USER MOD reduce.3.24.130724 H: found=0, std=0, add=785, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 784 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 NoAdj-H: A 39 HIS HD1 : A 39 HIS ND1 : A 106 CUCU :(H bumps) USER MOD NoAdj-H: A 92 HIS HD1 : A 92 HIS ND1 : A 106 CUCU :(H bumps) USER MOD Set 1.1: A 86 THR OG1 : rot 39:sc= 0.862 USER MOD Set 1.2: A 100 LYS NZ :NH3+ -156:sc= -0.304 (180deg=-2.09!) USER MOD Set 2.1: A 28 THR OG1 : rot 4:sc= -0.117 USER MOD Set 2.2: A 75 THR OG1 : rot -55:sc= 1.03 USER MOD Set 3.1: A 61 HIS : no HE2:sc= -6.22! C(o=-6.3!,f=-7.8!) USER MOD Set 3.2: A 72 THR OG1 : rot 40:sc= -0.129 USER MOD Set 4.1: A 57 LYS NZ :NH3+ 166:sc= 0.53 (180deg=-0.784!) USER MOD Set 4.2: A 58 SER OG : rot 127:sc= -0.281 USER MOD Set 5.1: A 34 ASN : amide:sc= -0.498! C(o=-0.67!,f=-21!) USER MOD Set 5.2: A 35 LYS NZ :NH3+ -139:sc= -0.17! (180deg=-4.82!) USER MOD Set 6.1: A 20 LYS NZ :NH3+ -105:sc= 1.21 (180deg=-0.349) USER MOD Set 6.2: A 22 THR OG1 : rot -113:sc= 2.06 USER MOD Set 6.3: A 102 THR OG1 : rot 124:sc= 1.33 USER MOD Set 7.1: A 4 THR OG1 : rot 180:sc= 1.03 USER MOD Set 7.2: A 6 LYS NZ :NH3+ -143:sc= 0.193! (180deg=-0.0108) USER MOD Single : A 1 GLU N :NH3+ -127:sc= -5.72! (180deg=-12.1!) USER MOD Single : A 2 THR OG1 : rot 51:sc= 0.776 USER MOD Single : A 3 TYR OH : rot 140:sc= 0.332 USER MOD Single : A 9 SER OG : rot -130:sc= 0.648 USER MOD Single : A 11 LYS NZ :NH3+ 143:sc= 1.04 (180deg=-0.245) USER MOD Single : A 24 LYS NZ :NH3+ -112:sc= -1.39 (180deg=-6.67!) USER MOD Single : A 33 ASN :FLIP amide:sc= -3.03! F(o=-3.5,f=-3!) USER MOD Single : A 40 ASN : amide:sc= -7.59! C(o=-7.6!,f=-11!) USER MOD Single : A 48 ASN : amide:sc= -5.49! C(o=-5.5!,f=-14!) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 SER OG : rot 4:sc= 0.306 USER MOD Single : A 60 SER OG : rot 124:sc= -1.26 USER MOD Single : A 62 LYS NZ :NH3+ -148:sc= 1.43 (180deg=-0.579) USER MOD Single : A 63 GLN : amide:sc= -3.41 K(o=-3.4,f=-5.4!) USER MOD Single : A 66 MET CE :methyl -111:sc= -0.314 (180deg=-2.88!) USER MOD Single : A 67 SER OG : rot 180:sc= -0.684 USER MOD Single : A 70 GLN : amide:sc= -0.152 X(o=-0.15,f=-0.15) USER MOD Single : A 71 SER OG : rot 136:sc= 0.624 USER MOD Single : A 73 SER OG : rot -95:sc= 0.727 USER MOD Single : A 74 THR OG1 : rot -95:sc= 0.965 USER MOD Single : A 85 TYR OH : rot 115:sc= 0.602 USER MOD Single : A 88 TYR OH : rot 152:sc= 0.588 USER MOD Single : A 97 MET CE :methyl 179:sc= -3.9 (180deg=-3.92) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 -4.973 -6.735 -13.605 1.00 0.00 N ATOM 2 CA GLU A 1 -5.729 -5.725 -14.385 1.00 0.00 C ATOM 3 C GLU A 1 -5.006 -4.355 -14.429 1.00 0.00 C ATOM 4 O GLU A 1 -5.003 -3.640 -13.450 1.00 0.00 O ATOM 5 CB GLU A 1 -7.117 -5.592 -13.757 1.00 0.00 C ATOM 6 CG GLU A 1 -7.779 -7.006 -13.564 1.00 0.00 C ATOM 7 CD GLU A 1 -7.547 -7.520 -12.178 1.00 0.00 C ATOM 8 OE1 GLU A 1 -8.295 -7.127 -11.320 1.00 0.00 O ATOM 9 OE2 GLU A 1 -6.624 -8.286 -12.013 1.00 0.00 O ATOM 0 H1 GLU A 1 -4.840 -7.590 -14.182 1.00 0.00 H new ATOM 0 H2 GLU A 1 -4.045 -6.347 -13.342 1.00 0.00 H new ATOM 0 H3 GLU A 1 -5.504 -6.977 -12.744 1.00 0.00 H new ATOM 0 HA GLU A 1 -5.807 -6.056 -15.421 1.00 0.00 H new ATOM 0 HB2 GLU A 1 -7.039 -5.087 -12.794 1.00 0.00 H new ATOM 0 HB3 GLU A 1 -7.751 -4.972 -14.391 1.00 0.00 H new ATOM 0 HG2 GLU A 1 -8.850 -6.940 -13.757 1.00 0.00 H new ATOM 0 HG3 GLU A 1 -7.367 -7.707 -14.290 1.00 0.00 H new ATOM 18 N THR A 2 -4.377 -4.026 -15.518 1.00 0.00 N ATOM 19 CA THR A 2 -3.648 -2.716 -15.708 1.00 0.00 C ATOM 20 C THR A 2 -4.519 -1.489 -15.347 1.00 0.00 C ATOM 21 O THR A 2 -5.192 -0.827 -16.108 1.00 0.00 O ATOM 22 CB THR A 2 -3.153 -2.679 -17.186 1.00 0.00 C ATOM 23 OG1 THR A 2 -2.404 -1.480 -17.318 1.00 0.00 O ATOM 24 CG2 THR A 2 -4.192 -2.457 -18.244 1.00 0.00 C ATOM 0 H THR A 2 -4.329 -4.636 -16.334 1.00 0.00 H new ATOM 0 HA THR A 2 -2.802 -2.658 -15.023 1.00 0.00 H new ATOM 0 HB THR A 2 -2.671 -3.645 -17.335 1.00 0.00 H new ATOM 0 HG1 THR A 2 -1.743 -1.426 -16.597 1.00 0.00 H new ATOM 0 HG21 THR A 2 -3.717 -2.453 -19.225 1.00 0.00 H new ATOM 0 HG22 THR A 2 -4.931 -3.257 -18.202 1.00 0.00 H new ATOM 0 HG23 THR A 2 -4.684 -1.499 -18.075 1.00 0.00 H new ATOM 32 N TYR A 3 -4.468 -1.236 -14.078 1.00 0.00 N ATOM 33 CA TYR A 3 -5.225 -0.092 -13.450 1.00 0.00 C ATOM 34 C TYR A 3 -4.218 0.997 -13.014 1.00 0.00 C ATOM 35 O TYR A 3 -3.129 0.663 -12.610 1.00 0.00 O ATOM 36 CB TYR A 3 -5.989 -0.544 -12.165 1.00 0.00 C ATOM 37 CG TYR A 3 -7.034 -1.666 -12.294 1.00 0.00 C ATOM 38 CD1 TYR A 3 -7.883 -1.793 -13.375 1.00 0.00 C ATOM 39 CD2 TYR A 3 -7.148 -2.574 -11.255 1.00 0.00 C ATOM 40 CE1 TYR A 3 -8.827 -2.813 -13.403 1.00 0.00 C ATOM 41 CE2 TYR A 3 -8.092 -3.584 -11.295 1.00 0.00 C ATOM 42 CZ TYR A 3 -8.931 -3.707 -12.365 1.00 0.00 C ATOM 43 OH TYR A 3 -9.851 -4.727 -12.393 1.00 0.00 O ATOM 0 H TYR A 3 -3.919 -1.784 -13.416 1.00 0.00 H new ATOM 0 HA TYR A 3 -5.937 0.276 -14.189 1.00 0.00 H new ATOM 0 HB2 TYR A 3 -5.248 -0.863 -11.432 1.00 0.00 H new ATOM 0 HB3 TYR A 3 -6.490 0.331 -11.751 1.00 0.00 H new ATOM 0 HD1 TYR A 3 -7.814 -1.099 -14.200 1.00 0.00 H new ATOM 0 HD2 TYR A 3 -6.491 -2.492 -10.402 1.00 0.00 H new ATOM 0 HE1 TYR A 3 -9.488 -2.904 -14.252 1.00 0.00 H new ATOM 0 HE2 TYR A 3 -8.166 -4.281 -10.473 1.00 0.00 H new ATOM 0 HH TYR A 3 -9.446 -5.543 -12.033 1.00 0.00 H new ATOM 53 N THR A 4 -4.564 2.251 -13.081 1.00 0.00 N ATOM 54 CA THR A 4 -3.625 3.347 -12.665 1.00 0.00 C ATOM 55 C THR A 4 -4.090 4.070 -11.385 1.00 0.00 C ATOM 56 O THR A 4 -5.015 4.873 -11.415 1.00 0.00 O ATOM 57 CB THR A 4 -3.514 4.354 -13.821 1.00 0.00 C ATOM 58 OG1 THR A 4 -4.841 4.706 -14.209 1.00 0.00 O ATOM 59 CG2 THR A 4 -2.976 3.718 -15.089 1.00 0.00 C ATOM 0 H THR A 4 -5.473 2.576 -13.411 1.00 0.00 H new ATOM 0 HA THR A 4 -2.657 2.900 -12.440 1.00 0.00 H new ATOM 0 HB THR A 4 -2.878 5.167 -13.472 1.00 0.00 H new ATOM 0 HG1 THR A 4 -4.806 5.351 -14.946 1.00 0.00 H new ATOM 0 HG21 THR A 4 -2.916 4.470 -15.876 1.00 0.00 H new ATOM 0 HG22 THR A 4 -1.983 3.312 -14.899 1.00 0.00 H new ATOM 0 HG23 THR A 4 -3.642 2.915 -15.404 1.00 0.00 H new ATOM 67 N VAL A 5 -3.458 3.796 -10.274 1.00 0.00 N ATOM 68 CA VAL A 5 -3.876 4.479 -8.996 1.00 0.00 C ATOM 69 C VAL A 5 -3.117 5.813 -8.990 1.00 0.00 C ATOM 70 O VAL A 5 -1.916 5.889 -9.155 1.00 0.00 O ATOM 71 CB VAL A 5 -3.507 3.591 -7.731 1.00 0.00 C ATOM 72 CG1 VAL A 5 -2.063 3.119 -7.700 1.00 0.00 C ATOM 73 CG2 VAL A 5 -3.659 4.433 -6.447 1.00 0.00 C ATOM 0 H VAL A 5 -2.681 3.141 -10.187 1.00 0.00 H new ATOM 0 HA VAL A 5 -4.954 4.632 -8.945 1.00 0.00 H new ATOM 0 HB VAL A 5 -4.177 2.733 -7.792 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -1.895 2.520 -6.805 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -1.858 2.515 -8.584 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -1.398 3.983 -7.689 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -3.406 3.823 -5.580 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -2.990 5.292 -6.494 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -4.689 4.779 -6.359 1.00 0.00 H new ATOM 83 N LYS A 6 -3.881 6.842 -8.793 1.00 0.00 N ATOM 84 CA LYS A 6 -3.366 8.251 -8.762 1.00 0.00 C ATOM 85 C LYS A 6 -3.261 8.676 -7.285 1.00 0.00 C ATOM 86 O LYS A 6 -3.982 9.506 -6.760 1.00 0.00 O ATOM 87 CB LYS A 6 -4.396 9.041 -9.625 1.00 0.00 C ATOM 88 CG LYS A 6 -4.478 8.365 -11.043 1.00 0.00 C ATOM 89 CD LYS A 6 -5.775 8.824 -11.760 1.00 0.00 C ATOM 90 CE LYS A 6 -6.026 8.054 -13.067 1.00 0.00 C ATOM 91 NZ LYS A 6 -6.227 6.612 -12.716 1.00 0.00 N ATOM 0 H LYS A 6 -4.888 6.770 -8.645 1.00 0.00 H new ATOM 0 HA LYS A 6 -2.370 8.417 -9.171 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -5.375 9.037 -9.146 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -4.092 10.083 -9.719 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -3.606 8.636 -11.638 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -4.470 