USER MOD reduce.3.24.130724 H: found=0, std=0, add=729, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 724 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 46 THR OG1 : rot -67:sc= 1.61 USER MOD Set 1.2: A 48 THR OG1 : rot -100:sc= 1.2 USER MOD Set 2.1: A 25 LYS NZ :NH3+ -178:sc= -0.945! (180deg=-1.64!) USER MOD Set 2.2: A 28 HIS : no HD1:sc= -1.49 K(o=-2.4,f=-10!) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= -0.106 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 14 GLN : amide:sc= -0.0101 X(o=-0.01,f=-0.3) USER MOD Single : A 15 THR OG1 : rot 180:sc= -0.0604 USER MOD Single : A 16 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 18 SER OG : rot 39:sc= 0.00577 USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 HIS : no HE2:sc= -11.2! C(o=-11!,f=-14!) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= -0.356 X(o=-0.36,f=-0.014) USER MOD Single : A 45 LYS NZ :NH3+ 165:sc=-0.00763 (180deg=-0.119) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 60 ASN : amide:sc= 1.22 K(o=1.2,f=-3.8!) USER MOD Single : A 61 GLN : amide:sc= -0.0132 X(o=-0.013,f=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 THR OG1 : rot 180:sc= -1.06 USER MOD Single : A 67 THR OG1 : rot 180:sc= 0.595 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ 169:sc=-2.17e-05 (180deg=-0.0695) USER MOD Single : A 76 HIS : no HD1:sc= 0 X(o=0,f=-0.18) USER MOD Single : A 82 SER OG : rot 103:sc= 1.09 USER MOD Single : A 85 GLN : amide:sc= -0.785 K(o=-0.78,f=-2.6) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 SER OG : rot 180:sc= -0.217 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -13.400 -20.624 3.352 1.00 0.00 N ATOM 2 CA GLY A 1 -14.688 -20.339 3.959 1.00 0.00 C ATOM 3 C GLY A 1 -15.116 -21.413 4.940 1.00 0.00 C ATOM 4 O GLY A 1 -14.910 -21.279 6.146 1.00 0.00 O ATOM 0 H1 GLY A 1 -13.152 -19.861 2.690 1.00 0.00 H new ATOM 0 H2 GLY A 1 -12.674 -20.689 4.093 1.00 0.00 H new ATOM 0 H3 GLY A 1 -13.451 -21.526 2.837 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -14.639 -19.379 4.474 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -15.442 -20.244 3.177 1.00 0.00 H new ATOM 8 N SER A 2 -15.717 -22.479 4.422 1.00 0.00 N ATOM 9 CA SER A 2 -16.182 -23.578 5.261 1.00 0.00 C ATOM 10 C SER A 2 -15.061 -24.583 5.510 1.00 0.00 C ATOM 11 O SER A 2 -14.826 -24.998 6.644 1.00 0.00 O ATOM 12 CB SER A 2 -17.373 -24.278 4.607 1.00 0.00 C ATOM 13 OG SER A 2 -18.577 -23.572 4.852 1.00 0.00 O ATOM 0 H SER A 2 -15.894 -22.605 3.425 1.00 0.00 H new ATOM 0 HA SER A 2 -16.495 -23.164 6.219 1.00 0.00 H new ATOM 0 HB2 SER A 2 -17.207 -24.358 3.533 1.00 0.00 H new ATOM 0 HB3 SER A 2 -17.458 -25.294 4.993 1.00 0.00 H new ATOM 0 HG SER A 2 -19.323 -24.039 4.422 1.00 0.00 H new ATOM 19 N SER A 3 -14.371 -24.967 4.440 1.00 0.00 N ATOM 20 CA SER A 3 -13.277 -25.926 4.541 1.00 0.00 C ATOM 21 C SER A 3 -12.052 -25.287 5.187 1.00 0.00 C ATOM 22 O SER A 3 -11.514 -25.800 6.167 1.00 0.00 O ATOM 23 CB SER A 3 -12.914 -26.465 3.155 1.00 0.00 C ATOM 24 OG SER A 3 -12.588 -25.409 2.268 1.00 0.00 O ATOM 0 H SER A 3 -14.550 -24.629 3.494 1.00 0.00 H new ATOM 0 HA SER A 3 -13.608 -26.753 5.170 1.00 0.00 H new ATOM 0 HB2 SER A 3 -12.070 -27.149 3.237 1.00 0.00 H new ATOM 0 HB3 SER A 3 -13.750 -27.037 2.753 1.00 0.00 H new ATOM 0 HG SER A 3 -12.358 -25.779 1.390 1.00 0.00 H new ATOM 30 N GLY A 4 -11.616 -24.161 4.630 1.00 0.00 N ATOM 31 CA GLY A 4 -10.458 -23.469 5.164 1.00 0.00 C ATOM 32 C GLY A 4 -9.205 -23.720 4.349 1.00 0.00 C ATOM 33 O GLY A 4 -8.534 -24.736 4.529 1.00 0.00 O ATOM 0 H GLY A 4 -12.044 -23.716 3.818 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -10.660 -22.398 5.193 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -10.289 -23.790 6.192 1.00 0.00 H new ATOM 37 N SER A 5 -8.891 -22.795 3.448 1.00 0.00 N ATOM 38 CA SER A 5 -7.713 -22.925 2.598 1.00 0.00 C ATOM 39 C SER A 5 -6.553 -23.549 3.368 1.00 0.00 C ATOM 40 O SER A 5 -6.050 -22.970 4.331 1.00 0.00 O ATOM 41 CB SER A 5 -7.300 -21.557 2.052 1.00 0.00 C ATOM 42 OG SER A 5 -8.121 -21.174 0.962 1.00 0.00 O ATOM 0 H SER A 5 -9.436 -21.948 3.288 1.00 0.00 H new ATOM 0 HA SER A 5 -7.967 -23.580 1.765 1.00 0.00 H new ATOM 0 HB2 SER A 5 -7.369 -20.810 2.843 1.00 0.00 H new ATOM 0 HB3 SER A 5 -6.258 -21.589 1.733 1.00 0.00 H new ATOM 0 HG SER A 5 -7.838 -20.296 0.632 1.00 0.00 H new ATOM 48 N SER A 6 -6.135 -24.735 2.936 1.00 0.00 N ATOM 49 CA SER A 6 -5.038 -25.442 3.586 1.00 0.00 C ATOM 50 C SER A 6 -3.839 -25.563 2.649 1.00 0.00 C ATOM 51 O SER A 6 -3.978 -25.959 1.493 1.00 0.00 O ATOM 52 CB SER A 6 -5.491 -26.832 4.033 1.00 0.00 C ATOM 53 OG SER A 6 -4.430 -27.543 4.647 1.00 0.00 O ATOM 0 H SER A 6 -6.540 -25.226 2.139 1.00 0.00 H new ATOM 0 HA SER A 6 -4.737 -24.867 4.462 1.00 0.00 H new ATOM 0 HB2 SER A 6 -6.323 -26.739 4.732 1.00 0.00 H new ATOM 0 HB3 SER A 6 -5.858 -27.392 3.173 1.00 0.00 H new ATOM 0 HG SER A 6 -4.747 -28.428 4.925 1.00 0.00 H new ATOM 59 N GLY A 7 -2.661 -25.216 3.159 1.00 0.00 N ATOM 60 CA GLY A 7 -1.454 -25.292 2.355 1.00 0.00 C ATOM 61 C GLY A 7 -0.687 -23.985 2.337 1.00 0.00 C ATOM 62 O GLY A 7 -1.282 -22.908 2.336 1.00 0.00 O ATOM 0 H GLY A 7 -2.521 -24.884 4.113 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -0.811 -26.082 2.744 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -1.718 -25.569 1.334 1.00 0.00 H new ATOM 66 N ASP A 8 0.639 -24.080 2.323 1.00 0.00 N ATOM 67 CA ASP A 8 1.489 -22.895 2.305 1.00 0.00 C ATOM 68 C ASP A 8 2.674 -23.091 1.364 1.00 0.00 C ATOM 69 O ASP A 8 3.487 -23.996 1.555 1.00 0.00 O ATOM 70 CB ASP A 8 1.989 -22.579 3.716 1.00 0.00 C ATOM 71 CG ASP A 8 2.912 -21.377 3.746 1.00 0.00 C ATOM 72 OD1 ASP A 8 3.504 -21.057 2.694 1.00 0.00 O ATOM 73 OD2 ASP A 8 3.046 -20.759 4.823 1.00 0.00 O ATOM 0 H ASP A 8 1.147 -24.964 2.324 1.00 0.00 H new ATOM 0 HA ASP A 8 0.895 -22.057 1.942 1.00 0.00 H new ATOM 0 HB2 ASP A 8 1.135 -22.395 4.368 1.00 0.00 H new ATOM 0 HB3 ASP A 8 2.514 -23.447 4.115 1.00 0.00 H new ATOM 78 N ILE A 9 2.763 -22.239 0.349 1.00 0.00 N ATOM 79 CA ILE A 9 3.849 -22.319 -0.622 1.00 0.00 C ATOM 80 C ILE A 9 5.091 -21.593 -0.119 1.00 0.00 C ATOM 81 O ILE A 9 5.005 -20.480 0.401 1.00 0.00 O ATOM 82 CB ILE A 9 3.433 -21.723 -1.980 1.00 0.00 C ATOM 83 CG1 ILE A 9 2.206 -22.454 -2.529 1.00 0.00 C ATOM 84 CG2 ILE A 9 4.588 -21.800 -2.967 1.00 0.00 C ATOM 85 CD1 ILE A 9 1.484 -21.688 -3.615 1.00 0.00 C ATOM 0 H ILE A 9 2.097 -21.486 0.177 1.00 0.00 H new ATOM 0 HA ILE A 9 4.079 -23.376 -0.753 1.00 0.00 H new ATOM 0 HB ILE A 9 3.172 -20.674 -1.836 1.00 0.00 H new ATOM 0 HG12 ILE A 9 2.516 -23.422 -2.923 1.00 0.00 H new ATOM 0 HG13 ILE A 9 1.513 -22.649 -1.711 1.00 0.00 H new ATOM 0 HG21 ILE A 9 4.279 -21.375 -3.922 1.00 0.00 H new ATOM 0 HG22 ILE A 9 5.437 -21.239 -2.578 1.00 0.00 H new ATOM 0 HG23 ILE A 9 4.876 -22.842 -3.109 1.00 0.00 H new ATOM 0 HD11 ILE A 9 0.625 -22.265 -3.958 1.00 0.00 H new ATOM 0 HD12 ILE A 9 1.144 -20.731 -3.220 1.00 0.00 H new ATOM 0 HD13 ILE A 9 2.162 -21.516 -4.451 1.00 0.00 H new ATOM 97 N VAL A 10 6.247 -22.230 -0.276 1.00 0.00 N ATOM 98 CA VAL A 10 7.508 -21.643 0.159 1.00 0.00 C ATOM 99 C VAL A 10 8.453 -21.434 -1.018 1.00 0.00 C ATOM 100 O VAL A 10 8.482 -22.234 -1.954 1.00 0.00 O ATOM 101 CB VAL A 10 8.204 -22.528 1.211 1.00 0.00 C ATOM 102 CG1 VAL A 10 8.585 -23.873 0.612 1.00 0.00 C ATOM 103 CG2 VAL A 10 9.429 -21.821 1.774 1.00 0.00 C ATOM 0 H VAL A 10 6.336 -23.153 -0.701 1.00 0.00 H new ATOM 0 HA VAL A 10 7.271 -20.677 0.605 1.00 0.00 H new ATOM 0 HB VAL A 10 7.506 -22.707 2.029 1.00 0.00 H new ATOM 0 HG11 VAL A 10 9.075 -24.483 1.370 1.00 0.00 H new ATOM 0 HG12 VAL A 10 7.688 -24.382 0.261 1.00 0.00 H new ATOM 0 HG13 VAL A 10 9.266 -23.719 -0.225 1.00 0.00 H new ATOM 0 HG21 VAL A 10 9.909 -22.460 2.516 1.00 0.00 H new ATOM 0 HG22 VAL A 10 10.131 -21.611 0.967 1.00 0.00 H new ATOM 0 HG23 VAL A 10 9.125 -20.885 2.243 1.00 0.00 H new ATOM 113 N ALA A 11 9.224 -20.353 -0.966 1.00 0.00 N ATOM 114 CA ALA A 11 10.172 -20.039 -2.027 1.00 0.00 C ATOM 115 C ALA A 11 11.069 -18.870 -1.635 1.00 0.00 C ATOM 116 O ALA A 11 10.605 -17.738 -1.500 1.00 0.00 O ATOM 117 CB ALA A 11 9.433 -19.728 -3.321 1.00 0.00 C ATOM 0 H ALA A 11 9.210 -19.680 -0.200 1.00 0.00 H new ATOM 0 HA ALA A 11 10.805 -20.912 -2.183 1.00 0.00 H new ATOM 0 HB1 ALA A 11 10.154 -19.495 -4.105 1.00 0.00 H new ATOM 0 HB2 ALA A 11 8.840 -20.593 -3.618 1.00 0.00 H new ATOM 0 HB3 ALA A 11 8.775 -18.873 -3.168 1.00 0.00 H new ATOM 123 N ARG A 12 12.355 -19.152 -1.453 1.00 0.00 N ATOM 124 CA ARG A 12 13.316 -18.123 -1.073 1.00 0.00 C ATOM 125 C ARG A 12 13.230 -16.925 -2.014 1.00 0.00 C ATOM 126 O ARG A 12 12.497 -16.951 -3.004 1.00 0.00 O ATOM 127 CB ARG A 12 14.736 -18.693 -1.084 1.00 0.00 C ATOM 128 CG ARG A 12 15.180 -19.194 -2.448 1.00 0.00 C ATOM 129 CD ARG A 12 16.636 -19.633 -2.433 1.00 0.00 C ATOM 130 NE ARG A 12 16.795 -20.989 -1.913 1.00 0.00 N ATOM 131 CZ ARG A 12 17.917 -21.690 -2.019 1.00 0.00 C ATOM 132 NH1 ARG A 12 18.977 -21.166 -2.621 1.00 0.00 N ATOM 133 NH2 ARG A 12 17.984 -22.918 -1.520 1.00 0.00 N ATOM 0 H ARG A 12 12.755 -20.084 -1.562 1.00 0.00 H new ATOM 0 HA ARG A 12 13.073 -17.789 -0.064 1.00 0.00 H new ATOM 0 HB2 ARG A 12 15.430 -17.924 -0.745 1.00 0.00 H new ATOM 0 HB3 ARG A 12 14.795 -19.513 -0.368 1.00 0.00 H new ATOM 0 HG2 ARG A 12 14.550 -20.030 -2.753 1.00 0.00 H new ATOM 0 HG3 ARG A 12 15.044 -18.406 -3.188 1.00 0.00 H new ATOM 0 HD2 ARG A 12 17.040 -19.583 -3.444 1.00 0.00 H new ATOM 0 HD3 ARG A 12 17.217 -18.941 -1.823 1.00 0.00 H new ATOM 0 HE ARG A 12 16.000 -21.421 -1.442 1.00 0.00 H new ATOM 0 HH11 ARG A 12 18.931 -20.222 -3.004 1.00 0.00 H new ATOM 0 HH12 ARG A 12 19.838 -21.707 -2.701 1.00 0.00 H new ATOM 0 HH21 ARG A 12 17.173 -23.324 -1.054 1.00 0.00 H new ATOM 0 HH22 ARG A 12 18.847 -23.456 -1.602 1.00 0.00 H new ATOM 147 N LEU A 13 13.983 -15.877 -1.700 1.00 0.00 N ATOM 148 CA LEU A 13 13.992 -14.669 -2.516 1.00 0.00 C ATOM 149 C LEU A 13 15.372 -14.432 -3.122 1.00 0.00 C ATOM 150 O LEU A 13 16.376 -14.408 -2.412 1.00 0.00 O ATOM 151 CB LEU A 13 13.577 -13.459 -1.676 1.00 0.00 C ATOM 152 CG LEU A 13 14.340 -13.257 -0.367 1.00 0.00 C ATOM 153 CD1 LEU A 13 14.342 -11.787 0.027 1.00 0.00 C ATOM 154 CD2 LEU A 13 13.736 -14.107 0.740 1.00 0.00 C ATOM 0 H LEU A 13 14.596 -15.840 -0.885 1.00 0.00 H new ATOM 0 HA LEU A 13 13.277 -14.803 -3.327 1.00 0.00 H new ATOM 0 HB2 LEU A 13 13.695 -12.562 -2.284 1.00 0.00 H new ATOM 0 HB3 LEU A 13 12.516 -13.550 -1.444 1.00 0.00 H