USER MOD reduce.3.24.130724 H: found=0, std=0, add=978, rem=0, adj=38 USER MOD reduce.3.24.130724 removed 976 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 110 THR OG1 : rot 180:sc= -0.537 USER MOD Set 1.2: A 112 GLN : amide:sc= -3.78! C(o=-4.3!,f=-5.8!) USER MOD Set 2.1: A 89 THR OG1 : rot -120:sc= 0.514 USER MOD Set 2.2: A 92 GLN : amide:sc= 0.79 K(o=1.3,f=0.049) USER MOD Set 3.1: A 44 ASN : amide:sc= -1.86! C(o=-2.7!,f=-3.6!) USER MOD Set 3.2: A 56 TYR OH : rot -30:sc= -0.835 USER MOD Single : A 1 GLY N :NH3+ -115:sc= 0.133 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 TYR OH : rot -127:sc= 0.0108 USER MOD Single : A 7 GLN :FLIP amide:sc= -0.0109 F(o=-0.94,f=-0.011) USER MOD Single : A 10 THR OG1 : rot -38:sc= 0.129 USER MOD Single : A 14 GLN :FLIP amide:sc= -1.09 F(o=-3.6!,f=-1.1) USER MOD Single : A 19 HIS :FLIP no HD1:sc= 0 F(o=-0.82,f=0) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 GLN :FLIP amide:sc= -2.25 F(o=-3.7!,f=-2.3) USER MOD Single : A 26 ASN : amide:sc= 1.06 K(o=1.1,f=-0.17) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 39 GLN :FLIP amide:sc= -3.67! C(o=-4.8!,f=-3.7!) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 43 GLN :FLIP amide:sc= -3.34! C(o=-4.3!,f=-3.3!) USER MOD Single : A 47 SER OG : rot 7:sc= -0.0728 USER MOD Single : A 50 LYS NZ :NH3+ -178:sc= 2.34 (180deg=2.18) USER MOD Single : A 51 THR OG1 : rot 180:sc= 0.0326 USER MOD Single : A 53 LYS NZ :NH3+ 177:sc= 1.02 (180deg=1.02) USER MOD Single : A 58 THR OG1 : rot 180:sc= 0.0124 USER MOD Single : A 61 SER OG : rot 150:sc= -0.07 USER MOD Single : A 72 GLN :FLIP amide:sc= -0.126 F(o=-0.95,f=-0.13) USER MOD Single : A 76 LYS NZ :NH3+ 178:sc= 1.71 (180deg=1.68) USER MOD Single : A 78 MET CE :methyl 153:sc= -1.83! (180deg=-2.63) USER MOD Single : A 79 GLN :FLIP amide:sc= -0.046 F(o=-5!,f=-0.046) USER MOD Single : A 81 ASN :FLIP amide:sc= -0.962 F(o=-2.3!,f=-0.96) USER MOD Single : A 85 MET CE :methyl -166:sc= -3.97! (180deg=-4.4!) USER MOD Single : A 86 THR OG1 : rot 87:sc= 0.0496 USER MOD Single : A 87 MET CE :methyl 162:sc= -0.114 (180deg=-0.567) USER MOD Single : A 90 HIS : no HD1:sc= -1.52 K(o=-1.5,f=-4.2!) USER MOD Single : A 95 LYS NZ :NH3+ 161:sc= 1.23 (180deg=1.03) USER MOD Single : A 98 THR OG1 : rot -42:sc= 0.572 USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 113 SER OG : rot -120:sc= -0.179 USER MOD Single : A 115 GLN : amide:sc= 0.953 K(o=0.95,f=-0.18) USER MOD Single : A 116 LYS NZ :NH3+ 144:sc= 1.03 (180deg=-0.255) USER MOD Single : A 119 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 120 GLN :FLIP amide:sc= 0 F(o=-0.78,f=0) USER MOD Single : A 121 SER OG : rot 180:sc= 0 USER MOD Single : A 122 MET CE :methyl -167:sc= -0.0194 (180deg=-0.224) USER MOD Single : A 124 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -0.395 -7.376 -23.496 1.00 0.00 N ATOM 2 CA GLY A 1 -0.496 -8.396 -22.459 1.00 0.00 C ATOM 3 C GLY A 1 -1.918 -8.544 -22.010 1.00 0.00 C ATOM 4 O GLY A 1 -2.747 -7.672 -22.288 1.00 0.00 O ATOM 0 H1 GLY A 1 -0.094 -7.817 -24.389 1.00 0.00 H new ATOM 0 H2 GLY A 1 -1.322 -6.923 -23.629 1.00 0.00 H new ATOM 0 H3 GLY A 1 0.303 -6.660 -23.211 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -0.127 -9.348 -22.839 1.00 0.00 H new ATOM 0 HA3 GLY A 1 0.134 -8.126 -21.611 1.00 0.00 H new ATOM 10 N SER A 2 -2.223 -9.626 -21.348 1.00 0.00 N ATOM 11 CA SER A 2 -3.554 -9.849 -20.850 1.00 0.00 C ATOM 12 C SER A 2 -3.604 -9.612 -19.345 1.00 0.00 C ATOM 13 O SER A 2 -4.616 -9.136 -18.812 1.00 0.00 O ATOM 14 CB SER A 2 -3.999 -11.261 -21.206 1.00 0.00 C ATOM 15 OG SER A 2 -3.953 -11.441 -22.617 1.00 0.00 O ATOM 0 H SER A 2 -1.562 -10.374 -21.139 1.00 0.00 H new ATOM 0 HA SER A 2 -4.241 -9.143 -21.316 1.00 0.00 H new ATOM 0 HB2 SER A 2 -3.353 -11.990 -20.716 1.00 0.00 H new ATOM 0 HB3 SER A 2 -5.011 -11.436 -20.841 1.00 0.00 H new ATOM 0 HG SER A 2 -4.239 -12.352 -22.840 1.00 0.00 H new ATOM 21 N TYR A 3 -2.476 -9.882 -18.684 1.00 0.00 N ATOM 22 CA TYR A 3 -2.327 -9.745 -17.248 1.00 0.00 C ATOM 23 C TYR A 3 -3.149 -10.766 -16.485 1.00 0.00 C ATOM 24 O TYR A 3 -4.339 -10.574 -16.200 1.00 0.00 O ATOM 25 CB TYR A 3 -2.562 -8.297 -16.752 1.00 0.00 C ATOM 26 CG TYR A 3 -2.544 -8.134 -15.245 1.00 0.00 C ATOM 27 CD1 TYR A 3 -1.493 -8.618 -14.483 1.00 0.00 C ATOM 28 CD2 TYR A 3 -3.591 -7.505 -14.588 1.00 0.00 C ATOM 29 CE1 TYR A 3 -1.487 -8.477 -13.114 1.00 0.00 C ATOM 30 CE2 TYR A 3 -3.590 -7.357 -13.223 1.00 0.00 C ATOM 31 CZ TYR A 3 -2.540 -7.842 -12.488 1.00 0.00 C ATOM 32 OH TYR A 3 -2.537 -7.691 -11.124 1.00 0.00 O ATOM 0 H TYR A 3 -1.628 -10.208 -19.149 1.00 0.00 H new ATOM 0 HA TYR A 3 -1.282 -9.965 -17.029 1.00 0.00 H new ATOM 0 HB2 TYR A 3 -1.797 -7.651 -17.183 1.00 0.00 H new ATOM 0 HB3 TYR A 3 -3.523 -7.949 -17.130 1.00 0.00 H new ATOM 0 HD1 TYR A 3 -0.666 -9.113 -14.970 1.00 0.00 H new ATOM 0 HD2 TYR A 3 -4.423 -7.124 -15.161 1.00 0.00 H new ATOM 0 HE1 TYR A 3 -0.662 -8.861 -12.533 1.00 0.00 H new ATOM 0 HE2 TYR A 3 -4.413 -6.861 -12.731 1.00 0.00 H new ATOM 0 HH TYR A 3 -3.374 -8.041 -10.754 1.00 0.00 H new ATOM 42 N ILE A 4 -2.519 -11.870 -16.210 1.00 0.00 N ATOM 43 CA ILE A 4 -3.099 -12.916 -15.417 1.00 0.00 C ATOM 44 C ILE A 4 -2.275 -12.995 -14.140 1.00 0.00 C ATOM 45 O ILE A 4 -1.210 -13.605 -14.136 1.00 0.00 O ATOM 46 CB ILE A 4 -3.040 -14.303 -16.134 1.00 0.00 C ATOM 47 CG1 ILE A 4 -3.642 -14.230 -17.552 1.00 0.00 C ATOM 48 CG2 ILE A 4 -3.753 -15.377 -15.305 1.00 0.00 C ATOM 49 CD1 ILE A 4 -5.091 -13.810 -17.601 1.00 0.00 C ATOM 0 H ILE A 4 -1.574 -12.073 -16.535 1.00 0.00 H new ATOM 0 HA ILE A 4 -4.149 -12.691 -15.233 1.00 0.00 H new ATOM 0 HB ILE A 4 -1.990 -14.578 -16.228 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -3.055 -13.530 -18.146 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -3.545 -15.208 -18.024 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -3.699 -16.334 -15.825 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -3.271 -15.465 -14.331 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -4.798 -15.097 -15.168 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -5.428 -13.787 -18.637 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -5.695 -14.522 -17.039 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -5.197 -12.818 -17.162 1.00 0.00 H new ATOM 61 N PRO A 5 -2.686 -12.300 -13.082 1.00 0.00 N ATOM 62 CA PRO A 5 -1.944 -12.287 -11.828 1.00 0.00 C ATOM 63 C PRO A 5 -1.997 -13.616 -11.102 1.00 0.00 C ATOM 64 O PRO A 5 -2.839 -14.477 -11.391 1.00 0.00 O ATOM 65 CB PRO A 5 -2.660 -11.243 -10.981 1.00 0.00 C ATOM 66 CG PRO A 5 -4.019 -11.109 -11.572 1.00 0.00 C ATOM 67 CD PRO A 5 -3.897 -11.467 -13.021 1.00 0.00 C ATOM 0 HA PRO A 5 -0.890 -12.079 -12.010 1.00 0.00 H new ATOM 0 HB2 PRO A 5 -2.715 -11.556 -9.938 1.00 0.00 H new ATOM 0 HB3 PRO A 5 -2.129 -10.291 -11.001 1.00 0.00 H new ATOM 0 HG2 PRO A 5 -4.726 -11.768 -11.069 1.00 0.00 H new ATOM 0 HG3 PRO A 5 -4.393 -10.092 -11.455 1.00 0.00 H new ATOM 0 HD2 PRO A 5 -4.774 -12.011 -13.373 1.00 0.00 H new ATOM 0 HD3 PRO A 5 -3.802 -10.578 -13.645 1.00 0.00 H new ATOM 75 N GLY A 6 -1.150 -13.751 -10.115 1.00 0.00 N ATOM 76 CA GLY A 6 -1.131 -14.926 -9.289 1.00 0.00 C ATOM 77 C GLY A 6 -2.143 -14.792 -8.173 1.00 0.00 C ATOM 78 O GLY A 6 -1.820 -14.941 -6.998 1.00 0.00 O ATOM 0 H GLY A 6 -0.455 -13.049 -9.863 1.00 0.00 H new ATOM 0 HA2 GLY A 6 -1.356 -15.807 -9.891 1.00 0.00 H new ATOM 0 HA3 GLY A 6 -0.135 -15.071 -8.872 1.00 0.00 H new ATOM 82 N GLN A 7 -3.354 -14.448 -8.556 1.00 0.00 N ATOM 83 CA GLN A 7 -4.452 -14.276 -7.643 1.00 0.00 C ATOM 84 C GLN A 7 -4.796 -15.590 -6.949 1.00 0.00 C ATOM 85 O GLN A 7 -5.037 -16.608 -7.622 1.00 0.00 O ATOM 86 CB GLN A 7 -5.673 -13.728 -8.388 1.00 0.00 C ATOM 87 CG GLN A 7 -6.915 -13.568 -7.523 1.00 0.00 C ATOM 88 CD GLN A 7 -8.131 -13.063 -8.275 1.00 0.00 C ATOM 89 OE1 GLN A 7 -7.921 -12.289 -9.312 1.00 0.00 O flip ATOM 90 NE2 GLN A 7 -9.262 -13.379 -7.919 1.00 0.00 N flip ATOM 0 H GLN A 7 -3.603 -14.278 -9.531 1.00 0.00 H new ATOM 0 HA GLN A 7 -4.154 -13.560 -6.877 1.00 0.00 H new ATOM 0 HB2 GLN A 7 -5.417 -12.760 -8.818 1.00 0.00 H new ATOM 0 HB3 GLN A 7 -5.906 -14.394 -9.219 1.00 0.00 H new ATOM 0 HG2 GLN A 7 -7.155 -14.529 -7.069 1.00 0.00 H new ATOM 0 HG3 GLN A 7 -6.692 -12.878 -6.709 1.00 0.00 H new ATOM 0 HE21 GLN A 7 -9.391 -13.983 -7.107 1.00 0.00 H new ATOM 0 HE22 GLN A 7 -10.073 -13.038 -8.435 1.00 0.00 H new ATOM 99 N PRO A 8 -4.799 -15.597 -5.604 1.00 0.00 N ATOM 100 CA PRO A 8 -5.164 -16.774 -4.839 1.00 0.00 C ATOM 101 C PRO A 8 -6.633 -17.129 -5.083 1.00 0.00 C ATOM 102 O PRO A 8 -6.918 -18.169 -5.626 1.00 0.00 O ATOM 103 CB PRO A 8 -4.924 -16.362 -3.374 1.00 0.00 C ATOM 104 CG PRO A 8 -4.890 -14.869 -3.379 1.00 0.00 C ATOM 105 CD PRO A 8 -4.429 -14.457 -4.743 1.00 0.00 C ATOM 0 HA PRO A 8 -4.588 -17.657 -5.114 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -5.718 -16.734 -2.727 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -3.987 -16.774 -2.999 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -5.876 -14.458 -3.163 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -4.213 -14.494 -2.611 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -4.915 -13.537 -5.068 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -3.355 -14.274 -4.763 1.00 0.00 H new ATOM 113 N VAL A 9 -7.522 -16.198 -4.678 1.00 0.00 N ATOM 114 CA VAL A 9 -9.015 -16.186 -4.828 1.00 0.00 C ATOM 115 C VAL A 9 -9.607 -15.273 -3.782 1.00 0.00 C ATOM 116 O VAL A 9 -10.476 -14.466 -4.079 1.00 0.00 O ATOM 117 CB VAL A 9 -9.806 -17.554 -4.742 1.00 0.00 C ATOM 118 CG1 VAL A 9 -9.821 -18.318 -6.061 1.00 0.00 C ATOM 119 CG2 VAL A 9 -9.321 -18.432 -3.601 1.00 0.00 C ATOM 0 H VAL A 9 -7.199 -15.359 -4.195 1.00 0.00 H new ATOM 0 HA VAL A 9 -9.140 -15.860 -5.861 1.00 0.00 H new ATOM 0 HB VAL A 9 -10.839 -17.280 -4.527 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -10.378 -19.247 -5.937 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -10.297 -17.709 -6.829 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -8.798 -18.546 -6.361 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -9.895 -19.358 -3.585 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -8.265 -18.662 -3.743 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -9.454 -17.906 -2.655 1.00 0.00 H new ATOM 129 N THR A 10 -9.086 -15.371 -2.557 1.00 0.00 N ATOM 130 CA THR A 10 -9.620 -14.607 -1.449 1.00 0.00 C ATOM 131 C THR A 10 -9.127 -13.185 -1.503 1.00 0.00 C ATOM 132 O THR A 10 -9.622 -12.325 -0.814 1.00 0.00 O ATOM 133 CB THR A 10 -9.272 -15.241 -0.078 1.00 0.00 C ATOM 134 OG1 THR A 10 -10.011 -14.591 0.965 1.00 0.00 O ATOM 135 CG2 THR A 10 -7.774 -15.145 0.229 1.00 0.00 C ATOM 0 H THR A 10 -8.298 -15.972 -2.317 1.00 0.00 H new ATOM 0 HA THR A 10 -10.706 -14.616 -1.547 1.00 0.00 H new ATOM 0 HB THR A 10 -9.543 -16.296 -0.127 1.00 0.00 H new ATOM 0 HG1 THR A 10 -10.062 -13.630 0.780 1.00 0.00 H new ATOM 0 HG21 THR A 10 -7.571 -15.600 1.198 1.00 0.00 H new ATOM 0 HG22 THR A 10 -7.210 -15.669 -0.543 1.00 0.00 H new ATOM 0 HG23 THR A 10 -7.473 -14.097 0.250 1.00 0.00 H new ATOM 143 N ALA A 11 -8.125 -12.965 -2.284 1.00 0.00 N ATOM 144 CA ALA A 11 -7.633 -11.660 -2.505 1.00 0.00 C ATOM 145 C ALA A 11 -7.457 -11.477 -3.959 1.00 0.00 C ATOM 146 O ALA A 11 -6.968 -12.375 -4.642 1.00 0.00 O ATOM 147 CB ALA A 11 -6.328 -11.452 -1.812 1.00 0.00 C ATOM 0 H ALA A 11 -7.624 -13.696 -2.789 1.00 0.00 H new ATOM 0 HA ALA A 11 -8.342 -10.935 -2.105 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -5.974 -10.439 -2.000 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -6.458 -11.598 -0.740 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -5.598 -12.168 -2.189 1.00 0.00 H new ATOM 153 N VAL A 12 -7.859 -10.356 -4.437 1.00 0.00 N ATOM 154 CA VAL A 12 -7.736 -10.061 -5.835 1.00 0.00 C ATOM 155 C VAL A 12 -6.493 -9.238 -6.033 1.00 0.00 C ATOM 156 O VAL A 12 -6.364 -8.176 -5.442 1.00 0.00 O ATOM 157 CB VAL A 12 -8.970 -9.289 -6.385 1.00 0.00 C ATOM 158 CG1 VAL A 12 -8.824 -9.015 -7.879 1.00 0.00 C ATOM 159 CG2 VAL A 12 -10.254 -10.059 -6.116 1.00 0.00 C ATOM 0 H VAL A 12 -8.282 -9.613 -3.881 1.00 0.00 H new ATOM 0 HA VAL A 12 -7.677 -11.001 -6.384 1.00 0.00 H new ATOM 0 HB VAL A 12 -9.022 -8.333 -5.864 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -9.700 -8.474 -8.237 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -7.931 -8.415 -8.053 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -8.736 -9.960 -8.415 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -11.103 -9.500 -6.509 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -10.203 -11.033 -6.604 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -10.377 -10.197 -5.042 1.00 0.00 H new ATOM 169 N VAL A 13 -5.556 -9.759 -6.775 1.00 0.00 N ATOM 170 CA VAL A 13 -4.366 -9.012 -7.099 1.00 0.00 C ATOM 171 C VAL A 13 -4.718 -8.162 -8.303 1.00 0.00 C ATOM 172 O VAL A 13 -5.118 -8.700 -9.326 1.00 0.00 O ATOM 173 CB VAL A 13 -3.178 -9.924 -7.485 1.00 0.00 C ATOM 174 CG1 VAL A 13 -1.903 -9.107 -7.656 1.00 0.00 C ATOM 175 CG2 VAL A 13 -2.970 -11.057 -6.492 1.00 0.00 C ATOM 0 H VAL A 13 -5.590 -10.699 -7.169 1.00 0.00 H new ATOM 0 HA VAL A 13 -4.059 -8.432 -6.229 1.00 0.00 H new ATOM 0 HB VAL A 13 -3.426 -10.385 -8.441 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -1.080 -9.769 -7.927 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -2.048 -8.367 -8.443 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -1.667 -8.600 -6.720 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -2.124 -11.668 -6.809 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -2.769 -10.643 -5.504 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -3.868 -11.674 -6.451 1.00 0.00 H new ATOM 185 N GLN A 14 -4.622 -6.879 -8.167 1.00 0.00 N ATOM 186 CA GLN A 14 -4.981 -5.975 -9.231 1.00 0.00 C ATOM 187 C GLN A 14 -3.853 -4.973 -9.442 1.00 0.00 C ATOM 188 O GLN A 14 -3.105 -4.658 -8.496 1.00 0.00 O ATOM 189 CB GLN A 14 -6.338 -5.304 -8.912 1.00 0.00 C ATOM 190 CG GLN A 14 -6.366 -4.460 -7.643 1.00 0.00 C ATOM 191 CD GLN A 14 -6.230 -2.985 -7.921 1.00 0.00 C ATOM 192 OE1 GLN A 14 -5.044 -2.507 -7.972 1.00 0.00 O flip ATOM 193 NE2 GLN A 14 -7.201 -2.294 -8.116 1.00 0.00 N flip