.790 -9.524 1.00 65.13 C ATOM 899 CG LEU A 59 3.105 -0.211 -8.343 1.00 73.13 C ATOM 900 CD1 LEU A 59 3.913 0.980 -8.833 1.00 62.23 C ATOM 901 CD2 LEU A 59 2.234 0.221 -7.171 1.00 45.24 C ATOM 0 H LEU A 59 0.086 -1.713 -10.115 1.00 13.40 H new ATOM 0 HA LEU A 59 1.005 0.954 -9.531 1.00 10.30 H new ATOM 0 HB2 LEU A 59 1.898 -1.746 -9.208 1.00 65.13 H new ATOM 0 HB3 LEU A 59 3.024 -1.001 -10.325 1.00 65.13 H new ATOM 0 HG LEU A 59 3.747 -1.009 -7.970 1.00 73.13 H new ATOM 0 HD11 LEU A 59 4.479 1.402 -8.003 1.00 62.23 H new ATOM 0 HD12 LEU A 59 4.601 0.656 -9.614 1.00 62.23 H new ATOM 0 HD13 LEU A 59 3.239 1.737 -9.234 1.00 62.23 H new ATOM 0 HD21 LEU A 59 2.865 0.619 -6.376 1.00 45.24 H new ATOM 0 HD22 LEU A 59 1.536 0.991 -7.501 1.00 45.24 H new ATOM 0 HD23 LEU A 59 1.677 -0.637 -6.796 1.00 45.24 H new ATOM 913 N VAL A 60 2.332 1.530 -11.641 1.00 11.50 N ATOM 914 CA VAL A 60 2.855 2.169 -12.840 1.00 24.32 C ATOM 915 C VAL A 60 4.374 2.317 -12.799 1.00 10.11 C ATOM 916 O VAL A 60 5.026 2.091 -13.818 1.00 62.31 O ATOM 917 CB VAL A 60 2.163 3.514 -13.107 1.00 11.10 C ATOM 918 CG1 VAL A 60 0.802 3.263 -13.777 1.00 61.23 C ATOM 919 CG2 VAL A 60 2.082 4.447 -11.900 1.00 24.43 C ATOM 0 H VAL A 60 2.624 2.028 -10.800 1.00 11.50 H new ATOM 0 HA VAL A 60 2.626 1.509 -13.677 1.00 24.32 H new ATOM 0 HB VAL A 60 2.798 4.072 -13.795 1.00 11.10 H new ATOM 0 HG11 VAL A 60 0.309 4.216 -13.967 1.00 61.23 H new ATOM 0 HG12 VAL A 60 0.952 2.737 -14.720 1.00 61.23 H new ATOM 0 HG13 VAL A 60 0.179 2.657 -13.119 1.00 61.23 H new ATOM 0 HG21 VAL A 60 1.578 5.370 -12.187 1.00 24.43 H new ATOM 0 HG22 VAL A 60 1.522 3.961 -11.101 1.00 24.43 H new ATOM 0 HG23 VAL A 60 3.088 4.677 -11.550 1.00 24.43 H new ATOM 929 N GLY A 61 4.952 2.661 -11.649 1.00 50.24 N ATOM 930 CA GLY A 61 6.395 2.849 -11.519 1.00 32.04 C ATOM 931 C GLY A 61 6.807 3.070 -10.066 1.00 43.11 C ATOM 932 O GLY A 61 5.952 3.259 -9.200 1.00 43.32 O ATOM 0 H GLY A 61 4.434 2.817 -10.784 1.00 50.24 H new ATOM 0 HA2 GLY A 61 6.913 1.976 -11.915 1.00 32.04 H new ATOM 0 HA3 GLY A 61 6.706 3.704 -12.120 1.00 32.04 H new ATOM 936 N VAL A 62 8.110 2.996 -9.784 1.00 23.34 N ATOM 937 CA VAL A 62 8.658 3.009 -8.429 1.00 4.02 C ATOM 938 C VAL A 62 10.145 3.318 -8.524 1.00 65.23 C ATOM 939 O VAL A 62 10.885 2.571 -9.169 1.00 44.03 O ATOM 940 CB VAL A 62 8.352 1.668 -7.728 1.00 71.52 C ATOM 941 CG1 VAL A 62 8.818 0.415 -8.487 1.00 43.02 C ATOM 942 CG2 VAL A 62 8.879 1.512 -6.306 1.00 14.11 C ATOM 0 H VAL A 62 8.826 2.924 -10.507 1.00 23.34 H new ATOM 0 HA VAL A 62 8.195 3.782 -7.816 1.00 4.02 H new ATOM 0 HB VAL A 62 7.264 1.731 -7.709 1.00 71.52 H new ATOM 0 HG11 VAL A 62 8.558 -0.475 -7.914 1.00 43.02 H new ATOM 0 HG12 VAL A 62 8.329 0.376 -9.460 1.00 43.02 H new ATOM 0 HG13 VAL A 62 9.898 0.454 -8.625 1.00 43.02 H new ATOM 0 HG21 VAL A 62 8.602 0.531 -5.921 1.00 14.11 H new ATOM 0 HG22 VAL A 62 9.965 1.607 -6.308 1.00 14.11 H new ATOM 0 HG23 VAL A 62 8.448 2.286 -5.671 1.00 14.11 H new ATOM 952 N GLU A 63 10.583 4.418 -7.925 1.00 53.02 N ATOM 953 CA GLU A 63 11.922 4.985 -8.147 1.00 22.22 C ATOM 954 C GLU A 63 12.519 5.557 -6.856 1.00 53.01 C ATOM 955 O GLU A 63 11.775 6.041 -6.006 1.00 74.13 O ATOM 956 CB GLU A 63 11.890 6.072 -9.228 1.00 30.11 C ATOM 957 CG GLU A 63 11.412 5.501 -10.564 1.00 73.25 C ATOM 958 CD GLU A 63 11.913 6.312 -11.747 1.00 30.53 C ATOM 959 OE1 GLU A 63 11.289 7.358 -12.050 1.00 71.22 O ATOM 960 OE2 GLU A 63 12.860 5.846 -12.418 1.00 5.44 O ATOM 0 H GLU A 63 10.019 4.952 -7.264 1.00 53.02 H new ATOM 0 HA GLU A 63 12.558 4.167 -8.485 1.00 22.22 H new ATOM 0 HB2 GLU A 63 11.229 6.881 -8.916 1.00 30.11 H new ATOM 0 HB3 GLU A 63 12.885 6.501 -9.347 1.00 30.11 H new ATOM 0 HG2 GLU A 63 11.755 4.471 -10.660 1.00 73.25 H new ATOM 0 HG3 GLU A 63 10.322 5.477 -10.578 1.00 73.25 H new ATOM 967 N PRO A 64 13.844 5.498 -6.667 1.00 22.54 N ATOM 968 CA PRO A 64 14.484 5.675 -5.369 1.00 1.34 C ATOM 969 C PRO A 64 14.453 7.122 -4.856 1.00 71.11 C ATOM 970 O PRO A 64 15.228 7.967 -5.320 1.00 14.12 O ATOM 971 CB PRO A 64 15.903 5.114 -5.540 1.00 34.43 C ATOM 972 CG PRO A 64 16.171 5.266 -7.035 1.00 71.25 C ATOM 973 CD PRO A 64 14.799 5.020 -7.648 1.00 65.51 C ATOM 0 HA PRO A 64 13.940 5.142 -4.589 1.00 1.34 H new ATOM 0 HB2 PRO A 64 16.628 5.669 -4.944 1.00 34.43 H new ATOM 0 HB3 PRO A 64 15.963 4.072 -5.226 1.00 34.43 H new ATOM 0 HG2 PRO A 64 16.552 6.258 -7.279 1.00 71.25 H new ATOM 0 HG3 PRO A 64 16.908 4.545 -7.390 1.00 71.25 H new ATOM 0 HD2 PRO A 64 14.690 5.552 -8.593 1.00 65.51 H new ATOM 0 HD3 PRO A 64 14.648 3.961 -7.859 1.00 65.51 H new ATOM 981 N ALA A 65 13.622 7.401 -3.839 1.00 14.02 N ATOM 982 CA ALA A 65 13.263 8.755 -3.391 1.00 34.54 C ATOM 983 C ALA A 65 14.337 9.451 -2.569 1.00 21.33 C ATOM 984 O ALA A 65 14.070 10.358 -1.781 1.00 74.41 O ATOM 985 CB ALA A 65 11.994 8.699 -2.533 1.00 34.54 C ATOM 0 H ALA A 65 13.169 6.670 -3.291 1.00 14.02 H new ATOM 0 HA ALA A 65 13.122 9.330 -4.306 1.00 34.54 H new ATOM 0 HB1 ALA A 65 11.733 9.705 -2.204 1.00 34.54 H new ATOM 0 HB2 ALA A 65 11.175 8.285 -3.121 1.00 34.54 H new ATOM 0 HB3 ALA A 65 12.171 8.067 -1.663 1.00 34.54 H new ATOM 991 N GLY A 66 15.567 9.034 -2.747 1.00 42.14 N ATOM 992 CA GLY A 66 16.709 9.419 -1.961 1.00 10.24 C ATOM 993 C GLY A 66 17.549 8.193 -1.703 1.00 21.10 C ATOM 994 O GLY A 66 17.658 7.334 -2.580 1.00 70.45 O ATOM 0 H GLY A 66 15.809 8.378 -3.489 1.00 42.14 H new ATOM 0 HA2 GLY A 66 17.293 10.174 -2.487 1.00 10.24 H new ATOM 0 HA3 GLY A 66 16.388 9.863 -1.019 1.00 10.24 H new ATOM 998 N GLN A 67 18.120 8.114 -0.503 1.00 44.41 N ATOM 999 CA GLN A 67 18.952 6.996 -0.053 1.00 32.22 C ATOM 1000 C GLN A 67 18.315 6.267 1.137 1.00 61.53 C ATOM 1001 O GLN A 67 18.846 5.271 1.625 1.00 34.31 O ATOM 1002 CB GLN A 67 20.366 7.493 0.286 1.00 51.11 C ATOM 1003 CG GLN A 67 20.929 8.398 -0.822 1.00 34.11 C ATOM 1004 CD GLN A 67 22.431 8.633 -0.724 1.00 31.45 C ATOM 1005 OE1 GLN A 67 23.091 8.250 0.243 1.00 63.50 O ATOM 1006 NE2 GLN A 67 22.987 9.261 -1.742 1.00 34.54 N ATOM 0 H GLN A 67 18.015 8.843 0.202 1.00 44.41 H new ATOM 0 HA GLN A 67 19.027 6.274 -0.866 1.00 32.22 H new ATOM 0 HB2 GLN A 67 20.343 8.041 1.228 1.00 51.11 H new ATOM 0 HB3 GLN A 67 21.028 6.639 0.430 1.00 51.11 H new ATOM 0 HG2 GLN A 67 20.703 7.953 -1.791 1.00 34.11 H new ATOM 0 HG3 GLN A 67 20.418 9.360 -0.787 1.00 34.11 H new ATOM 0 HE21 GLN A 67 22.413 9.566 -2.528 1.00 34.54 H new ATOM 0 HE22 GLN A 67 23.991 9.442 -1.743 1.00 34.54 H new ATOM 1015 N TYR A 68 17.188 6.773 1.639 1.00 13.33 N ATOM 1016 CA TYR A 68 16.529 6.344 2.871 1.00 62.34 C ATOM 1017 C TYR A 68 15.030 6.096 2.659 1.00 21.50 C ATOM 1018 O TYR A 68 14.296 5.887 3.625 1.00 11.22 O ATOM 1019 CB TYR A 68 16.797 7.363 3.993 1.00 45.12 C ATOM 1020 CG TYR A 68 16.636 8.828 3.628 1.00 43.03 C ATOM 1021 CD1 TYR A 68 17.686 9.514 2.980 1.00 23.51 C ATOM 1022 CD2 TYR A 68 15.460 9.517 3.975 1.00 11.02 C ATOM 1023 CE1 TYR A 68 17.557 10.874 2.651 1.00 63.42 C ATOM 1024 CE2 TYR A 68 15.339 10.886 3.685 1.00 42.31 C ATOM 1025 CZ TYR A 68 16.379 11.569 3.014 1.00 13.45 C ATOM 1026 OH TYR A 68 16.229 12.891 2.734 1.00 21.44 O ATOM 0 H TYR A 68 16.686 7.530 