new ATOM 0 HG LEU A 13 15.372 -13.574 -0.517 1.00 0.00 H new ATOM 0 HD11 LEU A 13 14.889 -11.661 0.961 1.00 0.00 H new ATOM 0 HD12 LEU A 13 14.822 -11.201 -0.757 1.00 0.00 H new ATOM 0 HD13 LEU A 13 13.316 -11.444 0.159 1.00 0.00 H new ATOM 0 HD21 LEU A 13 14.292 -13.950 1.664 1.00 0.00 H new ATOM 0 HD22 LEU A 13 12.695 -13.822 0.890 1.00 0.00 H new ATOM 0 HD23 LEU A 13 13.787 -15.159 0.460 1.00 0.00 H new ATOM 166 N GLN A 14 15.411 -14.254 -4.439 1.00 0.00 N ATOM 167 CA GLN A 14 16.668 -14.017 -5.140 1.00 0.00 C ATOM 168 C GLN A 14 17.219 -12.633 -4.815 1.00 0.00 C ATOM 169 O GLN A 14 18.402 -12.481 -4.507 1.00 0.00 O ATOM 170 CB GLN A 14 16.467 -14.159 -6.650 1.00 0.00 C ATOM 171 CG GLN A 14 15.406 -13.227 -7.213 1.00 0.00 C ATOM 172 CD GLN A 14 14.935 -13.645 -8.592 1.00 0.00 C ATOM 173 OE1 GLN A 14 14.626 -14.814 -8.828 1.00 0.00 O ATOM 174 NE2 GLN A 14 14.878 -12.690 -9.513 1.00 0.00 N ATOM 0 H GLN A 14 14.588 -14.269 -5.041 1.00 0.00 H new ATOM 0 HA GLN A 14 17.390 -14.762 -4.805 1.00 0.00 H new ATOM 0 HB2 GLN A 14 17.414 -13.965 -7.154 1.00 0.00 H new ATOM 0 HB3 GLN A 14 16.191 -15.189 -6.876 1.00 0.00 H new ATOM 0 HG2 GLN A 14 14.553 -13.201 -6.534 1.00 0.00 H new ATOM 0 HG3 GLN A 14 15.806 -12.214 -7.261 1.00 0.00 H new ATOM 0 HE21 GLN A 14 15.143 -11.735 -9.274 1.00 0.00 H new ATOM 0 HE22 GLN A 14 14.569 -12.912 -10.459 1.00 0.00 H new ATOM 183 N THR A 15 16.355 -11.625 -4.887 1.00 0.00 N ATOM 184 CA THR A 15 16.757 -10.253 -4.602 1.00 0.00 C ATOM 185 C THR A 15 15.556 -9.400 -4.208 1.00 0.00 C ATOM 186 O THR A 15 14.430 -9.890 -4.145 1.00 0.00 O ATOM 187 CB THR A 15 17.454 -9.609 -5.815 1.00 0.00 C ATOM 188 OG1 THR A 15 16.736 -9.918 -7.014 1.00 0.00 O ATOM 189 CG2 THR A 15 18.889 -10.097 -5.937 1.00 0.00 C ATOM 0 H THR A 15 15.373 -11.733 -5.140 1.00 0.00 H new ATOM 0 HA THR A 15 17.459 -10.295 -3.769 1.00 0.00 H new ATOM 0 HB THR A 15 17.466 -8.529 -5.668 1.00 0.00 H new ATOM 0 HG1 THR A 15 17.185 -9.503 -7.780 1.00 0.00 H new ATOM 0 HG21 THR A 15 19.360 -9.628 -6.801 1.00 0.00 H new ATOM 0 HG22 THR A 15 19.441 -9.833 -5.035 1.00 0.00 H new ATOM 0 HG23 THR A 15 18.896 -11.180 -6.063 1.00 0.00 H new ATOM 197 N GLN A 16 15.807 -8.122 -3.942 1.00 0.00 N ATOM 198 CA GLN A 16 14.745 -7.202 -3.553 1.00 0.00 C ATOM 199 C GLN A 16 13.494 -7.425 -4.396 1.00 0.00 C ATOM 200 O GLN A 16 13.576 -7.608 -5.610 1.00 0.00 O ATOM 201 CB GLN A 16 15.219 -5.754 -3.696 1.00 0.00 C ATOM 202 CG GLN A 16 16.108 -5.289 -2.555 1.00 0.00 C ATOM 203 CD GLN A 16 15.318 -4.713 -1.397 1.00 0.00 C ATOM 204 OE1 GLN A 16 14.940 -3.541 -1.410 1.00 0.00 O ATOM 205 NE2 GLN A 16 15.063 -5.536 -0.386 1.00 0.00 N ATOM 0 H GLN A 16 16.735 -7.701 -3.989 1.00 0.00 H new ATOM 0 HA GLN A 16 14.496 -7.395 -2.510 1.00 0.00 H new ATOM 0 HB2 GLN A 16 15.763 -5.650 -4.635 1.00 0.00 H new ATOM 0 HB3 GLN A 16 14.349 -5.100 -3.757 1.00 0.00 H new ATOM 0 HG2 GLN A 16 16.706 -6.128 -2.200 1.00 0.00 H new ATOM 0 HG3 GLN A 16 16.804 -4.536 -2.925 1.00 0.00 H new ATOM 0 HE21 GLN A 16 15.395 -6.500 -0.417 1.00 0.00 H new ATOM 0 HE22 GLN A 16 14.535 -5.204 0.421 1.00 0.00 H new ATOM 214 N ALA A 17 12.337 -7.411 -3.743 1.00 0.00 N ATOM 215 CA ALA A 17 11.068 -7.612 -4.433 1.00 0.00 C ATOM 216 C ALA A 17 10.232 -6.336 -4.425 1.00 0.00 C ATOM 217 O ALA A 17 10.356 -5.507 -3.525 1.00 0.00 O ATOM 218 CB ALA A 17 10.295 -8.756 -3.795 1.00 0.00 C ATOM 0 H ALA A 17 12.252 -7.263 -2.737 1.00 0.00 H new ATOM 0 HA ALA A 17 11.283 -7.869 -5.470 1.00 0.00 H new ATOM 0 HB1 ALA A 17 9.350 -8.894 -4.320 1.00 0.00 H new ATOM 0 HB2 ALA A 17 10.883 -9.672 -3.858 1.00 0.00 H new ATOM 0 HB3 ALA A 17 10.098 -8.523 -2.749 1.00 0.00 H new ATOM 224 N SER A 18 9.380 -6.186 -5.435 1.00 0.00 N ATOM 225 CA SER A 18 8.527 -5.010 -5.548 1.00 0.00 C ATOM 226 C SER A 18 7.142 -5.390 -6.064 1.00 0.00 C ATOM 227 O SER A 18 7.013 -6.065 -7.085 1.00 0.00 O ATOM 228 CB SER A 18 9.165 -3.977 -6.478 1.00 0.00 C ATOM 229 OG SER A 18 9.684 -4.593 -7.644 1.00 0.00 O ATOM 0 H SER A 18 9.263 -6.865 -6.187 1.00 0.00 H new ATOM 0 HA SER A 18 8.418 -4.575 -4.555 1.00 0.00 H new ATOM 0 HB2 SER A 18 8.424 -3.228 -6.758 1.00 0.00 H new ATOM 0 HB3 SER A 18 9.964 -3.454 -5.952 1.00 0.00 H new ATOM 0 HG SER A 18 9.071 -5.297 -7.942 1.00 0.00 H new ATOM 235 N ALA A 19 6.111 -4.952 -5.351 1.00 0.00 N ATOM 236 CA ALA A 19 4.736 -5.244 -5.737 1.00 0.00 C ATOM 237 C ALA A 19 3.934 -3.960 -5.926 1.00 0.00 C ATOM 238 O ALA A 19 4.402 -2.869 -5.595 1.00 0.00 O ATOM 239 CB ALA A 19 4.073 -6.134 -4.697 1.00 0.00 C ATOM 0 H ALA A 19 6.201 -4.393 -4.502 1.00 0.00 H new ATOM 0 HA ALA A 19 4.757 -5.772 -6.690 1.00 0.00 H new ATOM 0 HB1 ALA A 19 3.047 -6.344 -4.999 1.00 0.00 H new ATOM 0 HB2 ALA A 19 4.625 -7.070 -4.614 1.00 0.00 H new ATOM 0 HB3 ALA A 19 4.071 -5.627 -3.732 1.00 0.00 H new ATOM 245 N THR A 20 2.725 -4.096 -6.461 1.00 0.00 N ATOM 246 CA THR A 20 1.859 -2.947 -6.695 1.00 0.00 C ATOM 247 C THR A 20 0.413 -3.265 -6.332 1.00 0.00 C ATOM 248 O THR A 20 0.020 -4.431 -6.270 1.00 0.00 O ATOM 249 CB THR A 20 1.919 -2.489 -8.164 1.00 0.00 C ATOM 250 OG1 THR A 20 1.987 -3.627 -9.030 1.00 0.00 O ATOM 251 CG2 THR A 20 3.124 -1.592 -8.401 1.00 0.00 C ATOM 0 H THR A 20 2.323 -4.991 -6.741 1.00 0.00 H new ATOM 0 HA THR A 20 2.222 -2.142 -6.056 1.00 0.00 H new ATOM 0 HB THR A 20 1.014 -1.921 -8.382 1.00 0.00 H new ATOM 0 HG1 THR A 20 2.023 -3.327 -9.962 1.00 0.00 H new ATOM 0 HG21 THR A 20 3.146 -1.281 -9.445 1.00 0.00 H new ATOM 0 HG22 THR A 20 3.054 -0.712 -7.761 1.00 0.00 H new ATOM 0 HG23 THR A 20 4.037 -2.139 -8.166 1.00 0.00 H new ATOM 259 N VAL A 21 -0.376 -2.222 -6.094 1.00 0.00 N ATOM 260 CA VAL A 21 -1.781 -2.391 -5.740 1.00 0.00 C ATOM 261 C VAL A 21 -2.669 -1.458 -6.555 1.00 0.00 C ATOM 262 O VAL A 21 -2.686 -0.247 -6.330 1.00 0.00 O ATOM 263 CB VAL A 21 -2.016 -2.128 -4.240 1.00 0.00 C ATOM 264 CG1 VAL A 21 -1.487 -0.757 -3.849 1.00 0.00 C ATOM 265 CG2 VAL A 21 -3.494 -2.254 -3.904 1.00 0.00 C ATOM 0 H VAL A 21 -0.066 -1.251 -6.140 1.00 0.00 H new ATOM 0 HA VAL A 21 -2.043 -3.425 -5.966 1.00 0.00 H new ATOM 0 HB VAL A 21 -1.471 -2.878 -3.667 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -1.662 -0.589 -2.786 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -0.417 -0.708 -4.053 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -2.002 0.010 -4.427 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -3.643 -2.065 -2.841 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -4.062 -1.527 -4.485 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -3.838 -3.260 -4.146 1.00 0.00 H new ATOM 275 N ALA A 22 -3.407 -2.028 -7.501 1.00 0.00 N ATOM 276 CA ALA A 22 -4.300 -1.248 -8.348 1.00 0.00 C ATOM 277 C ALA A 22 -5.428 -0.627 -7.530 1.00 0.00 C ATOM 278 O ALA A 22 -6.253 -1.337 -6.954 1.00 0.00 O ATOM 279 CB ALA A 22 -4.868 -2.118 -9.459 1.00 0.00 C ATOM 0 H ALA A 22 -3.404 -3.028 -7.700 1.00 0.00 H new ATOM 0 HA ALA A 22 -3.722 -0.439 -8.795 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -5.533 -1.522 -10.084 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -4.053 -2.509 -10.067 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -5.426 -2.947 -9.023 1.00 0.00 H new ATOM 285 N ILE A 23 -5.457 0.700 -7.485 1.00 0.00 N ATOM 286 CA ILE A 23 -6.484 1.416 -6.739 1.00 0.00 C ATOM 287 C ILE A 23 -6.857 2.723 -7.430 1.00 0.00 C ATOM 288 O ILE A 23 -6.077 3.296 -8.192 1.00 0.00 O ATOM 289 CB ILE A 23 -6.025 1.723 -5.301 1.00 0.00 C ATOM 290 CG1 ILE A 23 -4.578 2.222 -5.301 1.00 0.00 C ATOM 291 CG2 ILE A 23 -6.164 0.487 -4.425 1.00 0.00 C ATOM 292 CD1 ILE A 23 -4.109 2.714 -3.949 1.00 0.00 C ATOM 0 H ILE A 23 -4.781 1.301 -7.956 1.00 0.00 H new ATOM 0 HA ILE A 23 -7.357 0.765 -6.703 1.00 0.00 H new ATOM 0 HB ILE A 23 -6.661 2.508 -4.892 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -3.924 1.415 -5.632 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -4.481 3.030 -6.027 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -5.836 0.720 -3.412 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -7.207 0.171 -4.405 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -5.549 -0.317 -4.830 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -3.075 3.052 -4.023 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -4.739 3.542 -3.624 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -4.174 1.903 -3.224 1.00 0.00 H new ATOM 304 N PRO A 24 -8.078 3.208 -7.161 1.00 0.00 N ATOM 305 CA PRO A 24 -8.582 4.454 -7.746 1.00 0.00 C ATOM 306 C PRO A 24 -7.865 5.683 -7.198 1.00 0.00 C ATOM 307 O PRO A 24 -7.583 5.768 -6.002 1.00 0.00 O ATOM 308 CB PRO A 24 -10.056 4.468 -7.335 1.00 0.00 C ATOM 309 CG PRO A 24 -10.114 3.639 -6.099 1.00 0.00 C ATOM 310 CD PRO A 24 -9.061 2.578 -6.263 1.00 0.00 C ATOM 0 HA PRO A 24 -8.425 4.491 -8.824 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -10.405 5.483 -7.147 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -10.689 4.054 -8.119 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -9.923 4.245 -5.213 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -11.101 3.193 -5.974 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -8.614 2.304 -5.307 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -9.473 1.666 -6.695 1.00 0.00 H new ATOM 318 N LYS A 25 -7.574 6.635 -8.078 1.00 0.00 N ATOM 319 CA LYS A 25 -6.891 7.861 -7.683 1.00 0.00 C ATOM 320 C LYS A 25 -7.587 8.510 -6.490 1.00 0.00 C ATOM 321 O LYS A 25 -7.008 9.354 -5.806 1.00 0.00 O ATOM 322 CB LYS A 25 -6.842 8.843 -8.855 1.00 0.00 C ATOM 323 CG LYS A 25 -6.156 8.282 -10.089 1.00 0.00 C ATOM 324 CD LYS A 25 -4.702 7.938 -9.812 1.00 0.00 C ATOM 325 CE LYS A 25 -3.897 9.176 -9.444 1.00 0.00 C ATOM 326 NZ LYS A 25 -3.879 9.409 -7.973 1.00 0.00 N ATOM 0 H LYS A 25 -7.801 6.581 -9.071 1.00 0.00 H new ATOM 0 HA LYS A 25 -5.873 7.603 -7.392 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -7.859 9.135 -9.116 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -6.321 9.747 -8.539 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -6.684 7.390 -10.426 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -6.211 9.009 -10.899 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -4.647 7.212 -9.001 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -4.264 7.466 -10.692 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -2.875 9.066 -9.807 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -4.321 10.047 -9.944 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -3.349 10.280 -7.766 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -4.854 