ATOM 0 H GLN A 14 -4.293 -6.420 -7.318 1.00 0.00 H new ATOM 0 HA GLN A 14 -5.112 -6.515 -10.169 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -6.619 -4.672 -9.755 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -7.098 -6.081 -8.829 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -7.301 -4.641 -7.112 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -5.558 -4.777 -6.983 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -8.135 -2.702 -8.069 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -7.087 -1.303 -8.328 1.00 0.00 H new ATOM 202 N ARG A 15 -3.723 -4.456 -10.633 1.00 0.00 N ATOM 203 CA ARG A 15 -2.601 -3.597 -10.936 1.00 0.00 C ATOM 204 C ARG A 15 -2.990 -2.110 -10.788 1.00 0.00 C ATOM 205 O ARG A 15 -4.145 -1.724 -11.036 1.00 0.00 O ATOM 206 CB ARG A 15 -2.053 -3.940 -12.357 1.00 0.00 C ATOM 207 CG ARG A 15 -2.657 -3.177 -13.533 1.00 0.00 C ATOM 208 CD ARG A 15 -1.797 -1.964 -13.844 1.00 0.00 C ATOM 209 NE ARG A 15 -2.347 -1.090 -14.878 1.00 0.00 N ATOM 210 CZ ARG A 15 -1.602 -0.243 -15.605 1.00 0.00 C ATOM 211 NH1 ARG A 15 -0.273 -0.380 -15.631 1.00 0.00 N ATOM 212 NH2 ARG A 15 -2.176 0.695 -16.347 1.00 0.00 N ATOM 0 H ARG A 15 -4.371 -4.610 -11.406 1.00 0.00 H new ATOM 0 HA ARG A 15 -1.799 -3.773 -10.220 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -0.977 -3.766 -12.357 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -2.204 -5.005 -12.531 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -2.720 -3.825 -14.407 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -3.673 -2.864 -13.294 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -1.660 -1.386 -12.930 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -0.810 -2.303 -14.158 1.00 0.00 H new ATOM 0 HE ARG A 15 -3.351 -1.126 -15.057 1.00 0.00 H new ATOM 0 HH11 ARG A 15 0.173 -1.127 -15.099 1.00 0.00 H new ATOM 0 HH12 ARG A 15 0.295 0.263 -16.183 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -3.192 0.777 -16.368 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -1.601 1.334 -16.896 1.00 0.00 H new ATOM 226 N VAL A 16 -2.048 -1.299 -10.358 1.00 0.00 N ATOM 227 CA VAL A 16 -2.247 0.133 -10.226 1.00 0.00 C ATOM 228 C VAL A 16 -1.136 0.814 -11.011 1.00 0.00 C ATOM 229 O VAL A 16 -0.074 0.208 -11.227 1.00 0.00 O ATOM 230 CB VAL A 16 -2.121 0.651 -8.765 1.00 0.00 C ATOM 231 CG1 VAL A 16 -2.971 1.867 -8.555 1.00 0.00 C ATOM 232 CG2 VAL A 16 -2.365 -0.406 -7.707 1.00 0.00 C ATOM 0 H VAL A 16 -1.116 -1.614 -10.088 1.00 0.00 H new ATOM 0 HA VAL A 16 -3.255 0.352 -10.579 1.00 0.00 H new ATOM 0 HB VAL A 16 -1.076 0.934 -8.635 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -2.866 2.211 -7.526 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -2.652 2.656 -9.236 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -4.014 1.620 -8.751 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -2.258 0.038 -6.717 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -3.373 -0.806 -7.818 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -1.640 -1.212 -7.824 1.00 0.00 H new ATOM 242 N GLU A 17 -1.342 2.044 -11.404 1.00 0.00 N ATOM 243 CA GLU A 17 -0.346 2.770 -12.139 1.00 0.00 C ATOM 244 C GLU A 17 -0.392 4.245 -11.794 1.00 0.00 C ATOM 245 O GLU A 17 -1.287 4.984 -12.227 1.00 0.00 O ATOM 246 CB GLU A 17 -0.509 2.520 -13.628 1.00 0.00 C ATOM 247 CG GLU A 17 0.501 3.213 -14.512 1.00 0.00 C ATOM 248 CD GLU A 17 0.449 2.674 -15.922 1.00 0.00 C ATOM 249 OE1 GLU A 17 -0.421 3.076 -16.708 1.00 0.00 O ATOM 250 OE2 GLU A 17 1.249 1.783 -16.269 1.00 0.00 O ATOM 0 H GLU A 17 -2.200 2.566 -11.224 1.00 0.00 H new ATOM 0 HA GLU A 17 0.642 2.410 -11.853 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -0.450 1.447 -13.808 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -1.508 2.839 -13.926 1.00 0.00 H new ATOM 0 HG2 GLU A 17 0.305 4.285 -14.522 1.00 0.00 H new ATOM 0 HG3 GLU A 17 1.502 3.075 -14.103 1.00 0.00 H new ATOM 257 N ILE A 18 0.551 4.652 -11.004 1.00 0.00 N ATOM 258 CA ILE A 18 0.636 6.017 -10.557 1.00 0.00 C ATOM 259 C ILE A 18 1.499 6.812 -11.496 1.00 0.00 C ATOM 260 O ILE A 18 2.613 6.402 -11.809 1.00 0.00 O ATOM 261 CB ILE A 18 1.153 6.168 -9.067 1.00 0.00 C ATOM 262 CG1 ILE A 18 0.037 5.966 -8.020 1.00 0.00 C ATOM 263 CG2 ILE A 18 1.851 7.497 -8.827 1.00 0.00 C ATOM 264 CD1 ILE A 18 -0.402 4.549 -7.763 1.00 0.00 C ATOM 0 H ILE A 18 1.290 4.048 -10.646 1.00 0.00 H new ATOM 0 HA ILE A 18 -0.381 6.409 -10.563 1.00 0.00 H new ATOM 0 HB ILE A 18 1.882 5.368 -8.938 1.00 0.00 H new ATOM 0 HG12 ILE A 18 0.375 6.394 -7.076 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -0.834 6.540 -8.336 1.00 0.00 H new ATOM 0 HG21 ILE A 18 2.186 7.550 -7.791 1.00 0.00 H new ATOM 0 HG22 ILE A 18 2.711 7.581 -9.491 1.00 0.00 H new ATOM 0 HG23 ILE A 18 1.157 8.314 -9.026 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -1.189 4.543 -7.009 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -0.781 4.112 -8.687 1.00 0.00 H new ATOM 0 HD13 ILE A 18 0.446 3.964 -7.407 1.00 0.00 H new ATOM 276 N HIS A 19 0.953 7.906 -11.975 1.00 0.00 N ATOM 277 CA HIS A 19 1.668 8.830 -12.823 1.00 0.00 C ATOM 278 C HIS A 19 2.217 9.981 -11.989 1.00 0.00 C ATOM 279 O HIS A 19 1.775 10.199 -10.861 1.00 0.00 O ATOM 280 CB HIS A 19 0.756 9.389 -13.940 1.00 0.00 C ATOM 281 CG HIS A 19 0.324 8.405 -14.982 1.00 0.00 C ATOM 282 ND1 HIS A 19 0.659 7.119 -15.138 1.00 0.00 N flip ATOM 283 CD2 HIS A 19 -0.542 8.700 -16.017 1.00 0.00 C flip ATOM 284 CE1 HIS A 19 0.013 6.603 -16.259 1.00 0.00 C flip ATOM 285 NE2 HIS A 19 -0.700 7.599 -16.749 1.00 0.00 N flip ATOM 0 H HIS A 19 -0.010 8.182 -11.784 1.00 0.00 H new ATOM 0 HA HIS A 19 2.490 8.289 -13.291 1.00 0.00 H new ATOM 0 HB2 HIS A 19 -0.135 9.814 -13.477 1.00 0.00 H new ATOM 0 HB3 HIS A 19 1.279 10.207 -14.435 1.00 0.00 H new ATOM 0 HD2 HIS A 19 -1.009 9.656 -16.200 1.00 0.00 H new ATOM 0 HE1 HIS A 19 0.082 5.597 -16.646 1.00 0.00 H new ATOM 0 HE2 HIS A 19 -1.292 7.534 -17.577 1.00 0.00 H new ATOM 293 N LYS A 20 3.184 10.683 -12.555 1.00 0.00 N ATOM 294 CA LYS A 20 3.819 11.881 -11.973 1.00 0.00 C ATOM 295 C LYS A 20 2.824 12.836 -11.280 1.00 0.00 C ATOM 296 O LYS A 20 1.819 13.260 -11.873 1.00 0.00 O ATOM 297 CB LYS A 20 4.512 12.635 -13.110 1.00 0.00 C ATOM 298 CG LYS A 20 5.253 13.899 -12.710 1.00 0.00 C ATOM 299 CD LYS A 20 5.735 14.665 -13.934 1.00 0.00 C ATOM 300 CE LYS A 20 6.737 13.861 -14.742 1.00 0.00 C ATOM 301 NZ LYS A 20 7.137 14.553 -15.970 1.00 0.00 N ATOM 0 H LYS A 20 3.571 10.436 -13.466 1.00 0.00 H new ATOM 0 HA LYS A 20 4.514 11.546 -11.203 1.00 0.00 H new ATOM 0 HB2 LYS A 20 5.219 11.959 -13.591 1.00 0.00 H new ATOM 0 HB3 LYS A 20 3.762 12.897 -13.857 1.00 0.00 H new ATOM 0 HG2 LYS A 20 4.598 14.535 -12.115 1.00 0.00 H new ATOM 0 HG3 LYS A 20 6.105 13.641 -12.081 1.00 0.00 H new ATOM 0 HD2 LYS A 20 4.882 14.920 -14.563 1.00 0.00 H new ATOM 0 HD3 LYS A 20 6.191 15.604 -13.619 1.00 0.00 H new ATOM 0 HE2 LYS A 20 7.619 13.665 -14.133 1.00 0.00 H new ATOM 0 HE3 LYS A 20 6.304 12.893 -14.996 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 7.822 13.968 -16.491 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 6.300 14.717 -16.564 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 7.574 15.465 -15.728 1.00 0.00 H new ATOM 315 N LEU A 21 3.113 13.144 -10.028 1.00 0.00 N ATOM 316 CA LEU A 21 2.376 14.127 -9.269 1.00 0.00 C ATOM 317 C LEU A 21 3.334 14.964 -8.429 1.00 0.00 C ATOM 318 O LEU A 21 4.191 14.425 -7.721 1.00 0.00 O ATOM 319 CB LEU A 21 1.385 13.476 -8.322 1.00 0.00 C ATOM 320 CG LEU A 21 0.633 14.474 -7.411 1.00 0.00 C ATOM 321 CD1 LEU A 21 -0.348 15.324 -8.209 1.00 0.00 C ATOM 322 CD2 LEU A 21 -0.049 13.792 -6.244 1.00 0.00 C ATOM 0 H LEU A 21 3.876 12.711 -9.508 1.00 0.00 H new ATOM 0 HA LEU A 21 1.839 14.747 -9.987 1.00 0.00 H new ATOM 0 HB2 LEU A 21 0.656 12.914 -8.906 1.00 0.00 H new ATOM 0 HB3 LEU A 21 1.915 12.758 -7.696 1.00 0.00 H new ATOM 0 HG LEU A 21 1.385 15.140 -6.988 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -0.860 16.015 -7.539 1.00 0.00 H new ATOM 0 HD12 LEU A 21 0.194 15.889 -8.968 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -1.080 14.677 -8.692 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -0.562 14.537 -5.636 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -0.773 13.068 -6.618 1.00 0.00 H new ATOM 0 HD23 LEU A 21 0.696 13.279 -5.636 1.00 0.00 H new ATOM 334 N ARG A 22 3.185 16.258 -8.490 1.00 0.00 N ATOM 335 CA ARG A 22 3.983 17.141 -7.682 1.00 0.00 C ATOM 336 C ARG A 22 3.153 17.559 -6.491 1.00 0.00 C ATOM 337 O ARG A 22 1.963 17.842 -6.637 1.00 0.00 O ATOM 338 CB ARG A 22 4.342 18.402 -8.444 1.00 0.00 C ATOM 339 CG ARG A 22 4.966 18.202 -9.809 1.00 0.00 C ATOM 340 CD ARG A 22 5.162 19.554 -10.469 1.00 0.00 C ATOM 341 NE ARG A 22 3.901 20.323 -10.449 1.00 0.00 N ATOM 342 CZ ARG A 22 3.808 21.635 -10.187 1.00 0.00 C ATOM 343 NH1 ARG A 22 4.897 22.392 -10.171 1.00 0.00 N ATOM 344 NH2 ARG A 22 2.618 22.186 -9.976 1.00 0.00 N ATOM 0 H ARG A 22 2.513 16.729 -9.096 1.00 0.00 H new ATOM 0 HA ARG A 22 4.896 16.621 -7.392 1.00 0.00 H new ATOM 0 HB2 ARG A 22 3.438 18.999 -8.564 1.00 0.00 H new ATOM 0 HB3 ARG A 22 5.031 18.987 -7.834 1.00 0.00 H new ATOM 0 HG2 ARG A 22 5.923 17.688 -9.713 1.00 0.00 H new ATOM 0 HG3 ARG A 22 4.326 17.572 -10.426 1.00 0.00 H new ATOM 0 HD2 ARG A 22 5.943 20.110 -9.950 1.00 0.00 H new ATOM 0 HD3 ARG A 22 5.497 19.419 -11.497 1.00 0.00 H new ATOM 0 HE ARG A 22 3.037 19.819 -10.649 1.00 0.00 H new ATOM 0 HH11 ARG A 22 5.810 21.977 -10.358 1.00 0.00 H new ATOM 0 HH12 ARG A 22 4.822 23.389 -9.971 1.00 0.00 H new ATOM 0 HH21 ARG A 22 1.776 21.611 -10.013 1.00 0.00 H new ATOM 0 HH22 ARG A 22 2.546 23.184 -9.777 1.00 0.00 H new ATOM 358 N GLN A 23 3.736 17.578 -5.333 1.00 0.00 N ATOM 359 CA GLN A 23 3.053 18.073 -4.176 1.00 0.00 C ATOM 360 C GLN A 23 3.945 19.075 -3.546 1.00 0.00 C ATOM 361 O GLN A 23 4.965 18.705 -2.979 1.00 0.00 O ATOM 362 CB GLN A 23 2.720 16.967 -3.175 1.00 0.00 C ATOM 363 CG GLN A 23 1.766 15.904 -3.687 1.00 0.00 C ATOM 364 CD GLN A 23 1.341 14.937 -2.603 1.00 0.00 C ATOM 365 OE1 GLN A 23 1.059 13.724 -2.978 1.00 0.00 O flip ATOM 366 NE2 GLN A 23 1.267 15.284 -1.433 1.00 0.00 N flip ATOM 0 H GLN A 23 4.688 17.255 -5.162 1.00 0.00 H new ATOM 0 HA GLN A 23 2.100 18.508 -4.477 1.00 0.00 H new ATOM 0 HB2 GLN A 23 3.648 16.484 -2.869 1.00 0.00 H new ATOM 0 HB3 GLN A 23 2.288 17.422 -2.284 1.00 0.00 H new ATOM 0 HG2 GLN A 23 0.883 16.385 -4.107 1.00 0.00 H new ATOM 0 HG3 GLN A 23 2.243 15.351 -4.496 1.00 0.00 H new ATOM 0 HE21 GLN A 23 1.495 16.243 -1.170 1.00 0.00 H new ATOM 0 HE22 GLN A 23 0.978 14.615 -0.720 1.00 0.00 H new ATOM 375 N GLY A 24 3.628 20.328 -3.721 1.00 0.00 N ATOM 376 CA GLY A 24 4.445 21.377 -3.177 1.00 0.00 C ATOM 377 C GLY A 24 5.759 21.461 -3.905 1.00 0.00 C ATOM 378 O GLY A 24 5.810 21.845 -5.081 1.00 0.00 O ATOM 0 H GLY A 24 2.808 20.648 -4.237 1.00 0.00 H new ATOM 0 HA2 GLY A 24 3.920 22.329 -3.253 1.00 0.00 H new ATOM 0 HA3 GLY A 24 4.622 21.194 -2.117 1.00 0.00 H new ATOM 382 N GLU A 25 6.808 21.057 -3.245 1.00 0.00 N ATOM 383 CA GLU A 25 8.123 21.068 -3.841 1.00 0.00 C ATOM 384 C GLU A 25 8.622 19.657 -4.060 1.00 0.00 C ATOM 385 O GLU A 25 9.789 19.435 -4.407 1.00 0.00 O ATOM 386 CB GLU A 25 9.099 21.809 -2.956 1.00 0.00 C ATOM 387 CG GLU A 25 8.701 23.224 -2.633 1.00 0.00 C ATOM 388 CD GLU A 25 9.774 23.929 -1.881 1.00 0.00 C ATOM 389 OE1 GLU A 25 9.816 23.830 -0.628 1.00 0.00 O ATOM 390 OE2 GLU A 25 10.622 24.575 -2.511 1.00 0.00 O ATOM 0 H GLU A 25 6.781 20.712 -2.285 1.00 0.00 H new ATOM 0 HA GLU A 25 8.050 21.575 -4.803 1.00 0.00 H new ATOM 0 HB2 GLU A 25 9.216 21.256 -2.024 1.00 0.00 H new ATOM 0 HB3 GLU A 25 10.074 21.822 -3.443 1.00 0.00 H new ATOM 0 HG2 GLU A 25 8.486 23.763 -3.556 1.00 0.00 H new ATOM 0 HG3 GLU A 25 7.783 23.221 -2.045 1.00 0.00 H new ATOM 397 N ASN A 26 7.753 18.705 -3.875 1.00 0.00 N ATOM 398 CA ASN A 26 8.155 17.321 -3.965 1.00 0.00 C ATOM 399 C ASN A 26 7.474 16.694 -5.122 1.00 0.00 C ATOM 400 O ASN A 26 6.574 17.282 -5.736 1.00 0.00 O ATOM 401 CB ASN A 26 7.727 16.512 -2.725 1.00 0.00 C ATOM 402 CG ASN A 26 7.806 17.275 -1.450 1.00 0.00 C ATOM 403 OD1 ASN A 26 8.823 17.292 -0.762 1.00 0.00 O ATOM 404 ND2 ASN A 26 6.722 17.902 -1.134 1.00 0.00 N ATOM 0 H ASN A 26 6.767 18.855 -3.662 1.00 0.00 H new ATOM 0 HA ASN A 26 9.241 17.310 -4.057 1.00 0.00 H new ATOM 0 HB2 ASN A 26 6.704 16.164 -2.866 1.00 0.00 H new ATOM 0 HB3 ASN A 26 8.357 15.626 -2.646 1.00 0.00 H new ATOM 0 HD21 ASN A 26 6.681 18.448 -0.273 1.00 0.00 H new ATOM 0 HD22 ASN A 26 5.907 17.852 -1.745 1.00 0.00 H new ATOM 411 N LEU A 27 7.872 15.518 -5.397 1.00 0.00 N ATOM 412 CA LEU A 27 7.250 14.697 -6.353 1.00 0.00 C ATOM 413 C LEU A 27 6.874 13.468 -5.605 1.00 0.00 C ATOM 414 O LEU A 27 7.744 12.801 -5.059 1.00 0.00 O ATOM 415 CB LEU A 27 8.205 14.312 -7.439 1.00 0.00 C ATOM 416 CG LEU A 27 7.546 13.612 -8.600 1.00 0.00 C ATOM 417 CD1 LEU A 27 6.858 14.599 -9.509 1.00 0.00 C ATOM 418 CD2 LEU A 27 8.518 12.748 -9.327 1.00 0.00 C ATOM 0 H LEU A 27 8.674 15.081 -4.943 1.00 0.00 H new ATOM 0 HA LEU A 27 6.406 15.206 -6.819 1.00 0.00 H new ATOM 0 HB2 LEU A 27 8.708 15.208 -7.803 1.00 0.00 H new ATOM 0 HB3 LEU A 27 8.974 13.662 -7.022 1.00 0.00 H new ATOM 0 HG LEU A 27 6.771 12.953 -8.208 1.00 0.00 H new ATOM 0 HD11 LEU A 27 6.391 14.066 -10.338 1.00 0.00 H new ATOM 0 HD12 LEU A 27 6.095 15.139 -8.949 1.00 0.00 H new ATOM 0 HD13 LEU A 27 7.590 15.306 -9.899 1.00 0.00 H new ATOM 0 HD21 LEU A 27 8.015 12.255 -10.159 1.00 0.00 H new ATOM 0 HD22 LEU A 27 9.335 13.360 -9.708 1.00 0.00 H new ATOM 0 HD23 LEU A 27 8.916 11.995 -8.646 1.00 0.00 H new ATOM 430 N ILE A 28 5.618 13.204 -5.488 1.00 0.00 N ATOM 431 CA ILE A 28 5.205 12.071 -4.712 1.00 0.00 C ATOM 432 C ILE A 28 4.131 11.327 -5.443 1.00 0.00 C ATOM 433 O ILE A 28 3.363 11.918 -6.193 1.00 0.00 O ATOM 434 CB ILE A 28 4.663 12.456 -3.299 1.00 0.00 C ATOM 435 CG1 ILE A 28 5.053 13.894 -2.922 1.00 0.00 C ATOM 436 CG2 ILE A 28 5.199 11.481 -2.261 1.00 0.00 C ATOM 437 CD1 ILE A 28 4.665 14.310 -1.529 1.00 0.00 C ATOM 0 H ILE A 28 4.863 13.745 -5.911 1.00 0.00 H new ATOM 0 HA ILE A 28 6.092 11.454 -4.570 1.00 0.00 H new ATOM 0 HB ILE A 28 3.575 12.401 -3.325 1.00 