7.280 -10.941 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -6.625 8.686 -11.091 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -5.709 9.890 -11.977 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -6.903 8.448 -13.580 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -5.181 8.168 -13.746 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -5.794 6.013 -13.448 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -5.781 6.413 -11.798 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -7.245 6.407 -12.658 1.00 0.00 H new ATOM 105 N LEU A 7 -2.310 8.051 -6.660 1.00 0.00 N ATOM 106 CA LEU A 7 -2.048 8.306 -5.215 1.00 0.00 C ATOM 107 C LEU A 7 -1.544 9.728 -4.871 1.00 0.00 C ATOM 108 O LEU A 7 -0.932 10.419 -5.667 1.00 0.00 O ATOM 109 CB LEU A 7 -1.041 7.191 -4.780 1.00 0.00 C ATOM 110 CG LEU A 7 0.349 7.384 -5.435 1.00 0.00 C ATOM 111 CD1 LEU A 7 1.267 8.216 -4.540 1.00 0.00 C ATOM 112 CD2 LEU A 7 0.999 6.028 -5.688 1.00 0.00 C ATOM 0 H LEU A 7 -1.692 7.364 -7.092 1.00 0.00 H new ATOM 0 HA LEU A 7 -2.986 8.265 -4.661 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -0.936 7.199 -3.695 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -1.440 6.214 -5.054 1.00 0.00 H new ATOM 0 HG LEU A 7 0.204 7.910 -6.379 1.00 0.00 H new ATOM 0 HD11 LEU A 7 2.236 8.336 -5.024 1.00 0.00 H new ATOM 0 HD12 LEU A 7 0.821 9.196 -4.373 1.00 0.00 H new ATOM 0 HD13 LEU A 7 1.399 7.710 -3.584 1.00 0.00 H new ATOM 0 HD21 LEU A 7 1.976 6.173 -6.149 1.00 0.00 H new ATOM 0 HD22 LEU A 7 1.119 5.500 -4.742 1.00 0.00 H new ATOM 0 HD23 LEU A 7 0.367 5.440 -6.354 1.00 0.00 H new ATOM 124 N GLY A 8 -1.831 10.134 -3.664 1.00 0.00 N ATOM 125 CA GLY A 8 -1.391 11.511 -3.189 1.00 0.00 C ATOM 126 C GLY A 8 -2.436 12.579 -2.867 1.00 0.00 C ATOM 127 O GLY A 8 -2.258 13.303 -1.914 1.00 0.00 O ATOM 0 H GLY A 8 -2.348 9.586 -2.977 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -0.788 11.367 -2.293 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -0.732 11.922 -3.954 1.00 0.00 H new ATOM 131 N SER A 9 -3.476 12.656 -3.649 1.00 0.00 N ATOM 132 CA SER A 9 -4.615 13.647 -3.507 1.00 0.00 C ATOM 133 C SER A 9 -5.011 14.344 -4.815 1.00 0.00 C ATOM 134 O SER A 9 -4.246 14.487 -5.748 1.00 0.00 O ATOM 135 CB SER A 9 -4.292 14.820 -2.525 1.00 0.00 C ATOM 136 OG SER A 9 -5.438 15.677 -2.589 1.00 0.00 O ATOM 0 H SER A 9 -3.601 12.029 -4.444 1.00 0.00 H new ATOM 0 HA SER A 9 -5.421 13.012 -3.140 1.00 0.00 H new ATOM 0 HB2 SER A 9 -4.128 14.454 -1.512 1.00 0.00 H new ATOM 0 HB3 SER A 9 -3.386 15.348 -2.824 1.00 0.00 H new ATOM 0 HG SER A 9 -5.148 16.601 -2.739 1.00 0.00 H new ATOM 142 N ASP A 10 -6.240 14.753 -4.772 1.00 0.00 N ATOM 143 CA ASP A 10 -6.921 15.476 -5.869 1.00 0.00 C ATOM 144 C ASP A 10 -7.476 16.758 -5.199 1.00 0.00 C ATOM 145 O ASP A 10 -7.014 17.854 -5.446 1.00 0.00 O ATOM 146 CB ASP A 10 -7.988 14.482 -6.417 1.00 0.00 C ATOM 147 CG ASP A 10 -7.786 14.433 -7.901 1.00 0.00 C ATOM 148 OD1 ASP A 10 -8.103 15.421 -8.526 1.00 0.00 O ATOM 149 OD2 ASP A 10 -7.295 13.424 -8.357 1.00 0.00 O ATOM 0 H ASP A 10 -6.839 14.602 -3.960 1.00 0.00 H new ATOM 0 HA ASP A 10 -6.317 15.786 -6.721 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -7.864 13.494 -5.974 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -8.996 14.817 -6.172 1.00 0.00 H new ATOM 154 N LYS A 11 -8.442 16.575 -4.340 1.00 0.00 N ATOM 155 CA LYS A 11 -9.053 17.745 -3.623 1.00 0.00 C ATOM 156 C LYS A 11 -8.688 17.792 -2.097 1.00 0.00 C ATOM 157 O LYS A 11 -9.435 18.327 -1.294 1.00 0.00 O ATOM 158 CB LYS A 11 -10.588 17.645 -3.846 1.00 0.00 C ATOM 159 CG LYS A 11 -11.246 19.033 -3.542 1.00 0.00 C ATOM 160 CD LYS A 11 -12.649 18.845 -2.883 1.00 0.00 C ATOM 161 CE LYS A 11 -12.521 18.283 -1.464 1.00 0.00 C ATOM 162 NZ LYS A 11 -11.777 19.306 -0.664 1.00 0.00 N ATOM 0 H LYS A 11 -8.839 15.667 -4.100 1.00 0.00 H new ATOM 0 HA LYS A 11 -8.654 18.676 -4.025 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -10.799 17.346 -4.873 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -11.012 16.879 -3.197 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -10.601 19.609 -2.879 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -11.346 19.604 -4.465 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -13.171 19.801 -2.853 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -13.253 18.171 -3.491 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -13.504 18.093 -1.032 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -11.987 17.333 -1.470 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -12.163 19.340 0.301 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -10.770 19.051 -0.625 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -11.881 20.239 -1.111 1.00 0.00 H new ATOM 176 N GLY A 12 -7.562 17.232 -1.726 1.00 0.00 N ATOM 177 CA GLY A 12 -7.086 17.221 -0.277 1.00 0.00 C ATOM 178 C GLY A 12 -6.901 15.909 0.514 1.00 0.00 C ATOM 179 O GLY A 12 -7.300 15.886 1.658 1.00 0.00 O ATOM 0 H GLY A 12 -6.926 16.766 -2.374 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -6.126 17.737 -0.258 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -7.789 17.833 0.289 1.00 0.00 H new ATOM 183 N LEU A 13 -6.333 14.862 -0.031 1.00 0.00 N ATOM 184 CA LEU A 13 -6.171 13.601 0.802 1.00 0.00 C ATOM 185 C LEU A 13 -5.129 12.634 0.195 1.00 0.00 C ATOM 186 O LEU A 13 -5.086 12.493 -1.008 1.00 0.00 O ATOM 187 CB LEU A 13 -7.586 12.934 0.916 1.00 0.00 C ATOM 188 CG LEU A 13 -7.618 11.833 2.013 1.00 0.00 C ATOM 189 CD1 LEU A 13 -9.079 11.616 2.398 1.00 0.00 C ATOM 190 CD2 LEU A 13 -7.158 10.480 1.459 1.00 0.00 C ATOM 0 H LEU A 13 -5.980 14.811 -0.987 1.00 0.00 H new ATOM 0 HA LEU A 13 -5.790 13.853 1.791 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -8.330 13.697 1.145 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -7.861 12.498 -0.045 1.00 0.00 H new ATOM 0 HG LEU A 13 -6.976 12.152 2.834 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -9.142 10.847 3.168 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -9.497 12.548 2.780 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -9.643 11.298 1.521 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -7.192 9.732 2.251 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -7.817 10.177 0.645 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -6.137 10.567 1.086 1.00 0.00 H new ATOM 202 N LEU A 14 -4.324 11.976 0.982 1.00 0.00 N ATOM 203 CA LEU A 14 -3.298 11.029 0.403 1.00 0.00 C ATOM 204 C LEU A 14 -3.914 9.679 -0.084 1.00 0.00 C ATOM 205 O LEU A 14 -3.548 8.604 0.351 1.00 0.00 O ATOM 206 CB LEU A 14 -2.215 10.798 1.506 1.00 0.00 C ATOM 207 CG LEU A 14 -1.368 12.061 1.766 1.00 0.00 C ATOM 208 CD1 LEU A 14 -0.495 11.788 2.987 1.00 0.00 C ATOM 209 CD2 LEU A 14 -0.385 12.274 0.611 1.00 0.00 C ATOM 0 H LEU A 14 -4.323 12.045 2.000 1.00 0.00 H new ATOM 0 HA LEU A 14 -2.860 11.473 -0.491 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -2.702 10.492 2.432 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -1.561 9.980 1.205 1.00 0.00 H new ATOM 0 HG LEU A 14 -2.031 12.917 1.888 1.00 0.00 H new ATOM 0 HD11 LEU A 14 0.118 12.664 3.199 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -1.129 11.573 3.847 1.00 0.00 H new ATOM 0 HD13 LEU A 14 0.150 10.932 2.789 1.00 0.00 H new ATOM 0 HD21 LEU A 14 0.210 13.167 0.800 1.00 0.00 H new ATOM 0 HD22 LEU A 14 0.274 11.409 0.530 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -0.939 12.397 -0.320 1.00 0.00 H new ATOM 221 N VAL A 15 -4.839 9.807 -0.996 1.00 0.00 N ATOM 222 CA VAL A 15 -5.576 8.645 -1.615 1.00 0.00 C ATOM 223 C VAL A 15 -4.623 7.568 -2.180 1.00 0.00 C ATOM 224 O VAL A 15 -3.518 7.892 -2.582 1.00 0.00 O ATOM 225 CB VAL A 15 -6.486 9.248 -2.733 1.00 0.00 C ATOM 226 CG1 VAL A 15 -7.240 8.156 -3.505 1.00 0.00 C ATOM 227 CG2 VAL A 15 -7.564 10.129 -2.091 1.00 0.00 C ATOM 0 H VAL A 15 -5.134 10.713 -1.360 1.00 0.00 H new ATOM 0 HA VAL A 15 -6.166 8.127 -0.858 1.00 0.00 H new