9.506 -7.625 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -3.421 8.604 -7.500 1.00 0.00 H new ATOM 340 N GLU A 26 -8.832 8.112 -6.249 1.00 0.00 N ATOM 341 CA GLU A 26 -9.606 8.657 -5.139 1.00 0.00 C ATOM 342 C GLU A 26 -9.121 8.090 -3.808 1.00 0.00 C ATOM 343 O GLU A 26 -9.148 8.772 -2.783 1.00 0.00 O ATOM 344 CB GLU A 26 -11.093 8.349 -5.325 1.00 0.00 C ATOM 345 CG GLU A 26 -11.493 6.964 -4.844 1.00 0.00 C ATOM 346 CD GLU A 26 -12.678 6.403 -5.605 1.00 0.00 C ATOM 347 OE1 GLU A 26 -13.725 7.082 -5.658 1.00 0.00 O ATOM 348 OE2 GLU A 26 -12.558 5.284 -6.147 1.00 0.00 O ATOM 0 H GLU A 26 -9.326 7.415 -6.806 1.00 0.00 H new ATOM 0 HA GLU A 26 -9.465 9.738 -5.127 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -11.680 9.094 -4.788 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -11.346 8.445 -6.381 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -10.645 6.288 -4.950 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -11.735 7.008 -3.782 1.00 0.00 H new ATOM 355 N HIS A 27 -8.677 6.837 -3.831 1.00 0.00 N ATOM 356 CA HIS A 27 -8.186 6.178 -2.627 1.00 0.00 C ATOM 357 C HIS A 27 -6.711 6.497 -2.396 1.00 0.00 C ATOM 358 O HIS A 27 -6.168 6.225 -1.325 1.00 0.00 O ATOM 359 CB HIS A 27 -8.381 4.665 -2.733 1.00 0.00 C ATOM 360 CG HIS A 27 -9.818 4.252 -2.822 1.00 0.00 C ATOM 361 ND1 HIS A 27 -10.217 3.002 -3.246 1.00 0.00 N ATOM 362 CD2 HIS A 27 -10.954 4.930 -2.536 1.00 0.00 C ATOM 363 CE1 HIS A 27 -11.536 2.930 -3.220 1.00 0.00 C ATOM 364 NE2 HIS A 27 -12.007 4.087 -2.791 1.00 0.00 N ATOM 0 H HIS A 27 -8.647 6.258 -4.670 1.00 0.00 H new ATOM 0 HA HIS A 27 -8.758 6.553 -1.778 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -7.851 4.299 -3.612 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -7.927 4.187 -1.865 1.00 0.00 H new ATOM 0 HD1 HIS A 27 -9.591 2.250 -3.535 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -11.020 5.946 -2.174 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -12.128 2.072 -3.501 1.00 0.00 H new ATOM 372 N HIS A 28 -6.070 7.074 -3.407 1.00 0.00 N ATOM 373 CA HIS A 28 -4.659 7.430 -3.314 1.00 0.00 C ATOM 374 C HIS A 28 -4.433 8.475 -2.226 1.00 0.00 C ATOM 375 O HIS A 28 -3.475 8.388 -1.458 1.00 0.00 O ATOM 376 CB HIS A 28 -4.155 7.958 -4.657 1.00 0.00 C ATOM 377 CG HIS A 28 -3.748 6.878 -5.611 1.00 0.00 C ATOM 378 ND1 HIS A 28 -2.642 6.975 -6.430 1.00 0.00 N ATOM 379 CD2 HIS A 28 -4.304 5.673 -5.874 1.00 0.00 C ATOM 380 CE1 HIS A 28 -2.538 5.876 -7.155 1.00 0.00 C ATOM 381 NE2 HIS A 28 -3.534 5.069 -6.837 1.00 0.00 N ATOM 0 H HIS A 28 -6.505 7.305 -4.300 1.00 0.00 H new ATOM 0 HA HIS A 28 -4.100 6.532 -3.052 1.00 0.00 H new ATOM 0 HB2 HIS A 28 -4.937 8.562 -5.117 1.00 0.00 H new ATOM 0 HB3 HIS A 28 -3.304 8.617 -4.483 1.00 0.00 H new ATOM 0 HD2 HIS A 28 -5.190 5.262 -5.412 1.00 0.00 H new ATOM 0 HE1 HIS A 28 -1.768 5.672 -7.885 1.00 0.00 H new ATOM 0 HE2 HIS A 28 -3.703 4.148 -7.241 1.00 0.00 H new ATOM 389 N ARG A 29 -5.321 9.463 -2.166 1.00 0.00 N ATOM 390 CA ARG A 29 -5.217 10.524 -1.173 1.00 0.00 C ATOM 391 C ARG A 29 -5.432 9.976 0.235 1.00 0.00 C ATOM 392 O ARG A 29 -5.046 10.602 1.222 1.00 0.00 O ATOM 393 CB ARG A 29 -6.239 11.626 -1.464 1.00 0.00 C ATOM 394 CG ARG A 29 -7.681 11.157 -1.371 1.00 0.00 C ATOM 395 CD ARG A 29 -8.620 12.308 -1.043 1.00 0.00 C ATOM 396 NE ARG A 29 -9.112 12.973 -2.248 1.00 0.00 N ATOM 397 CZ ARG A 29 -9.627 14.197 -2.253 1.00 0.00 C ATOM 398 NH1 ARG A 29 -9.716 14.887 -1.125 1.00 0.00 N ATOM 399 NH2 ARG A 29 -10.054 14.733 -3.389 1.00 0.00 N ATOM 0 H ARG A 29 -6.120 9.550 -2.794 1.00 0.00 H new ATOM 0 HA ARG A 29 -4.213 10.943 -1.231 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -6.086 12.446 -0.762 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -6.058 12.023 -2.463 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -7.978 10.701 -2.315 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -7.766 10.387 -0.604 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -9.465 11.933 -0.465 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -8.101 13.032 -0.416 1.00 0.00 H new ATOM 0 HE ARG A 29 -9.057 12.469 -3.133 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -9.388 14.478 -0.250 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -10.112 15.827 -1.132 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -9.987 14.205 -4.259 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -10.450 15.673 -3.392 1.00 0.00 H new ATOM 413 N PHE A 30 -6.051 8.803 0.319 1.00 0.00 N ATOM 414 CA PHE A 30 -6.319 8.171 1.605 1.00 0.00 C ATOM 415 C PHE A 30 -5.073 7.467 2.135 1.00 0.00 C ATOM 416 O PHE A 30 -4.906 7.301 3.344 1.00 0.00 O ATOM 417 CB PHE A 30 -7.468 7.169 1.476 1.00 0.00 C ATOM 418 CG PHE A 30 -8.827 7.796 1.611 1.00 0.00 C ATOM 419 CD1 PHE A 30 -9.390 7.998 2.860 1.00 0.00 C ATOM 420 CD2 PHE A 30 -9.541 8.182 0.487 1.00 0.00 C ATOM 421 CE1 PHE A 30 -10.640 8.574 2.988 1.00 0.00 C ATOM 422 CE2 PHE A 30 -10.790 8.759 0.609 1.00 0.00 C ATOM 423 CZ PHE A 30 -11.342 8.954 1.860 1.00 0.00 C ATOM 0 H PHE A 30 -6.376 8.271 -0.488 1.00 0.00 H new ATOM 0 HA PHE A 30 -6.604 8.950 2.312 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -7.400 6.673 0.508 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -7.355 6.398 2.238 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -8.846 7.702 3.745 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -9.116 8.030 -0.494 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -11.067 8.727 3.968 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -11.335 9.058 -0.274 1.00 0.00 H new ATOM 0 HZ PHE A 30 -12.320 9.402 1.956 1.00 0.00 H new ATOM 433 N VAL A 31 -4.201 7.052 1.221 1.00 0.00 N ATOM 434 CA VAL A 31 -2.970 6.366 1.595 1.00 0.00 C ATOM 435 C VAL A 31 -1.885 7.360 1.991 1.00 0.00 C ATOM 436 O VAL A 31 -1.053 7.077 2.852 1.00 0.00 O ATOM 437 CB VAL A 31 -2.448 5.484 0.445 1.00 0.00 C ATOM 438 CG1 VAL A 31 -1.115 4.853 0.818 1.00 0.00 C ATOM 439 CG2 VAL A 31 -3.471 4.417 0.086 1.00 0.00 C ATOM 0 H VAL A 31 -4.325 7.179 0.217 1.00 0.00 H new ATOM 0 HA VAL A 31 -3.208 5.733 2.450 1.00 0.00 H new ATOM 0 HB VAL A 31 -2.291 6.114 -0.431 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -0.762 4.234 -0.007 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -0.385 5.637 1.021 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -1.241 4.236 1.707 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -3.086 3.803 -0.728 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -3.662 3.788 0.956 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -4.400 4.894 -0.227 1.00 0.00 H new ATOM 449 N ILE A 32 -1.899 8.528 1.356 1.00 0.00 N ATOM 450 CA ILE A 32 -0.917 9.566 1.644 1.00 0.00 C ATOM 451 C ILE A 32 -1.180 10.210 3.001 1.00 0.00 C ATOM 452 O ILE A 32 -0.257 10.430 3.784 1.00 0.00 O ATOM 453 CB ILE A 32 -0.922 10.660 0.559 1.00 0.00 C ATOM 454 CG1 ILE A 32 -0.565 10.060 -0.803 1.00 0.00 C ATOM 455 CG2 ILE A 32 0.052 11.771 0.924 1.00 0.00 C ATOM 456 CD1 ILE A 32 -0.880 10.974 -1.966 1.00 0.00 C ATOM 0 H ILE A 32 -2.580 8.779 0.639 1.00 0.00 H new ATOM 0 HA ILE A 32 0.060 9.083 1.658 1.00 0.00 H new ATOM 0 HB ILE A 32 -1.924 11.085 0.497 1.00 0.00 H new ATOM 0 HG12 ILE A 32 0.498 9.819 -0.818 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -1.106 9.122 -0.931 1.00 0.00 H new ATOM 0 HG21 ILE A 32 0.038 12.537 0.148 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -0.241 12.213 1.876 1.00 0.00 H new ATOM 0 HG23 ILE A 32 1.058 11.360 1.009 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -0.601 10.485 -2.899 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -1.947 11.195 -1.977 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -0.319 11.902 -1.862 1.00 0.00 H new ATOM 468 N GLY A 33 -2.446 10.509 3.273 1.00 0.00 N ATOM 469 CA GLY A 33 -2.808 11.124 4.537 1.00 0.00 C ATOM 470 C GLY A 33 -3.535 12.441 4.354 1.00 0.00 C ATOM 471 O GLY A 33 -3.493 13.038 3.278 1.00 0.00 O ATOM 0 H GLY A 33 -3.228 10.337 2.641 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -3.440 10.439 5.103 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -1.907 11.289 5.128 1.00 0.00 H new ATOM 475 N LYS A 34 -4.204 12.897 5.408 1.00 0.00 N ATOM 476 CA LYS A 34 -4.944 14.152 5.360 1.00 0.00 C ATOM 477 C LYS A 34 -4.201 15.191 4.525 1.00 0.00 C ATOM 478 O LYS A 34 -4.708 15.660 3.508 1.00 0.00 O ATOM 479 CB LYS A 34 -5.172 14.687 6.775 1.00 0.00 C ATOM 480 CG LYS A 34 -6.419 15.544 6.909 1.00 0.00 C ATOM 481 CD LYS A 34 -6.507 16.193 8.279 1.00 0.00 C ATOM 482 CE LYS A 34 -7.320 17.478 8.237 1.00 0.00 C ATOM 483 NZ LYS A 34 -7.005 18.372 9.385 1.00 0.00 N ATOM 0 H LYS A 34 -4.249 12.416 6.306 1.00 0.00 H new ATOM 0 HA LYS A 34 -5.909 13.958 4.891 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -5.244 13.846 7.465 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -4.304 15.274 7.077 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -6.415 16.316 6.140 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -7.303 14.930 6.739 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -6.961 15.497 8.984 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -5.503 16.408 8.646 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -7.121 18.003 7.303 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -8.383 17.236 8.246 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -7.580 19.236 9.320 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -7.219 17.881 10.276 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -5.996 18.624 9.362 1.00 0.00 H new ATOM 497 N ASN A 35 -2.996 15.543 4.963 1.00 0.00 N ATOM 498 CA ASN A 35 -2.184 16.525 4.255 1.00 0.00 C ATOM 499 C ASN A 35 -0.951 15.869 3.640 1.00 0.00 C ATOM 500 O ASN A 35 -0.499 16.260 2.564 1.00 0.00 O ATOM 501 CB ASN A 35 -1.757 17.646 5.205 1.00 0.00 C ATOM 502 CG ASN A 35 -2.936 18.452 5.714 1.00 0.00 C ATOM 503 OD1 ASN A 35 -3.375 19.406 5.070 1.00 0.00 O ATOM 504 ND2 ASN A 35 -3.456 18.072 6.875 1.00 0.00 N ATOM 0 H ASN A 35 -2.561 15.163 5.804 1.00 0.00 H new ATOM 0 HA ASN A 35 -2.788 16.948 3.453 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -1.221 17.217 6.052 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -1.062 18.309 4.691 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -4.251 18.576 7.267 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -3.060 17.276 7.375 1.00 0.00 H new ATOM 511 N GLY A 36 -0.414 14.867 4.330 1.00 0.00 N ATOM 512 CA GLY A 36 0.760 14.172 3.835 1.00 0.00 C ATOM 513 C GLY A 36 