0.00 H new ATOM 0 HG12 ILE A 28 6.132 14.003 -3.031 1.00 0.00 H new ATOM 0 HG13 ILE A 28 4.590 14.579 -3.632 1.00 0.00 H new ATOM 0 HG21 ILE A 28 4.819 11.753 -1.276 1.00 0.00 H new ATOM 0 HG22 ILE A 28 4.874 10.470 -2.509 1.00 0.00 H new ATOM 0 HG23 ILE A 28 6.288 11.521 -2.253 1.00 0.00 H new ATOM 0 HD11 ILE A 28 4.981 15.338 -1.355 1.00 0.00 H new ATOM 0 HD12 ILE A 28 3.583 14.239 -1.416 1.00 0.00 H new ATOM 0 HD13 ILE A 28 5.149 13.654 -0.805 1.00 0.00 H new ATOM 449 N LEU A 29 4.037 10.057 -5.165 1.00 0.00 N ATOM 450 CA LEU A 29 3.074 9.179 -5.795 1.00 0.00 C ATOM 451 C LEU A 29 1.683 9.345 -5.183 1.00 0.00 C ATOM 452 O LEU A 29 0.724 8.670 -5.563 1.00 0.00 O ATOM 453 CB LEU A 29 3.545 7.719 -5.708 1.00 0.00 C ATOM 454 CG LEU A 29 4.669 7.274 -6.680 1.00 0.00 C ATOM 455 CD1 LEU A 29 5.975 8.048 -6.489 1.00 0.00 C ATOM 456 CD2 LEU A 29 4.910 5.792 -6.540 1.00 0.00 C ATOM 0 H LEU A 29 4.635 9.589 -4.484 1.00 0.00 H new ATOM 0 HA LEU A 29 3.001 9.456 -6.847 1.00 0.00 H new ATOM 0 HB2 LEU A 29 3.888 7.535 -4.690 1.00 0.00 H new ATOM 0 HB3 LEU A 29 2.681 7.076 -5.874 1.00 0.00 H new ATOM 0 HG LEU A 29 4.324 7.501 -7.689 1.00 0.00 H new ATOM 0 HD11 LEU A 29 6.719 7.688 -7.200 1.00 0.00 H new ATOM 0 HD12 LEU A 29 5.797 9.110 -6.658 1.00 0.00 H new ATOM 0 HD13 LEU A 29 6.341 7.899 -5.473 1.00 0.00 H new ATOM 0 HD21 LEU A 29 5.700 5.486 -7.225 1.00 0.00 H new ATOM 0 HD22 LEU A 29 5.210 5.567 -5.516 1.00 0.00 H new ATOM 0 HD23 LEU A 29 3.994 5.250 -6.777 1.00 0.00 H new ATOM 468 N GLY A 30 1.581 10.227 -4.220 1.00 0.00 N ATOM 469 CA GLY A 30 0.304 10.527 -3.651 1.00 0.00 C ATOM 470 C GLY A 30 -0.051 9.720 -2.410 1.00 0.00 C ATOM 471 O GLY A 30 -0.685 10.247 -1.501 1.00 0.00 O ATOM 0 H GLY A 30 2.365 10.743 -3.820 1.00 0.00 H new ATOM 0 HA2 GLY A 30 0.275 11.587 -3.398 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -0.463 10.359 -4.407 1.00 0.00 H new ATOM 475 N PHE A 31 0.311 8.457 -2.376 1.00 0.00 N ATOM 476 CA PHE A 31 -0.057 7.607 -1.259 1.00 0.00 C ATOM 477 C PHE A 31 1.085 7.401 -0.243 1.00 0.00 C ATOM 478 O PHE A 31 2.182 7.929 -0.404 1.00 0.00 O ATOM 479 CB PHE A 31 -0.607 6.280 -1.767 1.00 0.00 C ATOM 480 CG PHE A 31 0.371 5.402 -2.472 1.00 0.00 C ATOM 481 CD1 PHE A 31 0.717 5.633 -3.788 1.00 0.00 C ATOM 482 CD2 PHE A 31 0.917 4.331 -1.823 1.00 0.00 C ATOM 483 CE1 PHE A 31 1.601 4.803 -4.438 1.00 0.00 C ATOM 484 CE2 PHE A 31 1.795 3.493 -2.458 1.00 0.00 C ATOM 485 CZ PHE A 31 2.146 3.726 -3.771 1.00 0.00 C ATOM 0 H PHE A 31 0.857 7.995 -3.103 1.00 0.00 H new ATOM 0 HA PHE A 31 -0.842 8.126 -0.708 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -1.017 5.730 -0.920 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -1.436 6.487 -2.444 1.00 0.00 H new ATOM 0 HD1 PHE A 31 0.289 6.474 -4.313 1.00 0.00 H new ATOM 0 HD2 PHE A 31 0.652 4.142 -0.793 1.00 0.00 H new ATOM 0 HE1 PHE A 31 1.867 4.994 -5.467 1.00 0.00 H new ATOM 0 HE2 PHE A 31 2.213 2.649 -1.930 1.00 0.00 H new ATOM 0 HZ PHE A 31 2.842 3.070 -4.273 1.00 0.00 H new ATOM 495 N SER A 32 0.788 6.662 0.815 1.00 0.00 N ATOM 496 CA SER A 32 1.702 6.382 1.890 1.00 0.00 C ATOM 497 C SER A 32 1.490 4.949 2.402 1.00 0.00 C ATOM 498 O SER A 32 0.477 4.341 2.092 1.00 0.00 O ATOM 499 CB SER A 32 1.451 7.369 2.985 1.00 0.00 C ATOM 500 OG SER A 32 1.682 8.695 2.522 1.00 0.00 O ATOM 0 H SER A 32 -0.127 6.231 0.945 1.00 0.00 H new ATOM 0 HA SER A 32 2.731 6.467 1.542 1.00 0.00 H new ATOM 0 HB2 SER A 32 0.425 7.275 3.340 1.00 0.00 H new ATOM 0 HB3 SER A 32 2.102 7.155 3.832 1.00 0.00 H new ATOM 0 HG SER A 32 1.512 9.330 3.249 1.00 0.00 H new ATOM 506 N ILE A 33 2.409 4.436 3.229 1.00 0.00 N ATOM 507 CA ILE A 33 2.383 3.023 3.619 1.00 0.00 C ATOM 508 C ILE A 33 2.424 2.852 5.124 1.00 0.00 C ATOM 509 O ILE A 33 2.765 3.786 5.852 1.00 0.00 O ATOM 510 CB ILE A 33 3.593 2.258 3.031 1.00 0.00 C ATOM 511 CG1 ILE A 33 4.893 2.600 3.786 1.00 0.00 C ATOM 512 CG2 ILE A 33 3.734 2.587 1.571 1.00 0.00 C ATOM 513 CD1 ILE A 33 6.127 1.918 3.262 1.00 0.00 C ATOM 0 H ILE A 33 3.173 4.974 3.638 1.00 0.00 H new ATOM 0 HA ILE A 33 1.449 2.620 3.227 1.00 0.00 H new ATOM 0 HB ILE A 33 3.416 1.189 3.147 1.00 0.00 H new ATOM 0 HG12 ILE A 33 5.047 3.678 3.746 1.00 0.00 H new ATOM 0 HG13 ILE A 33 4.767 2.335 4.836 1.00 0.00 H new ATOM 0 HG21 ILE A 33 4.586 2.048 1.157 1.00 0.00 H new ATOM 0 HG22 ILE A 33 2.827 2.293 1.042 1.00 0.00 H new ATOM 0 HG23 ILE A 33 3.891 3.659 1.453 1.00 0.00 H new ATOM 0 HD11 ILE A 33 6.990 2.220 3.856 1.00 0.00 H new ATOM 0 HD12 ILE A 33 6.001 0.837 3.328 1.00 0.00 H new ATOM 0 HD13 ILE A 33 6.285 2.202 2.222 1.00 0.00 H new ATOM 525 N GLY A 34 2.153 1.646 5.572 1.00 0.00 N ATOM 526 CA GLY A 34 2.158 1.369 6.976 1.00 0.00 C ATOM 527 C GLY A 34 3.341 0.543 7.339 1.00 0.00 C ATOM 528 O GLY A 34 3.896 0.668 8.421 1.00 0.00 O ATOM 0 H GLY A 34 1.928 0.848 4.978 1.00 0.00 H new ATOM 0 HA2 GLY A 34 2.173 2.303 7.537 1.00 0.00 H new ATOM 0 HA3 GLY A 34 1.243 0.846 7.253 1.00 0.00 H new ATOM 532 N GLY A 35 3.785 -0.261 6.415 1.00 0.00 N ATOM 533 CA GLY A 35 4.919 -1.075 6.675 1.00 0.00 C ATOM 534 C GLY A 35 4.687 -2.518 6.394 1.00 0.00 C ATOM 535 O GLY A 35 3.573 -2.941 6.253 1.00 0.00 O ATOM 0 H GLY A 35 3.378 -0.364 5.486 1.00 0.00 H new ATOM 0 HA2 GLY A 35 5.755 -0.724 6.070 1.00 0.00 H new ATOM 0 HA3 GLY A 35 5.210 -0.958 7.719 1.00 0.00 H new ATOM 539 N GLY A 36 5.773 -3.242 6.257 1.00 0.00 N ATOM 540 CA GLY A 36 5.708 -4.647 6.013 1.00 0.00 C ATOM 541 C GLY A 36 6.126 -5.459 7.201 1.00 0.00 C ATOM 542 O GLY A 36 5.567 -5.325 8.268 1.00 0.00 O ATOM 0 H GLY A 36 6.720 -2.866 6.313 1.00 0.00 H new ATOM 0 HA2 GLY A 36 4.689 -4.917 5.734 1.00 0.00 H new ATOM 0 HA3 GLY A 36 6.347 -4.895 5.165 1.00 0.00 H new ATOM 546 N ILE A 37 7.165 -6.248 7.028 1.00 0.00 N ATOM 547 CA ILE A 37 7.642 -7.174 8.078 1.00 0.00 C ATOM 548 C ILE A 37 8.224 -6.421 9.277 1.00 0.00 C ATOM 549 O ILE A 37 8.219 -6.915 10.400 1.00 0.00 O ATOM 550 CB ILE A 37 8.695 -8.201 7.551 1.00 0.00 C ATOM 551 CG1 ILE A 37 10.082 -7.553 7.271 1.00 0.00 C ATOM 552 CG2 ILE A 37 8.163 -8.904 6.306 1.00 0.00 C ATOM 553 CD1 ILE A 37 10.112 -6.550 6.161 1.00 0.00 C ATOM 0 H ILE A 37 7.712 -6.279 6.167 1.00 0.00 H new ATOM 0 HA ILE A 37 6.760 -7.729 8.396 1.00 0.00 H new ATOM 0 HB ILE A 37 8.853 -8.936 8.341 1.00 0.00 H new ATOM 0 HG12 ILE A 37 10.428 -7.069 8.184 1.00 0.00 H new ATOM 0 HG13 ILE A 37 10.794 -8.346 7.041 1.00 0.00 H new ATOM 0 HG21 ILE A 37 8.904 -9.618 5.946 1.00 0.00 H new ATOM 0 HG22 ILE A 37 7.241 -9.431 6.552 1.00 0.00 H new ATOM 0 HG23 ILE A 37 7.963 -8.166 5.529 1.00 0.00 H new ATOM 0 HD11 ILE A 37 11.124 -6.161 6.050 1.00 0.00 H new ATOM 0 HD12 ILE A 37 9.803 -7.027 5.231 1.00 0.00 H new ATOM 0 HD13 ILE A 37 9.431 -5.731 6.392 1.00 0.00 H new ATOM 565 N ASP A 38 8.668 -5.201 9.004 1.00 0.00 N ATOM 566 CA ASP A 38 9.280 -4.290 9.987 1.00 0.00 C ATOM 567 C ASP A 38 8.258 -3.849 11.037 1.00 0.00 C ATOM 568 O ASP A 38 8.607 -3.316 12.082 1.00 0.00 O ATOM 569 CB ASP A 38 9.861 -3.076 9.202 1.00 0.00 C ATOM 570 CG ASP A 38 10.368 -1.901 10.032 1.00 0.00 C ATOM 571 OD1 ASP A 38 11.349 -2.038 10.759 1.00 0.00 O ATOM 572 OD2 ASP A 38 9.805 -0.790 9.899 1.00 0.00 O ATOM 0 H ASP A 38 8.615 -4.798 8.068 1.00 0.00 H new ATOM 0 HA ASP A 38 10.078 -4.794 10.532 1.00 0.00 H new ATOM 0 HB2 ASP A 38 10.683 -3.434 8.582 1.00 0.00 H new ATOM 0 HB3 ASP A 38 9.089 -2.707 8.526 1.00 0.00 H new ATOM 577 N GLN A 39 6.995 -4.112 10.757 1.00 0.00 N ATOM 578 CA GLN A 39 5.895 -3.692 11.628 1.00 0.00 C ATOM 579 C GLN A 39 5.363 -4.889 12.405 1.00 0.00 C ATOM 580 O GLN A 39 5.745 -6.031 12.128 1.00 0.00 O ATOM 581 CB GLN A 39 4.758 -3.101 10.768 1.00 0.00 C ATOM 582 CG GLN A 39 5.256 -2.352 9.598 1.00 0.00 C ATOM 583 CD GLN A 39 6.243 -1.286 9.951 1.00 0.00 C ATOM 584 OE1 GLN A 39 7.260 -1.233 9.162 1.00 0.00 O flip ATOM 585 NE2 GLN A 39 6.155 -0.618 10.976 1.00 0.00 N flip ATOM 0 H GLN A 39 6.696 -4.620 9.925 1.00 0.00 H new ATOM 0 HA GLN A 39 6.260 -2.940 12.328 1.00 0.00 H new ATOM 0 HB2 GLN A 39 4.109 -3.908 10.428 1.00 0.00 H new ATOM 0 HB3 GLN A 39 4.148 -2.440 11.384 1.00 0.00 H new ATOM 0 HG2 GLN A 39 5.720 -3.049 8.900 1.00 0.00 H new ATOM 0 HG3 GLN A 39 4.411 -1.898 9.080 1.00 0.00 H new ATOM 0 HE21 GLN A 39 5.327 -0.697 11.567 1.00 0.00 H new ATOM 0 HE22 GLN A 39 6.909 0.017 11.237 1.00 0.00 H new ATOM 594 N ASP A 40 4.518 -4.626 13.378 1.00 0.00 N ATOM 595 CA ASP A 40 3.827 -5.683 14.119 1.00 0.00 C ATOM 596 C ASP A 40 2.382 -5.548 13.800 1.00 0.00 C ATOM 597 O ASP A 40 1.831 -4.453 13.961 1.00 0.00 O ATOM 598 CB ASP A 40 3.945 -5.514 15.618 1.00 0.00 C ATOM 599 CG ASP A 40 3.468 -6.742 16.378 1.00 0.00 C ATOM 600 OD1 ASP A 40 2.255 -6.952 16.485 1.00 0.00 O ATOM 601 OD2 ASP A 40 4.297 -7.512 16.882 1.00 0.00 O ATOM 0 H ASP A 40 4.285 -3.681 13.684 1.00 0.00 H new ATOM 0 HA ASP A 40 4.265 -6.641 13.839 1.00 0.00 H new ATOM 0 HB2 ASP A 40 4.984 -5.310 15.877 1.00 0.00 H new ATOM 0 HB3 ASP A 40 3.362 -4.647 15.930 1.00 0.00 H new ATOM 606 N PRO A 41 1.723 -6.612 13.378 1.00 0.00 N ATOM 607 CA PRO A 41 0.330 -6.552 13.008 1.00 0.00 C ATOM 608 C PRO A 41 -0.581 -6.034 14.122 1.00 0.00 C ATOM 609 O PRO A 41 -1.521 -5.305 13.852 1.00 0.00 O ATOM 610 CB PRO A 41 -0.031 -7.979 12.620 1.00 0.00 C ATOM 611 CG PRO A 41 1.072 -8.836 13.118 1.00 0.00 C ATOM 612 CD PRO A 41 2.281 -7.965 13.213 1.00 0.00 C ATOM 0 HA PRO A 41 0.182 -5.840 12.196 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -0.983 -8.274 13.062 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -0.139 -8.073 11.539 1.00 0.00 H new ATOM 0 HG2 PRO A 41 0.823 -9.261 14.091 1.00 0.00 H new ATOM 0 HG3 PRO A 41 1.249 -9.672 12.441 1.00 0.00 H new ATOM 0 HD2 PRO A 41 2.911 -8.244 14.058 1.00 0.00 H new ATOM 0 HD3 PRO A 41 2.898 -8.037 12.318 1.00 0.00 H new ATOM 620 N SER A 42 -0.229 -6.312 15.366 1.00 0.00 N ATOM 621 CA SER A 42 -1.074 -5.942 16.501 1.00 0.00 C ATOM 622 C SER A 42 -1.172 -4.413 16.645 1.00 0.00 C ATOM 623 O SER A 42 -2.219 -3.871 17.027 1.00 0.00 O ATOM 624 CB SER A 42 -0.535 -6.575 17.801 1.00 0.00 C ATOM 625 OG SER A 42 -1.387 -6.320 18.916 1.00 0.00 O ATOM 0 H SER A 42 0.634 -6.792 15.621 1.00 0.00 H new ATOM 0 HA SER A 42 -2.077 -6.326 16.315 1.00 0.00 H new ATOM 0 HB2 SER A 42 -0.431 -7.651 17.664 1.00 0.00 H new ATOM 0 HB3 SER A 42 0.460 -6.183 18.009 1.00 0.00 H new ATOM 0 HG SER A 42 -1.011 -6.739 19.718 1.00 0.00 H new ATOM 631 N GLN A 43 -0.107 -3.724 16.279 1.00 0.00 N ATOM 632 CA GLN A 43 -0.046 -2.283 16.443 1.00 0.00 C ATOM 633 C GLN A 43 -0.199 -1.583 15.108 1.00 0.00 C ATOM 634 O GLN A 43 0.051 -0.386 14.977 1.00 0.00 O ATOM 635 CB GLN A 43 1.267 -1.893 17.132 1.00 0.00 C ATOM 636 CG GLN A 43 2.517 -2.266 16.403 1.00 0.00 C ATOM 637 CD GLN A 43 3.551 -2.867 17.319 1.00 0.00 C ATOM 638 OE1 GLN A 43 3.101 -3.685 18.245 1.00 0.00 O flip ATOM 639 NE2 GLN A 43 4.755 -2.679 17.119 1.00 0.00 N flip ATOM 0 H GLN A 43 0.728 -4.139 15.866 1.00 0.00 H new ATOM 0 HA GLN A 43 -0.874 -1.962 17.075 1.00 0.00 H new ATOM 0 HB2 GLN A 43 1.268 -0.814 17.288 1.00 0.00 H new ATOM 0 HB3 GLN A 43 1.291 -2.358 18.118 1.00 0.00 H new ATOM 0 HG2 GLN A 43 2.276 -2.977 15.613 1.00 0.00 H new ATOM 0 HG3 GLN A 43 2.932 -1.381 15.920 1.00 0.00 H new ATOM 0 HE21 GLN A 43 5.056 -2.034 16.388 1.00 0.00 H new ATOM 0 HE22 GLN A 43 5.448 -3.169 17.684 1.00 0.00 H new ATOM 648 N ASN A 44 -0.627 -2.326 14.125 1.00 0.00 N ATOM 649 CA ASN A 44 -0.803 -1.780 12.802 1.00 0.00 C ATOM 650 C ASN A 44 -2.235 -1.709 12.373 1.00 0.00 C ATOM 651 O ASN A 44 -3.019 -2.577 12.697 1.00 0.00 O ATOM 652 CB ASN A 44 0.069 -2.477 11.793 1.00 0.00 C ATOM 653 CG ASN A 44 1.426 -1.796 11.730 1.00 0.00 C ATOM 654 OD1 ASN A 44 1.642 -0.866 10.941 1.00 0.00 O ATOM 655 ND2 ASN A 44 2.323 -2.209 12.578 1.00 0.00 N ATOM 0 H ASN A 44 -0.862 -3.315 14.213 1.00 0.00 H new ATOM 0 HA ASN A 44 -0.470 -0.743 12.854 1.00 0.00 H new ATOM 0 HB2 ASN A 44 0.190 -3.525 12.065 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -0.405 -2.455 10.812 1.00 0.00 H new ATOM 0 HD21 ASN A 44 3.240 -1.763 12.608 1.00 0.00 H new ATOM 0 HD22 ASN A 44 2.109 -2.978 13.213 1.00 0.00 H new ATOM 662 N PRO A 45 -2.585 -0.677 11.589 1.00 0.00 N ATOM 663 CA PRO A 45 -3.970 -0.374 11.233 1.00 0.00 C ATOM 664 C PRO A 45 -4.624 -1.453 10.385 1.00 0.00 C ATOM 665 O PRO A 45 -5.668 -1.976 10.730 1.00 0.00 O ATOM 666 CB PRO A 45 -3.846 0.934 10.445 1.00 0.00 C ATOM 667 CG PRO A 45 -2.458 0.925 9.912 1.00 0.00 C ATOM 668 CD PRO A 45 -1.642 0.279 10.964 1.00 0.00 C ATOM 0 HA PRO A 45 -4.607 -0.307 12.115 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -4.579 0.982 9.640 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -4.019 1.799 11.085 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -2.400 0.373 8.974 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -2.108 1.937 9.708 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -0.774 -0.229 10.544 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -1.268 1.005 11.686 1.00 0.00 H new ATOM 676 N PHE A 46 -3.999 -1.809 9.298 1.00 0.00 N ATOM 677 CA PHE A 46 -4.589 -2.782 8.401 1.00 0.00 C ATOM 678 C PHE A 46 -3.965 -4.128 8.599 1.00 0.00 C ATOM 679 O PHE A 46 -4.342 -5.109 7.970 1.00 0.00 O ATOM 680 CB PHE A 46 -4.491 -2.301 6.948 1.00 0.00 C ATOM 681 CG PHE A 46 -5.049 -0.919 6.789 1.00 0.00 C ATOM 682 CD1 PHE A 46 -6.407 -0.712 6.616 1.00 0.00 C ATOM 683 CD2 PHE A 46 -4.212 0.179 6.858 1.00 0.00 C ATOM 684 CE1 PHE A 46 -6.913 0.569 6.518 1.00 0.00 C ATOM 685 CE2 PHE A 46 -4.713 1.450 6.756 1.00 0.00 C ATOM 686 CZ PHE A 46 -6.056 1.647 6.590 1.00 0.00 C ATOM 0 H PHE A 46 -3.090 -1.449 9.007 1.00 0.00 H new ATOM 0 HA PHE A 46 -5.649 -2.884 8.635 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -3.449 -2.313 6.629 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -5.031 -2.990 6.298 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -7.075 -1.558 6.557 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -3.151 0.033 6.994 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -7.973 0.726 6.386 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -4.046 2.298 6.807 1.00 0.00 H new ATOM 0 HZ PHE A 46 -6.447 2.651 6.515 1.00 0.00 H new ATOM 696 N SER A 47 -3.054 -4.181 9.518 1.00 0.00 N