1.174 1.00 13.33 H new ATOM 0 HA TYR A 68 16.953 5.387 3.175 1.00 62.34 H new ATOM 0 HB2 TYR A 68 16.125 7.142 4.823 1.00 45.12 H new ATOM 0 HB3 TYR A 68 17.813 7.211 4.356 1.00 45.12 H new ATOM 0 HD1 TYR A 68 18.597 8.988 2.735 1.00 23.51 H new ATOM 0 HD2 TYR A 68 14.651 8.994 4.464 1.00 11.02 H new ATOM 0 HE1 TYR A 68 18.350 11.385 2.125 1.00 63.42 H new ATOM 0 HE2 TYR A 68 14.446 11.420 3.976 1.00 42.31 H new ATOM 0 HH TYR A 68 15.356 13.197 3.057 1.00 21.44 H new ATOM 1036 N ALA A 69 14.556 6.143 1.413 1.00 53.42 N ATOM 1037 CA ALA A 69 13.157 6.113 1.058 1.00 72.42 C ATOM 1038 C ALA A 69 13.044 5.624 -0.381 1.00 31.43 C ATOM 1039 O ALA A 69 13.968 5.849 -1.164 1.00 63.14 O ATOM 1040 CB ALA A 69 12.655 7.547 1.065 1.00 21.23 C ATOM 0 H ALA A 69 15.169 6.205 0.600 1.00 53.42 H new ATOM 0 HA ALA A 69 12.599 5.476 1.744 1.00 72.42 H new ATOM 0 HB1 ALA A 69 11.598 7.564 0.800 1.00 21.23 H new ATOM 0 HB2 ALA A 69 12.787 7.974 2.059 1.00 21.23 H new ATOM 0 HB3 ALA A 69 13.220 8.134 0.340 1.00 21.23 H new ATOM 1046 N LEU A 70 11.885 5.082 -0.758 1.00 44.14 N ATOM 1047 CA LEU A 70 11.562 4.605 -2.100 1.00 14.22 C ATOM 1048 C LEU A 70 10.260 5.303 -2.494 1.00 33.41 C ATOM 1049 O LEU A 70 9.347 5.367 -1.673 1.00 63.51 O ATOM 1050 CB LEU A 70 11.366 3.070 -2.101 1.00 61.53 C ATOM 1051 CG LEU A 70 11.848 2.339 -3.371 1.00 53.22 C ATOM 1052 CD1 LEU A 70 11.299 0.913 -3.424 1.00 23.23 C ATOM 1053 CD2 LEU A 70 11.450 3.040 -4.660 1.00 14.40 C ATOM 0 H LEU A 70 11.112 4.959 -0.105 1.00 44.14 H new ATOM 0 HA LEU A 70 12.366 4.827 -2.802 1.00 14.22 H new ATOM 0 HB2 LEU A 70 11.892 2.654 -1.242 1.00 61.53 H new ATOM 0 HB3 LEU A 70 10.306 2.857 -1.960 1.00 61.53 H new ATOM 0 HG LEU A 70 12.936 2.336 -3.302 1.00 53.22 H new ATOM 0 HD11 LEU A 70 11.654 0.420 -4.329 1.00 23.23 H new ATOM 0 HD12 LEU A 70 11.642 0.358 -2.550 1.00 23.23 H new ATOM 0 HD13 LEU A 70 10.209 0.943 -3.430 1.00 23.23 H new ATOM 0 HD21 LEU A 70 11.821 2.472 -5.513 1.00 14.40 H new ATOM 0 HD22 LEU A 70 10.364 3.110 -4.716 1.00 14.40 H new ATOM 0 HD23 LEU A 70 11.879 4.042 -4.677 1.00 14.40 H new ATOM 1065 N LYS A 71 10.163 5.856 -3.698 1.00 12.40 N ATOM 1066 CA LYS A 71 8.973 6.549 -4.170 1.00 24.10 C ATOM 1067 C LYS A 71 8.130 5.531 -4.922 1.00 3.21 C ATOM 1068 O LYS A 71 8.677 4.806 -5.752 1.00 1.02 O ATOM 1069 CB LYS A 71 9.399 7.676 -5.123 1.00 1.13 C ATOM 1070 CG LYS A 71 8.439 8.857 -5.107 1.00 22.24 C ATOM 1071 CD LYS A 71 8.542 9.727 -3.843 1.00 11.42 C ATOM 1072 CE LYS A 71 8.449 11.196 -4.258 1.00 73.33 C ATOM 1073 NZ LYS A 71 8.422 12.130 -3.115 1.00 2.33 N ATOM 0 H LYS A 71 10.920 5.834 -4.382 1.00 12.40 H new ATOM 0 HA LYS A 71 8.408 6.980 -3.343 1.00 24.10 H new ATOM 0 HB2 LYS A 71 10.396 8.020 -4.848 1.00 1.13 H new ATOM 0 HB3 LYS A 71 9.466 7.282 -6.137 1.00 1.13 H new ATOM 0 HG2 LYS A 71 8.630 9.480 -5.981 1.00 22.24 H new ATOM 0 HG3 LYS A 71 7.419 8.484 -5.198 1.00 22.24 H new ATOM 0 HD2 LYS A 71 7.742 9.479 -3.146 1.00 11.42 H new ATOM 0 HD3 LYS A 71 9.484 9.537 -3.328 1.00 11.42 H new ATOM 0 HE2 LYS A 71 9.298 11.440 -4.896 1.00 73.33 H new ATOM 0 HE3 LYS A 71 7.549 11.340 -4.856 1.00 73.33 H new ATOM 0 HZ1 LYS A 71 8.059 13.053 -3.429 1.00 2.33 H new ATOM 0 HZ2 LYS A 71 7.804 11.750 -2.370 1.00 2.33 H new ATOM 0 HZ3 LYS A 71 9.385 12.247 -2.739 1.00 2.33 H new ATOM 1087 N LEU A 72 6.835 5.439 -4.635 1.00 14.31 N ATOM 1088 CA LEU A 72 5.901 4.637 -5.423 1.00 31.52 C ATOM 1089 C LEU A 72 4.998 5.595 -6.195 1.00 3.24 C ATOM 1090 O LEU A 72 4.571 6.621 -5.654 1.00 45.13 O ATOM 1091 CB LEU A 72 5.080 3.707 -4.504 1.00 42.42 C ATOM 1092 CG LEU A 72 5.835 2.420 -4.096 1.00 31.53 C ATOM 1093 CD1 LEU A 72 5.770 2.143 -2.593 1.00 21.24 C ATOM 1094 CD2 LEU A 72 5.299 1.185 -4.832 1.00 32.51 C ATOM 0 H LEU A 72 6.401 5.920 -3.847 1.00 14.31 H new ATOM 0 HA LEU A 72 6.440 3.998 -6.122 1.00 31.52 H new ATOM 0 HB2 LEU A 72 4.798 4.254 -3.604 1.00 42.42 H new ATOM 0 HB3 LEU A 72 4.156 3.431 -5.012 1.00 42.42 H new ATOM 0 HG LEU A 72 6.872 2.602 -4.378 1.00 31.53 H new ATOM 0 HD11 LEU A 72 6.317 1.228 -2.368 1.00 21.24 H new ATOM 0 HD12 LEU A 72 6.217 2.976 -2.050 1.00 21.24 H new ATOM 0 HD13 LEU A 72 4.730 2.028 -2.289 1.00 21.24 H new ATOM 0 HD21 LEU A 72 5.856 0.303 -4.517 1.00 32.51 H new ATOM 0 HD22 LEU A 72 4.243 1.051 -4.596 1.00 32.51 H new ATOM 0 HD23 LEU A 72 5.416 1.323 -5.907 1.00 32.51 H new ATOM 1106 N SER A 73 4.652 5.230 -7.424 1.00 25.01 N ATOM 1107 CA SER A 73 3.605 5.856 -8.213 1.00 43.25 C ATOM 1108 C SER A 73 2.415 4.902 -8.141 1.00 1.20 C ATOM 1109 O SER A 73 2.609 3.698 -8.269 1.00 65.42 O ATOM 1110 CB SER A 73 4.122 6.040 -9.649 1.00 53.31 C ATOM 1111 OG SER A 73 5.223 6.934 -9.652 1.00 41.35 O ATOM 0 H SER A 73 5.111 4.462 -7.913 1.00 25.01 H new ATOM 0 HA SER A 73 3.313 6.842 -7.851 1.00 43.25 H new ATOM 0 HB2 SER A 73 4.422 5.078 -10.063 1.00 53.31 H new ATOM 0 HB3 SER A 73 3.326 6.427 -10.285 1.00 53.31 H new ATOM 0 HG SER A 73 5.550 7.047 -10.569 1.00 41.35 H new ATOM 1117 N PHE A 74 1.194 5.394 -7.947 1.00 52.33 N ATOM 1118 CA PHE A 74 -0.002 4.562 -7.990 1.00 54.14 C ATOM 1119 C PHE A 74 -0.996 5.303 -8.881 1.00 61.32 C ATOM 1120 O PHE A 74 -1.111 6.524 -8.808 1.00 53.33 O ATOM 1121 CB PHE A 74 -0.637 4.400 -6.603 1.00 64.03 C ATOM 1122 CG PHE A 74 0.262 3.950 -5.470 1.00 64.15 C ATOM 1123 CD1 PHE A 74 0.608 2.594 -5.349 1.00 13.44 C ATOM 1124 CD2 PHE A 74 0.693 4.867 -4.492 1.00 65.14 C ATOM 1125 CE1 PHE A 74 1.417 2.161 -4.288 1.00 23.32 C ATOM 1126 CE2 PHE A 74 1.470 4.425 -3.409 1.00 25.21 C ATOM 1127 CZ PHE A 74 1.851 3.077 -3.315 1.00 41.33 C ATOM 0 H PHE A 74 1.008 6.378 -7.756 1.00 52.33 H new ATOM 0 HA PHE A 74 0.254 3.568 -8.356 1.00 54.14 H new ATOM 0 HB2 PHE A 74 -1.079 5.356 -6.322 1.00 64.03 H new ATOM 0 HB3 PHE A 74 -1.454 3.684 -6.689 1.00 64.03 H new ATOM 0 HD1 PHE A 74 0.249 1.881 -6.077 1.00 13.44 H new ATOM 0 HD2 PHE A 74 0.426 5.910 -4.575 1.00 65.14 H new ATOM 0 HE1 PHE A 74 1.706 1.123 -4.219 1.00 23.32 H new ATOM 0 HE2 PHE A 74 1.776 5.125 -2.645 1.00 25.21 H new ATOM 0 HZ PHE A 74 2.475 2.746 -2.498 1.00 41.33 H new ATOM 1137 N ASP A 75 -1.724 4.547 -9.689 1.00 72.15 N ATOM 1138 CA ASP A 75 -2.516 5.016 -10.836 1.00 4.23 C ATOM 1139 C ASP A 75 -3.934 5.429 -10.426 1.00 63.04 C ATOM 1140 O ASP A 75 -4.692 5.956 -11.238 1.00 10.11 O ATOM 1141 CB ASP A 75 -2.505 3.929 -11.922 1.00 33.23 C ATOM 1142 CG ASP A 75 -3.606 4.024 -12.981 1.00 14.22 C ATOM 1143 OD1 ASP A 75 -3.501 4.872 -13.887 1.00 11.54 O ATOM 1144 OD2 ASP A 75 -4.470 3.114 -13.033 1.00 3.20 O ATOM 0 H ASP A 75 -1.787 3.537 -9.563 1.00 72.15 H new ATOM 0 HA ASP A 75 -2.063 5.920 -11.243 1.00 4.23 H new ATOM 0 HB2 ASP A 75 -1.540 3.959 -12.427 1.00 33.23 H new ATOM 0 HB3 ASP A 75 -2.580 2.957 -11.435 1.00 33.23 H new ATOM 1149 N ASP A 76 -4.293 5.227 -9.158 1.00 11.41 N ATOM 1150 CA ASP A 76 -5.392 5.922 -8.488 1.00 22.44 C ATOM 1151 C ASP A 76 -4.876 6.937 -7.448 1.00 34.22 C ATOM 1152 O ASP A 76 -5.670 7.582 -6.762 1.00 33.03 O ATOM 1153 CB ASP A 76 -6.329 4.896 -7.841 1.00 62.14 C ATOM 1154 CG ASP A 76 -5.815 4.437 -6.476 1.00 62.11 C ATOM 1155 OD1 ASP A 76 -4.598 4.179 -6.357 1.00 73.41 O ATOM 1156 OD2 ASP A 76 -6.645 