ATOM 0 HB VAL A 15 -5.834 9.805 -3.406 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -7.861 8.617 -4.273 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -6.524 7.481 -3.974 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -7.871 7.594 -2.817 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -8.200 10.551 -2.869 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -8.170 9.527 -1.414 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -7.089 10.936 -1.533 1.00 0.00 H new ATOM 237 N PHE A 16 -5.086 6.349 -2.187 1.00 0.00 N ATOM 238 CA PHE A 16 -4.295 5.177 -2.707 1.00 0.00 C ATOM 239 C PHE A 16 -5.165 4.122 -3.450 1.00 0.00 C ATOM 240 O PHE A 16 -4.779 2.993 -3.684 1.00 0.00 O ATOM 241 CB PHE A 16 -3.594 4.588 -1.479 1.00 0.00 C ATOM 242 CG PHE A 16 -2.149 4.287 -1.840 1.00 0.00 C ATOM 243 CD1 PHE A 16 -1.228 5.305 -1.830 1.00 0.00 C ATOM 244 CD2 PHE A 16 -1.754 3.021 -2.170 1.00 0.00 C ATOM 245 CE1 PHE A 16 0.088 5.062 -2.146 1.00 0.00 C ATOM 246 CE2 PHE A 16 -0.441 2.767 -2.487 1.00 0.00 C ATOM 247 CZ PHE A 16 0.483 3.788 -2.473 1.00 0.00 C ATOM 0 H PHE A 16 -6.013 6.100 -1.843 1.00 0.00 H new ATOM 0 HA PHE A 16 -3.584 5.500 -3.467 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -3.637 5.290 -0.646 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -4.100 3.678 -1.155 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -1.540 6.306 -1.572 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -2.476 2.218 -2.182 1.00 0.00 H new ATOM 0 HE1 PHE A 16 0.807 5.868 -2.137 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -0.133 1.765 -2.748 1.00 0.00 H new ATOM 0 HZ PHE A 16 1.515 3.587 -2.718 1.00 0.00 H new ATOM 257 N GLU A 17 -6.321 4.582 -3.795 1.00 0.00 N ATOM 258 CA GLU A 17 -7.368 3.790 -4.515 1.00 0.00 C ATOM 259 C GLU A 17 -7.093 3.101 -5.878 1.00 0.00 C ATOM 260 O GLU A 17 -6.639 3.711 -6.832 1.00 0.00 O ATOM 261 CB GLU A 17 -8.581 4.762 -4.582 1.00 0.00 C ATOM 262 CG GLU A 17 -9.326 4.715 -3.184 1.00 0.00 C ATOM 263 CD GLU A 17 -8.368 4.566 -2.009 1.00 0.00 C ATOM 264 OE1 GLU A 17 -7.761 5.558 -1.656 1.00 0.00 O ATOM 265 OE2 GLU A 17 -8.306 3.435 -1.568 1.00 0.00 O ATOM 0 H GLU A 17 -6.610 5.540 -3.597 1.00 0.00 H new ATOM 0 HA GLU A 17 -7.494 2.870 -3.944 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -8.245 5.776 -4.801 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -9.259 4.471 -5.385 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -9.910 5.627 -3.058 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -10.030 3.883 -3.181 1.00 0.00 H new ATOM 272 N PRO A 18 -7.394 1.818 -5.948 1.00 0.00 N ATOM 273 CA PRO A 18 -8.056 0.976 -4.875 1.00 0.00 C ATOM 274 C PRO A 18 -7.136 0.333 -3.761 1.00 0.00 C ATOM 275 O PRO A 18 -6.644 -0.763 -3.960 1.00 0.00 O ATOM 276 CB PRO A 18 -8.805 -0.040 -5.742 1.00 0.00 C ATOM 277 CG PRO A 18 -7.742 -0.350 -6.837 1.00 0.00 C ATOM 278 CD PRO A 18 -7.117 1.027 -7.179 1.00 0.00 C ATOM 0 HA PRO A 18 -8.675 1.578 -4.209 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -9.088 -0.930 -5.180 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -9.720 0.375 -6.164 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -6.988 -1.047 -6.471 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -8.199 -0.807 -7.715 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -6.049 0.950 -7.380 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -7.576 1.474 -8.061 1.00 0.00 H new ATOM 286 N ALA A 19 -6.920 0.992 -2.642 1.00 0.00 N ATOM 287 CA ALA A 19 -6.057 0.465 -1.511 1.00 0.00 C ATOM 288 C ALA A 19 -5.871 -1.091 -1.404 1.00 0.00 C ATOM 289 O ALA A 19 -4.801 -1.621 -1.167 1.00 0.00 O ATOM 290 CB ALA A 19 -6.679 1.063 -0.228 1.00 0.00 C ATOM 0 H ALA A 19 -7.320 1.911 -2.453 1.00 0.00 H new ATOM 0 HA ALA A 19 -5.028 0.774 -1.695 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -6.112 0.730 0.641 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -6.652 2.151 -0.283 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -7.713 0.730 -0.136 1.00 0.00 H new ATOM 296 N LYS A 20 -6.957 -1.789 -1.580 1.00 0.00 N ATOM 297 CA LYS A 20 -6.976 -3.295 -1.522 1.00 0.00 C ATOM 298 C LYS A 20 -7.172 -3.829 -2.972 1.00 0.00 C ATOM 299 O LYS A 20 -8.227 -4.324 -3.338 1.00 0.00 O ATOM 300 CB LYS A 20 -8.145 -3.732 -0.606 1.00 0.00 C ATOM 301 CG LYS A 20 -8.107 -5.286 -0.462 1.00 0.00 C ATOM 302 CD LYS A 20 -9.550 -5.798 -0.148 1.00 0.00 C ATOM 303 CE LYS A 20 -9.990 -6.833 -1.187 1.00 0.00 C ATOM 304 NZ LYS A 20 -9.071 -8.001 -1.052 1.00 0.00 N ATOM 0 H LYS A 20 -7.868 -1.371 -1.769 1.00 0.00 H new ATOM 0 HA LYS A 20 -6.046 -3.695 -1.118 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -8.057 -3.259 0.372 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -9.098 -3.414 -1.030 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -7.737 -5.741 -1.380 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -7.422 -5.575 0.335 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -9.577 -6.240 0.848 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -10.247 -4.960 -0.144 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -11.024 -7.134 -1.018 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -9.939 -6.416 -2.193 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -8.395 -8.004 -1.842 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -8.553 -7.933 -0.153 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -9.624 -8.882 -1.067 1.00 0.00 H new ATOM 318 N LEU A 21 -6.142 -3.738 -3.761 1.00 0.00 N ATOM 319 CA LEU A 21 -6.235 -4.209 -5.175 1.00 0.00 C ATOM 320 C LEU A 21 -5.925 -5.708 -5.406 1.00 0.00 C ATOM 321 O LEU A 21 -4.810 -6.160 -5.576 1.00 0.00 O ATOM 322 CB LEU A 21 -5.299 -3.249 -5.947 1.00 0.00 C ATOM 323 CG LEU A 21 -5.351 -3.382 -7.501 1.00 0.00 C ATOM 324 CD1 LEU A 21 -4.105 -4.131 -7.927 1.00 0.00 C ATOM 325 CD2 LEU A 21 -6.567 -4.210 -8.015 1.00 0.00 C ATOM 0 H LEU A 21 -5.235 -3.357 -3.491 1.00 0.00 H new ATOM 0 HA LEU A 21 -7.265 -4.171 -5.530 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -5.552 -2.224 -5.677 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -4.275 -3.422 -5.617 1.00 0.00 H new ATOM 0 HG LEU A 21 -5.432 -2.376 -7.913 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -4.102 -4.246 -9.011 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -3.221 -3.572 -7.619 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -4.094 -5.115 -7.458 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -6.539 -4.261 -9.103 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -6.521 -5.218 -7.603 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -7.493 -3.731 -7.698 1.00 0.00 H new ATOM 337 N THR A 22 -6.987 -6.460 -5.407 1.00 0.00 N ATOM 338 CA THR A 22 -6.890 -7.953 -5.618 1.00 0.00 C ATOM 339 C THR A 22 -6.908 -8.337 -7.113 1.00 0.00 C ATOM 340 O THR A 22 -7.879 -8.785 -7.702 1.00 0.00 O ATOM 341 CB THR A 22 -8.071 -8.647 -4.908 1.00 0.00 C ATOM 342 OG1 THR A 22 -7.914 -8.356 -3.525 1.00 0.00 O ATOM 343 CG2 THR A 22 -7.931 -10.154 -4.867 1.00 0.00 C ATOM 0 H THR A 22 -7.936 -6.111 -5.270 1.00 0.00 H new ATOM 0 HA THR A 22 -5.938 -8.281 -5.201 1.00 0.00 H new ATOM 0 HB THR A 22 -8.981 -8.327 -5.415 1.00 0.00 H new ATOM 0 HG1 THR A 22 -7.708 -9.181 -3.038 1.00 0.00 H new ATOM 0 HG21 THR A 22 -8.791 -10.586 -4.356 1.00 0.00 H new ATOM 0 HG22 THR A 22 -7.881 -10.543 -5.884 1.00 0.00 H new ATOM 0 HG23 THR A 22 -7.020 -10.420 -4.332 1.00 0.00 H new ATOM 351 N ILE A 23 -5.779 -8.134 -7.718 1.00 0.00 N ATOM 352 CA ILE A 23 -5.588 -8.444 -9.178 1.00 0.00 C ATOM 353 C ILE A 23 -5.250 -9.899 -9.469 1.00 0.00 C ATOM 354 O ILE A 23 -5.224 -10.742 -8.596 1.00 0.00 O ATOM 355 CB ILE A 23 -4.428 -7.644 -9.790 1.00 0.00 C ATOM 356 CG1 ILE A 23 -3.247 -7.708 -8.786 1.00 0.00 C ATOM 357 CG2 ILE A 23 -4.920 -6.257 -10.065 1.00 0.00 C ATOM 358 CD1 ILE A 23 -1.887 -7.640 -9.517 1.00 0.00 C ATOM 0 H ILE A 23 -4.950 -7.756 -7.259 1.00 0.00 H new ATOM 0 HA ILE A 23 -6.554 -8.183 -9.611 1.00 0.00 H new ATOM 0 HB ILE A 23 -4.073 -8.045 -10.739 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -3.324 -6.883 -8.078 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -3.307 -8.631 -8.209 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -4.115 -5.665 -10.501 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -5.757 -6.299 -10.761 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -5.246 -5.795 -9.133 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -1.079 -7.687 -8.787 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -1.802 -8.480 -10.207 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -1.819 -6.705 -10.073 1.00 0.00 H new ATOM 370 N LYS A 24 -5.030 -10.165 -10.722 1.00 0.00 N ATOM 371 CA LYS A 24 -4.663 -11.534 -11.147 1.00 0.00 C ATOM 372 C LYS A 24 -3.123 -11.528 -11.524 1.00 0.00 C ATOM 373 O LYS A 24 -2.512 -10.473 -11.596 1.00 0.00 O ATOM 374 CB LYS A 24 -5.603 -11.918 -12.369 1.00 0.00 C ATOM 375 CG LYS A 24 -7.088 -11.432 -12.220 1.00 0.00 C ATOM 376 CD LYS A 24 -7.634 -11.744 -10.796 1.00 0.00 C ATOM 377 CE LYS A 24 -8.893 -10.949 -10.423 1.00 0.00 C ATOM 378 NZ LYS A 24 -8.485 -9.522 -10.353 1.00 0.00 N ATOM 0 H LYS A 24 -5.090 -9.482 -11.477 1.00 0.00 H new ATOM 0 HA LYS A 24 -4.806 -12.280 -10.366 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -5.184 -11.494 -13.282 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -5.598 -13.001 -12.490 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -7.145 -10.360 -12.409 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -7.712 -11.921 -12.968 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -7.856 -12.809 -10.728 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -6.854 -11.534 -10.065 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -9.677 -11.092 -11.167 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -9.295 -11.285 -9.467 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -8.535 -9.194 -9.367 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -7.510 -9.422 -10.702 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -9.123 -8.949 -10.941 1.00 0.00 H new ATOM 392 N PRO A 25 -2.530 -12.676 -11.756 1.00 0.00 N ATOM 393 CA PRO A 25 -1.052 -12.879 -11.569 1.00 0.00 C ATOM 394 C PRO A 25 -0.069 -12.320 -12.644 1.00 0.00 C ATOM 395 O PRO A 25 0.444 -13.048 -13.470 1.00 0.00 O ATOM 396 CB PRO A 25 -0.975 -14.400 -11.389 1.00 0.00 C ATOM 397 CG PRO A 25 -2.001 -14.870 -12.443 1.00 0.00 C ATOM 398 CD PRO A 25 -3.199 -13.928 -12.220 1.00 0.00 C ATOM 0 HA PRO A 25 -0.689 -12.281 -10.734 1.00 0.00 H new ATOM 0 HB2 PRO A 25 0.025 -14.789 -11.584 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -1.247 -14.711 -10.380 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -1.605 -14.784 -13.455 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -2.278 -15.914 -12.296 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -3.769 -13.770 -13.135 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -3.892 -14.320 -11.476 1.00 0.00 H new ATOM 406 N GLY A 26 0.166 -11.030 -12.623 1.00 0.00 N ATOM 407 CA GLY A 26 1.128 -10.423 -13.643 1.00 0.00 C ATOM 408 C GLY A 26 0.564 -9.423 -14.638 1.00 0.00 C ATOM 409 O GLY A 26 0.983 -9.341 -15.774 1.00 0.00 O ATOM 0 H GLY A 26 -0.249 -10.370 -11.965 1.00 0.00 H new ATOM 0 HA2 GLY A 26 1.933 -9.933 -13.095 1.00 0.00 H new ATOM 0 HA3 GLY A 26 1.578 -11.240 -14.207 1.00 0.00 H new ATOM 413 N ASP A 27 -0.379 -8.663 -14.175 1.00 0.00 N ATOM 414 CA ASP A 27 -1.012 -7.639 -15.052 1.00 0.00 C ATOM 415 C ASP A 27 -0.442 -6.223 -14.726 1.00 0.00 C ATOM 416 O ASP A 27 -0.156 -5.902 -13.586 1.00 0.00 O ATOM 417 CB ASP A 27 -2.511 -7.830 -14.780 1.00 0.00 C ATOM 418 CG ASP A 27 -3.334 -7.058 -15.766 1.00 0.00 C ATOM 419 OD1 ASP A 27 -2.923 -6.009 -16.190 1.00 0.00 O ATOM 420 OD2 ASP A 27 -4.391 -7.576 -16.018 1.00 0.00 O ATOM 0 H ASP A 27 -0.744 -8.704 -13.223 1.00 0.00 H new ATOM 0 HA ASP A 27 -0.809 -7.743 -16.118 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -2.764 -8.889 -14.839 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -2.746 -7.502 -13.768 1.00 0.00 H new ATOM 425 N THR A 28 -0.316 -5.417 -15.741 1.00 0.00 N ATOM 426 CA THR A 28 0.236 -4.008 -15.639 1.00 0.00 C ATOM 427 C THR A 28 -0.372 -2.928 -14.732 1.00 0.00 C ATOM 428 O THR A 28 -0.730 -1.848 -15.161 1.00 0.00 O ATOM 429 CB THR A 28 0.291 -3.419 -17.033 1.00 0.00 C ATOM 430 OG1 THR A 28 0.930 -4.385 -17.854 1.00 0.00 O ATOM 431 CG2 THR A 28 1.354 -2.340 -17.161 1.00 0.00 C ATOM 0 H THR A 28 -0.583 -5.678 -16.690 1.00 0.00 H new ATOM 0 HA THR A 28 1.173 -4.219 -15.124 1.00 0.00 H new ATOM 0 HB THR A 28 -0.722 -3.092 -17.268 1.00 0.00 H new ATOM 0 HG1 THR A 28 1.115 -5.191 -17.328 1.00 0.00 H new ATOM 0 HG21 THR A 28 1.355 -1.949 -18.178 1.00 0.00 H new ATOM 0 HG22 THR A 28 1.139 -1.532 -16.462 1.00 0.00 H new ATOM 0 HG23 THR A 28 2.332 -2.764 -16.935 1.00 0.00 H new ATOM 439 N VAL A 29 -0.509 -3.209 -13.481 1.00 0.00 N ATOM 440 CA VAL A 29 -1.073 -2.193 -12.533 1.00 0.00 C ATOM 441 C VAL A 29 -0.012 -1.066 -12.314 1.00 0.00 C ATOM 442 O VAL A 29 1.167 -1.303 -12.124 1.00 0.00 O ATOM 443 CB VAL A 29 -1.397 -2.869 -11.190 1.00 0.00 C ATOM 444 CG1 VAL A 29 -2.188 -1.878 -10.316 1.00 0.00 C ATOM 445 CG2 VAL A 29 -2.275 -4.097 -11.410 1.00 0.00 C ATOM 0 H VAL A 29 -0.257 -4.102 -13.057 1.00 0.00 H new ATOM 0 HA VAL A 29 -1.986 -1.764 -12.945 1.00 0.00 H new ATOM 0 HB VAL A 29 -0.463 -3.165 -10.712 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -2.425 -2.345 -9.360 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -1.588 -0.984 -10.145 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -3.112 -1.602 -10.824 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -2.495 -4.564 -10.450 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -3.207 -3.797 -11.890 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -1.751 -4.809 -12.048 1.00 0.00 H new ATOM 455 N GLU A 30 -0.453 0.150 -12.357 1.00 0.00 N ATOM 456 CA GLU A 30 0.422 1.335 -12.171 1.00 0.00 C ATOM 457 C GLU A 30 0.151 2.233 -10.949 1.00 0.00 C ATOM 458 O GLU A 30 -0.980 2.489 -10.579 1.00 0.00 O ATOM 459 CB GLU A 30 0.306 2.124 -13.466 1.00 0.00 C ATOM 460 CG GLU A 30 1.056 3.483 -13.313 1.00 0.00 C ATOM 461 CD GLU A 30 1.052 4.235 -14.618 1.00 0.00 C ATOM 462 OE1 GLU A 30 0.066 4.911 -14.817 1.00 0.00 O ATOM 463 OE2 GLU A 30 2.048 4.061 -15.292 1.00 0.00 O ATOM 0 H GLU A 30 -1.432 0.384 -12.521 1.00 0.00 H new ATOM 0 HA GLU A 30 1.426 0.973 -11.952 1.00 0.00 H new ATOM 0 HB2 GLU A 30 0.730 1.553 -14.292 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -0.743 2.300 -13.705 1.00 0.00 H new ATOM 0 HG2 GLU A 30 0.579 4.084 -12.538 1.00 0.00 H new ATOM 0 HG3 GLU A 30 2.082 3.305 -12.992 1.00 0.00 H new ATOM 470 N PHE A 31 1.220 2.690 -10.360 1.00 0.00 N ATOM 471 CA PHE A 31 1.172 3.586 -9.154 1.00 0.00 C ATOM 472 C PHE A 31 1.686 5.015 -9.509 1.00 0.00 C ATOM 473 O PHE A 31 2.885 5.209 -9.592 1.00 0.00 O ATOM 474 CB PHE A 31 2.067 2.968 -8.028 1.00 0.00 C ATOM 475 CG PHE A 31 2.033 1.429 -7.950 1.00 0.00 C ATOM 476 CD1 PHE A 31 0.968 0.663 -8.382 1.00 0.00 C ATOM 477 CD2 PHE A 31 3.132 0.786 -7.422 1.00 0.00 C ATOM 478 CE1 PHE A 31 1.006 -0.711 -8.292 1.00 0.00 C ATOM 479 CE2 PHE A 31 3.175 -0.584 -7.328 1.00 0.00 C ATOM 480 CZ PHE A 31 2.111 -1.331 -7.763 1.00 0.00 C ATOM 0 H PHE A 31 2.166 2.474 -10.673 1.00 0.00 H new ATOM 0 HA PHE A 31 0.141 3.668 -8.811 1.00 0.00 H new ATOM 0 HB2 PHE A 31 3.097 3.288 -8.185 1.00 0.00 H new ATOM 0 HB3 PHE A 31 1.750 3.374 -7.067 1.00 0.00 H new ATOM 0 HD1 PHE A 31 0.095 1.147 -8.795 1.00 0.00 H new ATOM 0 HD2 PHE A 31 3.973 1.369 -7.077 1.00 0.00 H new ATOM 0 HE1 PHE A 31 0.168 -1.299 -8.637 1.00 0.00 H new ATOM 0 HE2 PHE A 31 4.045 -1.071 -6.913 1.00 0.00 H new ATOM 0 HZ PHE A 31 2.142 -2.408 -7.690 1.00 0.00 H new ATOM 490 N LEU A 32 0.829 5.974 -9.731 1.00 0.00 N ATOM 491 CA LEU A 32 1.300 7.350 -10.071 