ATOM 697 CA SER A 47 -2.380 -5.397 9.782 1.00 0.00 C ATOM 698 C SER A 47 -2.943 -6.031 11.042 1.00 0.00 C ATOM 699 O SER A 47 -2.682 -7.179 11.337 1.00 0.00 O ATOM 700 CB SER A 47 -0.887 -5.162 9.893 1.00 0.00 C ATOM 701 OG SER A 47 -0.154 -6.369 9.750 1.00 0.00 O ATOM 0 H SER A 47 -2.764 -3.391 10.095 1.00 0.00 H new ATOM 0 HA SER A 47 -2.540 -6.087 8.954 1.00 0.00 H new ATOM 0 HB2 SER A 47 -0.572 -4.452 9.128 1.00 0.00 H new ATOM 0 HB3 SER A 47 -0.660 -4.711 10.859 1.00 0.00 H new ATOM 0 HG SER A 47 -0.763 -7.094 9.497 1.00 0.00 H new ATOM 707 N GLU A 48 -3.754 -5.284 11.768 1.00 0.00 N ATOM 708 CA GLU A 48 -4.357 -5.825 12.978 1.00 0.00 C ATOM 709 C GLU A 48 -5.406 -6.847 12.587 1.00 0.00 C ATOM 710 O GLU A 48 -5.654 -7.832 13.280 1.00 0.00 O ATOM 711 CB GLU A 48 -4.987 -4.730 13.856 1.00 0.00 C ATOM 712 CG GLU A 48 -6.070 -3.907 13.167 1.00 0.00 C ATOM 713 CD GLU A 48 -6.755 -2.937 14.090 1.00 0.00 C ATOM 714 OE1 GLU A 48 -6.170 -1.904 14.432 1.00 0.00 O ATOM 715 OE2 GLU A 48 -7.918 -3.186 14.483 1.00 0.00 O ATOM 0 H GLU A 48 -4.008 -4.321 11.550 1.00 0.00 H new ATOM 0 HA GLU A 48 -3.571 -6.293 13.571 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -5.413 -5.196 14.744 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -4.199 -4.058 14.196 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -5.626 -3.357 12.337 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -6.814 -4.581 12.742 1.00 0.00 H new ATOM 722 N ASP A 49 -5.977 -6.600 11.434 1.00 0.00 N ATOM 723 CA ASP A 49 -7.023 -7.410 10.883 1.00 0.00 C ATOM 724 C ASP A 49 -6.427 -8.604 10.180 1.00 0.00 C ATOM 725 O ASP A 49 -6.940 -9.713 10.276 1.00 0.00 O ATOM 726 CB ASP A 49 -7.834 -6.575 9.893 1.00 0.00 C ATOM 727 CG ASP A 49 -9.028 -7.310 9.332 1.00 0.00 C ATOM 728 OD1 ASP A 49 -10.083 -7.314 10.000 1.00 0.00 O ATOM 729 OD2 ASP A 49 -8.944 -7.847 8.198 1.00 0.00 O ATOM 0 H ASP A 49 -5.718 -5.810 10.843 1.00 0.00 H new ATOM 0 HA ASP A 49 -7.675 -7.761 11.683 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -8.175 -5.666 10.388 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -7.187 -6.267 9.072 1.00 0.00 H new ATOM 734 N LYS A 50 -5.315 -8.377 9.509 1.00 0.00 N ATOM 735 CA LYS A 50 -4.667 -9.407 8.721 1.00 0.00 C ATOM 736 C LYS A 50 -3.215 -9.463 9.137 1.00 0.00 C ATOM 737 O LYS A 50 -2.464 -8.513 8.917 1.00 0.00 O ATOM 738 CB LYS A 50 -4.747 -9.054 7.238 1.00 0.00 C ATOM 739 CG LYS A 50 -6.060 -8.397 6.855 1.00 0.00 C ATOM 740 CD LYS A 50 -6.105 -7.992 5.411 1.00 0.00 C ATOM 741 CE LYS A 50 -7.223 -6.989 5.169 1.00 0.00 C ATOM 742 NZ LYS A 50 -8.556 -7.475 5.599 1.00 0.00 N ATOM 0 H LYS A 50 -4.836 -7.476 9.494 1.00 0.00 H new ATOM 0 HA LYS A 50 -5.157 -10.367 8.883 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -3.925 -8.385 6.985 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -4.614 -9.960 6.647 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -6.880 -9.085 7.061 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -6.218 -7.518 7.480 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -5.149 -7.556 5.120 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -6.257 -8.872 4.786 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -6.993 -6.065 5.700 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -7.259 -6.746 4.107 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -9.276 -6.758 5.375 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -8.781 -8.359 5.100 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -8.548 -7.649 6.624 1.00 0.00 H new ATOM 756 N THR A 51 -2.812 -10.572 9.669 1.00 0.00 N ATOM 757 CA THR A 51 -1.495 -10.716 10.259 1.00 0.00 C ATOM 758 C THR A 51 -0.414 -11.036 9.233 1.00 0.00 C ATOM 759 O THR A 51 0.742 -11.314 9.577 1.00 0.00 O ATOM 760 CB THR A 51 -1.531 -11.749 11.395 1.00 0.00 C ATOM 761 OG1 THR A 51 -2.259 -12.926 10.964 1.00 0.00 O ATOM 762 CG2 THR A 51 -2.217 -11.154 12.607 1.00 0.00 C ATOM 0 H THR A 51 -3.382 -11.417 9.713 1.00 0.00 H new ATOM 0 HA THR A 51 -1.220 -9.749 10.679 1.00 0.00 H new ATOM 0 HB THR A 51 -0.509 -12.027 11.655 1.00 0.00 H new ATOM 0 HG1 THR A 51 -2.278 -13.583 11.691 1.00 0.00 H new ATOM 0 HG21 THR A 51 -2.240 -11.891 13.410 1.00 0.00 H new ATOM 0 HG22 THR A 51 -1.669 -10.272 12.939 1.00 0.00 H new ATOM 0 HG23 THR A 51 -3.236 -10.870 12.345 1.00 0.00 H new ATOM 770 N ASP A 52 -0.793 -10.966 7.991 1.00 0.00 N ATOM 771 CA ASP A 52 0.102 -11.167 6.889 1.00 0.00 C ATOM 772 C ASP A 52 0.830 -9.870 6.631 1.00 0.00 C ATOM 773 O ASP A 52 0.233 -8.894 6.133 1.00 0.00 O ATOM 774 CB ASP A 52 -0.686 -11.580 5.649 1.00 0.00 C ATOM 775 CG ASP A 52 0.180 -11.735 4.410 1.00 0.00 C ATOM 776 OD1 ASP A 52 0.410 -10.745 3.695 1.00 0.00 O ATOM 777 OD2 ASP A 52 0.613 -12.858 4.104 1.00 0.00 O ATOM 0 H ASP A 52 -1.752 -10.763 7.710 1.00 0.00 H new ATOM 0 HA ASP A 52 0.816 -11.957 7.122 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -1.195 -12.523 5.848 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -1.458 -10.836 5.453 1.00 0.00 H new ATOM 782 N LYS A 53 2.080 -9.826 7.011 1.00 0.00 N ATOM 783 CA LYS A 53 2.868 -8.644 6.842 1.00 0.00 C ATOM 784 C LYS A 53 3.279 -8.426 5.401 1.00 0.00 C ATOM 785 O LYS A 53 3.275 -9.343 4.579 1.00 0.00 O ATOM 786 CB LYS A 53 4.063 -8.610 7.795 1.00 0.00 C ATOM 787 CG LYS A 53 3.638 -8.511 9.249 1.00 0.00 C ATOM 788 CD LYS A 53 4.805 -8.283 10.192 1.00 0.00 C ATOM 789 CE LYS A 53 5.767 -9.460 10.279 1.00 0.00 C ATOM 790 NZ LYS A 53 6.801 -9.240 11.320 1.00 0.00 N ATOM 0 H LYS A 53 2.574 -10.606 7.444 1.00 0.00 H new ATOM 0 HA LYS A 53 2.228 -7.803 7.110 1.00 0.00 H new ATOM 0 HB2 LYS A 53 4.663 -9.509 7.655 1.00 0.00 H new ATOM 0 HB3 LYS A 53 4.699 -7.761 7.546 1.00 0.00 H new ATOM 0 HG2 LYS A 53 2.924 -7.695 9.359 1.00 0.00 H new ATOM 0 HG3 LYS A 53 3.121 -9.427 9.534 1.00 0.00 H new ATOM 0 HD2 LYS A 53 5.355 -7.400 9.867 1.00 0.00 H new ATOM 0 HD3 LYS A 53 4.418 -8.068 11.188 1.00 0.00 H new ATOM 0 HE2 LYS A 53 5.211 -10.370 10.503 1.00 0.00 H new ATOM 0 HE3 LYS A 53 6.248 -9.611 9.313 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 7.409 -10.081 11.389 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 7.380 -8.414 11.065 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 6.340 -9.070 12.237 1.00 0.00 H new ATOM 804 N GLY A 54 3.622 -7.219 5.124 1.00 0.00 N ATOM 805 CA GLY A 54 3.938 -6.782 3.792 1.00 0.00 C ATOM 806 C GLY A 54 3.482 -5.376 3.682 1.00 0.00 C ATOM 807 O GLY A 54 2.614 -5.012 4.402 1.00 0.00 O ATOM 0 H GLY A 54 3.695 -6.483 5.826 1.00 0.00 H new ATOM 0 HA2 GLY A 54 5.009 -6.857 3.605 1.00 0.00 H new ATOM 0 HA3 GLY A 54 3.441 -7.409 3.052 1.00 0.00 H new ATOM 811 N ILE A 55 4.076 -4.595 2.842 1.00 0.00 N ATOM 812 CA ILE A 55 3.748 -3.186 2.721 1.00 0.00 C ATOM 813 C ILE A 55 2.318 -2.983 2.234 1.00 0.00 C ATOM 814 O ILE A 55 1.888 -3.580 1.256 1.00 0.00 O ATOM 815 CB ILE A 55 4.760 -2.439 1.795 1.00 0.00 C ATOM 816 CG1 ILE A 55 6.176 -2.600 2.346 1.00 0.00 C ATOM 817 CG2 ILE A 55 4.406 -0.954 1.679 1.00 0.00 C ATOM 818 CD1 ILE A 55 6.423 -1.881 3.624 1.00 0.00 C ATOM 0 H ILE A 55 4.812 -4.906 2.208 1.00 0.00 H new ATOM 0 HA ILE A 55 3.825 -2.754 3.719 1.00 0.00 H new ATOM 0 HB ILE A 55 4.706 -2.878 0.799 1.00 0.00 H new ATOM 0 HG12 ILE A 55 6.376 -3.661 2.496 1.00 0.00 H new ATOM 0 HG13 ILE A 55 6.886 -2.244 1.600 1.00 0.00 H new ATOM 0 HG21 ILE A 55 5.127 -0.458 1.029 1.00 0.00 H new ATOM 0 HG22 ILE A 55 3.406 -0.850 1.258 1.00 0.00 H new ATOM 0 HG23 ILE A 55 4.433 -0.495 2.667 1.00 0.00 H new ATOM 0 HD11 ILE A 55 7.452 -2.049 3.943 1.00 0.00 H new ATOM 0 HD12 ILE A 55 6.258 -0.813 3.479 1.00 0.00 H new ATOM 0 HD13 ILE A 55 5.741 -2.253 4.388 1.00 0.00 H new ATOM 830 N TYR A 56 1.591 -2.185 2.963 1.00 0.00 N ATOM 831 CA TYR A 56 0.248 -1.810 2.625 1.00 0.00 C ATOM 832 C TYR A 56 0.128 -0.328 2.704 1.00 0.00 C ATOM 833 O TYR A 56 0.912 0.327 3.412 1.00 0.00 O ATOM 834 CB TYR A 56 -0.788 -2.496 3.531 1.00 0.00 C ATOM 835 CG TYR A 56 -0.322 -2.641 4.951 1.00 0.00 C ATOM 836 CD1 TYR A 56 -0.377 -1.599 5.864 1.00 0.00 C ATOM 837 CD2 TYR A 56 0.231 -3.822 5.347 1.00 0.00 C ATOM 838 CE1 TYR A 56 0.108 -1.765 7.144 1.00 0.00 C ATOM 839 CE2 TYR A 56 0.724 -4.004 6.597 1.00 0.00 C ATOM 840 CZ TYR A 56 0.661 -2.970 7.506 1.00 0.00 C ATOM 841 OH TYR A 56 1.160 -3.130 8.763 1.00 0.00 O ATOM 0 H TYR A 56 1.925 -1.767 3.831 1.00 0.00 H new ATOM 0 HA TYR A 56 0.038 -2.143 1.609 1.00 0.00 H new ATOM 0 HB2 TYR A 56 -1.714 -1.921 3.515 1.00 0.00 H new ATOM 0 HB3 TYR A 56 -1.019 -3.482 3.128 1.00 0.00 H new ATOM 0 HD1 TYR A 56 -0.803 -0.651 5.571 1.00 0.00 H new ATOM 0 HD2 TYR A 56 0.278 -4.639 4.643 1.00 0.00 H new ATOM 0 HE1 TYR A 56 0.054 -0.955 7.856 1.00 0.00 H new ATOM 0 HE2 TYR A 56 1.162 -4.950 6.878 1.00 0.00 H new ATOM 0 HH TYR A 56 1.490 -2.269 9.096 1.00 0.00 H new ATOM 851 N VAL A 57 -0.808 0.187 1.986 1.00 0.00 N ATOM 852 CA VAL A 57 -1.051 1.593 1.911 1.00 0.00 C ATOM 853 C VAL A 57 -1.939 2.053 3.050 1.00 0.00 C ATOM 854 O VAL A 57 -2.975 1.451 3.318 1.00 0.00 O ATOM 855 CB VAL A 57 -1.677 1.951 0.551 1.00 0.00 C ATOM 856 CG1 VAL A 57 -2.022 3.406 0.454 1.00 0.00 C ATOM 857 CG2 VAL A 57 -0.733 1.573 -0.549 1.00 0.00 C ATOM 0 H VAL A 57 -1.446 -0.370 1.417 1.00 0.00 H new ATOM 0 HA VAL A 57 -0.097 2.113 2.003 1.00 0.00 H new ATOM 0 HB VAL A 57 -2.607 1.391 0.454 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -2.461 3.612 -0.522 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -2.738 3.663 1.235 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -1.119 4.003 0.579 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -1.176 1.826 -1.512 1.00 0.00 H new ATOM 0 HG22 VAL A 57 0.204 2.116 -0.427 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -0.539 0.501 -0.510 1.00 0.00 H new ATOM 867 N THR A 58 -1.521 3.094 3.723 1.00 0.00 N ATOM 868 CA THR A 58 -2.270 3.639 4.816 1.00 0.00 C ATOM 869 C THR A 58 -2.917 4.961 4.436 1.00 0.00 C ATOM 870 O THR A 58 -3.873 5.404 5.074 1.00 0.00 O ATOM 871 CB THR A 58 -1.372 3.823 6.019 1.00 0.00 C ATOM 872 OG1 THR A 58 -0.157 4.456 5.587 1.00 0.00 O ATOM 873 CG2 THR A 58 -1.069 2.480 6.667 1.00 0.00 C ATOM 0 H THR A 58 -0.650 3.586 3.525 1.00 0.00 H new ATOM 0 HA THR A 58 -3.065 2.936 5.066 1.00 0.00 H new ATOM 0 HB THR A 58 -1.871 4.447 6.761 1.00 0.00 H new ATOM 0 HG1 THR A 58 0.437 4.584 6.356 1.00 0.00 H new ATOM 0 HG21 THR A 58 -0.422 2.631 7.531 1.00 0.00 H new ATOM 0 HG22 THR A 58 -2.000 2.013 6.988 1.00 0.00 H new ATOM 0 HG23 THR A 58 -0.568 1.833 5.947 1.00 0.00 H new ATOM 881 N ARG A 59 -2.403 5.593 3.403 1.00 0.00 N ATOM 882 CA ARG A 59 -2.991 6.815 2.935 1.00 0.00 C ATOM 883 C ARG A 59 -2.911 6.831 1.460 1.00 0.00 C ATOM 884 O ARG A 59 -1.938 6.392 0.911 1.00 0.00 O ATOM 885 CB ARG A 59 -2.227 8.020 3.396 1.00 0.00 C ATOM 886 CG ARG A 59 -3.102 9.259 3.493 1.00 0.00 C ATOM 887 CD ARG A 59 -2.304 10.533 3.677 1.00 0.00 C ATOM 888 NE ARG A 59 -3.200 11.685 3.844 1.00 0.00 N ATOM 889 CZ ARG A 59 -3.780 12.385 2.845 1.00 0.00 C ATOM 890 NH1 ARG A 59 -3.464 12.150 1.570 1.00 0.00 N ATOM 891 NH2 ARG A 59 -4.649 13.336 3.127 1.00 0.00 N ATOM 0 H ARG A 59 -1.586 5.279 2.879 1.00 0.00 H new ATOM 0 HA ARG A 59 -4.011 6.854 3.317 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -1.783 7.815 4.370 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -1.405 8.212 2.706 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -3.706 9.342 2.590 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -3.792 9.145 4.329 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -1.656 10.440 4.549 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -1.657 10.691 2.814 1.00 0.00 H new ATOM 0 HE ARG A 59 -3.402 11.983 4.799 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -2.776 11.433 1.339 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -3.911 12.687 0.827 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -4.882 13.542 4.098 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -5.088 13.866 2.374 1.00 0.00 H new ATOM 905 N VAL A 60 -3.900 7.348 0.840 1.00 0.00 N ATOM 906 CA VAL A 60 -3.918 7.539 -0.576 1.00 0.00 C ATOM 907 C VAL A 60 -4.288 8.971 -0.809 1.00 0.00 C ATOM 908 O VAL A 60 -5.008 9.557 0.008 1.00 0.00 O ATOM 909 CB VAL A 60 -4.898 6.559 -1.323 1.00 0.00 C ATOM 910 CG1 VAL A 60 -5.126 6.953 -2.751 1.00 0.00 C ATOM 911 CG2 VAL A 60 -4.360 5.160 -1.275 1.00 0.00 C ATOM 0 H VAL A 60 -4.750 7.663 1.308 1.00 0.00 H new ATOM 0 HA VAL A 60 -2.936 7.309 -0.990 1.00 0.00 H new ATOM 0 HB VAL A 60 -5.857 6.614 -0.807 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -5.809 6.244 -3.219 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -5.559 7.953 -2.788 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -4.176 6.949 -3.286 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -5.044 4.489 -1.794 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -3.384 5.129 -1.759 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -4.260 4.844 -0.237 1.00 0.00 H new ATOM 921 N SER A 61 -3.721 9.560 -1.833 1.00 0.00 N ATOM 922 CA SER A 61 -4.022 10.901 -2.194 1.00 0.00 C ATOM 923 C SER A 61 -5.493 11.011 -2.492 1.00 0.00 C ATOM 924 O SER A 61 -6.024 10.253 -3.286 1.00 0.00 O ATOM 925 CB SER A 61 -3.219 11.299 -3.419 1.00 0.00 C ATOM 926 OG SER A 61 -3.289 12.694 -3.653 1.00 0.00 O ATOM 0 H SER A 61 -3.034 9.109 -2.437 1.00 0.00 H new ATOM 0 HA SER A 61 -3.763 11.567 -1.371 1.00 0.00 H new ATOM 0 HB2 SER A 61 -2.179 11.003 -3.286 1.00 0.00 H new ATOM 0 HB3 SER A 61 -3.594 10.763 -4.291 1.00 0.00 H new ATOM 0 HG SER A 61 -2.461 12.996 -4.082 1.00 0.00 H new ATOM 932 N GLU A 62 -6.118 11.940 -1.832 1.00 0.00 N ATOM 933 CA GLU A 62 -7.525 12.248 -1.978 1.00 0.00 C ATOM 934 C GLU A 62 -7.832 12.726 -3.395 1.00 0.00 C ATOM 935 O GLU A 62 -8.958 12.582 -3.889 1.00 0.00 O ATOM 936 CB GLU A 62 -7.915 13.343 -0.976 1.00 0.00 C ATOM 937 CG GLU A 62 -6.917 14.511 -0.921 1.00 0.00 C ATOM 938 CD GLU A 62 -5.795 14.297 0.090 1.00 0.00 C ATOM 939 OE1 GLU A 62 -4.766 13.659 -0.249 1.00 0.00 O ATOM 940 OE2 GLU A 62 -5.925 14.731 1.257 1.00 0.00 O ATOM 0 H GLU A 62 -5.650 12.533 -1.147 1.00 0.00 H new ATOM 0 HA GLU A 62 -8.100 11.342 -1.784 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -8.900 13.730 -1.238 