4.309 -5.546 1.00 52.35 O ATOM 0 H ASP A 76 -3.815 4.559 -8.553 1.00 11.41 H new ATOM 0 HA ASP A 76 -5.947 6.491 -9.234 1.00 22.44 H new ATOM 0 HB2 ASP A 76 -7.322 5.332 -7.728 1.00 62.14 H new ATOM 0 HB3 ASP A 76 -6.433 4.033 -8.499 1.00 62.14 H new ATOM 1161 N GLY A 77 -3.557 7.089 -7.314 1.00 44.11 N ATOM 1162 CA GLY A 77 -2.877 7.824 -6.257 1.00 41.23 C ATOM 1163 C GLY A 77 -2.220 9.085 -6.799 1.00 54.21 C ATOM 1164 O GLY A 77 -2.737 9.702 -7.733 1.00 2.13 O ATOM 0 H GLY A 77 -2.902 6.678 -7.980 1.00 44.11 H new ATOM 0 HA2 GLY A 77 -3.591 8.089 -5.477 1.00 41.23 H new ATOM 0 HA3 GLY A 77 -2.122 7.187 -5.795 1.00 41.23 H new ATOM 1168 N HIS A 78 -1.120 9.509 -6.172 1.00 74.24 N ATOM 1169 CA HIS A 78 -0.389 10.718 -6.477 1.00 61.25 C ATOM 1170 C HIS A 78 1.072 10.497 -6.091 1.00 65.31 C ATOM 1171 O HIS A 78 1.345 9.889 -5.054 1.00 14.53 O ATOM 1172 CB HIS A 78 -0.996 11.868 -5.671 1.00 43.14 C ATOM 1173 CG HIS A 78 -1.199 11.617 -4.188 1.00 62.02 C ATOM 1174 ND1 HIS A 78 -0.390 12.083 -3.178 1.00 14.12 N ATOM 1175 CD2 HIS A 78 -2.259 10.979 -3.593 1.00 41.44 C ATOM 1176 CE1 HIS A 78 -0.946 11.737 -2.008 1.00 41.41 C ATOM 1177 NE2 HIS A 78 -2.093 11.066 -2.204 1.00 50.43 N ATOM 0 H HIS A 78 -0.704 8.985 -5.402 1.00 74.24 H new ATOM 0 HA HIS A 78 -0.447 10.964 -7.537 1.00 61.25 H new ATOM 0 HB2 HIS A 78 -0.354 12.742 -5.785 1.00 43.14 H new ATOM 0 HB3 HIS A 78 -1.961 12.121 -6.110 1.00 43.14 H new ATOM 0 HD2 HIS A 78 -3.077 10.495 -4.105 1.00 41.44 H new ATOM 0 HE1 HIS A 78 -0.528 11.967 -1.039 1.00 41.41 H new ATOM 0 HE2 HIS A 78 -2.717 10.695 -1.487 1.00 50.43 H new ATOM 1185 N ASP A 79 2.015 10.997 -6.891 1.00 42.21 N ATOM 1186 CA ASP A 79 3.453 10.854 -6.661 1.00 73.42 C ATOM 1187 C ASP A 79 3.991 12.024 -5.830 1.00 31.04 C ATOM 1188 O ASP A 79 4.900 12.755 -6.230 1.00 14.35 O ATOM 1189 CB ASP A 79 4.187 10.693 -7.994 1.00 70.33 C ATOM 1190 CG ASP A 79 5.683 10.431 -7.806 1.00 42.42 C ATOM 1191 OD1 ASP A 79 6.072 9.914 -6.735 1.00 52.12 O ATOM 1192 OD2 ASP A 79 6.437 10.668 -8.776 1.00 73.35 O ATOM 0 H ASP A 79 1.795 11.524 -7.736 1.00 42.21 H new ATOM 0 HA ASP A 79 3.635 9.950 -6.080 1.00 73.42 H new ATOM 0 HB2 ASP A 79 3.744 9.869 -8.553 1.00 70.33 H new ATOM 0 HB3 ASP A 79 4.051 11.594 -8.592 1.00 70.33 H new ATOM 1197 N SER A 80 3.386 12.241 -4.663 1.00 41.44 N ATOM 1198 CA SER A 80 3.804 13.272 -3.722 1.00 30.43 C ATOM 1199 C SER A 80 3.577 12.757 -2.306 1.00 50.12 C ATOM 1200 O SER A 80 2.819 13.324 -1.517 1.00 71.14 O ATOM 1201 CB SER A 80 3.106 14.593 -4.059 1.00 30.34 C ATOM 1202 OG SER A 80 3.800 15.714 -3.540 1.00 21.33 O ATOM 0 H SER A 80 2.583 11.699 -4.343 1.00 41.44 H new ATOM 0 HA SER A 80 4.869 13.491 -3.798 1.00 30.43 H new ATOM 0 HB2 SER A 80 3.020 14.690 -5.141 1.00 30.34 H new ATOM 0 HB3 SER A 80 2.092 14.578 -3.659 1.00 30.34 H new ATOM 0 HG SER A 80 3.321 16.535 -3.779 1.00 21.33 H new ATOM 1208 N GLY A 81 4.233 11.641 -2.006 1.00 10.03 N ATOM 1209 CA GLY A 81 4.298 11.055 -0.680 1.00 52.05 C ATOM 1210 C GLY A 81 5.738 10.734 -0.323 1.00 13.11 C ATOM 1211 O GLY A 81 6.662 10.980 -1.108 1.00 50.41 O ATOM 0 H GLY A 81 4.749 11.106 -2.704 1.00 10.03 H new ATOM 0 HA2 GLY A 81 3.879 11.745 0.052 1.00 52.05 H new ATOM 0 HA3 GLY A 81 3.695 10.148 -0.645 1.00 52.05 H new ATOM 1215 N LEU A 82 5.917 10.160 0.865 1.00 13.00 N ATOM 1216 CA LEU A 82 7.185 9.635 1.345 1.00 12.41 C ATOM 1217 C LEU A 82 6.957 8.197 1.816 1.00 22.40 C ATOM 1218 O LEU A 82 5.837 7.811 2.149 1.00 42.14 O ATOM 1219 CB LEU A 82 7.767 10.527 2.469 1.00 61.54 C ATOM 1220 CG LEU A 82 8.702 11.646 1.944 1.00 62.22 C ATOM 1221 CD1 LEU A 82 7.992 12.954 1.592 1.00 23.45 C ATOM 1222 CD2 LEU A 82 9.804 11.962 2.969 1.00 50.10 C ATOM 0 H LEU A 82 5.158 10.046 1.537 1.00 13.00 H new ATOM 0 HA LEU A 82 7.922 9.638 0.542 1.00 12.41 H new ATOM 0 HB2 LEU A 82 6.946 10.980 3.025 1.00 61.54 H new ATOM 0 HB3 LEU A 82 8.319 9.901 3.170 1.00 61.54 H new ATOM 0 HG LEU A 82 9.120 11.243 1.021 1.00 62.22 H new ATOM 0 HD11 LEU A 82 8.722 13.679 1.234 1.00 23.45 H new ATOM 0 HD12 LEU A 82 7.253 12.768 0.813 1.00 23.45 H new ATOM 0 HD13 LEU A 82 7.494 13.348 2.478 1.00 23.45 H new ATOM 0 HD21 LEU A 82 10.448 12.750 2.579 1.00 50.10 H new ATOM 0 HD22 LEU A 82 9.349 12.294 3.902 1.00 50.10 H new ATOM 0 HD23 LEU A 82 10.397 11.066 3.153 1.00 50.10 H new ATOM 1234 N PHE A 83 8.024 7.408 1.842 1.00 74.24 N ATOM 1235 CA PHE A 83 8.129 6.113 2.505 1.00 23.40 C ATOM 1236 C PHE A 83 9.469 6.082 3.243 1.00 3.43 C ATOM 1237 O PHE A 83 10.299 6.987 3.085 1.00 2.43 O ATOM 1238 CB PHE A 83 8.027 4.957 1.492 1.00 53.32 C ATOM 1239 CG PHE A 83 6.614 4.630 1.051 1.00 61.35 C ATOM 1240 CD1 PHE A 83 5.792 3.877 1.905 1.00 31.30 C ATOM 1241 CD2 PHE A 83 6.116 5.053 -0.195 1.00 51.03 C ATOM 1242 CE1 PHE A 83 4.468 3.580 1.542 1.00 5.03 C ATOM 1243 CE2 PHE A 83 4.783 4.766 -0.553 1.00 43.35 C ATOM 1244 CZ PHE A 83 3.959 4.037 0.321 1.00 34.11 C ATOM 0 H PHE A 83 8.891 7.670 1.373 1.00 74.24 H new ATOM 0 HA PHE A 83 7.306 5.982 3.208 1.00 23.40 H new ATOM 0 HB2 PHE A 83 8.620 5.208 0.612 1.00 53.32 H new ATOM 0 HB3 PHE A 83 8.472 4.065 1.932 1.00 53.32 H new ATOM 0 HD1 PHE A 83 6.181 3.523 2.848 1.00 31.30 H new ATOM 0 HD2 PHE A 83 6.754 5.597 -0.876 1.00 51.03 H new ATOM 0 HE1 PHE A 83 3.843 2.999 2.205 1.00 5.03 H new ATOM 0 HE2 PHE A 83 4.394 5.107 -1.501 1.00 43.35 H new ATOM 0 HZ PHE A 83 2.934 3.830 0.051 1.00 34.11 H new ATOM 1254 N THR A 84 9.730 5.029 4.011 1.00 5.20 N ATOM 1255 CA THR A 84 11.028 4.832 4.637 1.00 25.30 C ATOM 1256 C THR A 84 11.343 3.340 4.627 1.00 22.51 C ATOM 1257 O THR A 84 10.432 2.515 4.528 1.00 42.25 O ATOM 1258 CB THR A 84 11.064 5.448 6.053 1.00 2.24 C ATOM 1259 OG1 THR A 84 10.075 6.440 6.255 1.00 5.04 O ATOM 1260 CG2 THR A 84 12.403 6.149 6.256 1.00 71.22 C ATOM 0 H THR A 84 9.052 4.295 4.215 1.00 5.20 H new ATOM 0 HA THR A 84 11.804 5.352 4.075 1.00 25.30 H new ATOM 0 HB THR A 84 10.895 4.624 6.746 1.00 2.24 H new ATOM 0 HG1 THR A 84 10.146 6.791 7.167 1.00 5.04 H new ATOM 0 HG21 THR A 84 12.437 6.587 7.254 1.00 71.22 H new ATOM 0 HG22 THR A 84 13.212 5.426 6.149 1.00 71.22 H new ATOM 0 HG23 THR A 84 12.519 6.936 5.510 1.00 71.22 H new ATOM 1268 N TRP A 85 12.628 2.993 4.680 1.00 12.02 N ATOM 1269 CA TRP A 85 13.070 1.617 4.515 1.00 54.23 C ATOM 1270 C TRP A 85 12.601 0.702 5.650 1.00 74.21 C ATOM 1271 O TRP A 85 12.149 -0.410 5.371 1.00 3.01 O ATOM 1272 CB TRP A 85 14.589 1.594 4.332 1.00 54.25 C ATOM 1273 CG TRP A 85 15.105 2.118 3.027 1.00 64.33 C ATOM 1274 CD1 TRP A 85 16.173 2.933 2.897 1.00 32.31 C ATOM 1275 CD2 TRP A 85 14.713 1.757 1.664 1.00 11.22 C ATOM 1276 NE1 TRP A 85 16.457 3.134 1.562 1.00 13.40 N ATOM 1277 CE2 TRP A 85 15.613 2.395 0.759 1.00 32.54 C ATOM 1278 CE3 TRP A 85 13.748 0.894 1.095 1.00 71.24 C ATOM 1279 CZ2 TRP A 85 15.573 2.147 -0.618 1.00 13.32 C ATOM 1280 CZ3 TRP A 85 13.672 0.682 -0.293 1.00 10.13 C ATOM 1281 CH2 TRP A 85 14.586 1.305 -1.151 1.00 2.30 C ATOM 0 H TRP A 85 13.386 3.657 4.838 1.00 12.02 H new ATOM 0 HA TRP A 85 12.603 1.210 3.618 1.00 54.23 H new ATOM 0 HB2 TRP A 85 15.040 2.174 5.137 1.00 54.25 H new ATOM 0 HB3 TRP A 85 14.933 0.566 4.449 1.00 54.25 H new ATOM 0 