1.626 13.628 4.954 1.00 0.00 C ATOM 514 O GLY A 36 2.810 13.954 5.046 1.00 0.00 O ATOM 0 H GLY A 36 -0.771 14.525 5.222 1.00 0.00 H new ATOM 0 HA2 GLY A 36 0.447 13.351 3.190 1.00 0.00 H new ATOM 0 HA3 GLY A 36 1.350 14.853 3.221 1.00 0.00 H new ATOM 518 N GLU A 37 1.034 12.798 5.808 1.00 0.00 N ATOM 519 CA GLU A 37 1.760 12.211 6.927 1.00 0.00 C ATOM 520 C GLU A 37 1.546 10.700 6.982 1.00 0.00 C ATOM 521 O GLU A 37 2.489 9.935 7.183 1.00 0.00 O ATOM 522 CB GLU A 37 1.314 12.848 8.245 1.00 0.00 C ATOM 523 CG GLU A 37 1.033 14.337 8.136 1.00 0.00 C ATOM 524 CD GLU A 37 1.271 15.072 9.440 1.00 0.00 C ATOM 525 OE1 GLU A 37 0.354 15.086 10.288 1.00 0.00 O ATOM 526 OE2 GLU A 37 2.372 15.634 9.613 1.00 0.00 O ATOM 0 H GLU A 37 0.055 12.518 5.746 1.00 0.00 H new ATOM 0 HA GLU A 37 2.822 12.406 6.779 1.00 0.00 H new ATOM 0 HB2 GLU A 37 0.415 12.342 8.598 1.00 0.00 H new ATOM 0 HB3 GLU A 37 2.087 12.687 8.997 1.00 0.00 H new ATOM 0 HG2 GLU A 37 1.667 14.767 7.360 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -0.000 14.486 7.823 1.00 0.00 H new ATOM 533 N LYS A 38 0.298 10.279 6.802 1.00 0.00 N ATOM 534 CA LYS A 38 -0.042 8.862 6.830 1.00 0.00 C ATOM 535 C LYS A 38 1.025 8.032 6.123 1.00 0.00 C ATOM 536 O LYS A 38 1.613 7.125 6.714 1.00 0.00 O ATOM 537 CB LYS A 38 -1.403 8.630 6.169 1.00 0.00 C ATOM 538 CG LYS A 38 -1.749 7.162 5.989 1.00 0.00 C ATOM 539 CD LYS A 38 -2.123 6.510 7.309 1.00 0.00 C ATOM 540 CE LYS A 38 -2.663 5.103 7.103 1.00 0.00 C ATOM 541 NZ LYS A 38 -2.441 4.244 8.298 1.00 0.00 N ATOM 0 H LYS A 38 -0.494 10.900 6.635 1.00 0.00 H new ATOM 0 HA LYS A 38 -0.092 8.547 7.872 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -2.176 9.106 6.772 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -1.413 9.119 5.195 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -2.578 7.066 5.287 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -0.899 6.638 5.552 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -1.248 6.474 7.959 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -2.872 7.118 7.817 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -3.730 5.152 6.884 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -2.180 4.652 6.236 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -2.823 3.294 8.118 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -1.422 4.177 8.492 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -2.923 4.661 9.120 1.00 0.00 H new ATOM 555 N LEU A 39 1.271 8.347 4.856 1.00 0.00 N ATOM 556 CA LEU A 39 2.270 7.632 4.069 1.00 0.00 C ATOM 557 C LEU A 39 3.618 7.617 4.783 1.00 0.00 C ATOM 558 O LEU A 39 4.283 6.585 4.848 1.00 0.00 O ATOM 559 CB LEU A 39 2.417 8.275 2.689 1.00 0.00 C ATOM 560 CG LEU A 39 3.770 8.091 2.004 1.00 0.00 C ATOM 561 CD1 LEU A 39 3.926 6.663 1.506 1.00 0.00 C ATOM 562 CD2 LEU A 39 3.927 9.078 0.857 1.00 0.00 C ATOM 0 H LEU A 39 0.792 9.093 4.351 1.00 0.00 H new ATOM 0 HA LEU A 39 1.933 6.602 3.949 1.00 0.00 H new ATOM 0 HB2 LEU A 39 1.644 7.869 2.037 1.00 0.00 H new ATOM 0 HB3 LEU A 39 2.224 9.343 2.786 1.00 0.00 H new ATOM 0 HG LEU A 39 4.555 8.287 2.735 1.00 0.00 H new ATOM 0 HD11 LEU A 39 4.896 6.551 1.021 1.00 0.00 H new ATOM 0 HD12 LEU A 39 3.860 5.975 2.348 1.00 0.00 H new ATOM 0 HD13 LEU A 39 3.134 6.438 0.791 1.00 0.00 H new ATOM 0 HD21 LEU A 39 4.897 8.932 0.381 1.00 0.00 H new ATOM 0 HD22 LEU A 39 3.136 8.915 0.125 1.00 0.00 H new ATOM 0 HD23 LEU A 39 3.861 10.096 1.241 1.00 0.00 H new ATOM 574 N GLN A 40 4.010 8.769 5.318 1.00 0.00 N ATOM 575 CA GLN A 40 5.278 8.886 6.029 1.00 0.00 C ATOM 576 C GLN A 40 5.427 7.778 7.065 1.00 0.00 C ATOM 577 O GLN A 40 6.387 7.009 7.032 1.00 0.00 O ATOM 578 CB GLN A 40 5.381 10.253 6.707 1.00 0.00 C ATOM 579 CG GLN A 40 5.106 11.419 5.772 1.00 0.00 C ATOM 580 CD GLN A 40 6.064 11.465 4.599 1.00 0.00 C ATOM 581 OE1 GLN A 40 5.655 11.672 3.455 1.00 0.00 O ATOM 582 NE2 GLN A 40 7.349 11.272 4.875 1.00 0.00 N ATOM 0 H GLN A 40 3.469 9.633 5.273 1.00 0.00 H new ATOM 0 HA GLN A 40 6.084 8.787 5.302 1.00 0.00 H new ATOM 0 HB2 GLN A 40 4.677 10.291 7.538 1.00 0.00 H new ATOM 0 HB3 GLN A 40 6.379 10.365 7.130 1.00 0.00 H new ATOM 0 HG2 GLN A 40 4.084 11.347 5.399 1.00 0.00 H new ATOM 0 HG3 GLN A 40 5.177 12.352 6.331 1.00 0.00 H new ATOM 0 HE21 GLN A 40 7.644 11.104 5.837 1.00 0.00 H new ATOM 0 HE22 GLN A 40 8.040 11.292 4.125 1.00 0.00 H new ATOM 591 N ASP A 41 4.471 7.703 7.984 1.00 0.00 N ATOM 592 CA ASP A 41 4.494 6.688 9.031 1.00 0.00 C ATOM 593 C ASP A 41 4.570 5.289 8.429 1.00 0.00 C ATOM 594 O ASP A 41 5.348 4.447 8.881 1.00 0.00 O ATOM 595 CB ASP A 41 3.254 6.810 9.917 1.00 0.00 C ATOM 596 CG ASP A 41 3.442 6.148 11.269 1.00 0.00 C ATOM 597 OD1 ASP A 41 4.556 6.238 11.825 1.00 0.00 O ATOM 598 OD2 ASP A 41 2.472 5.541 11.771 1.00 0.00 O ATOM 0 H ASP A 41 3.670 8.333 8.025 1.00 0.00 H new ATOM 0 HA ASP A 41 5.383 6.850 9.641 1.00 0.00 H new ATOM 0 HB2 ASP A 41 3.016 7.864 10.061 1.00 0.00 H new ATOM 0 HB3 ASP A 41 2.402 6.358 9.409 1.00 0.00 H new ATOM 603 N LEU A 42 3.756 5.045 7.408 1.00 0.00 N ATOM 604 CA LEU A 42 3.729 3.746 6.744 1.00 0.00 C ATOM 605 C LEU A 42 5.117 3.360 6.246 1.00 0.00 C ATOM 606 O LEU A 42 5.669 2.337 6.648 1.00 0.00 O ATOM 607 CB LEU A 42 2.742 3.770 5.574 1.00 0.00 C ATOM 608 CG LEU A 42 1.301 3.385 5.904 1.00 0.00 C ATOM 609 CD1 LEU A 42 0.389 3.666 4.720 1.00 0.00 C ATOM 610 CD2 LEU A 42 1.218 1.920 6.307 1.00 0.00 C ATOM 0 H LEU A 42 3.106 5.729 7.022 1.00 0.00 H new ATOM 0 HA LEU A 42 3.404 3.001 7.470 1.00 0.00 H new ATOM 0 HB2 LEU A 42 2.740 4.773 5.147 1.00 0.00 H new ATOM 0 HB3 LEU A 42 3.109 3.095 4.801 1.00 0.00 H new ATOM 0 HG LEU A 42 0.968 3.992 6.746 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -0.633 3.386 4.974 1.00 0.00 H new ATOM 0 HD12 LEU A 42 0.424 4.728 4.478 1.00 0.00 H new ATOM 0 HD13 LEU A 42 0.721 3.086 3.859 1.00 0.00 H new ATOM 0 HD21 LEU A 42 0.184 1.664 6.538 1.00 0.00 H new ATOM 0 HD22 LEU A 42 1.571 1.296 5.486 1.00 0.00 H new ATOM 0 HD23 LEU A 42 1.839 1.749 7.186 1.00 0.00 H new ATOM 622 N GLU A 43 5.678 4.189 5.369 1.00 0.00 N ATOM 623 CA GLU A 43 7.003 3.933 4.818 1.00 0.00 C ATOM 624 C GLU A 43 7.959 3.443 5.902 1.00 0.00 C ATOM 625 O GLU A 43 8.777 2.553 5.667 1.00 0.00 O ATOM 626 CB GLU A 43 7.562 5.201 4.167 1.00 0.00 C ATOM 627 CG GLU A 43 7.169 5.360 2.707 1.00 0.00 C ATOM 628 CD GLU A 43 7.749 6.612 2.080 1.00 0.00 C ATOM 629 OE1 GLU A 43 8.855 7.023 2.491 1.00 0.00 O ATOM 630 OE2 GLU A 43 7.098 7.181 1.180 1.00 0.00 O ATOM 0 H GLU A 43 5.235 5.042 5.026 1.00 0.00 H new ATOM 0 HA GLU A 43 6.909 3.154 4.061 1.00 0.00 H new ATOM 0 HB2 GLU A 43 7.213 6.070 4.725 1.00 0.00 H new ATOM 0 HB3 GLU A 43 8.649 5.189 4.243 1.00 0.00 H new ATOM 0 HG2 GLU A 43 7.506 4.488 2.147 1.00 0.00 H new ATOM 0 HG3 GLU A 43 6.082 5.389 2.628 1.00 0.00 H new ATOM 637 N LEU A 44 7.848 4.028 7.089 1.00 0.00 N ATOM 638 CA LEU A 44 8.701 3.652 8.211 1.00 0.00 C ATOM 639 C LEU A 44 8.242 2.334 8.826 1.00 0.00 C ATOM 640 O LEU A 44 8.943 1.325 8.755 1.00 0.00 O ATOM 641 CB LEU A 44 8.697 4.752 9.272 1.00 0.00 C ATOM 642 CG LEU A 44 9.581 5.966 8.983 1.00 0.00 C ATOM 643 CD1 LEU A 44 9.125 7.165 9.803 1.00 0.00 C ATOM 644 CD2 LEU A 44 11.039 5.645 9.272 1.00 0.00 C ATOM 0 H LEU A 44 7.175 4.765 7.300 1.00 0.00 H new ATOM 0 HA LEU A 44 9.716 3.522 7.836 1.00 0.00 H new ATOM 0 HB2 LEU A 44 7.672 5.097 9.405 1.00 0.00 H new ATOM 0 HB3 LEU A 44 9.012 4.316 10.220 1.00 0.00 H new ATOM 0 HG LEU A 44 9.487 6.216 7.926 1.00 0.00 H new ATOM 0 HD11 LEU A 44 9.765 8.020 9.585 1.00 0.00 H new ATOM 0 HD12 LEU A 44 8.094 7.409 9.548 1.00 0.00 H new ATOM 0 HD13 LEU A 44 9.189 6.925 10.864 1.00 0.00 H new ATOM 0 HD21 LEU A 44 11.653 6.520 9.061 1.00 0.00 H new ATOM 0 HD22 LEU A 44 11.150 5.369 10.321 1.00 0.00 H new ATOM 0 HD23 LEU A 44 11.361 4.816 8.642 1.00 0.00 H new ATOM 656 N LYS A 45 7.057 2.350 9.429 1.00 0.00 N ATOM 657 CA LYS A 45 6.501 1.156 10.055 1.00 0.00 C ATOM 658 C LYS A 45 6.771 -0.080 9.204 1.00 0.00 C ATOM 659 O LYS A 45 7.021 -1.167 9.729 1.00 0.00 O ATOM 660 CB LYS A 45 4.994 1.323 10.268 1.00 0.00 C ATOM 661 CG LYS A 45 4.416 0.363 11.293 1.00 0.00 C ATOM 662 CD LYS A 45 3.068 0.841 11.807 1.00 0.00 C ATOM 663 CE LYS A 45 1.934 0.396 10.896 1.00 0.00 C ATOM 664 NZ LYS A 45 1.653 -1.060 11.029 1.00 0.00 N ATOM 0 H LYS A 45 6.464 3.177 9.497 1.00 0.00 H new ATOM 0 HA LYS A 45 6.986 1.022 11.022 1.00 0.00 H new ATOM 0 HB2 LYS A 45 4.791 2.346 10.585 1.00 0.00 H new ATOM 0 HB3 LYS A 45 4.482 1.177 9.317 1.00 0.00 H new ATOM 0 HG2 LYS A 45 4.306 -0.625 10.846 1.00 0.00 H new ATOM 0 HG3 LYS A 45 5.109 0.260 12.128 1.00 0.00 H new ATOM 0 HD2 LYS A 45 2.902 0.453 12.812 1.00 0.00 H new ATOM 0 HD3 LYS A 45 3.071 1.928 11.882 1.00 0.00 H new ATOM 0 HE2 LYS A 45 1.034 0.963 11.134 1.00 0.00 H new ATOM 0 HE3 LYS A 45 2.189 0.623 9.861 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 0.731 -1.276 10.599 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 2.397 -1.603 10.545 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 1.635 -1.319 12.036 1.00 0.00 H new ATOM 678 N THR A 46 6.720 0.091 7.886 1.00 0.00 N ATOM 679 CA THR A 46 6.959 -1.011 6.962 1.00 0.00 C ATOM 680 C THR A 46 8.371 -0.953 6.391 1.00 0.00 C ATOM 681 O THR A 46 8.874 -1.937 5.851 1.00 0.00 O ATOM 682 CB THR A 46 5.946 -1.001 5.801 1.00 0.00 C ATOM 683 OG1 THR A 46 6.251 0.065 4.896 1.00 0.00 O ATOM 684 CG2 THR A 46 4.527 -0.840 6.323 1.00 0.00 C ATOM 0 H THR A 46 6.515 0.983 7.435 1.00 0.00 H new ATOM 0 HA THR A 46 6.838 -1.933 7.531 1.00 0.00 H new ATOM 0 HB THR A 46 6.017 -1.954 5.277 1.00 0.00 H new ATOM 0 HG1 THR A 46 6.102 0.925 5.341 1.00 0.00 H new ATOM 0 HG21 THR A 46 3.829 -0.836 5.485 1.00 0.00 H new ATOM 0 HG22 THR A 46 4.288 -1.669 6.990 1.00 0.00 H new ATOM 0 HG23 THR A 46 4.445 0.100 6.869 1.00 0.00 H new ATOM 692 N ALA A 47 9.007 0.209 6.514 1.00 0.00 N ATOM 693 CA ALA A 47 10.362 0.394 6.012 1.00 0.00 C ATOM 694 C ALA A 47 10.442 0.091 4.520 1.00 0.00 C ATOM 695 O ALA A 47 11.449 -0.422 4.031 1.00 0.00 O ATOM 696 CB ALA A 47 11.336 -0.486 6.783 1.00 0.00 C ATOM 0 H ALA A 47 8.605 1.035 6.957 1.00 0.00 H new ATOM 0 HA ALA A 47 10.637 1.438 6.159 1.00 0.00 H new ATOM 0 HB1 ALA A 47 12.344 -0.337 6.397 1.00 0.00 H new ATOM 0 HB2 ALA A 47 11.309 -0.220 7.840 1.00 0.00 H new ATOM 0 HB3 ALA A 47 11.053 -1.532 6.665 1.00 0.00 H new ATOM 702 N THR A 48 9.372 0.412 3.798 1.00 0.00 N ATOM 703 CA THR A 48 9.319 0.172 2.362 1.00 0.00 C ATOM 704 C THR A 48 9.372 1.483 1.583 1.00 0.00 C ATOM 