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -8.000 12.902 0.017 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -6.483 14.656 -1.910 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -7.453 15.427 -0.671 1.00 0.00 H new ATOM 947 N GLY A 63 -6.829 13.282 -4.020 1.00 0.00 N ATOM 948 CA GLY A 63 -6.959 13.795 -5.347 1.00 0.00 C ATOM 949 C GLY A 63 -5.662 13.676 -6.093 1.00 0.00 C ATOM 950 O GLY A 63 -5.122 14.667 -6.615 1.00 0.00 O ATOM 0 H GLY A 63 -5.898 13.390 -3.617 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -7.740 13.251 -5.877 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -7.268 14.840 -5.309 1.00 0.00 H new ATOM 954 N GLY A 64 -5.119 12.486 -6.099 1.00 0.00 N ATOM 955 CA GLY A 64 -3.899 12.256 -6.793 1.00 0.00 C ATOM 956 C GLY A 64 -3.935 11.009 -7.648 1.00 0.00 C ATOM 957 O GLY A 64 -4.961 10.325 -7.715 1.00 0.00 O ATOM 0 H GLY A 64 -5.509 11.669 -5.629 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -3.678 13.117 -7.424 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -3.086 12.172 -6.071 1.00 0.00 H new ATOM 961 N PRO A 65 -2.777 10.632 -8.215 1.00 0.00 N ATOM 962 CA PRO A 65 -2.647 9.531 -9.189 1.00 0.00 C ATOM 963 C PRO A 65 -2.993 8.198 -8.571 1.00 0.00 C ATOM 964 O PRO A 65 -3.450 7.283 -9.241 1.00 0.00 O ATOM 965 CB PRO A 65 -1.157 9.557 -9.549 1.00 0.00 C ATOM 966 CG PRO A 65 -0.502 10.230 -8.393 1.00 0.00 C ATOM 967 CD PRO A 65 -1.487 11.228 -7.906 1.00 0.00 C ATOM 0 HA PRO A 65 -3.315 9.654 -10.041 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -0.767 8.550 -9.694 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -0.983 10.103 -10.476 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -0.251 9.513 -7.612 1.00 0.00 H new ATOM 0 HG3 PRO A 65 0.428 10.711 -8.695 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -1.377 11.408 -6.837 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -1.362 12.189 -8.406 1.00 0.00 H new ATOM 975 N ALA A 66 -2.779 8.115 -7.281 1.00 0.00 N ATOM 976 CA ALA A 66 -3.048 6.938 -6.524 1.00 0.00 C ATOM 977 C ALA A 66 -4.531 6.565 -6.600 1.00 0.00 C ATOM 978 O ALA A 66 -4.871 5.482 -7.093 1.00 0.00 O ATOM 979 CB ALA A 66 -2.574 7.138 -5.101 1.00 0.00 C ATOM 0 H ALA A 66 -2.405 8.884 -6.725 1.00 0.00 H new ATOM 0 HA ALA A 66 -2.499 6.097 -6.947 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -2.779 6.239 -4.520 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -1.502 7.335 -5.099 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -3.099 7.984 -4.658 1.00 0.00 H new ATOM 985 N GLU A 67 -5.411 7.469 -6.172 1.00 0.00 N ATOM 986 CA GLU A 67 -6.845 7.203 -6.213 1.00 0.00 C ATOM 987 C GLU A 67 -7.370 7.163 -7.656 1.00 0.00 C ATOM 988 O GLU A 67 -8.314 6.433 -7.954 1.00 0.00 O ATOM 989 CB GLU A 67 -7.613 8.203 -5.327 1.00 0.00 C ATOM 990 CG GLU A 67 -7.632 9.653 -5.807 1.00 0.00 C ATOM 991 CD GLU A 67 -8.831 9.966 -6.680 1.00 0.00 C ATOM 992 OE1 GLU A 67 -9.966 9.582 -6.315 1.00 0.00 O ATOM 993 OE2 GLU A 67 -8.673 10.586 -7.740 1.00 0.00 O ATOM 0 H GLU A 67 -5.158 8.383 -5.797 1.00 0.00 H new ATOM 0 HA GLU A 67 -7.021 6.210 -5.798 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -8.643 7.859 -5.236 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -7.179 8.179 -4.327 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -7.634 10.317 -4.943 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -6.718 9.858 -6.365 1.00 0.00 H new ATOM 1000 N ILE A 68 -6.746 7.946 -8.538 1.00 0.00 N ATOM 1001 CA ILE A 68 -7.078 7.952 -9.963 1.00 0.00 C ATOM 1002 C ILE A 68 -6.869 6.565 -10.568 1.00 0.00 C ATOM 1003 O ILE A 68 -7.764 6.012 -11.223 1.00 0.00 O ATOM 1004 CB ILE A 68 -6.226 9.017 -10.741 1.00 0.00 C ATOM 1005 CG1 ILE A 68 -6.729 10.438 -10.468 1.00 0.00 C ATOM 1006 CG2 ILE A 68 -6.172 8.747 -12.252 1.00 0.00 C ATOM 1007 CD1 ILE A 68 -8.134 10.714 -10.981 1.00 0.00 C ATOM 0 H ILE A 68 -5.998 8.592 -8.285 1.00 0.00 H new ATOM 0 HA ILE A 68 -8.129 8.223 -10.059 1.00 0.00 H new ATOM 0 HB ILE A 68 -5.208 8.927 -10.363 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -6.705 10.619 -9.393 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -6.041 11.149 -10.926 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -5.570 9.515 -12.738 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -5.726 7.769 -12.431 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -7.182 8.766 -12.661 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -8.412 11.742 -10.746 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -8.162 10.568 -12.061 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -8.836 10.030 -10.504 1.00 0.00 H new ATOM 1019 N ALA A 69 -5.716 5.998 -10.305 1.00 0.00 N ATOM 1020 CA ALA A 69 -5.364 4.715 -10.857 1.00 0.00 C ATOM 1021 C ALA A 69 -6.171 3.609 -10.210 1.00 0.00 C ATOM 1022 O ALA A 69 -6.709 2.743 -10.890 1.00 0.00 O ATOM 1023 CB ALA A 69 -3.899 4.469 -10.686 1.00 0.00 C ATOM 0 H ALA A 69 -5.001 6.411 -9.706 1.00 0.00 H new ATOM 0 HA ALA A 69 -5.597 4.720 -11.922 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -3.642 3.497 -11.106 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -3.337 5.247 -11.202 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -3.649 4.483 -9.625 1.00 0.00 H new ATOM 1029 N GLY A 70 -6.231 3.623 -8.909 1.00 0.00 N ATOM 1030 CA GLY A 70 -7.058 2.664 -8.228 1.00 0.00 C ATOM 1031 C GLY A 70 -6.475 2.177 -6.938 1.00 0.00 C ATOM 1032 O GLY A 70 -6.821 1.105 -6.467 1.00 0.00 O ATOM 0 H GLY A 70 -5.728 4.274 -8.306 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -8.032 3.112 -8.030 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -7.227 1.811 -8.885 1.00 0.00 H new ATOM 1036 N LEU A 71 -5.594 2.948 -6.365 1.00 0.00 N ATOM 1037 CA LEU A 71 -4.991 2.597 -5.105 1.00 0.00 C ATOM 1038 C LEU A 71 -5.869 3.063 -3.984 1.00 0.00 C ATOM 1039 O LEU A 71 -6.215 4.237 -3.924 1.00 0.00 O ATOM 1040 CB LEU A 71 -3.578 3.203 -5.021 1.00 0.00 C ATOM 1041 CG LEU A 71 -2.740 2.962 -3.767 1.00 0.00 C ATOM 1042 CD1 LEU A 71 -3.027 1.573 -3.199 1.00 0.00 C ATOM 1043 CD2 LEU A 71 -1.315 2.951 -4.219 1.00 0.00 C ATOM 0 H LEU A 71 -5.273 3.834 -6.754 1.00 0.00 H new ATOM 0 HA LEU A 71 -4.892 1.515 -5.023 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -3.009 2.830 -5.873 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -3.675 4.281 -5.150 1.00 0.00 H new ATOM 0 HG LEU A 71 -2.957 3.721 -3.015 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -2.423 1.413 -2.305 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -4.083 1.496 -2.942 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -2.779 0.817 -3.944 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -0.663 2.782 -3.362 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -1.171 2.154 -4.948 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -1.071 3.910 -4.677 1.00 0.00 H new ATOM 1055 N GLN A 72 -6.271 2.148 -3.137 1.00 0.00 N ATOM 1056 CA GLN A 72 -7.099 2.456 -2.017 1.00 0.00 C ATOM 1057 C GLN A 72 -6.336 2.178 -0.749 1.00 0.00 C ATOM 1058 O GLN A 72 -5.384 1.398 -0.723 1.00 0.00 O ATOM 1059 CB GLN A 72 -8.409 1.639 -2.030 1.00 0.00 C ATOM 1060 CG GLN A 72 -9.267 1.835 -3.270 1.00 0.00 C ATOM 1061 CD GLN A 72 -9.749 3.263 -3.440 1.00 0.00 C ATOM 1062 OE1 GLN A 72 -8.927 4.078 -4.003 1.00 0.00 O flip ATOM 1063 NE2 GLN A 72 -10.828 3.642 -2.983 1.00 0.00 N flip ATOM 0 H GLN A 72 -6.025 1.161 -3.214 1.00 0.00 H new ATOM 0 HA GLN A 72 -7.370 3.510 -2.072 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -8.163 0.581 -1.939 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -8.997 1.906 -1.152 1.00 0.00 H new ATOM 0 HG2 GLN A 72 -8.694 1.544 -4.151 1.00 0.00 H new ATOM 0 HG3 GLN A 72 -10.129 1.171 -3.217 1.00 0.00 H new ATOM 0 HE21 GLN A 72 -11.459 2.972 -2.542 1.00 0.00 H new ATOM 0 HE22 GLN A 72 -11.091 4.626 -3.045 1.00 0.00 H new ATOM 1072 N ILE A 73 -6.708 2.855 0.264 1.00 0.00 N ATOM 1073 CA ILE A 73 -6.126 2.667 1.567 1.00 0.00 C ATOM 1074 C ILE A 73 -6.457 1.263 2.097 1.00 0.00 C ATOM 1075 O ILE A 73 -7.623 0.884 2.164 1.00 0.00 O ATOM 1076 CB ILE A 73 -6.640 3.742 2.547 1.00 0.00 C ATOM 1077 CG1 ILE A 73 -6.246 5.139 2.048 1.00 0.00 C ATOM 1078 CG2 ILE A 73 -6.113 3.493 3.934 1.00 0.00 C ATOM 1079 CD1 ILE A 73 -6.634 6.270 2.971 1.00 0.00 C ATOM 0 H ILE A 73 -7.434 3.570 0.231 1.00 0.00 H new ATOM 0 HA ILE A 73 -5.044 2.765 1.482 1.00 0.00 H new ATOM 0 HB ILE A 73 -7.728 3.687 2.591 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -5.167 5.165 1.897 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -6.708 5.307 1.075 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -6.488 4.262 4.609 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -6.446 2.514 4.279 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -5.023 3.522 3.920 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -6.316 7.218 2.538 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -7.716 6.276 3.104 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -6.150 6.133 3.938 1.00 0.00 H new ATOM 1091 N GLY A 74 -5.435 0.505 2.442 1.00 0.00 N ATOM 1092 CA GLY A 74 -5.633 -0.831 2.942 1.00 0.00 C ATOM 1093 C GLY A 74 -5.101 -1.874 1.980 1.00 0.00 C ATOM 1094 O GLY A 74 -4.914 -3.035 2.359 1.00 0.00 O ATOM 0 H GLY A 74 -4.459 0.797 2.383 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -5.134 -0.937 3.905 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -6.696 -1.002 3.113 1.00 0.00 H new ATOM 1098 N ASP A 75 -4.844 -1.454 0.737 1.00 0.00 N ATOM 1099 CA ASP A 75 -4.300 -2.350 -0.282 1.00 0.00 C ATOM 1100 C ASP A 75 -2.883 -2.753 0.067 1.00 0.00 C ATOM 1101 O ASP A 75 -2.040 -1.903 0.417 1.00 0.00 O ATOM 1102 CB ASP A 75 -4.317 -1.729 -1.696 1.00 0.00 C ATOM 1103 CG ASP A 75 -5.694 -1.573 -2.329 1.00 0.00 C ATOM 1104 OD1 ASP A 75 -6.520 -2.517 -2.305 1.00 0.00 O ATOM 1105 OD2 ASP A 75 -5.952 -0.519 -2.926 1.00 0.00 O ATOM 0 H ASP A 75 -5.005 -0.500 0.415 1.00 0.00 H new ATOM 0 HA ASP A 75 -4.947 -3.227 -0.296 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -3.845 -0.747 -1.648 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -3.703 -2.346 -2.352 1.00 0.00 H new ATOM 1110 N LYS A 76 -2.631 -4.037 0.010 1.00 0.00 N ATOM 1111 CA LYS A 76 -1.320 -4.598 0.265 1.00 0.00 C ATOM 1112 C LYS A 76 -0.585 -4.713 -1.044 1.00 0.00 C ATOM 1113 O LYS A 76 -1.100 -5.293 -1.993 1.00 0.00 O ATOM 1114 CB LYS A 76 -1.451 -5.971 0.933 1.00 0.00 C ATOM 1115 CG LYS A 76 -1.904 -5.920 2.390 1.00 0.00 C ATOM 1116 CD LYS A 76 -2.372 -7.284 2.902 1.00 0.00 C ATOM 1117 CE LYS A 76 -1.336 -8.390 2.732 1.00 0.00 C ATOM 1118 NZ LYS A 76 -0.108 -8.176 3.535 1.00 0.00 N ATOM 0 H LYS A 76 -3.339 -4.735 -0.218 1.00 0.00 H new ATOM 0 HA LYS A 76 -0.763 -3.949 0.941 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -2.161 -6.572 0.365 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -0.489 -6.480 0.881 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -1.082 -5.564 3.011 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -2.715 -5.199 2.491 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -2.629 -7.198 3.958 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -3.283 -7.567 2.375 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -1.784 -9.343 3.014 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -1.064 -8.464 1.679 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 0.539 -8.979 3.400 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 0.359 -7.299 3.228 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -0.360 -8.100 4.541 1.00 0.00 H new ATOM 1132 N ILE A 77 0.595 -4.179 -1.112 1.00 0.00 N ATOM 1133 CA ILE A 77 1.307 -4.160 -2.356 1.00 0.00 C ATOM 1134 C ILE A 77 2.242 -5.360 -2.420 1.00 0.00 C ATOM 1135 O ILE A 77 3.030 -5.584 -1.511 1.00 0.00 O ATOM 1136 CB ILE A 77 2.152 -2.872 -2.591 1.00 0.00 C ATOM 1137 CG1 ILE A 77 1.413 -1.554 -2.286 1.00 0.00 C ATOM 1138 CG2 ILE A 77 2.598 -2.841 -4.023 1.00 0.00 C ATOM 1139 CD1 ILE A 77 1.375 -1.188 -0.833 1.00 0.00 C ATOM 0 H ILE A 77 1.085 -3.752 -0.326 1.00 0.00 H new ATOM 0 HA ILE A 77 0.545 -4.189 -3.135 1.00 0.00 H new ATOM 0 HB ILE A 77 2.987 -2.929 -1.893 1.00 0.00 H new ATOM 0 HG12 ILE A 77 1.892 -0.746 -2.839 1.00 0.00 H new ATOM 0 HG13 ILE A 77 0.391 -1.631 -2.656 1.00 0.00 H new ATOM 0 HG21 ILE A 77 3.191 -1.944 -4.200 1.00 0.00 H new ATOM 0 HG22 ILE A 77 3.203 -3.723 -4.235 1.00 0.00 H new ATOM 0 HG23 ILE A 77 1.725 -2.834 -4.676 1.00 0.00 H new ATOM 0 HD11 ILE A 77 0.837 -0.248 -0.708 1.00 0.00 H new ATOM 0 HD12 ILE A 77 0.868 -1.974 -0.273 1.00 0.00 H new ATOM 0 HD13 ILE A 77 2.393 -1.075 -0.459 1.00 0.00 H new ATOM 1151 N MET A 78 2.152 -6.119 -3.488 1.00 0.00 N ATOM 1152 CA MET A 78 2.984 -7.304 -3.657 1.00 0.00 C ATOM 1153 C MET A 78 4.119 -7.031 -4.646 1.00 0.00 C ATOM 1154 O MET A 78 5.159 -7.691 -4.616 1.00 0.00 O ATOM 1155 CB MET A 78 2.156 -8.494 -4.175 1.00 0.00 C ATOM 1156 CG MET A 78 0.987 -9.000 -3.300 1.00 0.00 C ATOM 1157 SD MET A 78 1.472 -9.759 -1.713 1.00 0.00 S ATOM 1158 CE MET A 78 1.636 -8.336 -0.634 1.00 0.00 C ATOM 0 H MET A 78 1.510 -5.941 -4.260 1.00 0.00 H new ATOM 0 HA MET A 78 3.398 -7.550 -2.679 1.00 0.00 H new ATOM 0 HB2 MET A 78 1.750 -8.220 -5.149 1.00 0.00 H new ATOM 0 HB3 MET A 78 2.837 -9.329 -4.338 1.00 0.00 H new ATOM 0 HG2 MET A 78 0.320 -8.163 -3.095 1.00 0.00 H new ATOM 0 HG3 MET A 78 0.415 -9.730 -3.873 1.00 0.00 H new ATOM 0 HE1 MET A 78 1.451 -8.638 0.397 1.00 0.00 H new ATOM 0 HE2 MET A 78 2.644 -7.930 -0.718 1.00 0.00 H new ATOM 0 HE3 MET A 78 0.913 -7.574 -0.925 1.00 0.00 H new ATOM 1168 N GLN A 79 3.946 -6.019 -5.467 1.00 0.00 N ATOM 1169 CA GLN A 79 4.854 -5.739 -6.567 1.00 0.00 C ATOM 1170 C GLN A 79 4.838 -4.232 -6.896 1.00 0.00 C ATOM 1171 O GLN A 79 3.781 -3.650 -7.025 1.00 0.00 O ATOM 1172 CB GLN A 79 4.397 -6.642 -7.738 1.00 0.00 C ATOM 1173 CG GLN A 79 5.016 -6.440 -9.110 1.00 0.00 C ATOM 1174 CD GLN A 79 6.497 -6.371 -9.107 1.00 0.00 C ATOM 1175 OE1 GLN A 79 6.997 -5.199 -9.216 1.00 0.00 O flip ATOM 1176 NE2 GLN A 79 7.181 -7.379 -9.140 1.00 0.00 N flip ATOM 0 H GLN A 79 3.169 -5.362 -5.394 1.00 0.00 H new ATOM 0 HA GLN A 79 5.894 -5.963 -6.329 1.00 0.00 H new ATOM 0 HB2 GLN A 79 4.577 -7.676 -7.445 1.00 0.00 H new ATOM 0 HB3 GLN A 79 3.319 -6.523 -7.843 1.00 