HD1 TRP A 85 16.725 3.365 3.719 1.00 32.31 H new ATOM 0 HE1 TRP A 85 17.194 3.748 1.215 1.00 13.40 H new ATOM 0 HE3 TRP A 85 13.051 0.384 1.744 1.00 71.24 H new ATOM 0 HZ2 TRP A 85 16.302 2.604 -1.270 1.00 13.32 H new ATOM 0 HZ3 TRP A 85 12.906 0.037 -0.698 1.00 10.13 H new ATOM 0 HH2 TRP A 85 14.531 1.138 -2.217 1.00 2.30 H new ATOM 1292 N ASP A 86 12.642 1.173 6.904 1.00 63.45 N ATOM 1293 CA ASP A 86 12.119 0.440 8.059 1.00 11.13 C ATOM 1294 C ASP A 86 10.666 0.034 7.806 1.00 43.24 C ATOM 1295 O ASP A 86 10.328 -1.146 7.896 1.00 1.14 O ATOM 1296 CB ASP A 86 12.235 1.310 9.331 1.00 13.23 C ATOM 1297 CG ASP A 86 13.110 0.675 10.413 1.00 11.10 C ATOM 1298 OD1 ASP A 86 12.765 -0.369 10.994 1.00 30.22 O ATOM 1299 OD2 ASP A 86 14.240 1.167 10.663 1.00 21.40 O ATOM 0 H ASP A 86 13.042 2.080 7.144 1.00 63.45 H new ATOM 0 HA ASP A 86 12.707 -0.466 8.208 1.00 11.13 H new ATOM 0 HB2 ASP A 86 12.648 2.283 9.063 1.00 13.23 H new ATOM 0 HB3 ASP A 86 11.238 1.487 9.735 1.00 13.23 H new ATOM 1304 N TYR A 87 9.837 1.019 7.443 1.00 24.32 N ATOM 1305 CA TYR A 87 8.410 0.881 7.183 1.00 51.23 C ATOM 1306 C TYR A 87 8.133 -0.009 5.968 1.00 44.31 C ATOM 1307 O TYR A 87 7.151 -0.745 5.973 1.00 12.12 O ATOM 1308 CB TYR A 87 7.808 2.285 7.017 1.00 1.40 C ATOM 1309 CG TYR A 87 6.309 2.358 6.771 1.00 1.41 C ATOM 1310 CD1 TYR A 87 5.407 1.670 7.602 1.00 65.32 C ATOM 1311 CD2 TYR A 87 5.806 3.161 5.731 1.00 74.35 C ATOM 1312 CE1 TYR A 87 4.024 1.760 7.376 1.00 52.22 C ATOM 1313 CE2 TYR A 87 4.423 3.248 5.491 1.00 3.10 C ATOM 1314 CZ TYR A 87 3.519 2.544 6.315 1.00 11.10 C ATOM 1315 OH TYR A 87 2.182 2.586 6.048 1.00 25.12 O ATOM 0 H TYR A 87 10.164 1.977 7.318 1.00 24.32 H new ATOM 0 HA TYR A 87 7.935 0.382 8.028 1.00 51.23 H new ATOM 0 HB2 TYR A 87 8.035 2.861 7.914 1.00 1.40 H new ATOM 0 HB3 TYR A 87 8.314 2.777 6.186 1.00 1.40 H new ATOM 0 HD1 TYR A 87 5.780 1.069 8.418 1.00 65.32 H new ATOM 0 HD2 TYR A 87 6.491 3.718 5.109 1.00 74.35 H new ATOM 0 HE1 TYR A 87 3.341 1.225 8.019 1.00 52.22 H new ATOM 0 HE2 TYR A 87 4.053 3.853 4.677 1.00 3.10 H new ATOM 0 HH TYR A 87 2.044 2.763 5.094 1.00 25.12 H new ATOM 1325 N LEU A 88 8.948 0.027 4.908 1.00 62.24 N ATOM 1326 CA LEU A 88 8.721 -0.840 3.746 1.00 12.33 C ATOM 1327 C LEU A 88 8.816 -2.305 4.156 1.00 3.33 C ATOM 1328 O LEU A 88 7.939 -3.103 3.819 1.00 75.55 O ATOM 1329 CB LEU A 88 9.695 -0.520 2.601 1.00 22.50 C ATOM 1330 CG LEU A 88 9.150 0.570 1.659 1.00 52.05 C ATOM 1331 CD1 LEU A 88 10.279 1.103 0.777 1.00 64.21 C ATOM 1332 CD2 LEU A 88 8.030 0.042 0.747 1.00 45.31 C ATOM 0 H LEU A 88 9.761 0.639 4.830 1.00 62.24 H new ATOM 0 HA LEU A 88 7.715 -0.648 3.373 1.00 12.33 H new ATOM 0 HB2 LEU A 88 10.648 -0.194 3.018 1.00 22.50 H new ATOM 0 HB3 LEU A 88 9.891 -1.427 2.029 1.00 22.50 H new ATOM 0 HG LEU A 88 8.740 1.361 2.288 1.00 52.05 H new ATOM 0 HD11 LEU A 88 9.889 1.874 0.112 1.00 64.21 H new ATOM 0 HD12 LEU A 88 11.062 1.528 1.405 1.00 64.21 H new ATOM 0 HD13 LEU A 88 10.693 0.288 0.183 1.00 64.21 H new ATOM 0 HD21 LEU A 88 7.677 0.846 0.101 1.00 45.31 H new ATOM 0 HD22 LEU A 88 8.414 -0.774 0.134 1.00 45.31 H new ATOM 0 HD23 LEU A 88 7.204 -0.321 1.358 1.00 45.31 H new ATOM 1344 N TYR A 89 9.875 -2.664 4.884 1.00 62.14 N ATOM 1345 CA TYR A 89 10.049 -4.036 5.326 1.00 24.22 C ATOM 1346 C TYR A 89 9.109 -4.416 6.462 1.00 42.13 C ATOM 1347 O TYR A 89 8.687 -5.568 6.500 1.00 71.21 O ATOM 1348 CB TYR A 89 11.510 -4.303 5.687 1.00 71.34 C ATOM 1349 CG TYR A 89 12.286 -4.967 4.569 1.00 60.25 C ATOM 1350 CD1 TYR A 89 11.791 -6.116 3.917 1.00 32.20 C ATOM 1351 CD2 TYR A 89 13.534 -4.449 4.193 1.00 14.13 C ATOM 1352 CE1 TYR A 89 12.527 -6.707 2.890 1.00 20.41 C ATOM 1353 CE2 TYR A 89 14.314 -5.102 3.232 1.00 54.42 C ATOM 1354 CZ TYR A 89 13.798 -6.217 2.548 1.00 43.15 C ATOM 1355 OH TYR A 89 14.545 -6.851 1.611 1.00 34.23 O ATOM 0 H TYR A 89 10.615 -2.025 5.175 1.00 62.14 H new ATOM 0 HA TYR A 89 9.779 -4.679 4.489 1.00 24.22 H new ATOM 0 HB2 TYR A 89 11.992 -3.360 5.946 1.00 71.34 H new ATOM 0 HB3 TYR A 89 11.549 -4.935 6.574 1.00 71.34 H new ATOM 0 HD1 TYR A 89 10.842 -6.538 4.213 1.00 32.20 H new ATOM 0 HD2 TYR A 89 13.896 -3.539 4.649 1.00 14.13 H new ATOM 0 HE1 TYR A 89 12.116 -7.549 2.353 1.00 20.41 H new ATOM 0 HE2 TYR A 89 15.312 -4.750 3.016 1.00 54.42 H new ATOM 0 HH TYR A 89 14.837 -7.720 1.958 1.00 34.23 H new ATOM 1365 N GLU A 90 8.746 -3.486 7.343 1.00 53.34 N ATOM 1366 CA GLU A 90 7.698 -3.688 8.336 1.00 40.12 C ATOM 1367 C GLU A 90 6.443 -4.211 7.622 1.00 44.25 C ATOM 1368 O GLU A 90 5.976 -5.326 7.874 1.00 52.23 O ATOM 1369 CB GLU A 90 7.451 -2.350 9.053 1.00 34.50 C ATOM 1370 CG GLU A 90 6.392 -2.460 10.154 1.00 61.33 C ATOM 1371 CD GLU A 90 5.822 -1.103 10.589 1.00 60.45 C ATOM 1372 OE1 GLU A 90 6.504 -0.057 10.481 1.00 3.33 O ATOM 1373 OE2 GLU A 90 4.665 -1.084 11.071 1.00 44.11 O ATOM 0 H GLU A 90 9.177 -2.562 7.386 1.00 53.34 H new ATOM 0 HA GLU A 90 7.984 -4.425 9.086 1.00 40.12 H new ATOM 0 HB2 GLU A 90 8.386 -1.996 9.487 1.00 34.50 H new ATOM 0 HB3 GLU A 90 7.136 -1.604 8.324 1.00 34.50 H new ATOM 0 HG2 GLU A 90 5.577 -3.092 9.802 1.00 61.33 H new ATOM 0 HG3 GLU A 90 6.829 -2.957 11.020 1.00 61.33 H new ATOM 1380 N LEU A 91 5.945 -3.434 6.656 1.00 73.43 N ATOM 1381 CA LEU A 91 4.765 -3.785 5.885 1.00 43.35 C ATOM 1382 C LEU A 91 4.903 -5.131 5.154 1.00 52.31 C ATOM 1383 O LEU A 91 3.891 -5.789 4.936 1.00 51.42 O ATOM 1384 CB LEU A 91 4.467 -2.690 4.861 1.00 4.20 C ATOM 1385 CG LEU A 91 3.963 -1.324 5.362 1.00 45.41 C ATOM 1386 CD1 LEU A 91 3.614 -0.477 4.130 1.00 12.44 C ATOM 1387 CD2 LEU A 91 2.708 -1.406 6.226 1.00 23.13 C ATOM 0 H LEU A 91 6.357 -2.539 6.391 1.00 73.43 H new ATOM 0 HA LEU A 91 3.945 -3.881 6.597 1.00 43.35 H new ATOM 0 HB2 LEU A 91 5.378 -2.516 4.289 1.00 4.20 H new ATOM 0 HB3 LEU A 91 3.724 -3.081 4.166 1.00 4.20 H new ATOM 0 HG LEU A 91 4.755 -0.897 5.978 1.00 45.41 H new ATOM 0 HD11 LEU A 91 3.253 0.500 4.451 1.00 12.44 H new ATOM 0 HD12 LEU A 91 4.503 -0.350 3.512 1.00 12.44 H new ATOM 0 HD13 LEU A 91 2.838 -0.979 3.551 1.00 12.44 H new ATOM 0 HD21 LEU A 91 2.416 -0.404 6.540 1.00 23.13 H new ATOM 0 HD22 LEU A 91 1.899 -1.856 5.651 1.00 23.13 H new ATOM 0 HD23 LEU A 91 2.911 -2.017 7.106 1.00 23.13 H new ATOM 1399 N ALA A 92 6.113 -5.564 4.778 1.00 44.04 N ATOM 1400 CA ALA A 92 6.362 -6.845 4.110 1.00 11.01 C ATOM 1401 C ALA A 92 5.808 -8.014 4.955 1.00 3.12 C ATOM 1402 O ALA A 92 5.000 -8.803 4.460 1.00 22.10 O ATOM 1403 CB ALA A 92 7.859 -6.983 3.775 1.00 34.42 C ATOM 0 H ALA A 92 6.963 -5.022 4.933 1.00 44.04 H new ATOM 0 HA ALA A 92 5.826 -6.878 3.161 1.00 11.01 H new ATOM 0 HB1 ALA A 92 8.034 -7.938 3.279 1.00 34.42 H new ATOM 0 HB2 ALA A 92 8.160 -6.170 3.114 1.00 34.42 H new ATOM 0 HB3 ALA A 92 8.443 -6.939 4.694 1.00 34.42 H new ATOM 1409 N THR A 93 6.228 -8.136 6.221 1.00 60.34 N ATOM 1410 CA THR A 93 5.722 -9.181 7.124 1.00 32.22 C ATOM 1411 C THR A 93 4.289 -8.873 7.580 1.00 0.10 C ATOM 1412 O THR A 93 3.458 -9.770 7.750 1.00 55.31 O ATOM 1413 CB THR A 93 6.702 -9.423 8.297 1.00 53.05 C ATOM 1414 OG1 THR A 93 6.252 -10.410 9.201 1.00 20.23 O ATOM 1415 CG2 THR A 93 7.043 -8.163 9.087 1.00 32.40 C ATOM 0 H THR A 