1.00 0.00 C ATOM 492 C LEU A 32 0.976 8.445 -9.029 1.00 0.00 C ATOM 493 O LEU A 32 -0.090 8.484 -8.441 1.00 0.00 O ATOM 494 CB LEU A 32 0.697 7.639 -11.484 1.00 0.00 C ATOM 495 CG LEU A 32 -0.786 8.019 -11.529 1.00 0.00 C ATOM 496 CD1 LEU A 32 -0.914 9.538 -11.332 1.00 0.00 C ATOM 497 CD2 LEU A 32 -1.271 7.698 -12.945 1.00 0.00 C ATOM 0 H LEU A 32 -0.184 5.864 -9.692 1.00 0.00 H new ATOM 0 HA LEU A 32 2.389 7.384 -10.068 1.00 0.00 H new ATOM 0 HB2 LEU A 32 1.270 8.446 -11.941 1.00 0.00 H new ATOM 0 HB3 LEU A 32 0.842 6.754 -12.104 1.00 0.00 H new ATOM 0 HG LEU A 32 -1.353 7.490 -10.763 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -1.966 9.821 -11.362 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -0.491 9.817 -10.367 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -0.376 10.055 -12.127 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -2.328 7.951 -13.034 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -0.697 8.279 -13.667 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -1.134 6.635 -13.144 1.00 0.00 H new ATOM 509 N ASN A 33 1.906 9.338 -8.828 1.00 0.00 N ATOM 510 CA ASN A 33 1.682 10.437 -7.826 1.00 0.00 C ATOM 511 C ASN A 33 0.816 11.591 -8.366 1.00 0.00 C ATOM 512 O ASN A 33 1.303 12.659 -8.680 1.00 0.00 O ATOM 513 CB ASN A 33 3.094 10.935 -7.358 1.00 0.00 C ATOM 514 CG ASN A 33 4.034 11.519 -8.392 1.00 0.00 C ATOM 515 OD1 ASN A 33 3.685 11.767 -9.595 1.00 0.00 O flip ATOM 516 ND2 ASN A 33 5.177 11.781 -8.098 1.00 0.00 N flip ATOM 0 H ASN A 33 2.807 9.361 -9.306 1.00 0.00 H new ATOM 0 HA ASN A 33 1.112 10.044 -6.985 1.00 0.00 H new ATOM 0 HB2 ASN A 33 2.940 11.689 -6.586 1.00 0.00 H new ATOM 0 HB3 ASN A 33 3.602 10.094 -6.885 1.00 0.00 H new ATOM 0 HD21 ASN A 33 5.513 11.605 -7.151 1.00 0.00 H new ATOM 0 HD22 ASN A 33 5.805 12.178 -8.797 1.00 0.00 H new ATOM 523 N ASN A 34 -0.455 11.301 -8.446 1.00 0.00 N ATOM 524 CA ASN A 34 -1.543 12.233 -8.940 1.00 0.00 C ATOM 525 C ASN A 34 -1.069 13.659 -9.392 1.00 0.00 C ATOM 526 O ASN A 34 -1.247 14.049 -10.527 1.00 0.00 O ATOM 527 CB ASN A 34 -2.572 12.287 -7.776 1.00 0.00 C ATOM 528 CG ASN A 34 -3.962 12.559 -8.294 1.00 0.00 C ATOM 529 OD1 ASN A 34 -4.189 13.399 -9.128 1.00 0.00 O ATOM 530 ND2 ASN A 34 -4.954 11.890 -7.844 1.00 0.00 N ATOM 0 H ASN A 34 -0.818 10.389 -8.170 1.00 0.00 H new ATOM 0 HA ASN A 34 -1.965 11.846 -9.867 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -2.561 11.342 -7.233 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -2.285 13.065 -7.068 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -5.895 12.076 -8.192 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -4.805 11.170 -7.137 1.00 0.00 H new ATOM 537 N LYS A 35 -0.481 14.364 -8.461 1.00 0.00 N ATOM 538 CA LYS A 35 0.064 15.766 -8.673 1.00 0.00 C ATOM 539 C LYS A 35 0.628 16.430 -7.387 1.00 0.00 C ATOM 540 O LYS A 35 0.799 17.626 -7.275 1.00 0.00 O ATOM 541 CB LYS A 35 -1.073 16.661 -9.292 1.00 0.00 C ATOM 542 CG LYS A 35 -2.376 16.606 -8.451 1.00 0.00 C ATOM 543 CD LYS A 35 -3.534 16.276 -9.439 1.00 0.00 C ATOM 544 CE LYS A 35 -4.816 16.005 -8.677 1.00 0.00 C ATOM 545 NZ LYS A 35 -5.730 15.310 -9.614 1.00 0.00 N ATOM 0 H LYS A 35 -0.344 14.018 -7.511 1.00 0.00 H new ATOM 0 HA LYS A 35 0.913 15.679 -9.352 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -0.727 17.693 -9.358 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -1.283 16.329 -10.309 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -2.303 15.846 -7.673 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -2.554 17.558 -7.951 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -3.681 17.108 -10.128 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -3.270 15.407 -10.041 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -4.621 15.390 -7.799 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -5.259 16.935 -8.323 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -6.695 15.681 -9.497 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -5.413 15.471 -10.591 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -5.724 14.290 -9.412 1.00 0.00 H new ATOM 559 N VAL A 36 0.914 15.577 -6.453 1.00 0.00 N ATOM 560 CA VAL A 36 1.470 15.962 -5.105 1.00 0.00 C ATOM 561 C VAL A 36 2.566 14.958 -4.623 1.00 0.00 C ATOM 562 O VAL A 36 2.245 13.803 -4.416 1.00 0.00 O ATOM 563 CB VAL A 36 0.282 16.021 -4.090 1.00 0.00 C ATOM 564 CG1 VAL A 36 -0.593 17.253 -4.383 1.00 0.00 C ATOM 565 CG2 VAL A 36 -0.643 14.812 -4.267 1.00 0.00 C ATOM 0 H VAL A 36 0.782 14.572 -6.564 1.00 0.00 H new ATOM 0 HA VAL A 36 1.954 16.936 -5.177 1.00 0.00 H new ATOM 0 HB VAL A 36 0.714 16.048 -3.090 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -1.419 17.290 -3.673 1.00 0.00 H new ATOM 0 HG12 VAL A 36 0.008 18.157 -4.287 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -0.988 17.186 -5.397 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -1.463 14.873 -3.551 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -1.046 14.807 -5.280 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -0.080 13.895 -4.096 1.00 0.00 H new ATOM 575 N PRO A 37 3.805 15.372 -4.464 1.00 0.00 N ATOM 576 CA PRO A 37 4.932 14.490 -4.004 1.00 0.00 C ATOM 577 C PRO A 37 5.389 14.556 -2.488 1.00 0.00 C ATOM 578 O PRO A 37 4.823 15.276 -1.688 1.00 0.00 O ATOM 579 CB PRO A 37 5.987 14.910 -4.994 1.00 0.00 C ATOM 580 CG PRO A 37 5.836 16.470 -4.959 1.00 0.00 C ATOM 581 CD PRO A 37 4.314 16.742 -4.756 1.00 0.00 C ATOM 0 HA PRO A 37 4.654 13.436 -3.996 1.00 0.00 H new ATOM 0 HB2 PRO A 37 6.984 14.587 -4.695 1.00 0.00 H new ATOM 0 HB3 PRO A 37 5.804 14.501 -5.988 1.00 0.00 H new ATOM 0 HG2 PRO A 37 6.423 16.902 -4.148 1.00 0.00 H new ATOM 0 HG3 PRO A 37 6.194 16.919 -5.886 1.00 0.00 H new ATOM 0 HD2 PRO A 37 4.127 17.433 -3.934 1.00 0.00 H new ATOM 0 HD3 PRO A 37 3.852 17.171 -5.645 1.00 0.00 H new ATOM 589 N PRO A 38 6.409 13.792 -2.134 1.00 0.00 N ATOM 590 CA PRO A 38 6.892 12.564 -2.828 1.00 0.00 C ATOM 591 C PRO A 38 6.565 11.184 -2.189 1.00 0.00 C ATOM 592 O PRO A 38 6.413 11.024 -0.992 1.00 0.00 O ATOM 593 CB PRO A 38 8.383 12.800 -2.926 1.00 0.00 C ATOM 594 CG PRO A 38 8.688 13.681 -1.628 1.00 0.00 C ATOM 595 CD PRO A 38 7.298 14.065 -0.990 1.00 0.00 C ATOM 0 HA PRO A 38 6.365 12.456 -3.776 1.00 0.00 H new ATOM 0 HB2 PRO A 38 8.942 11.864 -2.920 1.00 0.00 H new ATOM 0 HB3 PRO A 38 8.650 13.325 -3.843 1.00 0.00 H new ATOM 0 HG2 PRO A 38 9.296 13.122 -0.917 1.00 0.00 H new ATOM 0 HG3 PRO A 38 9.250 14.576 -1.894 1.00 0.00 H new ATOM 0 HD2 PRO A 38 7.056 13.456 -0.119 1.00 0.00 H new ATOM 0 HD3 PRO A 38 7.259 15.107 -0.671 1.00 0.00 H new ATOM 603 N HIS A 39 6.464 10.207 -3.047 1.00 0.00 N ATOM 604 CA HIS A 39 6.156 8.812 -2.588 1.00 0.00 C ATOM 605 C HIS A 39 7.165 7.656 -2.859 1.00 0.00 C ATOM 606 O HIS A 39 7.626 7.440 -3.963 1.00 0.00 O ATOM 607 CB HIS A 39 4.757 8.473 -3.195 1.00 0.00 C ATOM 608 CG HIS A 39 3.766 9.625 -2.919 1.00 0.00 C ATOM 609 ND1 HIS A 39 3.050 9.849 -1.811 1.00 0.00 N ATOM 610 CD2 HIS A 39 3.505 10.612 -3.838 1.00 0.00 C ATOM 611 CE1 HIS A 39 2.377 10.954 -2.081 1.00 0.00 C ATOM 612 NE2 HIS A 39 2.654 11.382 -3.260 1.00 0.00 N ATOM 0 H HIS A 39 6.582 10.310 -4.055 1.00 0.00 H new ATOM 0 HA HIS A 39 6.209 8.849 -1.500 1.00 0.00 H new ATOM 0 HB2 HIS A 39 4.848 8.310 -4.269 1.00 0.00 H new ATOM 0 HB3 HIS A 39 4.379 7.546 -2.763 1.00 0.00 H new ATOM 0 HD2 HIS A 39 3.923 10.718 -4.828 1.00 0.00 H new ATOM 0 HE1 HIS A 39 1.687 11.433 -1.402 1.00 0.00 H new ATOM 0 HE2 HIS A 39 2.253 12.220 -3.681 1.00 0.00 H new ATOM 620 N ASN A 40 7.471 6.962 -1.799 1.00 0.00 N ATOM 621 CA ASN A 40 8.401 5.787 -1.780 1.00 0.00 C ATOM 622 C ASN A 40 7.494 4.596 -1.407 1.00 0.00 C ATOM 623 O ASN A 40 7.260 4.397 -0.229 1.00 0.00 O ATOM 624 CB ASN A 40 9.481 6.065 -0.706 1.00 0.00 C ATOM 625 CG ASN A 40 10.384 4.856 -0.494 1.00 0.00 C ATOM 626 OD1 ASN A 40 11.049 4.385 -1.381 1.00 0.00 O ATOM 627 ND2 ASN A 40 10.482 4.280 0.645 1.00 0.00 N