705 O THR A 48 9.332 2.566 2.168 1.00 0.00 O ATOM 706 CB THR A 48 8.044 -0.595 1.966 1.00 0.00 C ATOM 707 OG1 THR A 48 6.885 0.124 2.401 1.00 0.00 O ATOM 708 CG2 THR A 48 8.040 -1.989 2.575 1.00 0.00 C ATOM 0 H THR A 48 8.531 0.839 4.185 1.00 0.00 H new ATOM 0 HA THR A 48 10.190 -0.433 2.111 1.00 0.00 H new ATOM 0 HB THR A 48 8.026 -0.690 0.880 1.00 0.00 H new ATOM 0 HG1 THR A 48 6.547 -0.272 3.231 1.00 0.00 H new ATOM 0 HG21 THR A 48 7.130 -2.512 2.281 1.00 0.00 H new ATOM 0 HG22 THR A 48 8.908 -2.544 2.219 1.00 0.00 H new ATOM 0 HG23 THR A 48 8.079 -1.911 3.662 1.00 0.00 H new ATOM 716 N LYS A 49 9.461 1.377 0.262 1.00 0.00 N ATOM 717 CA LYS A 49 9.517 2.554 -0.597 1.00 0.00 C ATOM 718 C LYS A 49 8.221 2.713 -1.387 1.00 0.00 C ATOM 719 O LYS A 49 8.116 2.251 -2.524 1.00 0.00 O ATOM 720 CB LYS A 49 10.704 2.453 -1.558 1.00 0.00 C ATOM 721 CG LYS A 49 10.895 3.689 -2.420 1.00 0.00 C ATOM 722 CD LYS A 49 11.656 4.775 -1.677 1.00 0.00 C ATOM 723 CE LYS A 49 13.160 4.594 -1.815 1.00 0.00 C ATOM 724 NZ LYS A 49 13.899 5.854 -1.525 1.00 0.00 N ATOM 0 H LYS A 49 9.496 0.488 -0.237 1.00 0.00 H new ATOM 0 HA LYS A 49 9.645 3.431 0.038 1.00 0.00 H new ATOM 0 HB2 LYS A 49 11.613 2.278 -0.982 1.00 0.00 H new ATOM 0 HB3 LYS A 49 10.564 1.587 -2.205 1.00 0.00 H new ATOM 0 HG2 LYS A 49 11.436 3.421 -3.328 1.00 0.00 H new ATOM 0 HG3 LYS A 49 9.922 4.072 -2.730 1.00 0.00 H new ATOM 0 HD2 LYS A 49 11.369 5.752 -2.065 1.00 0.00 H new ATOM 0 HD3 LYS A 49 11.381 4.757 -0.622 1.00 0.00 H new ATOM 0 HE2 LYS A 49 13.496 3.811 -1.135 1.00 0.00 H new ATOM 0 HE3 LYS A 49 13.394 4.260 -2.826 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 14.921 5.689 -1.630 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 13.598 6.594 -2.190 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 13.696 6.160 -0.552 1.00 0.00 H new ATOM 738 N ILE A 50 7.239 3.370 -0.779 1.00 0.00 N ATOM 739 CA ILE A 50 5.953 3.591 -1.427 1.00 0.00 C ATOM 740 C ILE A 50 6.033 4.737 -2.431 1.00 0.00 C ATOM 741 O ILE A 50 6.359 5.867 -2.070 1.00 0.00 O ATOM 742 CB ILE A 50 4.849 3.900 -0.398 1.00 0.00 C ATOM 743 CG1 ILE A 50 4.683 2.729 0.571 1.00 0.00 C ATOM 744 CG2 ILE A 50 3.536 4.200 -1.104 1.00 0.00 C ATOM 745 CD1 ILE A 50 3.880 3.075 1.805 1.00 0.00 C ATOM 0 H ILE A 50 7.310 3.758 0.161 1.00 0.00 H new ATOM 0 HA ILE A 50 5.701 2.669 -1.951 1.00 0.00 H new ATOM 0 HB ILE A 50 5.142 4.781 0.173 1.00 0.00 H new ATOM 0 HG12 ILE A 50 4.197 1.904 0.051 1.00 0.00 H new ATOM 0 HG13 ILE A 50 5.669 2.377 0.876 1.00 0.00 H new ATOM 0 HG21 ILE A 50 2.766 4.416 -0.364 1.00 0.00 H new ATOM 0 HG22 ILE A 50 3.663 5.063 -1.758 1.00 0.00 H new ATOM 0 HG23 ILE A 50 3.236 3.336 -1.697 1.00 0.00 H new ATOM 0 HD11 ILE A 50 3.803 2.197 2.447 1.00 0.00 H new ATOM 0 HD12 ILE A 50 4.376 3.879 2.348 1.00 0.00 H new ATOM 0 HD13 ILE A 50 2.881 3.398 1.511 1.00 0.00 H new ATOM 757 N GLN A 51 5.731 4.435 -3.690 1.00 0.00 N ATOM 758 CA GLN A 51 5.768 5.440 -4.744 1.00 0.00 C ATOM 759 C GLN A 51 4.405 5.575 -5.416 1.00 0.00 C ATOM 760 O GLN A 51 3.941 4.655 -6.090 1.00 0.00 O ATOM 761 CB GLN A 51 6.829 5.080 -5.786 1.00 0.00 C ATOM 762 CG GLN A 51 8.202 5.657 -5.480 1.00 0.00 C ATOM 763 CD GLN A 51 9.095 5.720 -6.704 1.00 0.00 C ATOM 764 OE1 GLN A 51 9.809 4.767 -7.015 1.00 0.00 O ATOM 765 NE2 GLN A 51 9.058 6.846 -7.407 1.00 0.00 N ATOM 0 H GLN A 51 5.458 3.504 -4.004 1.00 0.00 H new ATOM 0 HA GLN A 51 6.026 6.396 -4.289 1.00 0.00 H new ATOM 0 HB2 GLN A 51 6.907 3.995 -5.853 1.00 0.00 H new ATOM 0 HB3 GLN A 51 6.503 5.437 -6.763 1.00 0.00 H new ATOM 0 HG2 GLN A 51 8.087 6.659 -5.067 1.00 0.00 H new ATOM 0 HG3 GLN A 51 8.684 5.050 -4.714 1.00 0.00 H new ATOM 0 HE21 GLN A 51 8.451 7.611 -7.113 1.00 0.00 H new ATOM 0 HE22 GLN A 51 9.636 6.946 -8.241 1.00 0.00 H new ATOM 774 N ILE A 52 3.770 6.726 -5.229 1.00 0.00 N ATOM 775 CA ILE A 52 2.461 6.981 -5.816 1.00 0.00 C ATOM 776 C ILE A 52 2.587 7.752 -7.127 1.00 0.00 C ATOM 777 O ILE A 52 3.375 8.690 -7.251 1.00 0.00 O ATOM 778 CB ILE A 52 1.555 7.772 -4.855 1.00 0.00 C ATOM 779 CG1 ILE A 52 1.364 6.999 -3.548 1.00 0.00 C ATOM 780 CG2 ILE A 52 0.211 8.059 -5.508 1.00 0.00 C ATOM 781 CD1 ILE A 52 0.905 7.865 -2.396 1.00 0.00 C ATOM 0 H ILE A 52 4.141 7.498 -4.675 1.00 0.00 H new ATOM 0 HA ILE A 52 2.009 6.008 -6.010 1.00 0.00 H new ATOM 0 HB ILE A 52 2.036 8.723 -4.627 1.00 0.00 H new ATOM 0 HG12 ILE A 52 0.635 6.205 -3.708 1.00 0.00 H new ATOM 0 HG13 ILE A 52 2.305 6.518 -3.279 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -0.418 8.619 -4.816 1.00 0.00 H new ATOM 0 HG22 ILE A 52 0.364 8.645 -6.414 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -0.278 7.119 -5.763 1.00 0.00 H new ATOM 0 HD11 ILE A 52 0.790 7.251 -1.503 1.00 0.00 H new ATOM 0 HD12 ILE A 52 1.644 8.644 -2.209 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -0.051 8.325 -2.645 1.00 0.00 H new ATOM 793 N PRO A 53 1.791 7.349 -8.129 1.00 0.00 N ATOM 794 CA PRO A 53 1.794 7.989 -9.448 1.00 0.00 C ATOM 795 C PRO A 53 1.202 9.394 -9.411 1.00 0.00 C ATOM 796 O PRO A 53 0.351 9.697 -8.574 1.00 0.00 O ATOM 797 CB PRO A 53 0.919 7.062 -10.294 1.00 0.00 C ATOM 798 CG PRO A 53 0.023 6.386 -9.313 1.00 0.00 C ATOM 799 CD PRO A 53 0.828 6.238 -8.052 1.00 0.00 C ATOM 0 HA PRO A 53 2.804 8.116 -9.837 1.00 0.00 H new ATOM 0 HB2 PRO A 53 0.346 7.623 -11.032 1.00 0.00 H new ATOM 0 HB3 PRO A 53 1.523 6.339 -10.842 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -0.876 6.975 -9.135 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -0.301 5.414 -9.685 1.00 0.00 H new ATOM 0 HD2 PRO A 53 0.200 6.311 -7.164 1.00 0.00 H new ATOM 0 HD3 PRO A 53 1.331 5.272 -8.008 1.00 0.00 H new ATOM 807 N ARG A 54 1.656 10.247 -10.323 1.00 0.00 N ATOM 808 CA ARG A 54 1.171 11.620 -10.394 1.00 0.00 C ATOM 809 C ARG A 54 -0.329 11.653 -10.673 1.00 0.00 C ATOM 810 O ARG A 54 -0.902 10.717 -11.232 1.00 0.00 O ATOM 811 CB ARG A 54 1.920 12.392 -11.482 1.00 0.00 C ATOM 812 CG ARG A 54 3.358 12.723 -11.114 1.00 0.00 C ATOM 813 CD ARG A 54 4.311 11.619 -11.546 1.00 0.00 C ATOM 814 NE ARG A 54 5.685 12.098 -11.668 1.00 0.00 N ATOM 815 CZ ARG A 54 6.630 11.456 -12.345 1.00 0.00 C ATOM 816 NH1 ARG A 54 6.351 10.315 -12.959 1.00 0.00 N ATOM 817 NH2 ARG A 54 7.857 11.957 -12.409 1.00 0.00 N ATOM 0 H ARG A 54 2.359 10.011 -11.023 1.00 0.00 H new ATOM 0 HA ARG A 54 1.354 12.094 -9.430 1.00 0.00 H new ATOM 0 HB2 ARG A 54 1.915 11.806 -12.401 1.00 0.00 H new ATOM 0 HB3 ARG A 54 1.385 13.318 -11.692 1.00 0.00 H new ATOM 0 HG2 ARG A 54 3.649 13.662 -11.586 1.00 0.00 H new ATOM 0 HG3 ARG A 54 3.434 12.871 -10.037 1.00 0.00 H new ATOM 0 HD2 ARG A 54 4.274 10.805 -10.822 1.00 0.00 H new ATOM 0 HD3 ARG A 54 3.983 11.211 -12.502 1.00 0.00 H new ATOM 0 HE ARG A 54 5.933 12.974 -11.208 1.00 0.00 H new ATOM 0 HH11 ARG A 54 5.408 9.928 -12.912 1.00 0.00 H new ATOM 0 HH12 ARG A 54 7.079 9.824 -13.478 1.00 0.00 H new ATOM 0 HH21 ARG A 54 8.074 12.835 -11.938 1.00 0.00 H new ATOM 0 HH22 ARG A 54 8.583 11.464 -12.929 1.00 0.00 H new ATOM 831 N PRO A 55 -0.981 12.755 -10.274 1.00 0.00 N ATOM 832 CA PRO A 55 -2.422 12.937 -10.471 1.00 0.00 C ATOM 833 C PRO A 55 -2.786 13.133 -11.939 1.00 0.00 C ATOM 834 O PRO A 55 -3.962 13.120 -12.303 1.00 0.00 O ATOM 835 CB PRO A 55 -2.732 14.204 -9.669 1.00 0.00 C ATOM 836 CG PRO A 55 -1.445 14.952 -9.630 1.00 0.00 C ATOM 837 CD PRO A 55 -0.361 13.910 -9.602 1.00 0.00 C ATOM 0 HA PRO A 55 -2.991 12.064 -10.151 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -3.517 14.792 -10.145 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -3.080 13.962 -8.665 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -1.343 15.598 -10.502 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -1.393 15.593 -8.750 1.00 0.00 H new ATOM 0 HD2 PRO A 55 0.534 14.247 -10.125 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -0.062 13.669 -8.582 1.00 0.00 H new ATOM 845 N ASP A 56 -1.772 13.314 -12.777 1.00 0.00 N ATOM 846 CA ASP A 56 -1.987 13.510 -14.206 1.00 0.00 C ATOM 847 C ASP A 56 -1.666 12.237 -14.983 1.00 0.00 C ATOM 848 O ASP A 56 -2.135 12.049 -16.106 1.00 0.00 O ATOM 849 CB ASP A 56 -1.126 14.666 -14.718 1.00 0.00 C ATOM 850 CG ASP A 56 -1.201 15.885 -13.820 1.00 0.00 C ATOM 851 OD1 ASP A 56 -2.239 16.068 -13.150 1.00 0.00 O ATOM 852 OD2 ASP A 56 -0.220 16.657 -13.786 1.00 0.00 O ATOM 0 H ASP A 56 -0.793 13.329 -12.492 1.00 0.00 H new ATOM 0 HA ASP A 56 -3.038 13.753 -14.361 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -0.089 14.337 -14.794 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -1.449 14.938 -15.723 1.00 0.00 H new ATOM 857 N ASP A 57 -0.863 11.368 -14.380 1.00 0.00 N ATOM 858 CA ASP A 57 -0.478 10.114 -15.017 1.00 0.00 C ATOM 859 C ASP A 57 -1.625 9.108 -14.970 1.00 0.00 C ATOM 860 O ASP A 57 -2.354 9.006 -13.983 1.00 0.00 O ATOM 861 CB ASP A 57 0.758 9.528 -14.333 1.00 0.00 C ATOM 862 CG ASP A 57 1.619 8.722 -15.285 1.00 0.00 C ATOM 863 OD1 ASP A 57 2.434 9.332 -16.008 1.00 0.00 O ATOM 864 OD2 ASP A 57 1.477 7.482 -15.309 1.00 0.00 O ATOM 0 H ASP A 57 -0.466 11.509 -13.451 1.00 0.00 H new ATOM 0 HA ASP A 57 -0.242 10.322 -16.061 1.00 0.00 H new ATOM 0 HB2 ASP A 57 1.352 10.337 -13.907 1.00 0.00 H new ATOM 0 HB3 ASP A 57 0.444 8.893 -13.505 1.00 0.00 H new ATOM 869 N PRO A 58 -1.790 8.347 -16.062 1.00 0.00 N ATOM 870 CA PRO A 58 -2.846 7.336 -16.171 1.00 0.00 C ATOM 871 C PRO A 58 -2.602 6.141 -15.256 1.00 0.00 C ATOM 872 O PRO A 58 -3.398 5.204 -15.216 1.00 0.00 O ATOM 873 CB PRO A 58 -2.778 6.908 -17.639 1.00 0.00 C ATOM 874 CG PRO A 58 -1.377 7.198 -18.053 1.00 0.00 C ATOM 875 CD PRO A 58 -0.957 8.415 -17.276 1.00 0.00 C ATOM 0 HA PRO A 58 -3.818 7.729 -15.872 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -3.014 5.850 -17.754 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -3.493 7.462 -18.247 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -0.724 6.353 -17.837 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -1.317 7.381 -19.126 1.00 0.00 H new ATOM 0 HD2 PRO A 58 0.106 8.392 -17.036 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -1.137 9.332 -17.837 1.00 0.00 H new ATOM 883 N SER A 59 -1.494 6.181 -14.521 1.00 0.00 N ATOM 884 CA SER A 59 -1.143 5.099 -13.608 1.00 0.00 C ATOM 885 C SER A 59 -1.729 5.346 -12.222 1.00 0.00 C ATOM 886 O SER A 59 -1.334 6.283 -11.527 1.00 0.00 O ATOM 887 CB SER A 59 0.377 4.957 -13.515 1.00 0.00 C ATOM 888 OG SER A 59 0.895 4.267 -14.639 1.00 0.00 O ATOM 0 H SER A 59 -0.825 6.951 -14.540 1.00 0.00 H new ATOM 0 HA SER A 59 -1.564 