93 6.921 -7.520 6.646 1.00 60.34 H new ATOM 0 HA THR A 93 5.668 -10.121 6.575 1.00 32.22 H new ATOM 0 HB THR A 93 7.606 -9.775 7.800 1.00 53.05 H new ATOM 0 HG1 THR A 93 6.910 -10.521 9.918 1.00 20.23 H new ATOM 0 HG21 THR A 93 7.734 -8.414 9.892 1.00 32.40 H new ATOM 0 HG22 THR A 93 7.507 -7.433 8.424 1.00 32.40 H new ATOM 0 HG23 THR A 93 6.131 -7.741 9.510 1.00 32.40 H new ATOM 1423 N ARG A 94 3.962 -7.595 7.773 1.00 23.51 N ATOM 1424 CA ARG A 94 2.688 -7.209 8.348 1.00 4.11 C ATOM 1425 C ARG A 94 1.555 -7.384 7.345 1.00 43.24 C ATOM 1426 O ARG A 94 0.402 -7.465 7.752 1.00 55.22 O ATOM 1427 CB ARG A 94 2.808 -5.783 8.857 1.00 55.23 C ATOM 1428 CG ARG A 94 3.585 -5.738 10.183 1.00 71.54 C ATOM 1429 CD ARG A 94 2.699 -5.171 11.301 1.00 42.41 C ATOM 1430 NE ARG A 94 2.501 -6.134 12.404 1.00 71.35 N ATOM 1431 CZ ARG A 94 1.855 -5.852 13.541 1.00 14.24 C ATOM 1432 NH1 ARG A 94 1.531 -4.599 13.845 1.00 11.32 N ATOM 1433 NH2 ARG A 94 1.519 -6.830 14.370 1.00 20.33 N ATOM 0 H ARG A 94 4.570 -6.811 7.536 1.00 23.51 H new ATOM 0 HA ARG A 94 2.439 -7.859 9.187 1.00 4.11 H new ATOM 0 HB2 ARG A 94 3.315 -5.168 8.113 1.00 55.23 H new ATOM 0 HB3 ARG A 94 1.814 -5.358 8.998 1.00 55.23 H new ATOM 0 HG2 ARG A 94 3.921 -6.740 10.449 1.00 71.54 H new ATOM 0 HG3 ARG A 94 4.477 -5.122 10.069 1.00 71.54 H new ATOM 0 HD2 ARG A 94 3.152 -4.261 11.694 1.00 42.41 H new ATOM 0 HD3 ARG A 94 1.730 -4.892 10.887 1.00 42.41 H new ATOM 0 HE ARG A 94 2.881 -7.074 12.291 1.00 71.35 H new ATOM 0 HH11 ARG A 94 1.775 -3.840 13.208 1.00 11.32 H new ATOM 0 HH12 ARG A 94 1.038 -4.396 14.715 1.00 11.32 H new ATOM 0 HH21 ARG A 94 1.753 -7.796 14.141 1.00 20.33 H new ATOM 0 HH22 ARG A 94 1.026 -6.617 15.237 1.00 20.33 H new ATOM 1447 N LYS A 95 1.840 -7.458 6.037 1.00 14.44 N ATOM 1448 CA LYS A 95 0.795 -7.417 5.019 1.00 32.31 C ATOM 1449 C LYS A 95 -0.386 -8.352 5.303 1.00 33.32 C ATOM 1450 O LYS A 95 -1.528 -7.908 5.222 1.00 15.13 O ATOM 1451 CB LYS A 95 1.372 -7.656 3.621 1.00 41.21 C ATOM 1452 CG LYS A 95 0.315 -7.953 2.553 1.00 0.23 C ATOM 1453 CD LYS A 95 0.988 -8.333 1.240 1.00 23.50 C ATOM 1454 CE LYS A 95 0.205 -9.357 0.420 1.00 72.34 C ATOM 1455 NZ LYS A 95 -1.252 -9.116 0.409 1.00 13.21 N ATOM 0 H LYS A 95 2.786 -7.546 5.665 1.00 14.44 H new ATOM 0 HA LYS A 95 0.385 -6.408 5.057 1.00 32.31 H new ATOM 0 HB2 LYS A 95 1.942 -6.777 3.319 1.00 41.21 H new ATOM 0 HB3 LYS A 95 2.073 -8.490 3.666 1.00 41.21 H new ATOM 0 HG2 LYS A 95 -0.332 -8.764 2.887 1.00 0.23 H new ATOM 0 HG3 LYS A 95 -0.319 -7.079 2.406 1.00 0.23 H new ATOM 0 HD2 LYS A 95 1.129 -7.433 0.641 1.00 23.50 H new ATOM 0 HD3 LYS A 95 1.979 -8.733 1.453 1.00 23.50 H new ATOM 0 HE2 LYS A 95 0.574 -9.348 -0.606 1.00 72.34 H new ATOM 0 HE3 LYS A 95 0.397 -10.353 0.819 1.00 72.34 H new ATOM 0 HZ1 LYS A 95 -1.686 -9.647 -0.373 1.00 13.21 H new ATOM 0 HZ2 LYS A 95 -1.663 -9.430 1.311 1.00 13.21 H new ATOM 0 HZ3 LYS A 95 -1.435 -8.100 0.281 1.00 13.21 H new ATOM 1469 N ASP A 96 -0.115 -9.643 5.525 1.00 33.34 N ATOM 1470 CA ASP A 96 -1.123 -10.709 5.534 1.00 43.34 C ATOM 1471 C ASP A 96 -2.196 -10.405 6.566 1.00 11.13 C ATOM 1472 O ASP A 96 -3.331 -10.845 6.405 1.00 15.42 O ATOM 1473 CB ASP A 96 -0.485 -12.090 5.782 1.00 51.43 C ATOM 1474 CG ASP A 96 -0.589 -13.050 4.605 1.00 12.21 C ATOM 1475 OD1 ASP A 96 -1.643 -13.697 4.452 1.00 41.15 O ATOM 1476 OD2 ASP A 96 0.427 -13.233 3.892 1.00 64.22 O ATOM 0 H ASP A 96 0.829 -9.983 5.707 1.00 33.34 H new ATOM 0 HA ASP A 96 -1.589 -10.745 4.549 1.00 43.34 H new ATOM 0 HB2 ASP A 96 0.567 -11.951 6.031 1.00 51.43 H new ATOM 0 HB3 ASP A 96 -0.960 -12.546 6.650 1.00 51.43 H new ATOM 1481 N GLN A 97 -1.807 -9.669 7.607 1.00 32.40 N ATOM 1482 CA GLN A 97 -2.607 -9.197 8.708 1.00 2.31 C ATOM 1483 C GLN A 97 -3.180 -7.828 8.354 1.00 0.21 C ATOM 1484 O GLN A 97 -4.395 -7.701 8.408 1.00 54.13 O ATOM 1485 CB GLN A 97 -1.667 -9.124 9.924 1.00 74.33 C ATOM 1486 CG GLN A 97 -2.264 -8.333 11.098 1.00 4.42 C ATOM 1487 CD GLN A 97 -3.513 -8.971 11.693 1.00 41.35 C ATOM 1488 OE1 GLN A 97 -3.416 -9.818 12.583 1.00 42.33 O ATOM 1489 NE2 GLN A 97 -4.684 -8.632 11.176 1.00 11.23 N ATOM 0 H GLN A 97 -0.837 -9.368 7.697 1.00 32.40 H new ATOM 0 HA GLN A 97 -3.449 -9.854 8.927 1.00 2.31 H new ATOM 0 HB2 GLN A 97 -1.433 -10.135 10.256 1.00 74.33 H new ATOM 0 HB3 GLN A 97 -0.727 -8.662 9.622 1.00 74.33 H new ATOM 0 HG2 GLN A 97 -1.510 -8.234 11.879 1.00 4.42 H new ATOM 0 HG3 GLN A 97 -2.507 -7.326 10.760 1.00 4.42 H new ATOM 0 HE21 GLN A 97 -4.732 -7.927 10.440 1.00 11.23 H new ATOM 0 HE22 GLN A 97 -5.538 -9.076 11.514 1.00 11.23 H new ATOM 1498 N LEU A 98 -2.374 -6.815 7.991 1.00 72.33 N ATOM 1499 CA LEU A 98 -2.843 -5.446 7.671 1.00 52.04 C ATOM 1500 C LEU A 98 -3.964 -5.441 6.635 1.00 64.32 C ATOM 1501 O LEU A 98 -4.973 -4.751 6.769 1.00 52.32 O ATOM 1502 CB LEU A 98 -1.680 -4.616 7.102 1.00 1.41 C ATOM 1503 CG LEU A 98 -1.085 -3.560 8.047 1.00 35.13 C ATOM 1504 CD1 LEU A 98 -0.841 -4.065 9.462 1.00 75.45 C ATOM 1505 CD2 LEU A 98 0.271 -3.113 7.511 1.00 71.11 C ATOM 0 H LEU A 98 -1.363 -6.921 7.909 1.00 72.33 H new ATOM 0 HA LEU A 98 -3.221 -5.021 8.601 1.00 52.04 H new ATOM 0 HB2 LEU A 98 -0.884 -5.298 6.803 1.00 1.41 H new ATOM 0 HB3 LEU A 98 -2.025 -4.114 6.198 1.00 1.41 H new ATOM 0 HG LEU A 98 -1.819 -2.755 8.088 1.00 35.13 H new ATOM 0 HD11 LEU A 98 -0.421 -3.262 10.067 1.00 75.45 H new ATOM 0 HD12 LEU A 98 -1.784 -4.393 9.899 1.00 75.45 H new ATOM 0 HD13 LEU A 98 -0.143 -4.902 9.434 1.00 75.45 H new ATOM 0 HD21 LEU A 98 0.697 -2.364 8.178 1.00 71.11 H new ATOM 0 HD22 LEU A 98 0.941 -3.971 7.454 1.00 71.11 H new ATOM 0 HD23 LEU A 98 0.146 -2.684 6.517 1.00 71.11 H new ATOM 1517 N TRP A 99 -3.757 -6.238 5.590 1.00 12.43 N ATOM 1518 CA TRP A 99 -4.733 -6.481 4.563 1.00 53.12 C ATOM 1519 C TRP A 99 -6.058 -6.873 5.201 1.00 74.23 C ATOM 1520 O TRP A 99 -7.033 -6.155 5.033 1.00 15.13 O ATOM 1521 CB TRP A 99 -4.213 -7.501 3.535 1.00 72.44 C ATOM 1522 CG TRP A 99 -5.033 -7.596 2.285 1.00 44.11 C ATOM 1523 CD1 TRP A 99 -5.614 -8.719 1.805 1.00 44.13 C ATOM 1524 CD2 TRP A 99 -5.437 -6.517 1.390 1.00 51.21 C ATOM 1525 NE1 TRP A 99 -6.353 -8.426 0.678 1.00 0.11 N ATOM 1526 CE2 TRP A 99 -6.310 -7.078 0.412 1.00 73.31 C ATOM 1527 CE3 TRP A 99 -5.210 -5.118 1.336 1.00 40.11 C ATOM 1528 CZ2 TRP A 99 -6.977 -6.298 -0.525 1.00 61.13 C ATOM 1529 CZ3 TRP A 99 -5.840 -4.328 0.352 1.00 24.41 C ATOM 1530 CH2 TRP A 99 -6.742 -4.917 -0.550 1.00 55.31 C ATOM 0 H TRP A 99 -2.881 -6.739 5.442 1.00 12.43 H new ATOM 0 HA TRP A 99 -4.911 -5.567 3.997 1.00 53.12 H new ATOM 0 HB2 TRP A 99 -3.191 -7.236 3.265 1.00 72.44 H new ATOM 0 HB3 TRP A 99 -4.174 -8.484 4.005 1.00 72.44 H new ATOM 0 HD1 TRP A 99 -5.514 -9.702 2.241 1.00 44.13 H new ATOM 0 HE1 TRP A 99 -6.860 -9.113 0.120 1.00 0.11 H new ATOM 0 HE3 TRP A 99 -4.550 -4.654 2.054 1.00 40.11 H new ATOM 0 HZ2 TRP A 99 -7.666 -6.750 -1.223 1.00 61.13 H new ATOM 0 HZ3 TRP A 99 -5.629 -3.270 0.292 1.00 24.41 H new ATOM 0 HH2 TRP A 99 -7.259 -4.299 -1.269 1.00 55.31 H new ATOM 1541 N ALA A 100 -6.092 -7.957 5.970 1.00 44.11 N ATOM 1542 CA ALA A 100 -7.266 -8.436 6.674 1.00 52.45 C ATOM 1543 C ALA A 100 -7.847 -7.416 7.671 1.00 20.23 C