ATOM 0 H ASN A 40 7.087 7.177 -0.879 1.00 0.00 H new ATOM 0 HA ASN A 40 8.920 5.592 -2.718 1.00 0.00 H new ATOM 0 HB2 ASN A 40 10.084 6.922 -1.008 1.00 0.00 H new ATOM 0 HB3 ASN A 40 8.999 6.330 0.235 1.00 0.00 H new ATOM 0 HD21 ASN A 40 11.096 3.473 0.757 1.00 0.00 H new ATOM 0 HD22 ASN A 40 9.946 4.628 1.440 1.00 0.00 H new ATOM 634 N VAL A 41 6.984 3.842 -2.338 1.00 0.00 N ATOM 635 CA VAL A 41 6.109 2.711 -1.886 1.00 0.00 C ATOM 636 C VAL A 41 6.854 1.388 -1.873 1.00 0.00 C ATOM 637 O VAL A 41 7.325 0.875 -2.864 1.00 0.00 O ATOM 638 CB VAL A 41 4.857 2.642 -2.797 1.00 0.00 C ATOM 639 CG1 VAL A 41 4.267 4.037 -3.086 1.00 0.00 C ATOM 640 CG2 VAL A 41 5.059 1.890 -4.102 1.00 0.00 C ATOM 0 H VAL A 41 7.120 3.944 -3.344 1.00 0.00 H new ATOM 0 HA VAL A 41 5.798 2.900 -0.858 1.00 0.00 H new ATOM 0 HB VAL A 41 4.144 2.062 -2.211 1.00 0.00 H new ATOM 0 HG11 VAL A 41 3.392 3.936 -3.728 1.00 0.00 H new ATOM 0 HG12 VAL A 41 3.976 4.511 -2.148 1.00 0.00 H new ATOM 0 HG13 VAL A 41 5.015 4.652 -3.586 1.00 0.00 H new ATOM 0 HG21 VAL A 41 4.130 1.894 -4.672 1.00 0.00 H new ATOM 0 HG22 VAL A 41 5.844 2.374 -4.683 1.00 0.00 H new ATOM 0 HG23 VAL A 41 5.348 0.861 -3.888 1.00 0.00 H new ATOM 650 N VAL A 42 6.921 0.844 -0.703 1.00 0.00 N ATOM 651 CA VAL A 42 7.634 -0.447 -0.521 1.00 0.00 C ATOM 652 C VAL A 42 6.725 -1.648 -0.197 1.00 0.00 C ATOM 653 O VAL A 42 5.707 -1.548 0.459 1.00 0.00 O ATOM 654 CB VAL A 42 8.675 -0.194 0.599 1.00 0.00 C ATOM 655 CG1 VAL A 42 9.666 -1.352 0.689 1.00 0.00 C ATOM 656 CG2 VAL A 42 9.480 1.100 0.309 1.00 0.00 C ATOM 0 H VAL A 42 6.512 1.236 0.145 1.00 0.00 H new ATOM 0 HA VAL A 42 8.097 -0.741 -1.463 1.00 0.00 H new ATOM 0 HB VAL A 42 8.128 -0.097 1.537 1.00 0.00 H new ATOM 0 HG11 VAL A 42 10.387 -1.153 1.482 1.00 0.00 H new ATOM 0 HG12 VAL A 42 9.129 -2.274 0.910 1.00 0.00 H new ATOM 0 HG13 VAL A 42 10.190 -1.457 -0.261 1.00 0.00 H new ATOM 0 HG21 VAL A 42 10.206 1.263 1.105 1.00 0.00 H new ATOM 0 HG22 VAL A 42 10.001 0.999 -0.643 1.00 0.00 H new ATOM 0 HG23 VAL A 42 8.798 1.949 0.261 1.00 0.00 H new ATOM 666 N PHE A 43 7.168 -2.760 -0.709 1.00 0.00 N ATOM 667 CA PHE A 43 6.502 -4.087 -0.552 1.00 0.00 C ATOM 668 C PHE A 43 7.251 -4.701 0.647 1.00 0.00 C ATOM 669 O PHE A 43 8.359 -5.163 0.472 1.00 0.00 O ATOM 670 CB PHE A 43 6.733 -4.891 -1.826 1.00 0.00 C ATOM 671 CG PHE A 43 5.556 -5.090 -2.766 1.00 0.00 C ATOM 672 CD1 PHE A 43 4.242 -4.958 -2.394 1.00 0.00 C ATOM 673 CD2 PHE A 43 5.850 -5.422 -4.067 1.00 0.00 C ATOM 674 CE1 PHE A 43 3.242 -5.155 -3.315 1.00 0.00 C ATOM 675 CE2 PHE A 43 4.858 -5.620 -4.989 1.00 0.00 C ATOM 676 CZ PHE A 43 3.543 -5.485 -4.613 1.00 0.00 C ATOM 0 H PHE A 43 8.021 -2.805 -1.266 1.00 0.00 H new ATOM 0 HA PHE A 43 5.425 -4.050 -0.390 1.00 0.00 H new ATOM 0 HB2 PHE A 43 7.531 -4.405 -2.388 1.00 0.00 H new ATOM 0 HB3 PHE A 43 7.100 -5.876 -1.538 1.00 0.00 H new ATOM 0 HD1 PHE A 43 3.993 -4.699 -1.375 1.00 0.00 H new ATOM 0 HD2 PHE A 43 6.882 -5.529 -4.367 1.00 0.00 H new ATOM 0 HE1 PHE A 43 2.210 -5.049 -3.015 1.00 0.00 H new ATOM 0 HE2 PHE A 43 5.107 -5.881 -6.007 1.00 0.00 H new ATOM 0 HZ PHE A 43 2.753 -5.637 -5.333 1.00 0.00 H new ATOM 686 N ASP A 44 6.633 -4.650 1.782 1.00 0.00 N ATOM 687 CA ASP A 44 7.223 -5.194 3.054 1.00 0.00 C ATOM 688 C ASP A 44 8.221 -6.437 3.111 1.00 0.00 C ATOM 689 O ASP A 44 8.634 -7.061 2.150 1.00 0.00 O ATOM 690 CB ASP A 44 5.977 -5.429 3.972 1.00 0.00 C ATOM 691 CG ASP A 44 6.424 -5.178 5.389 1.00 0.00 C ATOM 692 OD1 ASP A 44 6.745 -4.032 5.629 1.00 0.00 O ATOM 693 OD2 ASP A 44 6.435 -6.152 6.111 1.00 0.00 O ATOM 0 H ASP A 44 5.706 -4.240 1.899 1.00 0.00 H new ATOM 0 HA ASP A 44 7.962 -4.448 3.348 1.00 0.00 H new ATOM 0 HB2 ASP A 44 5.164 -4.757 3.699 1.00 0.00 H new ATOM 0 HB3 ASP A 44 5.601 -6.446 3.860 1.00 0.00 H new ATOM 698 N ALA A 45 8.579 -6.745 4.327 1.00 0.00 N ATOM 699 CA ALA A 45 9.499 -7.857 4.678 1.00 0.00 C ATOM 700 C ALA A 45 8.747 -9.040 5.357 1.00 0.00 C ATOM 701 O ALA A 45 9.090 -10.195 5.172 1.00 0.00 O ATOM 702 CB ALA A 45 10.580 -7.240 5.590 1.00 0.00 C ATOM 0 H ALA A 45 8.244 -6.232 5.142 1.00 0.00 H new ATOM 0 HA ALA A 45 9.951 -8.295 3.788 1.00 0.00 H new ATOM 0 HB1 ALA A 45 11.291 -8.012 5.884 1.00 0.00 H new ATOM 0 HB2 ALA A 45 11.103 -6.450 5.051 1.00 0.00 H new ATOM 0 HB3 ALA A 45 10.110 -6.822 6.480 1.00 0.00 H new ATOM 708 N ALA A 46 7.748 -8.692 6.113 1.00 0.00 N ATOM 709 CA ALA A 46 6.895 -9.668 6.855 1.00 0.00 C ATOM 710 C ALA A 46 5.464 -9.765 6.244 1.00 0.00 C ATOM 711 O ALA A 46 4.910 -10.844 6.127 1.00 0.00 O ATOM 712 CB ALA A 46 6.891 -9.177 8.317 1.00 0.00 C ATOM 0 H ALA A 46 7.472 -7.720 6.255 1.00 0.00 H new ATOM 0 HA ALA A 46 7.285 -10.684 6.789 1.00 0.00 H new ATOM 0 HB1 ALA A 46 6.282 -9.847 8.924 1.00 0.00 H new ATOM 0 HB2 ALA A 46 7.911 -9.167 8.700 1.00 0.00 H new ATOM 0 HB3 ALA A 46 6.476 -8.170 8.361 1.00 0.00 H new ATOM 718 N LEU A 47 4.908 -8.647 5.868 1.00 0.00 N ATOM 719 CA LEU A 47 3.525 -8.596 5.263 1.00 0.00 C ATOM 720 C LEU A 47 3.583 -8.852 3.726 1.00 0.00 C ATOM 721 O LEU A 47 3.078 -8.108 2.906 1.00 0.00 O ATOM 722 CB LEU A 47 2.925 -7.186 5.578 1.00 0.00 C ATOM 723 CG LEU A 47 2.510 -6.973 7.052 1.00 0.00 C ATOM 724 CD1 LEU A 47 3.724 -6.998 7.979 1.00 0.00 C ATOM 725 CD2 LEU A 47 1.912 -5.568 7.156 1.00 0.00 C ATOM 0 H LEU A 47 5.359 -7.736 5.953 1.00 0.00 H new ATOM 0 HA LEU A 47 2.894 -9.376 5.689 1.00 0.00 H new ATOM 0 HB2 LEU A 47 3.658 -6.426 5.308 1.00 0.00 H new ATOM 0 HB3 LEU A 47 2.053 -7.027 4.943 1.00 0.00 H new ATOM 0 HG LEU A 47 1.815 -7.762 7.340 1.00 0.00 H new ATOM 0 HD11 LEU A 47 3.399 -6.845 9.008 1.00 0.00 H new ATOM 0 HD12 LEU A 47 4.225 -7.962 7.896 1.00 0.00 H new ATOM 0 HD13 LEU A 47 4.415 -6.204 7.695 1.00 0.00 H new ATOM 0 HD21 LEU A 47 1.606 -5.378 8.185 1.00 0.00 H new ATOM 0 HD22 LEU A 47 2.659 -4.832 6.858 1.00 0.00 H new ATOM 0 HD23 LEU A 47 1.045 -5.492 6.499 1.00 0.00 H new ATOM 737 N ASN A 48 4.229 -9.936 3.407 1.00 0.00 N ATOM 738 CA ASN A 48 4.429 -10.407 1.990 1.00 0.00 C ATOM 739 C ASN A 48 4.353 -11.954 1.802 1.00 0.00 C ATOM 740 O ASN A 48 5.277 -12.671 2.134 1.00 0.00 O ATOM 741 CB ASN A 48 5.804 -9.828 1.539 1.00 0.00 C ATOM 742 CG ASN A 48 6.773 -9.899 2.691 1.00 0.00 C ATOM 743 OD1 ASN A 48 6.783 -9.056 3.547 1.00 0.00 O ATOM 744 ND2 ASN A 48 7.606 -10.862 2.802 1.00 0.00 N ATOM 0 H ASN A 48 4.651 -10.552 4.101 1.00 0.00 H new ATOM 0 HA ASN A 48 3.609 -10.047 1.369 1.00 0.00 H new ATOM 0 HB2 ASN A 48 6.189 -10.392 0.689 1.00 0.00 H new ATOM 0 HB3 ASN A 48 5.687 -8.796 1.210 1.00 0.00 H new ATOM 0 HD21 ASN A 48 8.246 -10.894 3.596 1.00 0.00 H new ATOM 0 HD22 ASN A 48 7.631 -11.599 2.097 1.00 0.00 H new ATOM 751 N PRO A 49 3.266 -12.432 1.253 1.00 0.00 N ATOM 752 CA PRO A 49 2.273 -13.312 1.954 1.00 0.00 C ATOM 753 C PRO A 49 2.932 -14.409 2.818 1.00 0.00 C ATOM 754 O PRO A 49 2.789 -14.504 4.022 1.00 0.00 O ATOM 755 CB PRO A 49 1.412 -13.833 0.772 1.00 0.00 C ATOM 756 CG PRO A 49 2.298 -13.554 -0.486 1.00 0.00 C ATOM 757 CD PRO A 49 2.909 -12.198 -0.163 1.00 0.00 C ATOM 0 HA PRO A 49 1.674 -12.796 2.705 1.00 0.00 H new ATOM 0 HB2 PRO A 49 1.189 -14.895 0.877 1.00 0.00 H new ATOM 0 HB3 PRO A 49 0.457 -13.311 0.712 1.00 0.00 H new ATOM 0 HG2 PRO A 49 3.061 -14.321 -0.624 1.00 0.00 H new ATOM 0 HG3 PRO A 49 1.706 -13.525 -1.401 1.00 0.00 H new ATOM 0 HD2 PRO A 49 3.776 -11.969 -0.783 1.00 0.00 H new ATOM 0 HD3 PRO A 49 2.202 -11.378 -0.288 1.00 0.00 H new ATOM 765 N ALA A 50 3.675 -15.220 2.132 1.00 0.00 N ATOM 766 CA ALA A 50 4.404 -16.352 2.774 1.00 0.00 C ATOM 767 C ALA A 50 5.774 -15.781 3.218 1.00 0.00 C ATOM 768 O ALA A 50 6.821 -16.188 2.760 1.00 0.00 O ATOM 769 CB ALA A 50 4.500 -17.453 1.693 1.00 0.00 C ATOM 0 H ALA A 50 3.815 -15.148 1.124 1.00 0.00 H new ATOM 0 HA ALA A 50 3.927 -16.785 3.653 1.00 0.00 H new ATOM 0 HB1 ALA A 50 5.026 -18.317 2.099 1.00 0.00 H new ATOM 0 HB2 ALA A 50 3.497 -17.750 1.386 1.00 0.00 H new ATOM 0 HB3 ALA A 50 5.044 -17.069 0.830 1.00 0.00 H new ATOM 775 N LYS A 51 5.673 -14.831 4.115 1.00 0.00 N ATOM 776 CA LYS A 51 6.853 -14.100 4.714 1.00 0.00 C ATOM 777 C LYS A 51 8.111 -14.109 3.794 1.00 0.00 C ATOM 778 O LYS A 51 9.234 -14.382 4.169 1.00 0.00 O ATOM 779 CB LYS A 51 7.115 -14.776 6.085 1.00 0.00 C ATOM 780 CG LYS A 51 5.868 -14.566 6.978 1.00 0.00 C ATOM 781 CD LYS A 51 6.117 -15.252 8.345 1.00 0.00 C ATOM 782 CE LYS A 51 4.894 -15.055 9.227 1.00 0.00 C ATOM 783 NZ LYS A 51 5.184 -15.740 10.532 1.00 0.00 N ATOM 0 H LYS A 51 4.775 -14.512 4.479 1.00 0.00 H new ATOM 0 HA LYS A 51 6.629 -13.040 4.831 1.00 0.00 H new ATOM 0 HB2 LYS A 51 7.312 -15.840 5.952 1.00 0.00 H new ATOM 0 HB3 LYS A 51 7.997 -14.345 6.558 1.00 0.00 H new ATOM 0 HG2 LYS A 51 5.678 -13.502 7.118 1.00 0.00 H new ATOM 0 HG3 LYS A 51 4.984 -14.987 6.499 1.00 0.00 H new ATOM 0 HD2 LYS A 51 6.312 -16.315 8.203 1.00 0.00 H new ATOM 0 HD3 LYS A 51 6.999 -14.828 8.824 1.00 0.00 H new ATOM 0 HE2 LYS A 51 4.697 -13.994 9.383 1.00 0.00 H new ATOM 0 HE3 LYS A 51 4.006 -15.479 8.757 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 4.370 -15.630 11.170 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 5.357 -16.751 10.362 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 6.026 -15.313 10.969 1.00 0.00 H new ATOM 797 N SER A 52 7.842 -13.764 2.569 1.00 0.00 N ATOM 798 CA SER A 52 8.893 -13.709 1.491 1.00 0.00 C ATOM 799 C SER A 52 9.672 -12.390 1.553 1.00 0.00 C ATOM 800 O SER A 52 9.635 -11.572 0.649 1.00 0.00 O ATOM 801 CB SER A 52 8.195 -13.849 0.129 1.00 0.00 C ATOM 802 OG SER A 52 7.362 -15.001 0.252 1.00 0.00 O ATOM 0 H SER A 52 6.908 -13.507 2.250 1.00 0.00 H new ATOM 0 HA SER A 52 9.606 -14.521 1.635 1.00 0.00 H new ATOM 0 HB2 SER A 52 7.607 -12.961 -0.105 1.00 0.00 H new ATOM 0 HB3 SER A 52 8.921 -13.972 -0.675 1.00 0.00 H new ATOM 0 HG SER A 52 7.413 -15.345 1.168 1.00 0.00 H new ATOM 808 N ALA A 53 10.337 -12.233 2.661 1.00 0.00 N ATOM 809 CA ALA A 53 11.162 -11.016 2.923 1.00 0.00 C ATOM 810 C ALA A 53 12.074 -10.581 1.742 1.00 0.00 C ATOM 811 O ALA A 53 12.506 -11.381 0.938 1.00 0.00 O ATOM 812 CB ALA A 53 11.965 -11.337 4.203 1.00 0.00 C ATOM 0 H ALA A 53 10.345 -12.915 3.419 1.00 0.00 H new ATOM 0 HA ALA A 53 10.514 -10.148 3.048 1.00 0.00 H new ATOM 0 HB1 ALA A 53 12.597 -10.486 4.459 1.00 0.00 H new ATOM 0 HB2 ALA A 53 11.276 -11.538 5.024 1.00 0.00 H new ATOM 0 HB3 ALA A 53 12.589 -12.214 4.031 1.00 0.00 H new ATOM 818 N ASP A 54 12.304 -9.302 1.733 1.00 0.00 N ATOM 819 CA ASP A 54 13.133 -8.561 0.738 1.00 0.00 C ATOM 820 C ASP A 54 12.509 -8.611 -0.681 1.00 0.00 C ATOM 821 O ASP A 54 12.198 -7.572 -1.233 1.00 0.00 O ATOM 822 CB ASP A 54 14.556 -9.160 0.730 1.00 0.00 C ATOM 823 CG ASP A 54 15.349 -8.151 -0.031 1.00 0.00 C ATOM 824 OD1 ASP A 54 15.390 -8.246 -1.241 1.00 0.00 O ATOM 825 OD2 ASP A 54 15.873 -7.268 0.616 1.00 0.00 O ATOM 0 H ASP A 54 11.912 -8.684 2.444 1.00 0.00 H new ATOM 0 HA ASP A 54 13.175 -7.511 1.028 1.00 0.00 H new ATOM 0 HB2 ASP A 54 14.941 -9.295 1.741 1.00 0.00 H new ATOM 0 HB3 ASP A 54 14.579 -10.137 0.247 1.00 0.00 H new ATOM 830 N LEU A 55 12.355 -9.797 -1.214 1.00 0.00 N ATOM 831 CA LEU A 55 11.751 -10.027 -2.589 1.00 0.00 C ATOM 832 C LEU A 55 10.757 -8.906 -2.868 1.00 0.00 C ATOM 833 O LEU A 55 10.878 -8.118 -3.782 1.00 0.00 O ATOM 834 CB LEU A 55 11.062 -11.440 -2.578 1.00 0.00 C ATOM 835 CG LEU A 55 10.173 -11.795 -3.838 1.00 0.00 C ATOM 836 CD1 LEU A 55 8.806 -11.077 -3.834 1.00 0.00 C ATOM 837 CD2 LEU A 55 10.860 -11.347 -5.134 1.00 0.00 C ATOM 0 H LEU A 55 12.631 -10.658 -0.742 1.00 0.00 H new ATOM 0 HA LEU A 55 12.502 -10.014 -3.379 1.00 0.00 H new ATOM 0 HB2 LEU A 55 11.839 -12.199 -2.482 1.00 0.00 H new ATOM 0 HB3 LEU A 55 10.437 -11.509 -1.688 1.00 0.00 H new ATOM 0 HG LEU A 55 10.036 -12.875 -3.787 1.00 0.00 H new ATOM 0 HD11 LEU A 55 8.243 -11.361 -4.723 1.00 0.00 H new ATOM 0 HD12 LEU A 55 8.247 -11.364 -2.943 1.00 0.00 H new ATOM 0 HD13 LEU A 55 8.962 -9.998 -3.833 1.00 0.00 H new ATOM 0 HD21 LEU A 55 10.230 -11.602 -5.986 1.00 0.00 H new ATOM 0 HD22 LEU A 55 11.017 -10.269 -5.108 1.00 0.00 H new ATOM 0 HD23 LEU A 55 11.821 -11.852 -5.230 1.00 0.00 H new ATOM 849 N ALA A 56 9.782 -8.890 -2.007 1.00 0.00 N ATOM 850 CA ALA A 56 8.692 -7.882 -2.062 1.00 0.00 C ATOM 851 C ALA A 56 9.309 -6.444 -2.180 1.00 0.00 C ATOM 852 O ALA A 56 9.103 -5.730 -3.140 1.00 0.00 O ATOM 853 CB ALA A 56 7.891 -8.176 -0.769 1.00 0.00 C ATOM 0 H ALA A 56 9.694 -9.558 -1.241 1.00 0.00 H new ATOM 0 HA ALA A 56 8.030 -7.934 -2.926 1.00 0.00 H new ATOM 0 HB1 ALA A 56 7.050 -7.487 -0.697 1.00 0.00 H new ATOM 0 HB2 ALA A 56 7.519 -9.200 -0.796 1.00 0.00 H new ATOM 0 HB3 ALA A 56 8.540 -8.048 0.098 1.00 0.00 H new ATOM 859 N LYS A 57 10.058 -6.020 -1.212 1.00 0.00 N ATOM 860 CA LYS A 57 10.691 -4.650 -1.254 1.00 0.00 C ATOM 861 C LYS A 57 11.542 -4.390 -2.504 1.00 0.00 C ATOM 862 O LYS A 57 11.664 -3.283 -3.009 1.00 0.00 O ATOM 863 CB LYS A 57 11.481 -4.567 0.104 1.00 0.00 C ATOM 864 CG LYS A 57 12.625 -3.500 0.155 1.00 0.00 C ATOM 865 CD LYS A 57 14.045 -4.206 0.180 1.00 0.00 C ATOM 866 CE LYS A 57 14.375 -4.919 -1.127 1.00 0.00 C ATOM 867 NZ LYS A 57 15.769 -5.426 -1.053 1.00 0.00 N ATOM 0 H LYS A 57 10.271 -6.561 -0.374 1.00 0.00 H new ATOM 0 HA LYS A 57 9.951 -3.855 -1.343 1.00 0.00 H new ATOM 0 HB2 LYS A 57 10.772 -4.352 0.904 1.00 0.00 H new ATOM 0 HB3 LYS A 57 11.912 -5.546 0.314 1.00 0.00 H new ATOM 0 HG2 LYS A 57 12.555 -2.842 -0.711 1.00 0.00 H new ATOM 0 HG3 LYS A 57 12.508 -2.875 1.040 1.00 0.00 H new ATOM 0 HD2 LYS A 57 14.813 -3.460 0.385 1.00 0.00 H new ATOM 0 HD3 LYS A 57 14.073 -4.926 0.998 1.00 0.00 H new ATOM 0 HE2 LYS A 57 13.681 -5.743 -1.294 1.00 0.00 H new ATOM 0 HE3 LYS A 57 14.266 -4.235 -1.969 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 15.931 -6.108 -1.821 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 16.433 -4.631 -1.150 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 15.920 -5.894 -0.137 1.00 0.00 H new ATOM 881 N SER A 58 12.143 -5.428 -2.984 1.00 0.00 N ATOM 882 CA SER A 58 12.988 -5.303 -4.214 1.00 0.00 C ATOM 883 C SER A 58 11.969 -5.024 -5.329 1.00 0.00 C ATOM 884 O SER A 58 12.165 -4.110 -6.109 1.00 0.00 O ATOM 885 CB SER A 58 13.754 -6.624 -4.407 1.00 0.00 C ATOM 886 OG SER A 58 14.720 -6.502 -3.356 1.00 0.00 O ATOM 0 H SER A 58 12.093 -6.366 -2.585 1.00 0.00 H new ATOM 0 HA SER A 58 13.743 -4.517 -4.183 1.00 0.00 H new ATOM 0 HB2 SER A 58 13.115 -7.499 -4.287 1.00 0.00 H new ATOM 0 HB3 SER A 58 14.215 -6.699 -5.392 1.00 0.00 H new ATOM 0 HG SER A 58 14.687 -7.299 -2.787 1.00 0.00 H new ATOM 892 N LEU A 59 10.934 -5.820 -5.305 1.00 0.00 N ATOM 893 CA LEU A 59 9.780 -5.781 -6.256 1.00 0.00 C ATOM 894 C LEU A 59 8.931 -4.465 -6.233 1.00 0.00 C ATOM 895 O LEU A 59 8.636 -3.979 -7.308 1.00 0.00 O ATOM 896 CB LEU A 59 8.913 -7.039 -5.929 1.00 0.00 C ATOM 897 CG LEU A 59 7.713 -7.181 -6.884 1.00 0.00 C ATOM 898 CD1 LEU A 59 8.204 -7.476 -8.300 1.00 0.00 C ATOM 899 CD2 LEU A 59 6.880 -8.372 -6.421 1.00 0.00 C ATOM 0 H LEU A 59 10.837 -6.556 -4.605 1.00 0.00 H new ATOM 0 HA LEU A 59 10.166 -5.792 -7.275 1.00 0.00 H new ATOM 0 HB2 LEU A 59 9.534 -7.933 -5.992 1.00 0.00 H new ATOM 0 HB3 LEU A 59 8.553 -6.973 -4.902 1.00 0.00 H new ATOM 0 HG LEU A 59 7.133 -6.258 -6.880 1.00 0.00 H new ATOM 0 HD11 LEU A 59 7.349 -7.575 -8.968 1.00 0.00 H new ATOM 0 HD12 LEU A 59 8.840 -6.659 -8.642 1.00 0.00 H new ATOM 0 HD13 LEU A 59 8.775 -8.405 -8.301 1.00 0.00 H new ATOM 0 HD21 LEU A 59 6.022 -8.495 -7.082 1.00 0.00 H new ATOM 0 HD22 LEU A 59 7.490 -9.275 -6.447 1.00 0.00 H new ATOM 0 HD23 LEU A 59 6.532 -8.199 -5.403 1.00 0.00 H new ATOM 911 N SER A 60 8.530 -3.881 -5.111 1.00 0.00 N ATOM 912 CA SER A 60 7.714 -2.597 -5.292 1.00 0.00 C ATOM 913 C SER A 60 8.651 -1.434 -5.702 1.00 0.00 C ATOM 914 O SER A 60 9.813 -1.689 -5.950 1.00 0.00 O ATOM 915 CB SER A 60 7.020 -2.219 -3.998 1.00 0.00 C ATOM 916 OG SER A 60 