0.00 H new ATOM 0 HG2 GLN A 79 4.703 -7.257 -9.761 1.00 0.00 H new ATOM 0 HG3 GLN A 79 4.622 -5.520 -9.542 1.00 0.00 H new ATOM 0 HE21 GLN A 79 6.743 -8.296 -9.049 1.00 0.00 H new ATOM 0 HE22 GLN A 79 8.191 -7.306 -9.258 1.00 0.00 H new ATOM 1185 N VAL A 80 6.017 -3.616 -6.979 1.00 0.00 N ATOM 1186 CA VAL A 80 6.173 -2.165 -7.231 1.00 0.00 C ATOM 1187 C VAL A 80 7.280 -1.922 -8.227 1.00 0.00 C ATOM 1188 O VAL A 80 8.432 -2.246 -7.969 1.00 0.00 O ATOM 1189 CB VAL A 80 6.556 -1.376 -5.919 1.00 0.00 C ATOM 1190 CG1 VAL A 80 7.055 0.052 -6.199 1.00 0.00 C ATOM 1191 CG2 VAL A 80 5.406 -1.320 -4.967 1.00 0.00 C ATOM 0 H VAL A 80 6.905 -4.106 -6.874 1.00 0.00 H new ATOM 0 HA VAL A 80 5.212 -1.813 -7.607 1.00 0.00 H new ATOM 0 HB VAL A 80 7.378 -1.933 -5.469 1.00 0.00 H new ATOM 0 HG11 VAL A 80 7.302 0.542 -5.257 1.00 0.00 H new ATOM 0 HG12 VAL A 80 7.943 0.010 -6.830 1.00 0.00 H new ATOM 0 HG13 VAL A 80 6.274 0.617 -6.708 1.00 0.00 H new ATOM 0 HG21 VAL A 80 5.700 -0.770 -4.073 1.00 0.00 H new ATOM 0 HG22 VAL A 80 4.564 -0.816 -5.442 1.00 0.00 H new ATOM 0 HG23 VAL A 80 5.113 -2.333 -4.690 1.00 0.00 H new ATOM 1201 N ASN A 81 6.914 -1.391 -9.361 1.00 0.00 N ATOM 1202 CA ASN A 81 7.845 -0.899 -10.378 1.00 0.00 C ATOM 1203 C ASN A 81 8.889 -1.958 -10.773 1.00 0.00 C ATOM 1204 O ASN A 81 10.076 -1.665 -10.935 1.00 0.00 O ATOM 1205 CB ASN A 81 8.527 0.366 -9.859 1.00 0.00 C ATOM 1206 CG ASN A 81 9.060 1.253 -10.954 1.00 0.00 C ATOM 1207 OD1 ASN A 81 8.324 1.365 -12.034 1.00 0.00 O flip ATOM 1208 ND2 ASN A 81 10.097 1.872 -10.801 1.00 0.00 N flip ATOM 0 H ASN A 81 5.935 -1.279 -9.625 1.00 0.00 H new ATOM 0 HA ASN A 81 7.278 -0.671 -11.280 1.00 0.00 H new ATOM 0 HB2 ASN A 81 7.816 0.932 -9.257 1.00 0.00 H new ATOM 0 HB3 ASN A 81 9.348 0.083 -9.200 1.00 0.00 H new ATOM 0 HD21 ASN A 81 10.639 1.755 -9.945 1.00 0.00 H new ATOM 0 HD22 ASN A 81 10.424 2.508 -11.529 1.00 0.00 H new ATOM 1215 N GLY A 82 8.424 -3.169 -10.912 1.00 0.00 N ATOM 1216 CA GLY A 82 9.259 -4.293 -11.292 1.00 0.00 C ATOM 1217 C GLY A 82 10.076 -4.911 -10.150 1.00 0.00 C ATOM 1218 O GLY A 82 10.883 -5.811 -10.375 1.00 0.00 O ATOM 0 H GLY A 82 7.445 -3.414 -10.765 1.00 0.00 H new ATOM 0 HA2 GLY A 82 8.625 -5.067 -11.725 1.00 0.00 H new ATOM 0 HA3 GLY A 82 9.945 -3.968 -12.074 1.00 0.00 H new ATOM 1222 N TRP A 83 9.888 -4.423 -8.952 1.00 0.00 N ATOM 1223 CA TRP A 83 10.565 -4.960 -7.765 1.00 0.00 C ATOM 1224 C TRP A 83 9.508 -5.592 -6.837 1.00 0.00 C ATOM 1225 O TRP A 83 8.357 -5.134 -6.829 1.00 0.00 O ATOM 1226 CB TRP A 83 11.391 -3.803 -7.101 1.00 0.00 C ATOM 1227 CG TRP A 83 11.003 -3.343 -5.714 1.00 0.00 C ATOM 1228 CD1 TRP A 83 9.780 -2.927 -5.293 1.00 0.00 C ATOM 1229 CD2 TRP A 83 11.883 -3.155 -4.602 1.00 0.00 C ATOM 1230 NE1 TRP A 83 9.825 -2.574 -3.988 1.00 0.00 N ATOM 1231 CE2 TRP A 83 11.099 -2.683 -3.540 1.00 0.00 C ATOM 1232 CE3 TRP A 83 13.248 -3.365 -4.389 1.00 0.00 C ATOM 1233 CZ2 TRP A 83 11.621 -2.404 -2.297 1.00 0.00 C ATOM 1234 CZ3 TRP A 83 13.769 -3.084 -3.141 1.00 0.00 C ATOM 1235 CH2 TRP A 83 12.954 -2.607 -2.107 1.00 0.00 C ATOM 0 H TRP A 83 9.264 -3.641 -8.755 1.00 0.00 H new ATOM 0 HA TRP A 83 11.273 -5.751 -8.012 1.00 0.00 H new ATOM 0 HB2 TRP A 83 12.434 -4.118 -7.066 1.00 0.00 H new ATOM 0 HB3 TRP A 83 11.341 -2.938 -7.763 1.00 0.00 H new ATOM 0 HD1 TRP A 83 8.897 -2.884 -5.913 1.00 0.00 H new ATOM 0 HE1 TRP A 83 9.026 -2.273 -3.430 1.00 0.00 H new ATOM 0 HE3 TRP A 83 13.880 -3.738 -5.181 1.00 0.00 H new ATOM 0 HZ2 TRP A 83 10.994 -2.036 -1.499 1.00 0.00 H new ATOM 0 HZ3 TRP A 83 14.823 -3.235 -2.960 1.00 0.00 H new ATOM 0 HH2 TRP A 83 13.390 -2.396 -1.142 1.00 0.00 H new ATOM 1246 N ASP A 84 9.861 -6.608 -6.070 1.00 0.00 N ATOM 1247 CA ASP A 84 8.864 -7.272 -5.238 1.00 0.00 C ATOM 1248 C ASP A 84 8.625 -6.470 -3.987 1.00 0.00 C ATOM 1249 O ASP A 84 9.561 -5.945 -3.372 1.00 0.00 O ATOM 1250 CB ASP A 84 9.216 -8.735 -4.888 1.00 0.00 C ATOM 1251 CG ASP A 84 10.252 -8.896 -3.794 1.00 0.00 C ATOM 1252 OD1 ASP A 84 11.458 -8.834 -4.083 1.00 0.00 O ATOM 1253 OD2 ASP A 84 9.880 -9.159 -2.628 1.00 0.00 O ATOM 0 H ASP A 84 10.806 -6.987 -6.003 1.00 0.00 H new ATOM 0 HA ASP A 84 7.950 -7.322 -5.830 1.00 0.00 H new ATOM 0 HB2 ASP A 84 8.305 -9.250 -4.584 1.00 0.00 H new ATOM 0 HB3 ASP A 84 9.578 -9.232 -5.788 1.00 0.00 H new ATOM 1258 N MET A 85 7.378 -6.344 -3.634 1.00 0.00 N ATOM 1259 CA MET A 85 6.994 -5.518 -2.506 1.00 0.00 C ATOM 1260 C MET A 85 6.356 -6.377 -1.415 1.00 0.00 C ATOM 1261 O MET A 85 6.069 -5.912 -0.305 1.00 0.00 O ATOM 1262 CB MET A 85 5.986 -4.507 -2.992 1.00 0.00 C ATOM 1263 CG MET A 85 5.872 -3.288 -2.137 1.00 0.00 C ATOM 1264 SD MET A 85 7.368 -2.306 -2.223 1.00 0.00 S ATOM 1265 CE MET A 85 6.806 -0.864 -1.409 1.00 0.00 C ATOM 0 H MET A 85 6.600 -6.802 -4.109 1.00 0.00 H new ATOM 0 HA MET A 85 7.873 -5.024 -2.092 1.00 0.00 H new ATOM 0 HB2 MET A 85 6.254 -4.202 -4.004 1.00 0.00 H new ATOM 0 HB3 MET A 85 5.009 -4.986 -3.052 1.00 0.00 H new ATOM 0 HG2 MET A 85 5.020 -2.690 -2.461 1.00 0.00 H new ATOM 0 HG3 MET A 85 5.682 -3.580 -1.104 1.00 0.00 H new ATOM 0 HE1 MET A 85 7.511 -0.051 -1.582 1.00 0.00 H new ATOM 0 HE2 MET A 85 5.827 -0.585 -1.798 1.00 0.00 H new ATOM 0 HE3 MET A 85 6.730 -1.057 -0.339 1.00 0.00 H new ATOM 1275 N THR A 86 6.146 -7.630 -1.752 1.00 0.00 N ATOM 1276 CA THR A 86 5.518 -8.600 -0.880 1.00 0.00 C ATOM 1277 C THR A 86 6.291 -8.773 0.451 1.00 0.00 C ATOM 1278 O THR A 86 5.684 -8.943 1.521 1.00 0.00 O ATOM 1279 CB THR A 86 5.337 -9.964 -1.628 1.00 0.00 C ATOM 1280 OG1 THR A 86 4.731 -10.949 -0.788 1.00 0.00 O ATOM 1281 CG2 THR A 86 6.662 -10.493 -2.168 1.00 0.00 C ATOM 0 H THR A 86 6.413 -8.012 -2.659 1.00 0.00 H new ATOM 0 HA THR A 86 4.531 -8.222 -0.614 1.00 0.00 H new ATOM 0 HB THR A 86 4.674 -9.769 -2.470 1.00 0.00 H new ATOM 0 HG1 THR A 86 3.756 -10.874 -0.848 1.00 0.00 H new ATOM 0 HG21 THR A 86 6.494 -11.440 -2.680 1.00 0.00 H new ATOM 0 HG22 THR A 86 7.083 -9.772 -2.868 1.00 0.00 H new ATOM 0 HG23 THR A 86 7.357 -10.645 -1.342 1.00 0.00 H new ATOM 1289 N MET A 87 7.602 -8.675 0.393 1.00 0.00 N ATOM 1290 CA MET A 87 8.421 -8.829 1.565 1.00 0.00 C ATOM 1291 C MET A 87 9.518 -7.781 1.560 1.00 0.00 C ATOM 1292 O MET A 87 10.575 -7.972 0.961 1.00 0.00 O ATOM 1293 CB MET A 87 9.001 -10.254 1.639 1.00 0.00 C ATOM 1294 CG MET A 87 9.866 -10.527 2.864 1.00 0.00 C ATOM 1295 SD MET A 87 10.466 -12.234 2.936 1.00 0.00 S ATOM 1296 CE MET A 87 11.395 -12.347 1.400 1.00 0.00 C ATOM 0 H MET A 87 8.122 -8.488 -0.464 1.00 0.00 H new ATOM 0 HA MET A 87 7.809 -8.682 2.455 1.00 0.00 H new ATOM 0 HB2 MET A 87 8.177 -10.968 1.626 1.00 0.00 H new ATOM 0 HB3 MET A 87 9.595 -10.437 0.744 1.00 0.00 H new ATOM 0 HG2 MET A 87 10.718 -9.847 2.860 1.00 0.00 H new ATOM 0 HG3 MET A 87 9.291 -10.311 3.764 1.00 0.00 H new ATOM 0 HE1 MET A 87 12.074 -13.199 1.447 1.00 0.00 H new ATOM 0 HE2 MET A 87 10.705 -12.478 0.566 1.00 0.00 H new ATOM 0 HE3 MET A 87 11.970 -11.433 1.255 1.00 0.00 H new ATOM 1306 N VAL A 88 9.229 -6.656 2.168 1.00 0.00 N ATOM 1307 CA VAL A 88 10.147 -5.548 2.230 1.00 0.00 C ATOM 1308 C VAL A 88 9.831 -4.708 3.466 1.00 0.00 C ATOM 1309 O VAL A 88 8.680 -4.721 3.969 1.00 0.00 O ATOM 1310 CB VAL A 88 10.056 -4.681 0.930 1.00 0.00 C ATOM 1311 CG1 VAL A 88 8.661 -4.157 0.702 1.00 0.00 C ATOM 1312 CG2 VAL A 88 11.031 -3.536 0.961 1.00 0.00 C ATOM 0 H VAL A 88 8.340 -6.484 2.638 1.00 0.00 H new ATOM 0 HA VAL A 88 11.167 -5.926 2.303 1.00 0.00 H new ATOM 0 HB VAL A 88 10.316 -5.339 0.100 1.00 0.00 H new ATOM 0 HG11 VAL A 88 8.641 -3.560 -0.210 1.00 0.00 H new ATOM 0 HG12 VAL A 88 7.970 -4.994 0.604 1.00 0.00 H new ATOM 0 HG13 VAL A 88 8.362 -3.537 1.547 1.00 0.00 H new ATOM 0 HG21 VAL A 88 10.940 -2.956 0.043 1.00 0.00 H new ATOM 0 HG22 VAL A 88 10.815 -2.897 1.817 1.00 0.00 H new ATOM 0 HG23 VAL A 88 12.046 -3.925 1.046 1.00 0.00 H new ATOM 1322 N THR A 89 10.834 -4.047 4.007 1.00 0.00 N ATOM 1323 CA THR A 89 10.656 -3.214 5.159 1.00 0.00 C ATOM 1324 C THR A 89 9.984 -1.929 4.787 1.00 0.00 C ATOM 1325 O THR A 89 9.990 -1.539 3.630 1.00 0.00 O ATOM 1326 CB THR A 89 11.991 -2.889 5.837 1.00 0.00 C ATOM 1327 OG1 THR A 89 12.952 -2.530 4.843 1.00 0.00 O ATOM 1328 CG2 THR A 89 12.483 -4.050 6.663 1.00 0.00 C ATOM 0 H THR A 89 11.791 -4.078 3.655 1.00 0.00 H new ATOM 0 HA THR A 89 10.031 -3.773 5.856 1.00 0.00 H new ATOM 0 HB THR A 89 11.844 -2.049 6.516 1.00 0.00 H new ATOM 0 HG1 THR A 89 13.710 -3.150 4.881 1.00 0.00 H new ATOM 0 HG21 THR A 89 13.432 -3.788 7.131 1.00 0.00 H new ATOM 0 HG22 THR A 89 11.750 -4.284 7.435 1.00 0.00 H new ATOM 0 HG23 THR A 89 12.623 -4.920 6.021 1.00 0.00 H new ATOM 1336 N HIS A 90 9.399 -1.282 5.777 1.00 0.00 N ATOM 1337 CA HIS A 90 8.780 0.022 5.605 1.00 0.00 C ATOM 1338 C HIS A 90 9.803 0.983 5.024 1.00 0.00 C ATOM 1339 O HIS A 90 9.515 1.711 4.101 1.00 0.00 O ATOM 1340 CB HIS A 90 8.289 0.531 6.969 1.00 0.00 C ATOM 1341 CG HIS A 90 7.517 1.820 6.948 1.00 0.00 C ATOM 1342 ND1 HIS A 90 6.175 1.903 7.203 1.00 0.00 N ATOM 1343 CD2 HIS A 90 7.913 3.076 6.666 1.00 0.00 C ATOM 1344 CE1 HIS A 90 5.793 3.161 7.050 1.00 0.00 C ATOM 1345 NE2 HIS A 90 6.811 3.927 6.728 1.00 0.00 N ATOM 0 H HIS A 90 9.339 -1.646 6.728 1.00 0.00 H new ATOM 0 HA HIS A 90 7.931 -0.051 4.926 1.00 0.00 H new ATOM 0 HB2 HIS A 90 7.662 -0.239 7.418 1.00 0.00 H new ATOM 0 HB3 HIS A 90 9.153 0.658 7.621 1.00 0.00 H new ATOM 0 HD2 HIS A 90 8.923 3.376 6.430 1.00 0.00 H new ATOM 0 HE1 HIS A 90 4.779 3.511 7.173 1.00 0.00 H new ATOM 0 HE2 HIS A 90 6.798 4.933 6.559 1.00 0.00 H new ATOM 1353 N ASP A 91 11.001 0.904 5.551 1.00 0.00 N ATOM 1354 CA ASP A 91 12.107 1.760 5.159 1.00 0.00 C ATOM 1355 C ASP A 91 12.430 1.621 3.683 1.00 0.00 C ATOM 1356 O ASP A 91 12.399 2.598 2.932 1.00 0.00 O ATOM 1357 CB ASP A 91 13.335 1.409 5.971 1.00 0.00 C ATOM 1358 CG ASP A 91 14.502 2.318 5.639 1.00 0.00 C ATOM 1359 OD1 ASP A 91 14.404 3.531 5.863 1.00 0.00 O ATOM 1360 OD2 ASP A 91 15.515 1.844 5.094 1.00 0.00 O ATOM 0 H ASP A 91 11.244 0.232 6.279 1.00 0.00 H new ATOM 0 HA ASP A 91 11.810 2.792 5.347 1.00 0.00 H new ATOM 0 HB2 ASP A 91 13.104 1.486 7.033 1.00 0.00 H new ATOM 0 HB3 ASP A 91 13.614 0.373 5.780 1.00 0.00 H new ATOM 1365 N GLN A 92 12.657 0.393 3.262 1.00 0.00 N ATOM 1366 CA GLN A 92 13.056 0.111 1.885 1.00 0.00 C ATOM 1367 C GLN A 92 11.921 0.404 0.923 1.00 0.00 C ATOM 1368 O GLN A 92 12.139 0.797 -0.223 1.00 0.00 O ATOM 1369 CB GLN A 92 13.535 -1.337 1.746 1.00 0.00 C ATOM 1370 CG GLN A 92 15.055 -1.523 1.707 1.00 0.00 C ATOM 1371 CD GLN A 92 15.809 -1.014 2.928 1.00 0.00 C ATOM 1372 OE1 GLN A 92 16.948 -0.585 2.812 1.00 0.00 O ATOM 1373 NE2 GLN A 92 15.232 -1.107 4.088 1.00 0.00 N ATOM 0 H GLN A 92 12.573 -0.434 3.853 1.00 0.00 H new ATOM 0 HA GLN A 92 13.888 0.767 1.630 1.00 0.00 H new ATOM 0 HB2 GLN A 92 13.136 -1.916 2.579 1.00 0.00 H new ATOM 0 HB3 GLN A 92 13.111 -1.757 0.834 1.00 0.00 H new ATOM 0 HG2 GLN A 92 15.271 -2.584 1.585 1.00 0.00 H new ATOM 0 HG3 GLN A 92 15.443 -1.015 0.824 1.00 0.00 H new ATOM 0 HE21 GLN A 92 14.281 -1.468 4.157 1.00 0.00 H new ATOM 0 HE22 GLN A 92 15.730 -0.819 4.930 1.00 0.00 H new ATOM 1382 N ALA A 93 10.718 0.237 1.419 1.00 0.00 N ATOM 1383 CA ALA A 93 9.517 0.486 0.674 1.00 0.00 C ATOM 1384 C ALA A 93 9.301 1.968 0.466 1.00 0.00 C ATOM 1385 O ALA A 93 8.952 2.407 -0.629 1.00 0.00 O ATOM 1386 CB ALA A 93 8.360 -0.079 1.423 1.00 0.00 C ATOM 0 H ALA A 93 10.548 -0.083 2.373 1.00 0.00 H new ATOM 0 HA ALA A 93 9.608 0.013 -0.304 1.00 0.00 H new ATOM 0 HB1 ALA A 93 7.441 0.105 0.866 1.00 0.00 H new ATOM 0 HB2 ALA A 93 8.499 -1.153 1.551 1.00 0.00 H new ATOM 0 HB3 ALA A 93 8.292 0.397 2.401 1.00 0.00 H new ATOM 1392 N ARG A 94 9.498 2.739 1.529 1.00 0.00 N ATOM 1393 CA ARG A 94 9.335 4.196 1.480 1.00 0.00 C ATOM 1394 C ARG A 94 10.253 4.769 0.432 1.00 0.00 C ATOM 1395 O ARG A 94 9.846 5.530 -0.428 1.00 0.00 O ATOM 1396 CB ARG A 94 9.648 4.833 2.838 1.00 0.00 C ATOM 1397 CG ARG A 94 8.602 4.647 3.893 1.00 0.00 C ATOM 1398 CD ARG A 94 7.342 5.425 3.600 1.00 0.00 C ATOM 1399 NE ARG A 94 7.525 6.875 3.763 1.00 0.00 N ATOM 1400 CZ ARG A 94 6.669 7.698 4.395 1.00 0.00 C ATOM 1401 NH1 ARG A 94 5.653 7.201 5.118 1.00 0.00 N ATOM 1402 NH2 ARG A 94 6.871 9.005 4.360 1.00 0.00 N ATOM 0 H ARG A 94 9.773 2.381 2.444 1.00 0.00 H new ATOM 0 HA ARG A 94 8.298 4.417 1.229 1.00 0.00 H new ATOM 0 HB2 ARG A 94 10.587 4.420 3.206 1.00 0.00 H new ATOM 0 HB3 ARG A 94 9.805 5.902 2.691 1.00 0.00 H new ATOM 0 HG2 ARG A 94 8.360 3.588 3.977 1.00 0.00 H new ATOM 0 HG3 ARG A 94 9.003 4.960 4.857 1.00 0.00 H new ATOM 0 HD2 ARG A 94 7.018 5.215 2.581 1.00 0.00 H new ATOM 0 HD3 ARG A 94 6.547 5.086 4.263 1.00 0.00 H new ATOM 0 HE ARG A 94 8.368 7.290 3.365 1.00 0.00 H new ATOM 0 HH11 ARG A 94 5.525 6.192 5.192 1.00 0.00 H new ATOM 0 HH12 ARG A 94 5.009 7.833 5.594 1.00 0.00 H new ATOM 0 HH21 ARG A 94 7.673 9.384 3.856 1.00 0.00 H new ATOM 0 HH22 ARG A 94 6.225 9.634 4.837 1.00 0.00 H new ATOM 1416 N LYS A 95 11.440 4.275 0.429 1.00 0.00 N ATOM 1417 CA LYS A 95 12.462 4.691 -0.485 1.00 0.00 C ATOM 1418 C LYS A 95 12.345 3.895 -1.766 1.00 0.00 C ATOM 1419 O LYS A 95 13.325 3.482 -2.361 1.00 0.00 O ATOM 1420 CB LYS A 95 13.854 4.557 0.153 1.00 0.00 C ATOM 1421 CG LYS A 95 14.390 5.843 0.823 1.00 0.00 C ATOM 1422 CD LYS A 95 13.506 6.399 1.951 1.00 0.00 C ATOM 1423 CE LYS A 95 13.401 5.461 3.152 1.00 0.00 C ATOM 1424 NZ LYS A 95 14.711 5.144 3.748 1.00 0.00 N ATOM 0 H LYS A 95 11.743 3.549 1.078 1.00 0.00 H new ATOM 0 HA LYS A 95 12.328 5.746 -0.726 1.00 0.00 H new ATOM 0 HB2 LYS A 95 13.821 3.763 0.899 1.00 0.00 H new ATOM 0 HB3 LYS A 95 14.561 4.243 -0.615 1.00 0.00 H new ATOM 0 HG2 LYS A 95 15.383 5.640 1.225 1.00 0.00 H new ATOM 0 HG3 LYS A 95 14.507 6.612 0.059 1.00 0.00 H new ATOM 0 HD2 LYS A 95 13.909 7.357 2.281 1.00 0.00 H new ATOM 0 HD3 LYS A 95 12.507 6.591 1.560 1.00 0.00 H new ATOM 0 HE2 LYS A 95 12.764 5.918 3.909 1.00 0.00 H new ATOM 0 HE3 LYS A 95 12.915 4.536 2.843 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 14.575 4.787 4.715 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 15.187 4.418 3.175 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 15.297 6.003 3.775 1.00 0.00 H new ATOM 1438 N ARG A 96 11.115 3.695 -2.172 1.00 