ATOM 1544 O ALA A 100 -9.040 -7.505 7.960 1.00 41.41 O ATOM 1545 CB ALA A 100 -6.874 -9.755 7.353 1.00 73.01 C ATOM 0 H ALA A 100 -5.271 -8.543 6.122 1.00 44.11 H new ATOM 0 HA ALA A 100 -8.076 -8.593 5.962 1.00 52.45 H new ATOM 0 HB1 ALA A 100 -7.731 -10.153 7.897 1.00 73.01 H new ATOM 0 HB2 ALA A 100 -6.558 -10.474 6.597 1.00 73.01 H new ATOM 0 HB3 ALA A 100 -6.054 -9.577 8.049 1.00 73.01 H new ATOM 1551 N ASP A 101 -7.076 -6.450 8.183 1.00 74.04 N ATOM 1552 CA ASP A 101 -7.651 -5.356 8.971 1.00 61.21 C ATOM 1553 C ASP A 101 -8.340 -4.358 8.030 1.00 23.02 C ATOM 1554 O ASP A 101 -9.499 -4.010 8.231 1.00 51.45 O ATOM 1555 CB ASP A 101 -6.562 -4.687 9.825 1.00 34.40 C ATOM 1556 CG ASP A 101 -7.117 -3.813 10.961 1.00 71.14 C ATOM 1557 OD1 ASP A 101 -7.623 -2.704 10.680 1.00 75.32 O ATOM 1558 OD2 ASP A 101 -6.977 -4.222 12.140 1.00 35.33 O ATOM 0 H ASP A 101 -6.064 -6.404 8.067 1.00 74.04 H new ATOM 0 HA ASP A 101 -8.403 -5.747 9.657 1.00 61.21 H new ATOM 0 HB2 ASP A 101 -5.922 -5.459 10.252 1.00 34.40 H new ATOM 0 HB3 ASP A 101 -5.933 -4.073 9.180 1.00 34.40 H new ATOM 1563 N TYR A 102 -7.686 -3.992 6.921 1.00 15.54 N ATOM 1564 CA TYR A 102 -8.206 -3.105 5.883 1.00 11.52 C ATOM 1565 C TYR A 102 -9.525 -3.587 5.279 1.00 63.35 C ATOM 1566 O TYR A 102 -10.338 -2.766 4.839 1.00 53.14 O ATOM 1567 CB TYR A 102 -7.165 -2.942 4.757 1.00 71.41 C ATOM 1568 CG TYR A 102 -6.597 -1.546 4.666 1.00 72.44 C ATOM 1569 CD1 TYR A 102 -7.455 -0.472 4.367 1.00 12.30 C ATOM 1570 CD2 TYR A 102 -5.238 -1.314 4.946 1.00 41.55 C ATOM 1571 CE1 TYR A 102 -6.970 0.844 4.431 1.00 22.14 C ATOM 1572 CE2 TYR A 102 -4.751 0.005 5.009 1.00 62.04 C ATOM 1573 CZ TYR A 102 -5.629 1.090 4.806 1.00 73.25 C ATOM 1574 OH TYR A 102 -5.208 2.362 5.038 1.00 52.43 O ATOM 0 H TYR A 102 -6.742 -4.321 6.718 1.00 15.54 H new ATOM 0 HA TYR A 102 -8.403 -2.149 6.368 1.00 11.52 H new ATOM 0 HB2 TYR A 102 -6.351 -3.648 4.920 1.00 71.41 H new ATOM 0 HB3 TYR A 102 -7.627 -3.202 3.804 1.00 71.41 H new ATOM 0 HD1 TYR A 102 -8.482 -0.659 4.090 1.00 12.30 H new ATOM 0 HD2 TYR A 102 -4.570 -2.146 5.112 1.00 41.55 H new ATOM 0 HE1 TYR A 102 -7.623 1.671 4.193 1.00 22.14 H new ATOM 0 HE2 TYR A 102 -3.706 0.186 5.213 1.00 62.04 H new ATOM 0 HH TYR A 102 -4.520 2.603 4.384 1.00 52.43 H new ATOM 1584 N LEU A 103 -9.741 -4.901 5.172 1.00 33.42 N ATOM 1585 CA LEU A 103 -11.008 -5.430 4.696 1.00 71.31 C ATOM 1586 C LEU A 103 -12.149 -5.041 5.622 1.00 64.41 C ATOM 1587 O LEU A 103 -13.258 -4.894 5.110 1.00 21.32 O ATOM 1588 CB LEU A 103 -10.993 -6.957 4.550 1.00 42.25 C ATOM 1589 CG LEU A 103 -10.444 -7.529 3.223 1.00 61.44 C ATOM 1590 CD1 LEU A 103 -11.156 -6.980 1.984 1.00 52.41 C ATOM 1591 CD2 LEU A 103 -8.942 -7.349 3.011 1.00 54.52 C ATOM 0 H LEU A 103 -9.050 -5.613 5.410 1.00 33.42 H new ATOM 0 HA LEU A 103 -11.161 -4.990 3.710 1.00 71.31 H new ATOM 0 HB2 LEU A 103 -10.402 -7.370 5.367 1.00 42.25 H new ATOM 0 HB3 LEU A 103 -12.013 -7.320 4.679 1.00 42.25 H new ATOM 0 HG LEU A 103 -10.649 -8.594 3.336 1.00 61.44 H new ATOM 0 HD11 LEU A 103 -10.721 -7.423 1.088 1.00 52.41 H new ATOM 0 HD12 LEU A 103 -12.216 -7.228 2.034 1.00 52.41 H new ATOM 0 HD13 LEU A 103 -11.039 -5.897 1.947 1.00 52.41 H new ATOM 0 HD21 LEU A 103 -8.655 -7.783 2.053 1.00 54.52 H new ATOM 0 HD22 LEU A 103 -8.699 -6.287 3.015 1.00 54.52 H new ATOM 0 HD23 LEU A 103 -8.399 -7.849 3.813 1.00 54.52 H new ATOM 1603 N ALA A 104 -11.910 -4.908 6.930 1.00 54.24 N ATOM 1604 CA ALA A 104 -12.945 -4.536 7.886 1.00 33.43 C ATOM 1605 C ALA A 104 -13.328 -3.062 7.749 1.00 1.41 C ATOM 1606 O ALA A 104 -14.507 -2.752 7.634 1.00 51.11 O ATOM 1607 CB ALA A 104 -12.498 -4.852 9.311 1.00 60.24 C ATOM 0 H ALA A 104 -10.993 -5.056 7.351 1.00 54.24 H new ATOM 0 HA ALA A 104 -13.833 -5.128 7.664 1.00 33.43 H new ATOM 0 HB1 ALA A 104 -13.284 -4.567 10.010 1.00 60.24 H new ATOM 0 HB2 ALA A 104 -12.301 -5.920 9.402 1.00 60.24 H new ATOM 0 HB3 ALA A 104 -11.590 -4.295 9.539 1.00 60.24 H new ATOM 1613 N GLU A 105 -12.363 -2.148 7.680 1.00 4.42 N ATOM 1614 CA GLU A 105 -12.616 -0.722 7.449 1.00 45.21 C ATOM 1615 C GLU A 105 -13.455 -0.517 6.179 1.00 73.25 C ATOM 1616 O GLU A 105 -14.507 0.131 6.171 1.00 33.01 O ATOM 1617 CB GLU A 105 -11.254 -0.017 7.343 1.00 64.02 C ATOM 1618 CG GLU A 105 -10.827 0.644 8.659 1.00 24.22 C ATOM 1619 CD GLU A 105 -11.043 2.160 8.653 1.00 30.31 C ATOM 1620 OE1 GLU A 105 -12.203 2.620 8.599 1.00 63.04 O ATOM 1621 OE2 GLU A 105 -10.036 2.903 8.763 1.00 51.32 O ATOM 0 H GLU A 105 -11.374 -2.375 7.783 1.00 4.42 H new ATOM 0 HA GLU A 105 -13.188 -0.297 8.274 1.00 45.21 H new ATOM 0 HB2 GLU A 105 -10.497 -0.741 7.042 1.00 64.02 H new ATOM 0 HB3 GLU A 105 -11.301 0.739 6.559 1.00 64.02 H new ATOM 0 HG2 GLU A 105 -11.390 0.204 9.482 1.00 24.22 H new ATOM 0 HG3 GLU A 105 -9.774 0.431 8.843 1.00 24.22 H new ATOM 1628 N LEU A 106 -13.018 -1.121 5.075 1.00 62.15 N ATOM 1629 CA LEU A 106 -13.707 -1.046 3.793 1.00 54.55 C ATOM 1630 C LEU A 106 -15.012 -1.859 3.796 1.00 5.33 C ATOM 1631 O LEU A 106 -15.831 -1.684 2.899 1.00 44.21 O ATOM 1632 CB LEU A 106 -12.753 -1.593 2.710 1.00 34.13 C ATOM 1633 CG LEU A 106 -12.663 -0.900 1.335 1.00 54.23 C ATOM 1634 CD1 LEU A 106 -13.897 -0.096 0.962 1.00 63.14 C ATOM 1635 CD2 LEU A 106 -11.428 0.005 1.285 1.00 21.21 C ATOM 0 H LEU A 106 -12.166 -1.682 5.048 1.00 62.15 H new ATOM 0 HA LEU A 106 -13.976 -0.009 3.593 1.00 54.55 H new ATOM 0 HB2 LEU A 106 -11.750 -1.598 3.136 1.00 34.13 H new ATOM 0 HB3 LEU A 106 -13.029 -2.632 2.531 1.00 34.13 H new ATOM 0 HG LEU A 106 -12.586 -1.702 0.601 1.00 54.23 H new ATOM 0 HD11 LEU A 106 -13.753 0.359 -0.018 1.00 63.14 H new ATOM 0 HD12 LEU A 106 -14.765 -0.755 0.932 1.00 63.14 H new ATOM 0 HD13 LEU A 106 -14.060 0.686 1.704 1.00 63.14 H new ATOM 0 HD21 LEU A 106 -11.372 0.491 0.311 1.00 21.21 H new ATOM 0 HD22 LEU A 106 -11.501 0.763 2.065 1.00 21.21 H new ATOM 0 HD23 LEU A 106 -10.531 -0.594 1.444 1.00 21.21 H new ATOM 1647 N ALA A 107 -15.254 -2.701 4.798 1.00 12.22 N ATOM 1648 CA ALA A 107 -16.571 -3.251 5.065 1.00 74.15 C ATOM 1649 C ALA A 107 -17.418 -2.136 5.694 1.00 51.32 C ATOM 1650 O ALA A 107 -18.353 -1.615 5.086 1.00 14.14 O ATOM 1651 CB ALA A 107 -16.445 -4.529 5.929 1.00 31.31 C ATOM 0 H ALA A 107 -14.535 -3.019 5.448 1.00 12.22 H new ATOM 0 HA ALA A 107 -17.077 -3.575 4.156 1.00 74.15 H new ATOM 0 HB1 ALA A 107 -17.437 -4.935 6.125 1.00 31.31 H new ATOM 0 HB2 ALA A 107 -15.848 -5.270 5.398 1.00 31.31 H new ATOM 0 HB3 ALA A 107 -15.961 -4.283 6.874 1.00 31.31 H new ATOM 1657 N SER A 108 -17.074 -1.743 6.914 1.00 1.53 N ATOM 1658 CA SER A 108 -17.975 -1.078 7.836 1.00 41.12 C ATOM 1659 C SER A 108 -18.153 0.417 7.563 1.00 32.04 C ATOM 1660 O SER A 108 -19.223 0.952 7.857 1.00 10.22 O ATOM 1661 CB SER A 108 -17.447 -1.343 9.249 1.00 11.34 C ATOM 1662 OG SER A 108 -17.080 -2.699 9.399 1.00 35.03 O ATOM 0 H SER A 108 -16.138 -1.883 7.295 1.00 1.53 H new ATOM 0 HA SER A 108 -18.978 -1.486 7.708 1.00 41.12 H new ATOM 0 HB2 SER A 108 -16.586 -0.704 9.447 1.00 11.34 H new ATOM 0 HB3 SER A 108 -18.211 -1.085 9.982 1.00 11.34 H new ATOM 0 HG SER A 108 -16.187 -2.840 9.021 1.00 35.03 H new ATOM 1668 N ALA A 109 -17.163 