4.173 -14.000 1.00 0.00 H new ATOM 0 HB2 SER A 59 0.834 5.944 -13.448 1.00 0.00 H new ATOM 0 HB3 SER A 59 0.640 4.422 -12.603 1.00 0.00 H new ATOM 0 HG SER A 59 1.869 4.191 -14.556 1.00 0.00 H new ATOM 894 N ASN A 60 -2.674 4.500 -11.826 1.00 0.00 N ATOM 895 CA ASN A 60 -3.315 4.626 -10.523 1.00 0.00 C ATOM 896 C ASN A 60 -2.964 3.443 -9.626 1.00 0.00 C ATOM 897 O ASN A 60 -3.712 3.102 -8.710 1.00 0.00 O ATOM 898 CB ASN A 60 -4.833 4.724 -10.686 1.00 0.00 C ATOM 899 CG ASN A 60 -5.415 3.527 -11.414 1.00 0.00 C ATOM 900 OD1 ASN A 60 -5.005 3.206 -12.529 1.00 0.00 O ATOM 901 ND2 ASN A 60 -6.376 2.861 -10.784 1.00 0.00 N ATOM 0 H ASN A 60 -3.013 3.720 -12.389 1.00 0.00 H new ATOM 0 HA ASN A 60 -2.947 5.537 -10.052 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -5.296 4.809 -9.703 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -5.079 5.634 -11.234 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -6.805 2.047 -11.224 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -6.685 3.163 -9.860 1.00 0.00 H new ATOM 908 N GLN A 61 -1.821 2.821 -9.897 1.00 0.00 N ATOM 909 CA GLN A 61 -1.371 1.675 -9.115 1.00 0.00 C ATOM 910 C GLN A 61 -0.171 2.046 -8.248 1.00 0.00 C ATOM 911 O GLN A 61 0.860 2.487 -8.756 1.00 0.00 O ATOM 912 CB GLN A 61 -1.008 0.512 -10.040 1.00 0.00 C ATOM 913 CG GLN A 61 0.101 0.842 -11.026 1.00 0.00 C ATOM 914 CD GLN A 61 0.053 -0.025 -12.270 1.00 0.00 C ATOM 915 OE1 GLN A 61 0.089 0.478 -13.392 1.00 0.00 O ATOM 916 NE2 GLN A 61 -0.030 -1.336 -12.074 1.00 0.00 N ATOM 0 H GLN A 61 -1.190 3.091 -10.652 1.00 0.00 H new ATOM 0 HA GLN A 61 -2.187 1.368 -8.461 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -0.702 -0.341 -9.434 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -1.896 0.208 -10.594 1.00 0.00 H new ATOM 0 HG2 GLN A 61 0.025 1.890 -11.315 1.00 0.00 H new ATOM 0 HG3 GLN A 61 1.067 0.716 -10.537 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -0.057 -1.709 -11.125 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -0.067 -1.970 -12.872 1.00 0.00 H new ATOM 925 N ILE A 62 -0.315 1.862 -6.940 1.00 0.00 N ATOM 926 CA ILE A 62 0.757 2.177 -6.004 1.00 0.00 C ATOM 927 C ILE A 62 1.864 1.129 -6.064 1.00 0.00 C ATOM 928 O ILE A 62 1.614 -0.039 -6.362 1.00 0.00 O ATOM 929 CB ILE A 62 0.233 2.272 -4.560 1.00 0.00 C ATOM 930 CG1 ILE A 62 -0.519 3.587 -4.352 1.00 0.00 C ATOM 931 CG2 ILE A 62 1.382 2.151 -3.569 1.00 0.00 C ATOM 932 CD1 ILE A 62 -1.250 3.664 -3.029 1.00 0.00 C ATOM 0 H ILE A 62 -1.162 1.497 -6.505 1.00 0.00 H new ATOM 0 HA ILE A 62 1.160 3.146 -6.300 1.00 0.00 H new ATOM 0 HB ILE A 62 -0.459 1.448 -4.387 1.00 0.00 H new ATOM 0 HG12 ILE A 62 0.188 4.414 -4.416 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -1.236 3.718 -5.162 1.00 0.00 H new ATOM 0 HG21 ILE A 62 0.995 2.220 -2.553 1.00 0.00 H new ATOM 0 HG22 ILE A 62 1.879 1.190 -3.703 1.00 0.00 H new ATOM 0 HG23 ILE A 62 2.097 2.956 -3.740 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -1.760 4.624 -2.951 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -1.982 2.858 -2.970 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -0.535 3.565 -2.212 1.00 0.00 H new ATOM 944 N LYS A 63 3.090 1.555 -5.777 1.00 0.00 N ATOM 945 CA LYS A 63 4.237 0.654 -5.794 1.00 0.00 C ATOM 946 C LYS A 63 4.817 0.486 -4.393 1.00 0.00 C ATOM 947 O LYS A 63 4.918 1.448 -3.634 1.00 0.00 O ATOM 948 CB LYS A 63 5.313 1.184 -6.744 1.00 0.00 C ATOM 949 CG LYS A 63 6.486 0.235 -6.924 1.00 0.00 C ATOM 950 CD LYS A 63 7.554 0.834 -7.824 1.00 0.00 C ATOM 951 CE LYS A 63 8.310 -0.244 -8.585 1.00 0.00 C ATOM 952 NZ LYS A 63 7.597 -0.646 -9.830 1.00 0.00 N ATOM 0 H LYS A 63 3.315 2.519 -5.530 1.00 0.00 H new ATOM 0 HA LYS A 63 3.898 -0.320 -6.147 1.00 0.00 H new ATOM 0 HB2 LYS A 63 4.862 1.380 -7.717 1.00 0.00 H new ATOM 0 HB3 LYS A 63 5.682 2.137 -6.366 1.00 0.00 H new ATOM 0 HG2 LYS A 63 6.918 0.000 -5.951 1.00 0.00 H new ATOM 0 HG3 LYS A 63 6.134 -0.704 -7.351 1.00 0.00 H new ATOM 0 HD2 LYS A 63 7.091 1.523 -8.531 1.00 0.00 H new ATOM 0 HD3 LYS A 63 8.253 1.415 -7.223 1.00 0.00 H new ATOM 0 HE2 LYS A 63 9.306 0.120 -8.838 1.00 0.00 H new ATOM 0 HE3 LYS A 63 8.443 -1.116 -7.944 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 8.144 -1.382 -10.321 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 6.656 -1.017 -9.587 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 7.493 0.180 -10.453 1.00 0.00 H new ATOM 966 N ILE A 64 5.198 -0.743 -4.060 1.00 0.00 N ATOM 967 CA ILE A 64 5.771 -1.036 -2.752 1.00 0.00 C ATOM 968 C ILE A 64 6.986 -1.948 -2.877 1.00 0.00 C ATOM 969 O ILE A 64 6.872 -3.101 -3.296 1.00 0.00 O ATOM 970 CB ILE A 64 4.739 -1.698 -1.821 1.00 0.00 C ATOM 971 CG1 ILE A 64 3.704 -2.473 -2.639 1.00 0.00 C ATOM 972 CG2 ILE A 64 4.059 -0.649 -0.953 1.00 0.00 C ATOM 973 CD1 ILE A 64 2.668 -3.178 -1.792 1.00 0.00 C ATOM 0 H ILE A 64 5.120 -1.551 -4.677 1.00 0.00 H new ATOM 0 HA ILE A 64 6.078 -0.083 -2.321 1.00 0.00 H new ATOM 0 HB ILE A 64 5.258 -2.400 -1.169 1.00 0.00 H new ATOM 0 HG12 ILE A 64 3.200 -1.785 -3.317 1.00 0.00 H new ATOM 0 HG13 ILE A 64 4.218 -3.209 -3.257 1.00 0.00 H new ATOM 0 HG21 ILE A 64 3.332 -1.132 -0.300 1.00 0.00 H new ATOM 0 HG22 ILE A 64 4.807 -0.138 -0.347 1.00 0.00 H new ATOM 0 HG23 ILE A 64 3.550 0.075 -1.589 1.00 0.00 H new ATOM 0 HD11 ILE A 64 1.968 -3.706 -2.439 1.00 0.00 H new ATOM 0 HD12 ILE A 64 3.162 -3.891 -1.132 1.00 0.00 H new ATOM 0 HD13 ILE A 64 2.127 -2.445 -1.194 1.00 0.00 H new ATOM 985 N THR A 65 8.152 -1.426 -2.507 1.00 0.00 N ATOM 986 CA THR A 65 9.389 -2.193 -2.577 1.00 0.00 C ATOM 987 C THR A 65 10.040 -2.313 -1.203 1.00 0.00 C ATOM 988 O THR A 65 9.897 -1.430 -0.359 1.00 0.00 O ATOM 989 CB THR A 65 10.394 -1.553 -3.553 1.00 0.00 C ATOM 990 OG1 THR A 65 9.837 -1.513 -4.872 1.00 0.00 O ATOM 991 CG2 THR A 65 11.700 -2.331 -3.573 1.00 0.00 C ATOM 0 H THR A 65 8.265 -0.475 -2.156 1.00 0.00 H new ATOM 0 HA THR A 65 9.124 -3.186 -2.940 1.00 0.00 H new ATOM 0 HB THR A 65 10.600 -0.538 -3.214 1.00 0.00 H new ATOM 0 HG1 THR A 65 10.481 -1.103 -5.487 1.00 0.00 H new ATOM 0 HG21 THR A 65 12.394 -1.860 -4.269 1.00 0.00 H new ATOM 0 HG22 THR A 65 12.136 -2.336 -2.574 1.00 0.00 H new ATOM 0 HG23 THR A 65 11.508 -3.356 -3.890 1.00 0.00 H new ATOM 999 N GLY A 66 10.757 -3.412 -0.986 1.00 0.00 N ATOM 1000 CA GLY A 66 11.419 -3.626 0.288 1.00 0.00 C ATOM 1001 C GLY A 66 11.537 -5.095 0.639 1.00 0.00 C ATOM 1002 O GLY A 66 11.746 -5.937 -0.235 1.00 0.00 O ATOM 0 H GLY A 66 10.891 -4.157 -1.669 1.00 0.00 H new ATOM 0 HA2 GLY A 66 12.414 -3.182 0.256 1.00 0.00 H new ATOM 0 HA3 GLY A 66 10.865 -3.111 1.073 1.00 0.00 H new ATOM 1006 N THR A 67 11.406 -5.407 1.925 1.00 0.00 N ATOM 1007 CA THR A 67 11.503 -6.784 2.392 1.00 0.00 C ATOM 1008 C THR A 67 10.192 -7.532 2.174 1.00 0.00 C ATOM 1009 O THR A 67 9.148 -6.922 1.943 1.00 0.00 O ATOM 1010 CB THR A 67 11.874 -6.847 3.885 1.00 0.00 C ATOM 1011 OG1 THR A 67 10.922 -6.106 4.658 1.00 0.00 O ATOM 1012 CG2 THR A 67 13.270 -6.290 4.120 1.00 0.00 C ATOM 0 H THR A 67 11.232 -4.723 2.662 1.00 0.00 H new ATOM 0 HA THR A 67 12.292 -7.260 1.809 1.00 0.00 H new ATOM 0 HB THR A 67 11.860 -7.891 4.197 1.00 0.00 H new ATOM 0 HG1 THR A 67 11.164 -6.152 5.607 1.00 0.00 H new ATOM 0 HG21 THR A 67 13.510 -6.345 5.182 1.00 0.00 H new ATOM 0 HG22 THR A 67 13.995 -6.874 3.554 1.00 0.00 H new ATOM 0 HG23 THR A 67 13.307 -5.251 3.793 1.00 0.00 H new ATOM 1020 N LYS A 68 10.253 -8.857 2.247 1.00 0.00 N ATOM 1021 CA LYS A 68 9.070 -9.689 2.059 1.00 0.00 C ATOM 1022 C LYS A 68 8.038 -9.421 3.149 1.00 0.00 C ATOM 1023 O LYS A 68 6.845 -9.647 2.954 1.00 0.00 O ATOM 1024 CB LYS A 68 9.458 -11.170 2.062 1.00 0.00 C ATOM 1025 CG LYS A 68 9.760 -11.722 0.679 1.00 0.00 C ATOM 1026 CD LYS A 68 8.492 -11.896 -0.140 1.00 0.00 C ATOM 1027 CE LYS A 68 7.694 -13.108 0.317 1.00 0.00 C ATOM 1028 NZ LYS A 68 6.823 -13.640 -0.768 1.00 0.00 N ATOM 0 H LYS A 68 11.109 -9.378 2.435 1.00 0.00 H new ATOM 0 HA LYS A 68 8.628 -9.437 1.095 1.00 0.00 H new ATOM 0 HB2 LYS A 68 10.333 -11.307 2.698 1.00 0.00 H new ATOM 0 HB3 LYS A 68 8.648 -11.748 2.506 1.00 0.00 H new ATOM 0 HG2 LYS A 68 10.441 -11.049 0.158 1.00 0.00 H new ATOM 0 HG3 LYS A 68 10.269 -12.681 0.772 1.00 0.00 H new ATOM 0 HD2 LYS A 68 7.877 -11.001 -0.054 1.00 0.00 H new ATOM 0 HD3 LYS A 68 8.750 -12.005 -1.193 1.00 0.00 H new ATOM 0 HE2 LYS A 68 8.378 -13.889 0.649 1.00 0.00 H new ATOM 0 HE3 LYS A 68 7.080 -12.836 1.175 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 6.296 -14.465 -0.417 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 6.153 -12.903 -1.068 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 7.411 -13.924 -1.578 1.00 0.00 H new ATOM 1042 N GLU A 69 8.507 -8.938 4.296 1.00 0.00 N ATOM 1043 CA GLU A 69 7.622 -8.639 5.416 1.00 0.00 C ATOM 1044 C GLU A 69 7.166 -7.184 5.376 1.00 0.00 C ATOM 1045 O GLU A 69 6.025 -6.870 5.712 1.00 0.00 O ATOM 1046 CB GLU A 69 8.328 -8.927 6.743 1.00 0.00 C ATOM 1047 CG GLU A 69 8.599 -10.403 6.981 1.00 0.00 C ATOM 1048 CD GLU A 69 7.332 -11.236 6.979 1.00 0.00 C ATOM 1049 OE1 GLU A 69 6.307 -10.758 7.509 1.00 0.00 O ATOM 1050 OE2 GLU A 69 7.365 -12.366 6.449 1.00 0.00 O ATOM 0 H GLU A 69 9.493 -8.746 4.474 1.00 0.00 H new ATOM 0 HA GLU A 69 6.744 -9.279 5.333 1.00 0.00 H new ATOM 0 HB2 GLU A 69 9.273 -8.384 6.767 1.00 0.00 H new ATOM 0 HB3 GLU A 69 7.718 -8.542 7.560 1.00 0.00 H new ATOM 0 HG2 GLU A 69 9.274 -10.774 6.210 1.00 0.00 H new ATOM 0 HG3 GLU A 69 9.109 -10.526 7.937 1.00 0.00 H new ATOM 1057 N GLY A 70 8.067 -6.298 4.961 1.00 0.00 N ATOM 1058 CA GLY A 70 7.739 -4.886 4.885 1.00 0.00 C ATOM 1059 C GLY A 70 6.651 -4.599 3.869 1.00 0.00 C ATOM 1060 O GLY A 70 5.624 -4.006 4.201 1.00 0.00 O ATOM 0 H GLY A 70 9.018 -6.533 4.676 1.00 0.00 H new ATOM 0 HA2 GLY A 70 7.417 -4.537 5.866 1.00 0.00 H new ATOM 0 HA3 GLY A 70 8.634 -4.321 4.624 1.00 0.00 H new ATOM 1064 N ILE A 71 6.878 -5.016 2.628 1.00 0.00 N ATOM 1065 CA ILE A 71 5.908 -4.799 1.561 1.00 0.00 C ATOM 1066 C ILE A 71 4.541 -5.360 1.938 1.00 0.00 C ATOM 1067 O ILE A 71 3.519 -4.697 1.766 1.00 0.00 O ATOM 1068 CB ILE A 71 6.370 -5.443 0.241 1.00 0.00 C ATOM 1069 CG1 ILE A 71 7.729 -4.879 -0.179 1.00 0.00 C ATOM 1070 CG2 ILE A 71 5.336 -5.214 -0.851 1.00 0.00 C ATOM 1071 CD1 ILE A 71 8.395 -5.668 -1.284 1.00 0.00 C ATOM 0 H ILE A 71 7.724 -5.506 2.337 1.00 0.00 H new ATOM 0 HA ILE A 71 5.829 -3.721 1.421 1.00 0.00 H new ATOM 0 HB ILE A 71 6.475 -6.517 0.396 1.00 0.00 H new ATOM 0 HG12 ILE A 71 7.600 -3.848 -0.507 1.00 0.00 H