0.00 N ATOM 1439 CA ARG A 96 10.795 3.056 -3.415 1.00 0.00 C ATOM 1440 C ARG A 96 9.485 3.601 -3.932 1.00 0.00 C ATOM 1441 O ARG A 96 9.371 3.931 -5.095 1.00 0.00 O ATOM 1442 CB ARG A 96 10.753 1.523 -3.296 1.00 0.00 C ATOM 1443 CG ARG A 96 10.500 0.794 -4.615 1.00 0.00 C ATOM 1444 CD ARG A 96 11.661 0.960 -5.587 1.00 0.00 C ATOM 1445 NE ARG A 96 11.401 0.298 -6.879 1.00 0.00 N ATOM 1446 CZ ARG A 96 12.336 -0.306 -7.637 1.00 0.00 C ATOM 1447 NH1 ARG A 96 13.580 -0.468 -7.176 1.00 0.00 N ATOM 1448 NH2 ARG A 96 12.016 -0.788 -8.841 1.00 0.00 N ATOM 0 H ARG A 96 10.296 3.979 -1.634 1.00 0.00 H new ATOM 0 HA ARG A 96 11.589 3.281 -4.127 1.00 0.00 H new ATOM 0 HB2 ARG A 96 11.699 1.177 -2.879 1.00 0.00 H new ATOM 0 HB3 ARG A 96 9.973 1.247 -2.587 1.00 0.00 H new ATOM 0 HG2 ARG A 96 10.339 -0.266 -4.419 1.00 0.00 H new ATOM 0 HG3 ARG A 96 9.587 1.176 -5.072 1.00 0.00 H new ATOM 0 HD2 ARG A 96 11.844 2.021 -5.754 1.00 0.00 H new ATOM 0 HD3 ARG A 96 12.567 0.546 -5.144 1.00 0.00 H new ATOM 0 HE ARG A 96 10.441 0.298 -7.224 1.00 0.00 H new ATOM 0 HH11 ARG A 96 13.826 -0.133 -6.245 1.00 0.00 H new ATOM 0 HH12 ARG A 96 14.283 -0.926 -7.756 1.00 0.00 H new ATOM 0 HH21 ARG A 96 11.061 -0.699 -9.189 1.00 0.00 H new ATOM 0 HH22 ARG A 96 12.726 -1.245 -9.413 1.00 0.00 H new ATOM 1462 N LEU A 97 8.502 3.706 -3.066 1.00 0.00 N ATOM 1463 CA LEU A 97 7.219 4.228 -3.497 1.00 0.00 C ATOM 1464 C LEU A 97 6.985 5.684 -3.175 1.00 0.00 C ATOM 1465 O LEU A 97 6.194 6.329 -3.799 1.00 0.00 O ATOM 1466 CB LEU A 97 6.076 3.361 -3.035 1.00 0.00 C ATOM 1467 CG LEU A 97 6.087 2.856 -1.606 1.00 0.00 C ATOM 1468 CD1 LEU A 97 6.004 3.984 -0.580 1.00 0.00 C ATOM 1469 CD2 LEU A 97 4.944 1.948 -1.441 1.00 0.00 C ATOM 0 H LEU A 97 8.559 3.445 -2.082 1.00 0.00 H new ATOM 0 HA LEU A 97 7.258 4.189 -4.586 1.00 0.00 H new ATOM 0 HB2 LEU A 97 5.153 3.922 -3.182 1.00 0.00 H new ATOM 0 HB3 LEU A 97 6.030 2.494 -3.693 1.00 0.00 H new ATOM 0 HG LEU A 97 7.033 2.345 -1.427 1.00 0.00 H new ATOM 0 HD11 LEU A 97 6.016 3.563 0.425 1.00 0.00 H new ATOM 0 HD12 LEU A 97 6.857 4.652 -0.704 1.00 0.00 H new ATOM 0 HD13 LEU A 97 5.080 4.543 -0.728 1.00 0.00 H new ATOM 0 HD21 LEU A 97 4.926 1.568 -0.420 1.00 0.00 H new ATOM 0 HD22 LEU A 97 4.019 2.487 -1.644 1.00 0.00 H new ATOM 0 HD23 LEU A 97 5.038 1.114 -2.137 1.00 0.00 H new ATOM 1481 N THR A 98 7.612 6.179 -2.175 1.00 0.00 N ATOM 1482 CA THR A 98 7.465 7.577 -1.909 1.00 0.00 C ATOM 1483 C THR A 98 8.780 8.287 -2.175 1.00 0.00 C ATOM 1484 O THR A 98 9.016 9.420 -1.711 1.00 0.00 O ATOM 1485 CB THR A 98 6.855 7.880 -0.496 1.00 0.00 C ATOM 1486 OG1 THR A 98 6.608 9.274 -0.324 1.00 0.00 O ATOM 1487 CG2 THR A 98 7.745 7.416 0.602 1.00 0.00 C ATOM 0 H THR A 98 8.218 5.663 -1.537 1.00 0.00 H new ATOM 0 HA THR A 98 6.724 7.981 -2.598 1.00 0.00 H new ATOM 0 HB THR A 98 5.913 7.333 -0.447 1.00 0.00 H new ATOM 0 HG1 THR A 98 7.359 9.787 -0.689 1.00 0.00 H new ATOM 0 HG21 THR A 98 7.286 7.645 1.564 1.00 0.00 H new ATOM 0 HG22 THR A 98 7.895 6.340 0.518 1.00 0.00 H new ATOM 0 HG23 THR A 98 8.707 7.923 0.529 1.00 0.00 H new ATOM 1495 N LYS A 99 9.668 7.605 -2.915 1.00 0.00 N ATOM 1496 CA LYS A 99 10.822 8.277 -3.416 1.00 0.00 C ATOM 1497 C LYS A 99 10.378 9.222 -4.540 1.00 0.00 C ATOM 1498 O LYS A 99 9.318 9.043 -5.122 1.00 0.00 O ATOM 1499 CB LYS A 99 11.899 7.311 -3.911 1.00 0.00 C ATOM 1500 CG LYS A 99 11.506 6.437 -5.095 1.00 0.00 C ATOM 1501 CD LYS A 99 12.739 5.843 -5.774 1.00 0.00 C ATOM 1502 CE LYS A 99 13.676 5.178 -4.786 1.00 0.00 C ATOM 1503 NZ LYS A 99 14.890 4.650 -5.422 1.00 0.00 N ATOM 0 H LYS A 99 9.593 6.618 -3.161 1.00 0.00 H new ATOM 0 HA LYS A 99 11.278 8.840 -2.601 1.00 0.00 H new ATOM 0 HB2 LYS A 99 12.781 7.889 -4.186 1.00 0.00 H new ATOM 0 HB3 LYS A 99 12.188 6.663 -3.084 1.00 0.00 H new ATOM 0 HG2 LYS A 99 10.851 5.634 -4.757 1.00 0.00 H new ATOM 0 HG3 LYS A 99 10.940 7.028 -5.815 1.00 0.00 H new ATOM 0 HD2 LYS A 99 12.424 5.113 -6.520 1.00 0.00 H new ATOM 0 HD3 LYS A 99 13.274 6.631 -6.305 1.00 0.00 H new ATOM 0 HE2 LYS A 99 13.957 5.898 -4.018 1.00 0.00 H new ATOM 0 HE3 LYS A 99 13.151 4.365 -4.284 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 15.495 4.206 -4.701 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 14.627 3.942 -6.137 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 15.409 5.427 -5.878 1.00 0.00 H new ATOM 1517 N ARG A 100 11.197 10.174 -4.866 1.00 0.00 N ATOM 1518 CA ARG A 100 10.813 11.206 -5.825 1.00 0.00 C ATOM 1519 C ARG A 100 11.660 11.105 -7.075 1.00 0.00 C ATOM 1520 O ARG A 100 11.626 11.966 -7.950 1.00 0.00 O ATOM 1521 CB ARG A 100 10.955 12.587 -5.176 1.00 0.00 C ATOM 1522 CG ARG A 100 12.338 12.861 -4.622 1.00 0.00 C ATOM 1523 CD ARG A 100 12.440 14.241 -3.996 1.00 0.00 C ATOM 1524 NE ARG A 100 12.112 15.323 -4.935 1.00 0.00 N ATOM 1525 CZ ARG A 100 11.672 16.541 -4.574 1.00 0.00 C ATOM 1526 NH1 ARG A 100 11.487 16.835 -3.281 1.00 0.00 N ATOM 1527 NH2 ARG A 100 11.403 17.454 -5.497 1.00 0.00 N ATOM 0 H ARG A 100 12.140 10.272 -4.491 1.00 0.00 H new ATOM 0 HA ARG A 100 9.772 11.061 -6.114 1.00 0.00 H new ATOM 0 HB2 ARG A 100 10.711 13.352 -5.913 1.00 0.00 H new ATOM 0 HB3 ARG A 100 10.226 12.677 -4.370 1.00 0.00 H new ATOM 0 HG2 ARG A 100 12.585 12.106 -3.876 1.00 0.00 H new ATOM 0 HG3 ARG A 100 13.073 12.771 -5.422 1.00 0.00 H new ATOM 0 HD2 ARG A 100 11.769 14.296 -3.139 1.00 0.00 H new ATOM 0 HD3 ARG A 100 13.452 14.389 -3.619 1.00 0.00 H new ATOM 0 HE ARG A 100 12.226 15.137 -5.931 1.00 0.00 H new ATOM 0 HH11 ARG A 100 11.680 16.134 -2.566 1.00 0.00 H new ATOM 0 HH12 ARG A 100 11.153 17.760 -3.011 1.00 0.00 H new ATOM 0 HH21 ARG A 100 11.530 17.233 -6.485 1.00 0.00 H new ATOM 0 HH22 ARG A 100 11.069 18.377 -5.219 1.00 0.00 H new ATOM 1541 N SER A 101 12.398 10.041 -7.146 1.00 0.00 N ATOM 1542 CA SER A 101 13.313 9.794 -8.223 1.00 0.00 C ATOM 1543 C SER A 101 12.601 9.242 -9.460 1.00 0.00 C ATOM 1544 O SER A 101 13.037 9.459 -10.590 1.00 0.00 O ATOM 1545 CB SER A 101 14.315 8.812 -7.722 1.00 0.00 C ATOM 1546 OG SER A 101 14.949 9.305 -6.551 1.00 0.00 O ATOM 0 H SER A 101 12.383 9.302 -6.443 1.00 0.00 H new ATOM 0 HA SER A 101 13.787 10.727 -8.530 1.00 0.00 H new ATOM 0 HB2 SER A 101 13.826 7.862 -7.506 1.00 0.00 H new ATOM 0 HB3 SER A 101 15.061 8.618 -8.493 1.00 0.00 H new ATOM 0 HG SER A 101 15.603 8.649 -6.232 1.00 0.00 H new ATOM 1552 N GLU A 102 11.542 8.528 -9.229 1.00 0.00 N ATOM 1553 CA GLU A 102 10.741 7.957 -10.293 1.00 0.00 C ATOM 1554 C GLU A 102 9.397 8.694 -10.339 1.00 0.00 C ATOM 1555 O GLU A 102 9.006 9.311 -9.351 1.00 0.00 O ATOM 1556 CB GLU A 102 10.567 6.435 -10.052 1.00 0.00 C ATOM 1557 CG GLU A 102 9.725 5.690 -11.091 1.00 0.00 C ATOM 1558 CD GLU A 102 10.256 5.793 -12.499 1.00 0.00 C ATOM 1559 OE1 GLU A 102 10.022 6.825 -13.159 1.00 0.00 O ATOM 1560 OE2 GLU A 102 10.881 4.828 -12.993 1.00 0.00 O ATOM 0 H GLU A 102 11.198 8.318 -8.292 1.00 0.00 H new ATOM 0 HA GLU A 102 11.231 8.077 -11.259 1.00 0.00 H new ATOM 0 HB2 GLU A 102 11.555 5.976 -10.016 1.00 0.00 H new ATOM 0 HB3 GLU A 102 10.112 6.291 -9.072 1.00 0.00 H new ATOM 0 HG2 GLU A 102 9.668 4.638 -10.811 1.00 0.00 H new ATOM 0 HG3 GLU A 102 8.708 6.081 -11.068 1.00 0.00 H new ATOM 1567 N GLU A 103 8.735 8.669 -11.479 1.00 0.00 N ATOM 1568 CA GLU A 103 7.462 9.349 -11.643 1.00 0.00 C ATOM 1569 C GLU A 103 6.308 8.366 -11.784 1.00 0.00 C ATOM 1570 O GLU A 103 5.457 8.268 -10.911 1.00 0.00 O ATOM 1571 CB GLU A 103 7.521 10.356 -12.813 1.00 0.00 C ATOM 1572 CG GLU A 103 8.119 9.825 -14.100 1.00 0.00 C ATOM 1573 CD GLU A 103 8.486 10.928 -15.059 1.00 0.00 C ATOM 1574 OE1 GLU A 103 9.455 11.662 -14.796 1.00 0.00 O ATOM 1575 OE2 GLU A 103 7.817 11.075 -16.100 1.00 0.00 O ATOM 0 H GLU A 103 9.060 8.181 -12.313 1.00 0.00 H new ATOM 0 HA GLU A 103 7.269 9.919 -10.734 1.00 0.00 H new ATOM 0 HB2 GLU A 103 6.510 10.706 -13.020 1.00 0.00 H new ATOM 0 HB3 GLU A 103 8.099 11.223 -12.494 1.00 0.00 H new ATOM 0 HG2 GLU A 103 9.007 9.237 -13.870 1.00 0.00 H new ATOM 0 HG3 GLU A 103 7.407 9.153 -14.579 1.00 0.00 H new ATOM 1582 N VAL A 104 6.287 7.650 -12.869 1.00 0.00 N ATOM 1583 CA VAL A 104 5.268 6.687 -13.109 1.00 0.00 C ATOM 1584 C VAL A 104 5.747 5.267 -12.891 1.00 0.00 C ATOM 1585 O VAL A 104 6.744 4.815 -13.464 1.00 0.00 O ATOM 1586 CB VAL A 104 4.530 6.895 -14.463 1.00 0.00 C ATOM 1587 CG1 VAL A 104 5.469 7.193 -15.580 1.00 0.00 C ATOM 1588 CG2 VAL A 104 3.643 5.716 -14.813 1.00 0.00 C ATOM 0 H VAL A 104 6.982 7.722 -13.612 1.00 0.00 H new ATOM 0 HA VAL A 104 4.506 6.860 -12.349 1.00 0.00 H new ATOM 0 HB VAL A 104 3.892 7.768 -14.327 1.00 0.00 H new ATOM 0 HG11 VAL A 104 4.905 7.330 -16.503 1.00 0.00 H new ATOM 0 HG12 VAL A 104 6.024 8.104 -15.356 1.00 0.00 H new ATOM 0 HG13 VAL A 104 6.166 6.364 -15.700 1.00 0.00 H new ATOM 0 HG21 VAL A 104 3.147 5.904 -15.765 1.00 0.00 H new ATOM 0 HG22 VAL A 104 4.250 4.814 -14.892 1.00 0.00 H new ATOM 0 HG23 VAL A 104 2.893 5.581 -14.034 1.00 0.00 H new ATOM 1598 N VAL A 105 5.030 4.584 -12.050 1.00 0.00 N ATOM 1599 CA VAL A 105 5.353 3.250 -11.616 1.00 0.00 C ATOM 1600 C VAL A 105 4.172 2.316 -11.843 1.00 0.00 C ATOM 1601 O VAL A 105 3.050 2.764 -12.093 1.00 0.00 O ATOM 1602 CB VAL A 105 5.688 3.245 -10.108 1.00 0.00 C ATOM 1603 CG1 VAL A 105 7.011 3.934 -9.836 1.00 0.00 C ATOM 1604 CG2 VAL A 105 4.592 3.963 -9.358 1.00 0.00 C ATOM 0 H VAL A 105 4.175 4.949 -11.631 1.00 0.00 H new ATOM 0 HA VAL A 105 6.213 2.910 -12.193 1.00 0.00 H new ATOM 0 HB VAL A 105 5.766 2.210 -9.775 1.00 0.00 H new ATOM 0 HG11 VAL A 105 7.218 3.914 -8.766 1.00 0.00 H new ATOM 0 HG12 VAL A 105 7.808 3.416 -10.370 1.00 0.00 H new ATOM 0 HG13 VAL A 105 6.959 4.968 -10.176 1.00 0.00 H new ATOM 0 HG21 VAL A 105 4.821 3.964 -8.292 1.00 0.00 H new ATOM 0 HG22 VAL A 105 4.520 4.990 -9.715 1.00 0.00 H new ATOM 0 HG23 VAL A 105 3.643 3.454 -9.525 1.00 0.00 H new ATOM 1614 N ARG A 106 4.420 1.028 -11.707 1.00 0.00 N ATOM 1615 CA ARG A 106 3.394 0.005 -11.889 1.00 0.00 C ATOM 1616 C ARG A 106 3.400 -0.845 -10.671 1.00 0.00 C ATOM 1617 O ARG A 106 4.405 -1.448 -10.347 1.00 0.00 O ATOM 1618 CB ARG A 106 3.606 -0.874 -13.151 1.00 0.00 C ATOM 1619 CG ARG A 106 3.313 -0.176 -14.492 1.00 0.00 C ATOM 1620 CD ARG A 106 4.342 0.880 -14.850 1.00 0.00 C ATOM 1621 NE ARG A 106 3.874 1.769 -15.909 1.00 0.00 N ATOM 1622 CZ ARG A 106 4.609 2.710 -16.506 1.00 0.00 C ATOM 1623 NH1 ARG A 106 5.891 2.862 -16.187 1.00 0.00 N ATOM 1624 NH2 ARG A 106 4.055 3.513 -17.412 1.00 0.00 N ATOM 0 H ARG A 106 5.338 0.655 -11.467 1.00 0.00 H new ATOM 0 HA ARG A 106 2.436 0.503 -12.039 1.00 0.00 H new ATOM 0 HB2 ARG A 106 4.638 -1.226 -13.160 1.00 0.00 H new ATOM 0 HB3 ARG A 106 2.970 -1.755 -13.072 1.00 0.00 H new ATOM 0 HG2 ARG A 106 3.278 -0.924 -15.284 1.00 0.00 H new ATOM 0 HG3 ARG A 106 2.327 0.287 -14.446 1.00 0.00 H new ATOM 0 HD2 ARG A 106 4.581 1.468 -13.964 1.00 0.00 H new ATOM 0 HD3 ARG A 106 5.264 0.393 -15.168 1.00 0.00 H new ATOM 0 HE ARG A 106 2.908 1.663 -16.218 1.00 0.00 H new ATOM 0 HH11 ARG A 106 6.317 2.258 -15.484 1.00 0.00 H new ATOM 0 HH12 ARG A 106 6.449 3.582 -16.646 1.00 0.00 H new ATOM 0 HH21 ARG A 106 3.069 3.409 -17.650 1.00 0.00 H new ATOM 0 HH22 ARG A 106 4.617 4.232 -17.868 1.00 0.00 H new ATOM 1638 N LEU A 107 2.336 -0.837 -9.961 1.00 0.00 N ATOM 1639 CA LEU A 107 2.257 -1.523 -8.721 1.00 0.00 C ATOM 1640 C LEU A 107 1.177 -2.565 -8.818 1.00 0.00 C ATOM 1641 O LEU A 107 0.246 -2.426 -9.597 1.00 0.00 O ATOM 1642 CB LEU A 107 1.877 -0.549 -7.587 1.00 0.00 C ATOM 1643 CG LEU A 107 2.527 0.851 -7.559 1.00 0.00 C ATOM 1644 CD1 LEU A 107 4.012 0.818 -7.779 1.00 0.00 C ATOM 1645 CD2 LEU A 107 1.819 1.830 -8.485 1.00 0.00 C ATOM 0 H LEU A 107 1.481 -0.348 -10.225 1.00 0.00 H new ATOM 0 HA LEU A 107 3.226 -1.973 -8.505 1.00 0.00 H new ATOM 0 HB2 LEU A 107 0.796 -0.410 -7.620 1.00 0.00 H new ATOM 0 HB3 LEU A 107 2.107 -1.039 -6.641 1.00 0.00 H new ATOM 0 HG LEU A 107 2.392 1.226 -6.544 1.00 0.00 H new ATOM 0 HD11 LEU A 107 4.407 1.833 -7.748 1.00 0.00 H new ATOM 0 HD12 LEU A 107 4.482 0.221 -6.998 1.00 0.00 H new ATOM 0 HD13 LEU A 107 4.226 0.375 -8.752 1.00 0.00 H new ATOM 0 HD21 LEU A 107 2.311 2.801 -8.432 1.00 0.00 H new ATOM 0 HD22 LEU A 107 1.860 1.457 -9.509 1.00 0.00 H new ATOM 0 HD23 LEU A 107 0.778 1.933 -8.178 1.00 0.00 H new ATOM 1657 N LEU A 108 1.303 -3.581 -8.057 1.00 0.00 N ATOM 1658 CA LEU A 108 0.323 -4.618 -7.969 1.00 0.00 C ATOM 1659 C LEU A 108 -0.073 -4.791 -6.554 1.00 0.00 C ATOM 1660 O LEU A 108 0.777 -5.035 -5.680 1.00 0.00 O ATOM 1661 CB LEU A 108 0.836 -5.923 -8.527 1.00 0.00 C ATOM 1662 CG LEU A 108 0.388 -6.276 -9.926 1.00 0.00 C ATOM 1663 CD1 LEU A 108 0.992 -5.338 -10.961 1.00 0.00 C ATOM 1664 CD2 LEU A 108 0.719 -7.716 -10.239 1.00 0.00 C ATOM 0 H LEU A 108 2.112 -3.730 -7.454 1.00 0.00 H new ATOM 0 HA LEU A 108 -0.540 -4.326 -8.567 1.00 0.00 H new ATOM 0 HB2 LEU A 108 1.926 -5.896 -8.513 1.00 0.00 H new ATOM 0 HB3 LEU A 108 0.529 -6.726 -7.857 1.00 0.00 H new ATOM 0 HG LEU A 108 -0.694 -6.153 -9.972 1.00 0.00 H new ATOM 0 HD11 LEU A 108 0.647 -5.623 -11.955 1.00 0.00 H new ATOM 0 HD12 LEU A 108 0.683 -4.315 -10.749 1.00 0.00 H new ATOM 0 HD13 LEU A 108 2.079 -5.404 -10.921 1.00 0.00 H new ATOM 0 HD21 LEU A 108 0.389 -7.954 -11.250 1.00 0.00 H new ATOM 0 HD22 LEU A 108 1.796 -7.866 -10.163 1.00 0.00 H new ATOM 0 HD23 LEU A 108 0.211 -8.369 -9.529 1.00 0.00 H new ATOM 1676 N VAL A 109 -1.331 -4.669 -6.311 1.00 0.00 N ATOM 1677 CA VAL A 109 -1.833 -4.741 -4.969 1.00 0.00 C ATOM 1678 C VAL A 109 -2.869 -5.793 -4.856 1.00 0.00 C ATOM 1679 O VAL A 109 -3.494 -6.173 -5.837 1.00 0.00 O ATOM 1680 CB VAL A 109 -2.446 -3.405 -4.450 1.00 0.00 C ATOM 1681 CG1 VAL A 109 -1.451 -2.282 -4.473 1.00 0.00 C ATOM 1682 CG2 VAL A 109 -3.710 -3.019 -5.199 1.00 0.00 C ATOM 0 H VAL A 109 -2.043 -4.517 -7.026 1.00 0.00 H new ATOM 0 HA VAL A 109 -0.964 -4.971 -4.353 1.00 0.00 H new ATOM 0 HB VAL A 109 -2.723 -3.585 -3.411 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -1.922 -1.371 -4.103 1.00 0.00 H new ATOM 0 HG12 VAL A 109 -0.602 -2.535 -3.838 1.00 0.00 H new ATOM 0 HG13 VAL A 109 -1.106 -2.123 -5.494 1.00 0.00 H new ATOM 0 HG21 VAL A 109 -4.098 -2.082 -4.800 1.00 0.00 H new ATOM 0 HG22 VAL A 109 -3.482 -2.896 -6.258 1.00 