1.104 6.983 1.00 12.43 N ATOM 1669 CA ALA A 109 -17.295 2.510 6.591 1.00 24.20 C ATOM 1670 C ALA A 109 -18.319 2.725 5.458 1.00 44.15 C ATOM 1671 O ALA A 109 -18.640 3.871 5.129 1.00 41.15 O ATOM 1672 CB ALA A 109 -15.916 3.095 6.248 1.00 3.20 C ATOM 0 H ALA A 109 -16.250 0.701 6.773 1.00 12.43 H new ATOM 0 HA ALA A 109 -17.696 3.054 7.446 1.00 24.20 H new ATOM 0 HB1 ALA A 109 -16.026 4.140 5.958 1.00 3.20 H new ATOM 0 HB2 ALA A 109 -15.265 3.027 7.119 1.00 3.20 H new ATOM 0 HB3 ALA A 109 -15.478 2.534 5.423 1.00 3.20 H new ATOM 1678 N GLY A 110 -18.862 1.657 4.866 1.00 72.42 N ATOM 1679 CA GLY A 110 -19.853 1.738 3.808 1.00 23.34 C ATOM 1680 C GLY A 110 -19.289 2.290 2.499 1.00 51.31 C ATOM 1681 O GLY A 110 -20.087 2.618 1.620 1.00 50.11 O ATOM 0 H GLY A 110 -18.616 0.700 5.118 1.00 72.42 H new ATOM 0 HA2 GLY A 110 -20.266 0.745 3.629 1.00 23.34 H new ATOM 0 HA3 GLY A 110 -20.677 2.371 4.138 1.00 23.34 H new ATOM 1685 N LYS A 111 -17.962 2.428 2.345 1.00 43.41 N ATOM 1686 CA LYS A 111 -17.364 2.581 1.022 1.00 64.42 C ATOM 1687 C LYS A 111 -17.326 1.185 0.398 1.00 54.23 C ATOM 1688 O LYS A 111 -17.738 0.194 1.018 1.00 54.44 O ATOM 1689 CB LYS A 111 -15.941 3.183 1.091 1.00 30.43 C ATOM 1690 CG LYS A 111 -15.732 4.357 2.059 1.00 61.43 C ATOM 1691 CD LYS A 111 -16.610 5.554 1.700 1.00 72.03 C ATOM 1692 CE LYS A 111 -16.347 6.716 2.662 1.00 50.43 C ATOM 1693 NZ LYS A 111 -15.250 7.589 2.207 1.00 61.23 N ATOM 0 H LYS A 111 -17.294 2.436 3.116 1.00 43.41 H new ATOM 0 HA LYS A 111 -17.955 3.274 0.423 1.00 64.42 H new ATOM 0 HB2 LYS A 111 -15.249 2.388 1.367 1.00 30.43 H new ATOM 0 HB3 LYS A 111 -15.663 3.514 0.090 1.00 30.43 H new ATOM 0 HG2 LYS A 111 -15.957 4.034 3.075 1.00 61.43 H new ATOM 0 HG3 LYS A 111 -14.684 4.658 2.044 1.00 61.43 H new ATOM 0 HD2 LYS A 111 -16.407 5.868 0.676 1.00 72.03 H new ATOM 0 HD3 LYS A 111 -17.661 5.268 1.743 1.00 72.03 H new ATOM 0 HE2 LYS A 111 -17.256 7.307 2.770 1.00 50.43 H new ATOM 0 HE3 LYS A 111 -16.106 6.319 3.648 1.00 50.43 H new ATOM 0 HZ1 LYS A 111 -15.112 8.359 2.892 1.00 61.23 H new ATOM 0 HZ2 LYS A 111 -14.374 7.034 2.129 1.00 61.23 H new ATOM 0 HZ3 LYS A 111 -15.489 7.991 1.278 1.00 61.23 H new ATOM 1707 N SER A 112 -16.769 1.087 -0.802 1.00 25.43 N ATOM 1708 CA SER A 112 -16.465 -0.183 -1.436 1.00 71.24 C ATOM 1709 C SER A 112 -15.172 -0.070 -2.236 1.00 34.02 C ATOM 1710 O SER A 112 -14.640 1.010 -2.463 1.00 65.32 O ATOM 1711 CB SER A 112 -17.633 -0.579 -2.328 1.00 74.12 C ATOM 1712 OG SER A 112 -18.833 -0.805 -1.602 1.00 61.23 O ATOM 0 H SER A 112 -16.514 1.898 -1.366 1.00 25.43 H new ATOM 0 HA SER A 112 -16.321 -0.955 -0.680 1.00 71.24 H new ATOM 0 HB2 SER A 112 -17.803 0.206 -3.065 1.00 74.12 H new ATOM 0 HB3 SER A 112 -17.372 -1.483 -2.879 1.00 74.12 H new ATOM 0 HG SER A 112 -19.445 -1.347 -2.142 1.00 61.23 H new ATOM 1718 N ARG A 113 -14.624 -1.211 -2.644 1.00 62.14 N ATOM 1719 CA ARG A 113 -13.454 -1.264 -3.511 1.00 5.34 C ATOM 1720 C ARG A 113 -13.758 -0.940 -4.968 1.00 24.12 C ATOM 1721 O ARG A 113 -12.820 -0.900 -5.768 1.00 12.21 O ATOM 1722 CB ARG A 113 -12.882 -2.670 -3.492 1.00 53.45 C ATOM 1723 CG ARG A 113 -12.453 -3.204 -2.127 1.00 70.44 C ATOM 1724 CD ARG A 113 -11.609 -4.445 -2.430 1.00 63.02 C ATOM 1725 NE ARG A 113 -11.878 -5.611 -1.620 1.00 35.20 N ATOM 1726 CZ ARG A 113 -12.861 -6.477 -1.874 1.00 41.55 C ATOM 1727 NH1 ARG A 113 -14.009 -6.101 -2.446 1.00 24.33 N ATOM 1728 NH2 ARG A 113 -12.687 -7.752 -1.584 1.00 15.10 N ATOM 0 H ARG A 113 -14.982 -2.129 -2.380 1.00 62.14 H new ATOM 0 HA ARG A 113 -12.762 -0.515 -3.125 1.00 5.34 H new ATOM 0 HB2 ARG A 113 -13.627 -3.349 -3.907 1.00 53.45 H new ATOM 0 HB3 ARG A 113 -12.019 -2.698 -4.158 1.00 53.45 H new ATOM 0 HG2 ARG A 113 -11.877 -2.460 -1.576 1.00 70.44 H new ATOM 0 HG3 ARG A 113 -13.318 -3.456 -1.513 1.00 70.44 H new ATOM 0 HD2 ARG A 113 -11.756 -4.713 -3.476 1.00 63.02 H new ATOM 0 HD3 ARG A 113 -10.558 -4.182 -2.313 1.00 63.02 H new ATOM 0 HE ARG A 113 -11.283 -5.782 -0.809 1.00 35.20 H new ATOM 0 HH11 ARG A 113 -14.155 -5.125 -2.703 1.00 24.33 H new ATOM 0 HH12 ARG A 113 -14.739 -6.790 -2.626 1.00 24.33 H new ATOM 0 HH21 ARG A 113 -11.809 -8.066 -1.171 1.00 15.10 H new ATOM 0 HH22 ARG A 113 -13.431 -8.424 -1.773 1.00 15.10 H new ATOM 1742 N ASP A 114 -15.027 -0.830 -5.328 1.00 1.40 N ATOM 1743 CA ASP A 114 -15.417 -0.368 -6.649 1.00 51.42 C ATOM 1744 C ASP A 114 -15.223 1.152 -6.665 1.00 44.53 C ATOM 1745 O ASP A 114 -15.481 1.802 -5.644 1.00 30.40 O ATOM 1746 CB ASP A 114 -16.881 -0.722 -6.914 1.00 33.30 C ATOM 1747 CG ASP A 114 -17.152 -1.838 -7.918 1.00 22.04 C ATOM 1748 OD1 ASP A 114 -16.335 -2.058 -8.835 1.00 45.33 O ATOM 1749 OD2 ASP A 114 -18.234 -2.470 -7.826 1.00 11.11 O ATOM 0 H ASP A 114 -15.811 -1.057 -4.716 1.00 1.40 H new ATOM 0 HA ASP A 114 -14.816 -0.841 -7.425 1.00 51.42 H new ATOM 0 HB2 ASP A 114 -17.339 -1.001 -5.965 1.00 33.30 H new ATOM 0 HB3 ASP A 114 -17.390 0.177 -7.261 1.00 33.30 H new ATOM 1754 N PRO A 115 -14.810 1.727 -7.802 1.00 14.30 N ATOM 1755 CA PRO A 115 -14.393 3.118 -7.906 1.00 51.51 C ATOM 1756 C PRO A 115 -15.574 4.080 -7.835 1.00 33.24 C ATOM 1757 O PRO A 115 -15.418 5.218 -7.394 1.00 45.52 O ATOM 1758 CB PRO A 115 -13.664 3.202 -9.250 1.00 41.25 C ATOM 1759 CG PRO A 115 -14.336 2.125 -10.099 1.00 23.31 C ATOM 1760 CD PRO A 115 -14.684 1.052 -9.078 1.00 61.31 C ATOM 0 HA PRO A 115 -13.753 3.413 -7.075 1.00 51.51 H new ATOM 0 HB2 PRO A 115 -13.769 4.189 -9.700 1.00 41.25 H new ATOM 0 HB3 PRO A 115 -12.596 3.014 -9.138 1.00 41.25 H new ATOM 0 HG2 PRO A 115 -15.224 2.505 -10.604 1.00 23.31 H new ATOM 0 HG3 PRO A 115 -13.668 1.745 -10.872 1.00 23.31 H new ATOM 0 HD2 PRO A 115 -15.613 0.549 -9.345 1.00 61.31 H new ATOM 0 HD3 PRO A 115 -13.908 0.288 -9.038 1.00 61.31 H new ATOM 1768 N ASP A 116 -16.762 3.627 -8.228 1.00 30.22 N ATOM 1769 CA ASP A 116 -17.983 4.411 -8.193 1.00 25.23 C ATOM 1770 C ASP A 116 -19.118 3.482 -7.781 1.00 41.15 C ATOM 1771 O ASP A 116 -20.083 3.263 -8.514 1.00 44.43 O ATOM 1772 CB ASP A 116 -18.193 5.102 -9.542 1.00 45.24 C ATOM 1773 CG ASP A 116 -19.426 6.006 -9.515 1.00 70.14 C ATOM 1774 OD1 ASP A 116 -19.688 6.649 -8.471 1.00 10.12 O ATOM 1775 OD2 ASP A 116 -20.127 6.080 -10.548 1.00 62.43 O ATOM 0 H ASP A 116 -16.900 2.682 -8.587 1.00 30.22 H new ATOM 0 HA ASP A 116 -17.936 5.217 -7.460 1.00 25.23 H new ATOM 0 HB2 ASP A 116 -17.312 5.692 -9.792 1.00 45.24 H new ATOM 0 HB3 ASP A 116 -18.306 4.351 -10.324 1.00 45.24 H new ATOM 1780 N GLU A 117 -18.930 2.804 -6.648 1.00 25.33 N ATOM 1781 CA GLU A 117 -19.871 1.813 -6.158 1.00 14.53 C ATOM 1782 C GLU A 117 -21.156 2.515 -5.757 1.00 30.21 C ATOM 1783 O GLU A 117 -21.143 3.367 -4.868 1.00 33.13 O ATOM 1784 CB GLU A 117 -19.267 1.024 -4.995 1.00 32.14 C ATOM 1785 CG GLU A 117 -19.731 -0.435 -5.019 1.00 31.22 C ATOM 1786 CD GLU A 117 -21.048 -0.781 -4.334 1.00 41.31 C ATOM 1787 OE1 GLU A 117 -21.912 0.080 -4.076 1.00 50.55 O ATOM 1788 OE2 GLU A 117 -21.170 -1.993 -4.035 1.00 22.31 O ATOM 0 H GLU A 117 -18.116 2.932 -6.047 1.00 25.33 H new ATOM 0 HA GLU A 117 -20.096 1.093 -6.944 1.00 14.53 H new ATOM 0 HB2 GLU A 117 -18.179 1.064 -5.051 1.00 32.14 H new ATOM 0 HB3 