new ATOM 0 HG13 ILE A 71 8.388 -4.857 0.689 1.00 0.00 H new ATOM 0 HG21 ILE A 71 5.677 -5.675 -1.778 1.00 0.00 H new ATOM 0 HG22 ILE A 71 4.387 -5.659 -0.552 1.00 0.00 H new ATOM 0 HG23 ILE A 71 5.202 -4.143 -1.006 1.00 0.00 H new ATOM 0 HD11 ILE A 71 9.353 -5.211 -1.530 1.00 0.00 H new ATOM 0 HD12 ILE A 71 8.556 -6.694 -0.952 1.00 0.00 H new ATOM 0 HD13 ILE A 71 7.756 -5.669 -2.167 1.00 0.00 H new ATOM 1083 N GLU A 72 4.532 -6.585 2.452 1.00 0.00 N ATOM 1084 CA GLU A 72 3.290 -7.235 2.853 1.00 0.00 C ATOM 1085 C GLU A 72 2.486 -6.341 3.792 1.00 0.00 C ATOM 1086 O GLU A 72 1.280 -6.164 3.620 1.00 0.00 O ATOM 1087 CB GLU A 72 3.586 -8.574 3.533 1.00 0.00 C ATOM 1088 CG GLU A 72 3.793 -9.720 2.558 1.00 0.00 C ATOM 1089 CD GLU A 72 3.973 -11.055 3.256 1.00 0.00 C ATOM 1090 OE1 GLU A 72 4.524 -11.069 4.376 1.00 0.00 O ATOM 1091 OE2 GLU A 72 3.563 -12.084 2.681 1.00 0.00 O ATOM 0 H GLU A 72 5.370 -7.147 2.601 1.00 0.00 H new ATOM 0 HA GLU A 72 2.698 -7.415 1.956 1.00 0.00 H new ATOM 0 HB2 GLU A 72 4.478 -8.469 4.151 1.00 0.00 H new ATOM 0 HB3 GLU A 72 2.762 -8.822 4.202 1.00 0.00 H new ATOM 0 HG2 GLU A 72 2.938 -9.779 1.885 1.00 0.00 H new ATOM 0 HG3 GLU A 72 4.669 -9.515 1.943 1.00 0.00 H new ATOM 1098 N LYS A 73 3.164 -5.779 4.788 1.00 0.00 N ATOM 1099 CA LYS A 73 2.516 -4.903 5.756 1.00 0.00 C ATOM 1100 C LYS A 73 1.824 -3.738 5.057 1.00 0.00 C ATOM 1101 O LYS A 73 0.631 -3.503 5.254 1.00 0.00 O ATOM 1102 CB LYS A 73 3.542 -4.371 6.760 1.00 0.00 C ATOM 1103 CG LYS A 73 3.835 -5.335 7.897 1.00 0.00 C ATOM 1104 CD LYS A 73 5.137 -4.988 8.599 1.00 0.00 C ATOM 1105 CE LYS A 73 4.948 -3.858 9.599 1.00 0.00 C ATOM 1106 NZ LYS A 73 4.242 -4.317 10.828 1.00 0.00 N ATOM 0 H LYS A 73 4.163 -5.915 4.945 1.00 0.00 H new ATOM 0 HA LYS A 73 1.763 -5.485 6.288 1.00 0.00 H new ATOM 0 HB2 LYS A 73 4.471 -4.149 6.235 1.00 0.00 H new ATOM 0 HB3 LYS A 73 3.178 -3.431 7.176 1.00 0.00 H new ATOM 0 HG2 LYS A 73 3.016 -5.312 8.615 1.00 0.00 H new ATOM 0 HG3 LYS A 73 3.890 -6.352 7.508 1.00 0.00 H new ATOM 0 HD2 LYS A 73 5.520 -5.869 9.113 1.00 0.00 H new ATOM 0 HD3 LYS A 73 5.884 -4.700 7.860 1.00 0.00 H new ATOM 0 HE2 LYS A 73 5.920 -3.447 9.871 1.00 0.00 H new ATOM 0 HE3 LYS A 73 4.380 -3.052 9.134 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 4.296 -3.577 11.556 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 3.245 -4.510 10.604 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 4.692 -5.185 11.183 1.00 0.00 H new ATOM 1120 N ALA A 74 2.578 -3.012 4.238 1.00 0.00 N ATOM 1121 CA ALA A 74 2.036 -1.874 3.507 1.00 0.00 C ATOM 1122 C ALA A 74 0.933 -2.312 2.548 1.00 0.00 C ATOM 1123 O ALA A 74 -0.046 -1.594 2.342 1.00 0.00 O ATOM 1124 CB ALA A 74 3.143 -1.157 2.748 1.00 0.00 C ATOM 0 H ALA A 74 3.567 -3.192 4.064 1.00 0.00 H new ATOM 0 HA ALA A 74 1.601 -1.184 4.230 1.00 0.00 H new ATOM 0 HB1 ALA A 74 2.723 -0.309 2.207 1.00 0.00 H new ATOM 0 HB2 ALA A 74 3.895 -0.801 3.452 1.00 0.00 H new ATOM 0 HB3 ALA A 74 3.605 -1.846 2.041 1.00 0.00 H new ATOM 1130 N ARG A 75 1.099 -3.494 1.963 1.00 0.00 N ATOM 1131 CA ARG A 75 0.118 -4.027 1.026 1.00 0.00 C ATOM 1132 C ARG A 75 -1.184 -4.377 1.740 1.00 0.00 C ATOM 1133 O ARG A 75 -2.273 -4.116 1.230 1.00 0.00 O ATOM 1134 CB ARG A 75 0.676 -5.265 0.322 1.00 0.00 C ATOM 1135 CG ARG A 75 0.078 -5.504 -1.056 1.00 0.00 C ATOM 1136 CD ARG A 75 0.150 -6.971 -1.448 1.00 0.00 C ATOM 1137 NE ARG A 75 1.377 -7.284 -2.174 1.00 0.00 N ATOM 1138 CZ ARG A 75 1.905 -8.502 -2.235 1.00 0.00 C ATOM 1139 NH1 ARG A 75 1.316 -9.515 -1.615 1.00 0.00 N ATOM 1140 NH2 ARG A 75 3.026 -8.708 -2.916 1.00 0.00 N ATOM 0 H ARG A 75 1.904 -4.100 2.122 1.00 0.00 H new ATOM 0 HA ARG A 75 -0.093 -3.258 0.283 1.00 0.00 H new ATOM 0 HB2 ARG A 75 1.757 -5.162 0.227 1.00 0.00 H new ATOM 0 HB3 ARG A 75 0.493 -6.140 0.945 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -0.961 -5.175 -1.065 1.00 0.00 H new ATOM 0 HG3 ARG A 75 0.609 -4.903 -1.794 1.00 0.00 H new ATOM 0 HD2 ARG A 75 0.091 -7.589 -0.552 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -0.711 -7.224 -2.066 1.00 0.00 H new ATOM 0 HE ARG A 75 1.855 -6.526 -2.661 1.00 0.00 H new ATOM 0 HH11 ARG A 75 0.455 -9.361 -1.090 1.00 0.00 H new ATOM 0 HH12 ARG A 75 1.723 -10.449 -1.663 1.00 0.00 H new ATOM 0 HH21 ARG A 75 3.483 -7.931 -3.393 1.00 0.00 H new ATOM 0 HH22 ARG A 75 3.430 -9.643 -2.962 1.00 0.00 H new ATOM 1154 N HIS A 76 -1.062 -4.970 2.924 1.00 0.00 N ATOM 1155 CA HIS A 76 -2.230 -5.356 3.708 1.00 0.00 C ATOM 1156 C HIS A 76 -2.954 -4.126 4.247 1.00 0.00 C ATOM 1157 O HIS A 76 -4.162 -4.156 4.473 1.00 0.00 O ATOM 1158 CB HIS A 76 -1.815 -6.265 4.865 1.00 0.00 C ATOM 1159 CG HIS A 76 -2.971 -6.906 5.570 1.00 0.00 C ATOM 1160 ND1 HIS A 76 -3.847 -7.770 4.946 1.00 0.00 N ATOM 1161 CD2 HIS A 76 -3.393 -6.803 6.851 1.00 0.00 C ATOM 1162 CE1 HIS A 76 -4.758 -8.170 5.814 1.00 0.00 C ATOM 1163 NE2 HIS A 76 -4.505 -7.599 6.978 1.00 0.00 N ATOM 0 H HIS A 76 -0.168 -5.193 3.361 1.00 0.00 H new ATOM 0 HA HIS A 76 -2.912 -5.900 3.054 1.00 0.00 H new ATOM 0 HB2 HIS A 76 -1.155 -7.045 4.485 1.00 0.00 H new ATOM 0 HB3 HIS A 76 -1.239 -5.683 5.585 1.00 0.00 H new ATOM 0 HD2 HIS A 76 -2.940 -6.206 7.629 1.00 0.00 H new ATOM 0 HE1 HIS A 76 -5.572 -8.849 5.607 1.00 0.00 H new ATOM 0 HE2 HIS A 76 -5.047 -7.728 7.832 1.00 0.00 H new ATOM 1171 N GLU A 77 -2.204 -3.046 4.451 1.00 0.00 N ATOM 1172 CA GLU A 77 -2.776 -1.808 4.965 1.00 0.00 C ATOM 1173 C GLU A 77 -3.407 -0.992 3.840 1.00 0.00 C ATOM 1174 O GLU A 77 -4.550 -0.548 3.946 1.00 0.00 O ATOM 1175 CB GLU A 77 -1.700 -0.978 5.669 1.00 0.00 C ATOM 1176 CG GLU A 77 -1.235 -1.575 6.987 1.00 0.00 C ATOM 1177 CD GLU A 77 -2.325 -1.579 8.041 1.00 0.00 C ATOM 1178 OE1 GLU A 77 -3.124 -2.539 8.066 1.00 0.00 O ATOM 1179 OE2 GLU A 77 -2.378 -0.622 8.841 1.00 0.00 O ATOM 0 H GLU A 77 -1.201 -3.005 4.268 1.00 0.00 H new ATOM 0 HA GLU A 77 -3.554 -2.067 5.683 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -0.842 -0.873 5.005 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -2.087 0.024 5.851 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -0.893 -2.596 6.819 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -0.379 -1.009 7.356 1.00 0.00 H new ATOM 1186 N VAL A 78 -2.654 -0.798 2.762 1.00 0.00 N ATOM 1187 CA VAL A 78 -3.139 -0.037 1.617 1.00 0.00 C ATOM 1188 C VAL A 78 -4.400 -0.666 1.034 1.00 0.00 C ATOM 1189 O VAL A 78 -5.312 0.037 0.597 1.00 0.00 O ATOM 1190 CB VAL A 78 -2.069 0.059 0.513 1.00 0.00 C ATOM 1191 CG1 VAL A 78 -1.990 -1.244 -0.269 1.00 0.00 C ATOM 1192 CG2 VAL A 78 -2.363 1.229 -0.413 1.00 0.00 C ATOM 0 H VAL A 78 -1.705 -1.158 2.658 1.00 0.00 H new ATOM 0 HA VAL A 78 -3.369 0.966 1.977 1.00 0.00 H new ATOM 0 HB VAL A 78 -1.101 0.232 0.983 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -1.229 -1.157 -1.044 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -1.729 -2.059 0.407 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -2.956 -1.451 -0.730 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -1.597 1.282 -1.187 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -3.339 1.089 -0.877 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -2.364 2.156 0.161 1.00 0.00 H new ATOM 1202 N LEU A 79 -4.445 -1.994 1.030 1.00 0.00 N ATOM 1203 CA LEU A 79 -5.596 -2.718 0.501 1.00 0.00 C ATOM 1204 C LEU A 79 -6.795 -2.591 1.435 1.00 0.00 C ATOM 1205 O LEU A 79 -7.926 -2.392 0.987 1.00 0.00 O ATOM 1206 CB LEU A 79 -5.245 -4.193 0.300 1.00 0.00 C ATOM 1207 CG LEU A 79 -4.569 -4.549 -1.024 1.00 0.00 C ATOM 1208 CD1 LEU A 79 -3.894 -5.909 -0.931 1.00 0.00 C ATOM 1209 CD2 LEU A 79 -5.581 -4.531 -2.161 1.00 0.00 C ATOM 0 H LEU A 79 -3.699 -2.591 1.387 1.00 0.00 H new ATOM 0 HA LEU A 79 -5.861 -2.279 -0.461 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -4.590 -4.504 1.114 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -6.160 -4.778 0.386 1.00 0.00 H new ATOM 0 HG LEU A 79 -3.804 -3.800 -1.232 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -3.418 -6.145 -1.883 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -3.140 -5.888 -0.144 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -4.639 -6.670 -0.699 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -5.082 -4.787 -3.096 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -6.368 -5.257 -1.959 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -6.018 -3.536 -2.243 1.00 0.00 H new ATOM 1221 N LEU A 80 -6.543 -2.703 2.734 1.00 0.00 N ATOM 1222 CA LEU A 80 -7.602 -2.598 3.731 1.00 0.00 C ATOM 1223 C LEU A 80 -8.319 -1.256 3.625 1.00 0.00 C ATOM 1224 O LEU A 80 -9.545 -1.203 3.524 1.00 0.00 O ATOM 1225 CB LEU A 80 -7.024 -2.771 5.137 1.00 0.00 C ATOM 1226 CG LEU A 80 -6.911 -4.208 5.645 1.00 0.00 C ATOM 1227 CD1 LEU A 80 -6.047 -4.267 6.894 1.00 0.00 C ATOM 1228 CD2 LEU A 80 -8.291 -4.788 5.919 1.00 0.00 C ATOM 0 H LEU A 80 -5.614 -2.867 3.122 1.00 0.00 H new ATOM 0 HA LEU A 80 -8.325 -3.391 3.542 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -6.032 -2.321 5.158 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -7.644 -2.208 5.835 1.00 0.00 H new ATOM 0 HG LEU A 80 -6.434 -4.810 4.871 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -5.978 -5.298 7.241 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -5.049 -3.894 6.664 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -6.493 -3.651 7.675 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -8.190 -5.812 6.280 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -8.796 -4.185 6.674 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -8.877 -4.783 5.000 1.00 0.00 H new ATOM 1240 N ILE A 81 -7.547 -0.175 3.646 1.00 0.00 N ATOM 1241 CA ILE A 81 -8.109 1.166 3.549 1.00 0.00 C ATOM 1242 C ILE A 81 -8.865 1.351 2.238 1.00 0.00 C ATOM 1243 O ILE A 81 -10.029 1.752 2.233 1.00 0.00 O ATOM 1244 CB ILE A 81 -7.013 2.244 3.652 1.00 0.00 C ATOM 1245 CG1 ILE A 81 -6.247 2.097 4.969 1.00 0.00 C ATOM 1246 CG2 ILE A 81 -7.624 3.632 3.541 1.00 0.00 C ATOM 1247 CD1 ILE A 81 -4.853 2.683 4.924 1.00 0.00 C ATOM 0 H ILE A 81 -6.531 -0.202 3.729 1.00 0.00 H new ATOM 0 HA ILE A 81 -8.800 1.280 4.384 1.00 0.00 H new ATOM 0 HB ILE A 81 -6.312 2.110 2.828 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -6.811 2.583 5.765 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -6.180 1.040 5.225 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -6.837 4.383 3.616 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -8.130 3.731 2.581 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -8.343 