0.00 H new ATOM 0 HG23 VAL A 109 -4.458 -3.802 -5.078 1.00 0.00 H new ATOM 1692 N THR A 110 -3.030 -6.276 -3.700 1.00 0.00 N ATOM 1693 CA THR A 110 -4.064 -7.151 -3.423 1.00 0.00 C ATOM 1694 C THR A 110 -5.191 -6.348 -2.775 1.00 0.00 C ATOM 1695 O THR A 110 -5.006 -5.714 -1.738 1.00 0.00 O ATOM 1696 CB THR A 110 -3.567 -8.311 -2.563 1.00 0.00 C ATOM 1697 OG1 THR A 110 -2.737 -7.822 -1.509 1.00 0.00 O ATOM 1698 CG2 THR A 110 -2.783 -9.278 -3.411 1.00 0.00 C ATOM 0 H THR A 110 -2.429 -6.065 -2.904 1.00 0.00 H new ATOM 0 HA THR A 110 -4.452 -7.612 -4.332 1.00 0.00 H new ATOM 0 HB THR A 110 -4.428 -8.822 -2.132 1.00 0.00 H new ATOM 0 HG1 THR A 110 -2.425 -8.574 -0.963 1.00 0.00 H new ATOM 0 HG21 THR A 110 -2.431 -10.103 -2.791 1.00 0.00 H new ATOM 0 HG22 THR A 110 -3.421 -9.667 -4.204 1.00 0.00 H new ATOM 0 HG23 THR A 110 -1.928 -8.765 -3.852 1.00 0.00 H new ATOM 1706 N ARG A 111 -6.356 -6.442 -3.380 1.00 0.00 N ATOM 1707 CA ARG A 111 -7.548 -5.581 -3.113 1.00 0.00 C ATOM 1708 C ARG A 111 -8.095 -5.796 -1.705 1.00 0.00 C ATOM 1709 O ARG A 111 -8.871 -4.999 -1.185 1.00 0.00 O ATOM 1710 CB ARG A 111 -8.647 -5.934 -4.138 1.00 0.00 C ATOM 1711 CG ARG A 111 -9.923 -5.085 -4.084 1.00 0.00 C ATOM 1712 CD ARG A 111 -9.857 -3.816 -4.931 1.00 0.00 C ATOM 1713 NE ARG A 111 -8.824 -2.841 -4.540 1.00 0.00 N ATOM 1714 CZ ARG A 111 -8.597 -1.706 -5.222 1.00 0.00 C ATOM 1715 NH1 ARG A 111 -9.319 -1.412 -6.308 1.00 0.00 N ATOM 1716 NH2 ARG A 111 -7.664 -0.881 -4.838 1.00 0.00 N ATOM 0 H ARG A 111 -6.532 -7.139 -4.104 1.00 0.00 H new ATOM 0 HA ARG A 111 -7.247 -4.537 -3.202 1.00 0.00 H new ATOM 0 HB2 ARG A 111 -8.222 -5.850 -5.138 1.00 0.00 H new ATOM 0 HB3 ARG A 111 -8.925 -6.979 -3.996 1.00 0.00 H new ATOM 0 HG2 ARG A 111 -10.765 -5.690 -4.419 1.00 0.00 H new ATOM 0 HG3 ARG A 111 -10.121 -4.809 -3.048 1.00 0.00 H new ATOM 0 HD2 ARG A 111 -9.686 -4.102 -5.969 1.00 0.00 H new ATOM 0 HD3 ARG A 111 -10.829 -3.324 -4.892 1.00 0.00 H new ATOM 0 HE ARG A 111 -8.256 -3.036 -3.715 1.00 0.00 H new ATOM 0 HH11 ARG A 111 -10.048 -2.051 -6.624 1.00 0.00 H new ATOM 0 HH12 ARG A 111 -9.141 -0.548 -6.820 1.00 0.00 H new ATOM 0 HH21 ARG A 111 -7.101 -1.095 -4.015 1.00 0.00 H new ATOM 0 HH22 ARG A 111 -7.497 -0.021 -5.360 1.00 0.00 H new ATOM 1730 N GLN A 112 -7.666 -6.872 -1.117 1.00 0.00 N ATOM 1731 CA GLN A 112 -8.086 -7.318 0.175 1.00 0.00 C ATOM 1732 C GLN A 112 -9.499 -7.672 0.203 1.00 0.00 C ATOM 1733 O GLN A 112 -10.357 -6.965 0.700 1.00 0.00 O ATOM 1734 CB GLN A 112 -7.666 -6.426 1.300 1.00 0.00 C ATOM 1735 CG GLN A 112 -6.180 -6.352 1.404 1.00 0.00 C ATOM 1736 CD GLN A 112 -5.535 -7.711 1.334 1.00 0.00 C ATOM 1737 OE1 GLN A 112 -5.374 -8.400 2.330 1.00 0.00 O ATOM 1738 NE2 GLN A 112 -5.120 -8.066 0.148 1.00 0.00 N ATOM 0 H GLN A 112 -6.980 -7.492 -1.547 1.00 0.00 H new ATOM 0 HA GLN A 112 -7.537 -8.242 0.359 1.00 0.00 H new ATOM 0 HB2 GLN A 112 -8.073 -5.426 1.146 1.00 0.00 H new ATOM 0 HB3 GLN A 112 -8.081 -6.798 2.237 1.00 0.00 H new ATOM 0 HG2 GLN A 112 -5.792 -5.726 0.600 1.00 0.00 H new ATOM 0 HG3 GLN A 112 -5.907 -5.870 2.343 1.00 0.00 H new ATOM 0 HE21 GLN A 112 -5.279 -7.454 -0.652 1.00 0.00 H new ATOM 0 HE22 GLN A 112 -4.636 -8.955 0.022 1.00 0.00 H new ATOM 1747 N SER A 113 -9.722 -8.755 -0.400 1.00 0.00 N ATOM 1748 CA SER A 113 -11.035 -9.326 -0.504 1.00 0.00 C ATOM 1749 C SER A 113 -11.229 -10.294 0.656 1.00 0.00 C ATOM 1750 O SER A 113 -12.289 -10.869 0.877 1.00 0.00 O ATOM 1751 CB SER A 113 -11.179 -9.979 -1.872 1.00 0.00 C ATOM 1752 OG SER A 113 -10.598 -9.127 -2.870 1.00 0.00 O ATOM 0 H SER A 113 -8.994 -9.305 -0.857 1.00 0.00 H new ATOM 0 HA SER A 113 -11.819 -8.572 -0.431 1.00 0.00 H new ATOM 0 HB2 SER A 113 -10.687 -10.951 -1.877 1.00 0.00 H new ATOM 0 HB3 SER A 113 -12.232 -10.154 -2.095 1.00 0.00 H new ATOM 0 HG SER A 113 -11.283 -8.876 -3.525 1.00 0.00 H new ATOM 1758 N LEU A 114 -10.171 -10.415 1.392 1.00 0.00 N ATOM 1759 CA LEU A 114 -10.107 -11.189 2.590 1.00 0.00 C ATOM 1760 C LEU A 114 -10.487 -10.251 3.692 1.00 0.00 C ATOM 1761 O LEU A 114 -9.673 -9.446 4.160 1.00 0.00 O ATOM 1762 CB LEU A 114 -8.691 -11.753 2.808 1.00 0.00 C ATOM 1763 CG LEU A 114 -8.464 -12.558 4.097 1.00 0.00 C ATOM 1764 CD1 LEU A 114 -9.367 -13.776 4.155 1.00 0.00 C ATOM 1765 CD2 LEU A 114 -7.009 -12.971 4.215 1.00 0.00 C ATOM 0 H LEU A 114 -9.289 -9.957 1.164 1.00 0.00 H new ATOM 0 HA LEU A 114 -10.773 -12.051 2.548 1.00 0.00 H new ATOM 0 HB2 LEU A 114 -8.444 -12.391 1.959 1.00 0.00 H new ATOM 0 HB3 LEU A 114 -7.987 -10.921 2.797 1.00 0.00 H new ATOM 0 HG LEU A 114 -8.716 -11.915 4.940 1.00 0.00 H new ATOM 0 HD11 LEU A 114 -9.181 -14.323 5.079 1.00 0.00 H new ATOM 0 HD12 LEU A 114 -10.409 -13.458 4.125 1.00 0.00 H new ATOM 0 HD13 LEU A 114 -9.160 -14.423 3.302 1.00 0.00 H new ATOM 0 HD21 LEU A 114 -6.866 -13.540 5.133 1.00 0.00 H new ATOM 0 HD22 LEU A 114 -6.735 -13.588 3.359 1.00 0.00 H new ATOM 0 HD23 LEU A 114 -6.379 -12.082 4.237 1.00 0.00 H new ATOM 1777 N GLN A 115 -11.735 -10.257 3.992 1.00 0.00 N ATOM 1778 CA GLN A 115 -12.306 -9.357 4.938 1.00 0.00 C ATOM 1779 C GLN A 115 -12.976 -10.140 6.048 1.00 0.00 C ATOM 1780 O GLN A 115 -12.839 -11.381 6.121 1.00 0.00 O ATOM 1781 CB GLN A 115 -13.290 -8.446 4.202 1.00 0.00 C ATOM 1782 CG GLN A 115 -12.608 -7.572 3.148 1.00 0.00 C ATOM 1783 CD GLN A 115 -13.572 -6.859 2.231 1.00 0.00 C ATOM 1784 OE1 GLN A 115 -14.696 -6.531 2.608 1.00 0.00 O ATOM 1785 NE2 GLN A 115 -13.142 -6.600 1.029 1.00 0.00 N ATOM 0 H GLN A 115 -12.408 -10.902 3.578 1.00 0.00 H new ATOM 0 HA GLN A 115 -11.538 -8.737 5.400 1.00 0.00 H new ATOM 0 HB2 GLN A 115 -14.055 -9.056 3.722 1.00 0.00 H new ATOM 0 HB3 GLN A 115 -13.798 -7.807 4.925 1.00 0.00 H new ATOM 0 HG2 GLN A 115 -11.985 -6.832 3.651 1.00 0.00 H new ATOM 0 HG3 GLN A 115 -11.943 -8.194 2.548 1.00 0.00 H new ATOM 0 HE21 GLN A 115 -12.204 -6.887 0.750 1.00 0.00 H new ATOM 0 HE22 GLN A 115 -13.744 -6.110 0.367 1.00 0.00 H new ATOM 1794 N LYS A 116 -13.699 -9.456 6.891 1.00 0.00 N ATOM 1795 CA LYS A 116 -14.306 -10.086 8.034 1.00 0.00 C ATOM 1796 C LYS A 116 -15.665 -10.612 7.640 1.00 0.00 C ATOM 1797 O LYS A 116 -16.169 -10.293 6.552 1.00 0.00 O ATOM 1798 CB LYS A 116 -14.452 -9.078 9.176 1.00 0.00 C ATOM 1799 CG LYS A 116 -13.256 -8.148 9.317 1.00 0.00 C ATOM 1800 CD LYS A 116 -13.307 -7.323 10.583 1.00 0.00 C ATOM 1801 CE LYS A 116 -12.942 -8.152 11.802 1.00 0.00 C ATOM 1802 NZ LYS A 116 -11.600 -8.768 11.658 1.00 0.00 N ATOM 0 H LYS A 116 -13.884 -8.456 6.808 1.00 0.00 H new ATOM 0 HA LYS A 116 -13.675 -10.908 8.373 1.00 0.00 H new ATOM 0 HB2 LYS A 116 -15.349 -8.482 9.012 1.00 0.00 H new ATOM 0 HB3 LYS A 116 -14.595 -9.618 10.112 1.00 0.00 H new ATOM 0 HG2 LYS A 116 -12.339 -8.737 9.309 1.00 0.00 H new ATOM 0 HG3 LYS A 116 -13.215 -7.482 8.455 1.00 0.00 H new ATOM 0 HD2 LYS A 116 -12.622 -6.480 10.497 1.00 0.00 H new ATOM 0 HD3 LYS A 116 -14.308 -6.909 10.709 1.00 0.00 H new ATOM 0 HE2 LYS A 116 -12.961 -7.522 12.691 1.00 0.00 H new ATOM 0 HE3 LYS A 116 -13.688 -8.933 11.949 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 -11.124 -8.784 12.583 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 -11.701 -9.741 11.304 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 -11.033 -8.212 10.986 1.00 0.00 H new ATOM 1816 N ALA A 117 -16.249 -11.409 8.484 1.00 0.00 N ATOM 1817 CA ALA A 117 -17.564 -11.921 8.228 1.00 0.00 C ATOM 1818 C ALA A 117 -18.569 -11.007 8.882 1.00 0.00 C ATOM 1819 O ALA A 117 -18.274 -10.387 9.911 1.00 0.00 O ATOM 1820 CB ALA A 117 -17.705 -13.341 8.758 1.00 0.00 C ATOM 0 H ALA A 117 -15.833 -11.721 9.362 1.00 0.00 H new ATOM 0 HA ALA A 117 -17.741 -11.955 7.153 1.00 0.00 H new ATOM 0 HB1 ALA A 117 -18.711 -13.708 8.552 1.00 0.00 H new ATOM 0 HB2 ALA A 117 -16.976 -13.986 8.268 1.00 0.00 H new ATOM 0 HB3 ALA A 117 -17.530 -13.347 9.834 1.00 0.00 H new ATOM 1826 N VAL A 118 -19.728 -10.908 8.303 1.00 0.00 N ATOM 1827 CA VAL A 118 -20.764 -10.078 8.828 1.00 0.00 C ATOM 1828 C VAL A 118 -21.998 -10.936 9.108 1.00 0.00 C ATOM 1829 O VAL A 118 -23.075 -10.809 8.500 1.00 0.00 O ATOM 1830 CB VAL A 118 -21.055 -8.806 7.941 1.00 0.00 C ATOM 1831 CG1 VAL A 118 -21.499 -9.157 6.521 1.00 0.00 C ATOM 1832 CG2 VAL A 118 -22.044 -7.856 8.621 1.00 0.00 C ATOM 0 H VAL A 118 -19.980 -11.405 7.448 1.00 0.00 H new ATOM 0 HA VAL A 118 -20.427 -9.652 9.773 1.00 0.00 H new ATOM 0 HB VAL A 118 -20.105 -8.281 7.843 1.00 0.00 H new ATOM 0 HG11 VAL A 118 -21.684 -8.241 5.961 1.00 0.00 H new ATOM 0 HG12 VAL A 118 -20.716 -9.733 6.027 1.00 0.00 H new ATOM 0 HG13 VAL A 118 -22.414 -9.748 6.562 1.00 0.00 H new ATOM 0 HG21 VAL A 118 -22.219 -6.992 7.979 1.00 0.00 H new ATOM 0 HG22 VAL A 118 -22.986 -8.375 8.795 1.00 0.00 H new ATOM 0 HG23 VAL A 118 -21.632 -7.523 9.574 1.00 0.00 H new ATOM 1842 N GLN A 119 -21.782 -11.882 9.981 1.00 0.00 N ATOM 1843 CA GLN A 119 -22.810 -12.804 10.412 1.00 0.00 C ATOM 1844 C GLN A 119 -23.721 -12.087 11.396 1.00 0.00 C ATOM 1845 O GLN A 119 -24.915 -12.382 11.502 1.00 0.00 O ATOM 1846 CB GLN A 119 -22.158 -14.015 11.081 1.00 0.00 C ATOM 1847 CG GLN A 119 -23.127 -15.099 11.499 1.00 0.00 C ATOM 1848 CD GLN A 119 -22.445 -16.211 12.255 1.00 0.00 C ATOM 1849 OE1 GLN A 119 -21.969 -17.182 11.664 1.00 0.00 O ATOM 1850 NE2 GLN A 119 -22.405 -16.095 13.551 1.00 0.00 N ATOM 0 H GLN A 119 -20.876 -12.040 10.422 1.00 0.00 H new ATOM 0 HA GLN A 119 -23.394 -13.148 9.558 1.00 0.00 H new ATOM 0 HB2 GLN A 119 -21.427 -14.443 10.395 1.00 0.00 H new ATOM 0 HB3 GLN A 119 -21.610 -13.677 11.960 1.00 0.00 H new ATOM 0 HG2 GLN A 119 -23.909 -14.665 12.122 1.00 0.00 H new ATOM 0 HG3 GLN A 119 -23.615 -15.509 10.615 1.00 0.00 H new ATOM 0 HE21 GLN A 119 -22.811 -15.275 14.002 1.00 0.00 H new ATOM 0 HE22 GLN A 119 -21.968 -16.824 14.115 1.00 0.00 H new ATOM 1859 N GLN A 120 -23.136 -11.137 12.098 1.00 0.00 N ATOM 1860 CA GLN A 120 -23.845 -10.318 13.056 1.00 0.00 C ATOM 1861 C GLN A 120 -24.823 -9.397 12.334 1.00 0.00 C ATOM 1862 O GLN A 120 -24.605 -9.024 11.181 1.00 0.00 O ATOM 1863 CB GLN A 120 -22.852 -9.489 13.888 1.00 0.00 C ATOM 1864 CG GLN A 120 -22.007 -8.505 13.077 1.00 0.00 C ATOM 1865 CD GLN A 120 -21.056 -7.673 13.927 1.00 0.00 C ATOM 1866 OE1 GLN A 120 -20.584 -8.225 15.021 1.00 0.00 O flip ATOM 1867 NE2 GLN A 120 -20.748 -6.528 13.589 1.00 0.00 N flip ATOM 0 H GLN A 120 -22.145 -10.911 12.017 1.00 0.00 H new ATOM 0 HA GLN A 120 -24.404 -10.969 13.728 1.00 0.00 H new ATOM 0 HB2 GLN A 120 -23.407 -8.934 14.644 1.00 0.00 H new ATOM 0 HB3 GLN A 120 -22.185 -10.169 14.418 1.00 0.00 H new ATOM 0 HG2 GLN A 120 -21.429 -9.059 12.337 1.00 0.00 H new ATOM 0 HG3 GLN A 120 -22.670 -7.836 12.528 1.00 0.00 H new ATOM 0 HE21 GLN A 120 -21.132 -6.128 12.733 1.00 0.00 H new ATOM 0 HE22 GLN A 120 -20.109 -5.981 14.165 1.00 0.00 H new ATOM 1876 N SER A 121 -25.901 -9.074 12.984 1.00 0.00 N ATOM 1877 CA SER A 121 -26.885 -8.193 12.428 1.00 0.00 C ATOM 1878 C SER A 121 -27.351 -7.237 13.519 1.00 0.00 C ATOM 1879 O SER A 121 -28.013 -7.640 14.478 1.00 0.00 O ATOM 1880 CB SER A 121 -28.039 -9.017 11.846 1.00 0.00 C ATOM 1881 OG SER A 121 -27.533 -9.964 10.891 1.00 0.00 O ATOM 0 H SER A 121 -26.124 -9.415 13.919 1.00 0.00 H new ATOM 0 HA SER A 121 -26.466 -7.602 11.613 1.00 0.00 H new ATOM 0 HB2 SER A 121 -28.563 -9.540 12.646 1.00 0.00 H new ATOM 0 HB3 SER A 121 -28.763 -8.357 11.368 1.00 0.00 H new ATOM 0 HG SER A 121 -28.276 -10.488 10.525 1.00 0.00 H new ATOM 1887 N MET A 122 -26.942 -5.996 13.406 1.00 0.00 N ATOM 1888 CA MET A 122 -27.240 -4.999 14.409 1.00 0.00 C ATOM 1889 C MET A 122 -28.593 -4.375 14.177 1.00 0.00 C ATOM 1890 O MET A 122 -28.775 -3.556 13.271 1.00 0.00 O ATOM 1891 CB MET A 122 -26.150 -3.923 14.475 1.00 0.00 C ATOM 1892 CG MET A 122 -24.793 -4.446 14.917 1.00 0.00 C ATOM 1893 SD MET A 122 -23.531 -3.152 15.073 1.00 0.00 S ATOM 1894 CE MET A 122 -23.358 -2.606 13.376 1.00 0.00 C ATOM 0 H MET A 122 -26.395 -5.648 12.619 1.00 0.00 H new ATOM 0 HA MET A 122 -27.264 -5.509 15.372 1.00 0.00 H new ATOM 0 HB2 MET A 122 -26.048 -3.462 13.492 1.00 0.00 H new ATOM 0 HB3 MET A 122 -26.468 -3.140 15.163 1.00 0.00 H new ATOM 0 HG2 MET A 122 -24.903 -4.952 15.876 1.00 0.00 H new ATOM 0 HG3 MET A 122 -24.450 -5.192 14.200 1.00 0.00 H new ATOM 0 HE1 MET A 122 -22.466 -1.987 13.282 1.00 0.00 H new ATOM 0 HE2 MET A 122 -23.268 -3.473 12.722 1.00 0.00 H new ATOM 0 HE3 MET A 122 -24.235 -2.025 13.090 1.00 0.00 H new ATOM 1904 N LEU A 123 -29.549 -4.783 14.966 1.00 0.00 N ATOM 1905 CA LEU A 123 -30.869 -4.248 14.862 1.00 0.00 C ATOM 1906 C LEU A 123 -31.095 -3.311 16.045 1.00 0.00 C ATOM 1907 O LEU A 123 -31.468 -3.752 17.137 1.00 0.00 O ATOM 1908 CB LEU A 123 -31.910 -5.399 14.801 1.00 0.00 C ATOM 1909 CG LEU A 123 -33.344 -5.072 14.291 1.00 0.00 C ATOM 1910 CD1 LEU A 123 -34.108 -6.358 14.068 1.00 0.00 C ATOM 1911 CD2 LEU A 123 -34.125 -4.192 15.265 1.00 0.00 C ATOM 0 H LEU A 123 -29.432 -5.490 15.692 1.00 0.00 H new ATOM 0 HA LEU A 123 -30.990 -3.677 13.941 1.00 0.00 H new ATOM 0 HB2 LEU A 123 -31.501 -6.183 14.164 1.00 0.00 H new ATOM 0 HB3 LEU A 123 -32.001 -5.818 15.803 1.00 0.00 H new ATOM 0 HG LEU A 123 -33.235 -4.519 13.358 1.00 0.00 H new ATOM 0 HD11 LEU A 123 -35.112 -6.128 13.711 1.00 0.00 H new ATOM 0 HD12 LEU A 123 -33.589 -6.965 13.326 1.00 0.00 H new ATOM 0 HD13 LEU A 123 -34.174 -6.909 15.006 1.00 0.00 H new ATOM 0 HD21 LEU A 123 -35.118 -3.994 14.861 1.00 0.00 H new ATOM 0 HD22 LEU A 123 -34.218 -4.704 16.223 1.00 0.00 H new ATOM 0 HD23 LEU A 123 -33.597 -3.249 15.407 1.00 0.00 H new ATOM 1923 N SER A 124 -30.743 -2.063 15.832 1.00 0.00 N ATOM 1924 CA SER A 124 -30.921 -0.967 16.771 1.00 0.00 C ATOM 1925 C SER A 124 -30.331 0.271 16.107 1.00 0.00 C ATOM 1926 O SER A 124 -31.077 0.981 15.408 1.00 0.00 O ATOM 1927 CB SER A 124 -30.249 -1.243 18.150 1.00 0.00 C ATOM 1928 OG SER A 124 -30.548 -0.221 19.107 1.00 0.00 O ATOM 1929 OXT SER A 124 -29.092 0.494 16.186 1.00 0.00 O ATOM 0 H SER A 124 -30.304 -1.766 14.960 1.00 0.00 H new ATOM 0 HA SER A 124 -31.980 -0.834 16.992 1.00 0.00 H new ATOM 0 HB2 SER A 124 -30.587 -2.207 18.531 1.00 0.00 H new ATOM 0 HB3 SER A 124 -29.169 -1.313 18.019 1.00 0.00 H new ATOM 0 HG SER A 124 -30.110 -0.431 19.958 1.00 0.00 H new TER 1935 SER A 124