GLU A 117 -19.555 1.485 -4.050 1.00 32.14 H new ATOM 0 HG2 GLU A 117 -19.806 -0.744 -6.062 1.00 31.22 H new ATOM 0 HG3 GLU A 117 -18.948 -1.041 -4.563 1.00 31.22 H new ATOM 1795 N SER A 118 -22.232 2.182 -6.455 1.00 61.45 N ATOM 1796 CA SER A 118 -23.443 2.975 -6.523 1.00 11.24 C ATOM 1797 C SER A 118 -24.685 2.184 -6.118 1.00 5.40 C ATOM 1798 O SER A 118 -25.809 2.548 -6.485 1.00 22.00 O ATOM 1799 CB SER A 118 -23.507 3.560 -7.936 1.00 3.33 C ATOM 1800 OG SER A 118 -22.440 4.470 -8.116 1.00 73.35 O ATOM 0 H SER A 118 -22.284 1.325 -7.006 1.00 61.45 H new ATOM 0 HA SER A 118 -23.420 3.787 -5.796 1.00 11.24 H new ATOM 0 HB2 SER A 118 -23.447 2.761 -8.675 1.00 3.33 H new ATOM 0 HB3 SER A 118 -24.460 4.065 -8.089 1.00 3.33 H new ATOM 0 HG SER A 118 -21.651 3.989 -8.442 1.00 73.35 H new ATOM 1806 N VAL A 119 -24.497 1.102 -5.364 1.00 63.15 N ATOM 1807 CA VAL A 119 -25.503 0.071 -5.165 1.00 63.01 C ATOM 1808 C VAL A 119 -25.901 0.068 -3.693 1.00 51.14 C ATOM 1809 O VAL A 119 -25.188 -0.449 -2.834 1.00 22.23 O ATOM 1810 CB VAL A 119 -24.979 -1.273 -5.708 1.00 32.11 C ATOM 1811 CG1 VAL A 119 -26.064 -2.356 -5.626 1.00 34.01 C ATOM 1812 CG2 VAL A 119 -24.525 -1.116 -7.169 1.00 11.21 C ATOM 0 H VAL A 119 -23.625 0.918 -4.868 1.00 63.15 H new ATOM 0 HA VAL A 119 -26.415 0.266 -5.729 1.00 63.01 H new ATOM 0 HB VAL A 119 -24.131 -1.576 -5.094 1.00 32.11 H new ATOM 0 HG11 VAL A 119 -25.671 -3.295 -6.015 1.00 34.01 H new ATOM 0 HG12 VAL A 119 -26.365 -2.491 -4.587 1.00 34.01 H new ATOM 0 HG13 VAL A 119 -26.927 -2.052 -6.218 1.00 34.01 H new ATOM 0 HG21 VAL A 119 -24.157 -2.072 -7.540 1.00 11.21 H new ATOM 0 HG22 VAL A 119 -25.368 -0.790 -7.779 1.00 11.21 H new ATOM 0 HG23 VAL A 119 -23.728 -0.374 -7.225 1.00 11.21 H new ATOM 1822 N VAL A 120 -27.036 0.699 -3.404 1.00 70.11 N ATOM 1823 CA VAL A 120 -27.676 0.720 -2.103 1.00 21.14 C ATOM 1824 C VAL A 120 -28.295 -0.654 -1.836 1.00 1.44 C ATOM 1825 O VAL A 120 -29.294 -1.034 -2.448 1.00 70.43 O ATOM 1826 CB VAL A 120 -28.704 1.870 -2.025 1.00 50.23 C ATOM 1827 CG1 VAL A 120 -27.981 3.191 -1.739 1.00 5.44 C ATOM 1828 CG2 VAL A 120 -29.573 2.071 -3.284 1.00 31.20 C ATOM 0 H VAL A 120 -27.553 1.231 -4.104 1.00 70.11 H new ATOM 0 HA VAL A 120 -26.944 0.915 -1.320 1.00 21.14 H new ATOM 0 HB VAL A 120 -29.381 1.578 -1.223 1.00 50.23 H new ATOM 0 HG11 VAL A 120 -28.709 4.000 -1.685 1.00 5.44 H new ATOM 0 HG12 VAL A 120 -27.450 3.117 -0.790 1.00 5.44 H new ATOM 0 HG13 VAL A 120 -27.269 3.397 -2.538 1.00 5.44 H new ATOM 0 HG21 VAL A 120 -30.260 2.902 -3.123 1.00 31.20 H new ATOM 0 HG22 VAL A 120 -28.932 2.290 -4.138 1.00 31.20 H new ATOM 0 HG23 VAL A 120 -30.143 1.163 -3.482 1.00 31.20 H new ATOM 1838 N LYS A 121 -27.689 -1.405 -0.917 1.00 45.34 N ATOM 1839 CA LYS A 121 -28.116 -2.746 -0.523 1.00 22.31 C ATOM 1840 C LYS A 121 -28.451 -2.786 0.968 1.00 5.24 C ATOM 1841 O LYS A 121 -27.871 -3.580 1.696 1.00 62.45 O ATOM 1842 CB LYS A 121 -27.089 -3.803 -1.003 1.00 41.44 C ATOM 1843 CG LYS A 121 -25.651 -3.679 -0.458 1.00 1.52 C ATOM 1844 CD LYS A 121 -25.212 -4.884 0.394 1.00 61.15 C ATOM 1845 CE LYS A 121 -23.738 -4.843 0.824 1.00 71.21 C ATOM 1846 NZ LYS A 121 -23.374 -3.648 1.613 1.00 42.22 N ATOM 0 H LYS A 121 -26.862 -1.087 -0.411 1.00 45.34 H new ATOM 0 HA LYS A 121 -29.047 -3.011 -1.024 1.00 22.31 H new ATOM 0 HB2 LYS A 121 -27.468 -4.790 -0.737 1.00 41.44 H new ATOM 0 HB3 LYS A 121 -27.044 -3.762 -2.091 1.00 41.44 H new ATOM 0 HG2 LYS A 121 -24.962 -3.565 -1.295 1.00 1.52 H new ATOM 0 HG3 LYS A 121 -25.575 -2.772 0.142 1.00 1.52 H new ATOM 0 HD2 LYS A 121 -25.838 -4.933 1.285 1.00 61.15 H new ATOM 0 HD3 LYS A 121 -25.389 -5.799 -0.171 1.00 61.15 H new ATOM 0 HE2 LYS A 121 -23.517 -5.734 1.411 1.00 71.21 H new ATOM 0 HE3 LYS A 121 -23.110 -4.883 -0.066 1.00 71.21 H new ATOM 0 HZ1 LYS A 121 -22.366 -3.692 1.865 1.00 42.22 H new ATOM 0 HZ2 LYS A 121 -23.553 -2.792 1.049 1.00 42.22 H new ATOM 0 HZ3 LYS A 121 -23.947 -3.617 2.480 1.00 42.22 H new ATOM 1860 N LEU A 122 -29.380 -1.936 1.421 1.00 52.35 N ATOM 1861 CA LEU A 122 -29.814 -1.763 2.816 1.00 51.23 C ATOM 1862 C LEU A 122 -28.608 -1.624 3.754 1.00 1.50 C ATOM 1863 O LEU A 122 -28.106 -2.595 4.321 1.00 20.30 O ATOM 1864 CB LEU A 122 -30.795 -2.864 3.276 1.00 72.04 C ATOM 1865 CG LEU A 122 -32.239 -2.738 2.743 1.00 21.32 C ATOM 1866 CD1 LEU A 122 -32.403 -3.296 1.322 1.00 31.31 C ATOM 1867 CD2 LEU A 122 -33.201 -3.502 3.663 1.00 43.33 C ATOM 0 H LEU A 122 -29.880 -1.312 0.787 1.00 52.35 H new ATOM 0 HA LEU A 122 -30.376 -0.831 2.865 1.00 51.23 H new ATOM 0 HB2 LEU A 122 -30.397 -3.831 2.969 1.00 72.04 H new ATOM 0 HB3 LEU A 122 -30.828 -2.864 4.366 1.00 72.04 H new ATOM 0 HG LEU A 122 -32.467 -1.672 2.721 1.00 21.32 H new ATOM 0 HD11 LEU A 122 -33.439 -3.179 1.003 1.00 31.31 H new ATOM 0 HD12 LEU A 122 -31.749 -2.752 0.640 1.00 31.31 H new ATOM 0 HD13 LEU A 122 -32.138 -4.353 1.313 1.00 31.31 H new ATOM 0 HD21 LEU A 122 -34.218 -3.410 3.283 1.00 43.33 H new ATOM 0 HD22 LEU A 122 -32.918 -4.554 3.692 1.00 43.33 H new ATOM 0 HD23 LEU A 122 -33.151 -3.085 4.669 1.00 43.33 H new ATOM 1879 N MET A 123 -28.088 -0.403 3.879 1.00 3.14 N ATOM 1880 CA MET A 123 -26.896 -0.142 4.688 1.00 25.30 C ATOM 1881 C MET A 123 -27.257 -0.079 6.184 1.00 63.42 C ATOM 1882 O MET A 123 -26.483 -0.499 7.047 1.00 53.34 O ATOM 1883 CB MET A 123 -26.233 1.141 4.165 1.00 24.43 C ATOM 1884 CG MET A 123 -24.723 1.178 4.431 1.00 51.35 C ATOM 1885 SD MET A 123 -24.226 1.755 6.074 1.00 74.23 S ATOM 1886 CE MET A 123 -24.290 3.532 5.756 1.00 1.40 C ATOM 0 H MET A 123 -28.476 0.426 3.428 1.00 3.14 H new ATOM 0 HA MET A 123 -26.177 -0.956 4.597 1.00 25.30 H new ATOM 0 HB2 MET A 123 -26.411 1.226 3.093 1.00 24.43 H new ATOM 0 HB3 MET A 123 -26.702 2.005 4.636 1.00 24.43 H new ATOM 0 HG2 MET A 123 -24.322 0.175 4.282 1.00 51.35 H new ATOM 0 HG3 MET A 123 -24.257 1.821 3.684 1.00 51.35 H new ATOM 0 HE1 MET A 123 -24.013 4.074 6.660 1.00 1.40 H new ATOM 0 HE2 MET A 123 -23.595 3.784 4.955 1.00 1.40 H new ATOM 0 HE3 MET A 123 -25.301 3.813 5.461 1.00 1.40 H new ATOM 1896 N LEU A 124 -28.466 0.395 6.469 1.00 1.40 N ATOM 1897 CA LEU A 124 -29.211 0.501 7.720 1.00 43.21 C ATOM 1898 C LEU A 124 -30.671 0.251 7.340 1.00 51.45 C ATOM 1899 O LEU A 124 -31.323 -0.563 8.008 1.00 11.52 O ATOM 1900 CB LEU A 124 -29.013 1.906 8.338 1.00 45.55 C ATOM 1901 CG LEU A 124 -28.159 1.885 9.616 1.00 11.44 C ATOM 1902 CD1 LEU A 124 -27.515 3.260 9.832 1.00 34.14 C ATOM 1903 CD2 LEU A 124 -29.009 1.515 10.838 1.00 63.35 C ATOM 0 H LEU A 124 -29.031 0.771 5.708 1.00 1.40 H new ATOM 0 HA LEU A 124 -28.874 -0.214 8.471 1.00 43.21 H new ATOM 0 HB2 LEU A 124 -28.540 2.557 7.603 1.00 45.55 H new ATOM 0 HB3 LEU A 124 -29.988 2.337 8.566 1.00 45.55 H new ATOM 0 HG LEU A 124 -27.381 1.131 9.496 1.00 11.44 H new ATOM 0 HD11 LEU A 124 -26.911 3.240 10.739 1.00 34.14 H new ATOM 0 HD12 LEU A 124 -26.881 3.503 8.979 1.00 34.14 H new ATOM 0 HD13 LEU A 124 -28.295 4.015 9.932 1.00 34.14 H new ATOM 0 HD21 LEU A 124 -28.381 1.507 11.729 1.00 63.35 H new ATOM 0 HD22 LEU A 124 -29.806 2.248 10.962 1.00 63.35 H new ATOM 0 HD23 LEU A 124 -29.445 0.526 10.692 1.00 63.35 H new TER 1915 LEU A 124