3.779 4.347 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -4.368 2.544 5.890 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -4.272 2.181 4.151 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -4.913 3.748 4.699 1.00 0.00 H new ATOM 1259 N SER A 82 -8.196 1.055 1.128 1.00 0.00 N ATOM 1260 CA SER A 82 -8.805 1.191 -0.190 1.00 0.00 C ATOM 1261 C SER A 82 -10.105 0.397 -0.273 1.00 0.00 C ATOM 1262 O SER A 82 -11.066 0.823 -0.912 1.00 0.00 O ATOM 1263 CB SER A 82 -7.835 0.717 -1.275 1.00 0.00 C ATOM 1264 OG SER A 82 -6.574 1.350 -1.141 1.00 0.00 O ATOM 0 H SER A 82 -7.233 0.720 1.115 1.00 0.00 H new ATOM 0 HA SER A 82 -9.032 2.245 -0.350 1.00 0.00 H new ATOM 0 HB2 SER A 82 -7.712 -0.364 -1.211 1.00 0.00 H new ATOM 0 HB3 SER A 82 -8.251 0.932 -2.259 1.00 0.00 H new ATOM 0 HG SER A 82 -5.937 0.726 -0.735 1.00 0.00 H new ATOM 1270 N ALA A 83 -10.126 -0.761 0.379 1.00 0.00 N ATOM 1271 CA ALA A 83 -11.307 -1.615 0.382 1.00 0.00 C ATOM 1272 C ALA A 83 -12.473 -0.937 1.094 1.00 0.00 C ATOM 1273 O ALA A 83 -13.564 -0.815 0.538 1.00 0.00 O ATOM 1274 CB ALA A 83 -10.991 -2.951 1.038 1.00 0.00 C ATOM 0 H ALA A 83 -9.338 -1.129 0.912 1.00 0.00 H new ATOM 0 HA ALA A 83 -11.600 -1.791 -0.653 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -11.882 -3.579 1.033 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -10.194 -3.448 0.485 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -10.670 -2.785 2.066 1.00 0.00 H new ATOM 1280 N GLU A 84 -12.234 -0.499 2.327 1.00 0.00 N ATOM 1281 CA GLU A 84 -13.266 0.166 3.114 1.00 0.00 C ATOM 1282 C GLU A 84 -13.992 1.219 2.282 1.00 0.00 C ATOM 1283 O GLU A 84 -15.213 1.351 2.358 1.00 0.00 O ATOM 1284 CB GLU A 84 -12.653 0.814 4.356 1.00 0.00 C ATOM 1285 CG GLU A 84 -12.615 -0.102 5.566 1.00 0.00 C ATOM 1286 CD GLU A 84 -13.965 -0.230 6.244 1.00 0.00 C ATOM 1287 OE1 GLU A 84 -14.313 0.661 7.046 1.00 0.00 O ATOM 1288 OE2 GLU A 84 -14.675 -1.221 5.972 1.00 0.00 O ATOM 0 H GLU A 84 -11.336 -0.593 2.801 1.00 0.00 H new ATOM 0 HA GLU A 84 -13.990 -0.587 3.426 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -11.638 1.136 4.123 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -13.222 1.709 4.607 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -12.272 -1.090 5.258 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -11.887 0.279 6.283 1.00 0.00 H new ATOM 1295 N GLN A 85 -13.230 1.964 1.488 1.00 0.00 N ATOM 1296 CA GLN A 85 -13.800 3.007 0.642 1.00 0.00 C ATOM 1297 C GLN A 85 -14.856 2.431 -0.296 1.00 0.00 C ATOM 1298 O GLN A 85 -15.944 2.988 -0.439 1.00 0.00 O ATOM 1299 CB GLN A 85 -12.701 3.693 -0.169 1.00 0.00 C ATOM 1300 CG GLN A 85 -11.633 4.353 0.689 1.00 0.00 C ATOM 1301 CD GLN A 85 -12.214 5.313 1.709 1.00 0.00 C ATOM 1302 OE1 GLN A 85 -13.295 5.868 1.510 1.00 0.00 O ATOM 1303 NE2 GLN A 85 -11.499 5.512 2.809 1.00 0.00 N ATOM 0 H GLN A 85 -12.218 1.865 1.412 1.00 0.00 H new ATOM 0 HA GLN A 85 -14.277 3.743 1.289 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -12.229 2.957 -0.820 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -13.153 4.446 -0.814 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -11.060 3.583 1.206 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -10.936 4.890 0.046 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -10.608 5.031 2.932 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -11.840 6.146 3.531 1.00 0.00 H new ATOM 1312 N ASP A 86 -14.527 1.312 -0.932 1.00 0.00 N ATOM 1313 CA ASP A 86 -15.447 0.660 -1.856 1.00 0.00 C ATOM 1314 C ASP A 86 -16.872 0.686 -1.314 1.00 0.00 C ATOM 1315 O ASP A 86 -17.825 0.940 -2.051 1.00 0.00 O ATOM 1316 CB ASP A 86 -15.010 -0.785 -2.109 1.00 0.00 C ATOM 1317 CG ASP A 86 -16.005 -1.550 -2.961 1.00 0.00 C ATOM 1318 OD1 ASP A 86 -16.423 -1.015 -4.009 1.00 0.00 O ATOM 1319 OD2 ASP A 86 -16.364 -2.682 -2.579 1.00 0.00 O ATOM 0 H ASP A 86 -13.630 0.838 -0.825 1.00 0.00 H new ATOM 0 HA ASP A 86 -15.426 1.208 -2.798 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -14.038 -0.787 -2.601 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -14.885 -1.296 -1.154 1.00 0.00 H new ATOM 1324 N LYS A 87 -17.012 0.420 -0.019 1.00 0.00 N ATOM 1325 CA LYS A 87 -18.321 0.412 0.623 1.00 0.00 C ATOM 1326 C LYS A 87 -18.966 1.793 0.559 1.00 0.00 C ATOM 1327 O LYS A 87 -20.116 1.932 0.140 1.00 0.00 O ATOM 1328 CB LYS A 87 -18.192 -0.035 2.081 1.00 0.00 C ATOM 1329 CG LYS A 87 -19.524 -0.144 2.803 1.00 0.00 C ATOM 1330 CD LYS A 87 -19.352 -0.042 4.310 1.00 0.00 C ATOM 1331 CE LYS A 87 -20.620 0.463 4.983 1.00 0.00 C ATOM 1332 NZ LYS A 87 -20.409 0.727 6.434 1.00 0.00 N ATOM 0 H LYS A 87 -16.235 0.207 0.606 1.00 0.00 H new ATOM 0 HA LYS A 87 -18.958 -0.292 0.088 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -17.691 -1.002 2.113 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -17.556 0.672 2.614 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -20.192 0.646 2.458 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -19.997 -1.094 2.553 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -19.089 -1.019 4.714 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -18.525 0.630 4.538 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -20.953 1.377 4.492 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -21.415 -0.273 4.859 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -21.295 1.069 6.857 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -20.116 -0.151 6.908 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -19.668 1.447 6.552 1.00 0.00 H new ATOM 1346 N ARG A 88 -18.219 2.811 0.974 1.00 0.00 N ATOM 1347 CA ARG A 88 -18.719 4.180 0.964 1.00 0.00 C ATOM 1348 C ARG A 88 -18.423 4.856 -0.372 1.00 0.00 C ATOM 1349 O ARG A 88 -17.380 5.487 -0.541 1.00 0.00 O ATOM 1350 CB ARG A 88 -18.092 4.984 2.104 1.00 0.00 C ATOM 1351 CG ARG A 88 -16.575 5.058 2.036 1.00 0.00 C ATOM 1352 CD ARG A 88 -15.972 5.369 3.396 1.00 0.00 C ATOM 1353 NE ARG A 88 -15.880 4.180 4.240 1.00 0.00 N ATOM 1354 CZ ARG A 88 -15.588 4.219 5.535 1.00 0.00 C ATOM 1355 NH1 ARG A 88 -15.358 5.380 6.132 1.00 0.00 N ATOM 1356 NH2 ARG A 88 -15.523 3.094 6.235 1.00 0.00 N ATOM 0 H ARG A 88 -17.265 2.713 1.321 1.00 0.00 H new ATOM 0 HA ARG A 88 -19.799 4.147 1.104 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -18.497 5.996 2.089 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -18.383 4.538 3.055 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -16.179 4.111 1.669 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -16.279 5.826 1.321 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -14.978 5.796 3.263 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -16.579 6.123 3.897 1.00 0.00 H new ATOM 0 HE ARG A 88 -16.049 3.270 3.811 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -15.405 6.247 5.597 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -15.134 5.406 7.127 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -15.697 2.199 5.779 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -15.299 3.124 7.230 1.00 0.00 H new ATOM 1370 N SER A 89 -19.347 4.718 -1.317 1.00 0.00 N ATOM 1371 CA SER A 89 -19.182 5.311 -2.640 1.00 0.00 C ATOM 1372 C SER A 89 -20.532 5.481 -3.330 1.00 0.00 C ATOM 1373 O SER A 89 -21.550 4.971 -2.863 1.00 0.00 O ATOM 1374 CB SER A 89 -18.262 4.444 -3.501 1.00 0.00 C ATOM 1375 OG SER A 89 -18.018 5.051 -4.757 1.00 0.00 O ATOM 0 H SER A 89 -20.217 4.201 -1.192 1.00 0.00 H new ATOM 0 HA SER A 89 -18.729 6.295 -2.516 1.00 0.00 H new ATOM 0 HB2 SER A 89 -17.317 4.284 -2.981 1.00 0.00 H new ATOM 0 HB3 SER A 89 -18.715 3.464 -3.649 1.00 0.00 H new ATOM 0 HG SER A 89 -17.426 4.478 -5.288 1.00 0.00 H new ATOM 1381 N GLY A 90 -20.532 6.203 -4.446 1.00 0.00 N ATOM 1382 CA GLY A 90 -21.762 6.430 -5.184 1.00 0.00 C ATOM 1383 C GLY A 90 -22.511 7.655 -4.701 1.00 0.00 C ATOM 1384 O GLY A 90 -22.069 8.362 -3.795 1.00 0.00 O ATOM 0 H GLY A 90 -19.702 6.635 -4.853 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -21.531 6.544 -6.243 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -22.405 5.555 -5.090 1.00 0.00 H new ATOM 1388 N PRO A 91 -23.672 7.924 -5.315 1.00 0.00 N ATOM 1389 CA PRO A 91 -24.508 9.075 -4.960 1.00 0.00 C ATOM 1390 C PRO A 91 -25.157 8.918 -3.589 1.00 0.00 C ATOM 1391 O PRO A 91 -25.641 9.889 -3.007 1.00 0.00 O ATOM 1392 CB PRO A 91 -25.575 9.090 -6.058 1.00 0.00 C ATOM 1393 CG PRO A 91 -25.651 7.680 -6.533 1.00 0.00 C ATOM 1394 CD PRO A 91 -24.259 7.125 -6.404 1.00 0.00 C ATOM 0 HA PRO A 91 -23.929 9.996 -4.897 1.00 0.00 H new ATOM 0 HB2 PRO A 91 -26.536 9.430 -5.671 1.00 0.00 H new ATOM 0 HB3 PRO A 91 -25.300 9.766 -6.868 1.00 0.00 H new ATOM 0 HG2 PRO A 91 -26.358 7.104 -5.935 1.00 0.00 H new ATOM 0 HG3 PRO A 91 -25.995 7.634 -7.566 1.00 0.00 H new ATOM 0 HD2 PRO A 91 -24.271 6.062 -6.161 1.00 0.00 H new ATOM 0 HD3 PRO A 91 -23.696 7.234 -7.331 1.00 0.00 H new ATOM 1402 N SER A 92 -25.163 7.691 -3.078 1.00 0.00 N ATOM 1403 CA SER A 92 -25.756 7.408 -1.777 1.00 0.00 C ATOM 1404 C SER A 92 -25.054 8.198 -0.677 1.00 0.00 C ATOM 1405 O SER A 92 -23.837 8.386 -0.711 1.00 0.00 O ATOM 1406 CB SER A 92 -25.678 5.911 -1.473 1.00 0.00 C ATOM 1407 OG SER A 92 -26.129 5.142 -2.575 1.00 0.00 O ATOM 0 H SER A 92 -24.764 6.877 -3.545 1.00 0.00 H new ATOM 0 HA SER A 92 -26.802 7.712 -1.808 1.00 0.00 H new ATOM 0 HB2 SER A 92 -24.650 5.639 -1.232 1.00 0.00 H new ATOM 0 HB3 SER A 92 -26.282 5.683 -0.595 1.00 0.00 H new ATOM 0 HG SER A 92 -26.067 4.189 -2.356 1.00 0.00 H new ATOM 1413 N SER A 93 -25.829 8.659 0.300 1.00 0.00 N ATOM 1414 CA SER A 93 -25.284 9.433 1.409 1.00 0.00 C ATOM 1415 C SER A 93 -24.736 8.512 2.495 1.00 0.00 C ATOM 1416 O SER A 93 -25.359 7.512 2.848 1.00 0.00 O ATOM 1417 CB SER A 93 -26.358 10.350 1.995 1.00 0.00 C ATOM 1418 OG SER A 93 -27.468 9.603 2.462 1.00 0.00 O ATOM 0 H SER A 93 -26.837 8.510 0.346 1.00 0.00 H new ATOM 0 HA SER A 93 -24.466 10.043 1.027 1.00 0.00 H new ATOM 0 HB2 SER A 93 -25.936 10.931 2.815 1.00 0.00 H new ATOM 0 HB3 SER A 93 -26.687 11.061 1.237 1.00 0.00 H new ATOM 0 HG SER A 93 -28.140 10.212 2.833 1.00 0.00 H new ATOM 1424 N GLY A 94 -23.567 8.861 3.023 1.00 0.00 N ATOM 1425 CA GLY A 94 -22.953 8.057 4.064 1.00 0.00 C ATOM 1426 C GLY A 94 -22.186 6.875 3.507 1.00 0.00 C ATOM 1427 O GLY A 94 -22.437 6.435 2.385 1.00 0.00 O ATOM 0 H GLY A 94 -23.034 9.686 2.749 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -22.278 8.681 4.650 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -23.725 7.697 4.744 1.00 0.00 H new TER 1431 GLY A 94