6.261 -1.093 -4.414 1.00 0.00 O ATOM 0 H SER A 60 8.706 -4.194 -4.156 1.00 0.00 H new ATOM 0 HA SER A 60 6.968 -2.775 -6.067 1.00 0.00 H new ATOM 0 HB2 SER A 60 6.390 -3.023 -3.618 1.00 0.00 H new ATOM 0 HB3 SER A 60 7.728 -1.969 -3.208 1.00 0.00 H new ATOM 0 HG SER A 60 5.314 -1.244 -4.212 1.00 0.00 H new ATOM 922 N HIS A 61 8.248 -0.192 -5.783 1.00 0.00 N ATOM 923 CA HIS A 61 9.278 0.829 -6.200 1.00 0.00 C ATOM 924 C HIS A 61 9.990 1.493 -4.999 1.00 0.00 C ATOM 925 O HIS A 61 9.819 1.103 -3.867 1.00 0.00 O ATOM 926 CB HIS A 61 8.554 1.863 -7.140 1.00 0.00 C ATOM 927 CG HIS A 61 7.635 2.931 -6.549 1.00 0.00 C ATOM 928 ND1 HIS A 61 7.974 3.877 -5.745 1.00 0.00 N ATOM 929 CD2 HIS A 61 6.288 3.144 -6.750 1.00 0.00 C ATOM 930 CE1 HIS A 61 6.945 4.615 -5.468 1.00 0.00 C ATOM 931 NE2 HIS A 61 5.871 4.192 -6.075 1.00 0.00 N ATOM 0 H HIS A 61 7.308 0.155 -5.593 1.00 0.00 H new ATOM 0 HA HIS A 61 10.089 0.342 -6.742 1.00 0.00 H new ATOM 0 HB2 HIS A 61 9.328 2.381 -7.706 1.00 0.00 H new ATOM 0 HB3 HIS A 61 7.964 1.290 -7.856 1.00 0.00 H new ATOM 0 HD1 HIS A 61 8.915 4.024 -5.379 1.00 0.00 H new ATOM 0 HD2 HIS A 61 5.659 2.531 -7.379 1.00 0.00 H new ATOM 0 HE1 HIS A 61 6.974 5.475 -4.815 1.00 0.00 H new ATOM 939 N LYS A 62 10.806 2.466 -5.264 1.00 0.00 N ATOM 940 CA LYS A 62 11.558 3.182 -4.167 1.00 0.00 C ATOM 941 C LYS A 62 11.189 4.674 -4.137 1.00 0.00 C ATOM 942 O LYS A 62 10.202 5.050 -4.738 1.00 0.00 O ATOM 943 CB LYS A 62 13.055 2.991 -4.436 1.00 0.00 C ATOM 944 CG LYS A 62 13.690 1.713 -3.727 1.00 0.00 C ATOM 945 CD LYS A 62 12.953 0.309 -3.880 1.00 0.00 C ATOM 946 CE LYS A 62 12.936 -0.269 -5.297 1.00 0.00 C ATOM 947 NZ LYS A 62 12.391 -1.671 -5.229 1.00 0.00 N ATOM 0 H LYS A 62 10.997 2.812 -6.204 1.00 0.00 H new ATOM 0 HA LYS A 62 11.294 2.771 -3.192 1.00 0.00 H new ATOM 0 HB2 LYS A 62 13.212 2.911 -5.512 1.00 0.00 H new ATOM 0 HB3 LYS A 62 13.589 3.881 -4.102 1.00 0.00 H new ATOM 0 HG2 LYS A 62 14.706 1.596 -4.104 1.00 0.00 H new ATOM 0 HG3 LYS A 62 13.769 1.931 -2.662 1.00 0.00 H new ATOM 0 HD2 LYS A 62 13.435 -0.410 -3.218 1.00 0.00 H new ATOM 0 HD3 LYS A 62 11.924 0.418 -3.537 1.00 0.00 H new ATOM 0 HE2 LYS A 62 12.319 0.347 -5.951 1.00 0.00 H new ATOM 0 HE3 LYS A 62 13.941 -0.272 -5.718 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 12.836 -2.253 -5.967 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 12.598 -2.079 -4.295 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 11.362 -1.651 -5.378 1.00 0.00 H new ATOM 961 N GLN A 63 11.946 5.501 -3.473 1.00 0.00 N ATOM 962 CA GLN A 63 11.563 6.938 -3.457 1.00 0.00 C ATOM 963 C GLN A 63 11.771 7.721 -4.777 1.00 0.00 C ATOM 964 O GLN A 63 12.697 8.484 -4.959 1.00 0.00 O ATOM 965 CB GLN A 63 12.333 7.608 -2.267 1.00 0.00 C ATOM 966 CG GLN A 63 11.939 9.144 -2.183 1.00 0.00 C ATOM 967 CD GLN A 63 10.480 9.403 -2.554 1.00 0.00 C ATOM 968 OE1 GLN A 63 9.544 9.077 -1.867 1.00 0.00 O ATOM 969 NE2 GLN A 63 10.213 9.990 -3.662 1.00 0.00 N ATOM 0 H GLN A 63 12.789 5.254 -2.955 1.00 0.00 H new ATOM 0 HA GLN A 63 10.481 6.979 -3.330 1.00 0.00 H new ATOM 0 HB2 GLN A 63 12.087 7.106 -1.331 1.00 0.00 H new ATOM 0 HB3 GLN A 63 13.408 7.504 -2.411 1.00 0.00 H new ATOM 0 HG2 GLN A 63 12.121 9.506 -1.171 1.00 0.00 H new ATOM 0 HG3 GLN A 63 12.585 9.717 -2.848 1.00 0.00 H new ATOM 0 HE21 GLN A 63 10.970 10.285 -4.278 1.00 0.00 H new ATOM 0 HE22 GLN A 63 9.243 10.162 -3.927 1.00 0.00 H new ATOM 978 N LEU A 64 10.855 7.486 -5.669 1.00 0.00 N ATOM 979 CA LEU A 64 10.885 8.150 -7.012 1.00 0.00 C ATOM 980 C LEU A 64 9.642 9.014 -7.368 1.00 0.00 C ATOM 981 O LEU A 64 9.732 9.864 -8.237 1.00 0.00 O ATOM 982 CB LEU A 64 11.098 7.011 -8.012 1.00 0.00 C ATOM 983 CG LEU A 64 9.765 6.296 -8.266 1.00 0.00 C ATOM 984 CD1 LEU A 64 9.229 6.785 -9.612 1.00 0.00 C ATOM 985 CD2 LEU A 64 9.993 4.823 -8.329 1.00 0.00 C ATOM 0 H LEU A 64 10.069 6.851 -5.528 1.00 0.00 H new ATOM 0 HA LEU A 64 11.684 8.892 -7.028 1.00 0.00 H new ATOM 0 HB2 LEU A 64 11.496 7.404 -8.948 1.00 0.00 H new ATOM 0 HB3 LEU A 64 11.833 6.306 -7.624 1.00 0.00 H new ATOM 0 HG LEU A 64 9.056 6.509 -7.466 1.00 0.00 H new ATOM 0 HD11 LEU A 64 8.279 6.295 -9.825 1.00 0.00 H new ATOM 0 HD12 LEU A 64 9.080 7.864 -9.574 1.00 0.00 H new ATOM 0 HD13 LEU A 64 9.945 6.545 -10.398 1.00 0.00 H new ATOM 0 HD21 LEU A 64 9.045 4.316 -8.509 1.00 0.00 H new ATOM 0 HD22 LEU A 64 10.686 4.596 -9.139 1.00 0.00 H new ATOM 0 HD23 LEU A 64 10.414 4.479 -7.384 1.00 0.00 H new ATOM 997 N LEU A 65 8.514 8.833 -6.717 1.00 0.00 N ATOM 998 CA LEU A 65 7.331 9.682 -7.094 1.00 0.00 C ATOM 999 C LEU A 65 7.558 11.086 -6.506 1.00 0.00 C ATOM 1000 O LEU A 65 7.038 11.409 -5.464 1.00 0.00 O ATOM 1001 CB LEU A 65 6.068 8.959 -6.524 1.00 0.00 C ATOM 1002 CG LEU A 65 5.365 8.105 -7.609 1.00 0.00 C ATOM 1003 CD1 LEU A 65 6.312 7.049 -8.132 1.00 0.00 C ATOM 1004 CD2 LEU A 65 4.201 7.353 -6.984 1.00 0.00 C ATOM 0 H LEU A 65 8.361 8.159 -5.967 1.00 0.00 H new ATOM 0 HA LEU A 65 7.195 9.806 -8.168 1.00 0.00 H new ATOM 0 HB2 LEU A 65 6.358 8.321 -5.689 1.00 0.00 H new ATOM 0 HB3 LEU A 65 5.370 9.699 -6.132 1.00 0.00 H new ATOM 0 HG LEU A 65 5.038 8.773 -8.406 1.00 0.00 H new ATOM 0 HD11 LEU A 65 5.809 6.454 -8.894 1.00 0.00 H new ATOM 0 HD12 LEU A 65 7.188 7.529 -8.567 1.00 0.00 H new ATOM 0 HD13 LEU A 65 6.623 6.401 -7.312 1.00 0.00 H new ATOM 0 HD21 LEU A 65 3.705 6.752 -7.746 1.00 0.00 H new ATOM 0 HD22 LEU A 65 4.572 6.702 -6.192 1.00 0.00 H new ATOM 0 HD23 LEU A 65 3.490 8.066 -6.565 1.00 0.00 H new ATOM 1016 N MET A 66 8.356 11.858 -7.190 1.00 0.00 N ATOM 1017 CA MET A 66 8.698 13.263 -6.762 1.00 0.00 C ATOM 1018 C MET A 66 8.118 14.423 -7.603 1.00 0.00 C ATOM 1019 O MET A 66 7.953 15.518 -7.107 1.00 0.00 O ATOM 1020 CB MET A 66 10.249 13.347 -6.724 1.00 0.00 C ATOM 1021 CG MET A 66 10.816 12.317 -5.727 1.00 0.00 C ATOM 1022 SD MET A 66 12.604 12.359 -5.461 1.00 0.00 S ATOM 1023 CE MET A 66 13.117 11.251 -6.798 1.00 0.00 C ATOM 0 H MET A 66 8.805 11.571 -8.060 1.00 0.00 H new ATOM 0 HA MET A 66 8.221 13.416 -5.794 1.00 0.00 H new ATOM 0 HB2 MET A 66 10.655 13.162 -7.719 1.00 0.00 H new ATOM 0 HB3 MET A 66 10.559 14.351 -6.435 1.00 0.00 H new ATOM 0 HG2 MET A 66 10.324 12.464 -4.766 1.00 0.00 H new ATOM 0 HG3 MET A 66 10.545 11.320 -6.074 1.00 0.00 H new ATOM 0 HE1 MET A 66 13.501 10.323 -6.374 1.00 0.00 H new ATOM 0 HE2 MET A 66 12.262 11.031 -7.437 1.00 0.00 H new ATOM 0 HE3 MET A 66 13.897 11.731 -7.389 1.00 0.00 H new ATOM 1033 N SER A 67 7.825 14.174 -8.845 1.00 0.00 N ATOM 1034 CA SER A 67 7.254 15.267 -9.719 1.00 0.00 C ATOM 1035 C SER A 67 5.782 14.979 -10.078 1.00 0.00 C ATOM 1036 O SER A 67 5.450 13.855 -10.410 1.00 0.00 O ATOM 1037 CB SER A 67 8.084 15.364 -11.001 1.00 0.00 C ATOM 1038 OG SER A 67 7.473 16.442 -11.706 1.00 0.00 O ATOM 0 H SER A 67 7.950 13.271 -9.303 1.00 0.00 H new ATOM 0 HA SER A 67 7.292 16.209 -9.171 1.00 0.00 H new ATOM 0 HB2 SER A 67 9.133 15.567 -10.787 1.00 0.00 H new ATOM 0 HB3 SER A 67 8.049 14.437 -11.574 1.00 0.00 H new ATOM 0 HG SER A 67 7.942 16.586 -12.554 1.00 0.00 H new ATOM 1044 N PRO A 68 4.918 15.967 -10.017 1.00 0.00 N ATOM 1045 CA PRO A 68 3.451 15.730 -10.161 1.00 0.00 C ATOM 1046 C PRO A 68 3.053 14.812 -11.354 1.00 0.00 C ATOM 1047 O PRO A 68 3.489 14.983 -12.479 1.00 0.00 O ATOM 1048 CB PRO A 68 2.880 17.179 -10.231 1.00 0.00 C ATOM 1049 CG PRO A 68 4.108 18.020 -10.675 1.00 0.00 C ATOM 1050 CD PRO A 68 5.237 17.412 -9.844 1.00 0.00 C ATOM 0 HA PRO A 68 3.034 15.154 -9.335 1.00 0.00 H new ATOM 0 HB2 PRO A 68 2.060 17.255 -10.945 1.00 0.00 H new ATOM 0 HB3 PRO A 68 2.494 17.507 -9.266 1.00 0.00 H new ATOM 0 HG2 PRO A 68 4.297 17.930 -11.745 1.00 0.00 H new ATOM 0 HG3 PRO A 68 3.973 19.081 -10.463 1.00 0.00 H new ATOM 0 HD2 PRO A 68 6.225 17.672 -10.225 1.00 0.00 H new ATOM 0 HD3 PRO A 68 5.205 17.726 -8.801 1.00 0.00 H new ATOM 1058 N GLY A 69 2.244 13.825 -11.080 1.00 0.00 N ATOM 1059 CA GLY A 69 1.797 12.892 -12.180 1.00 0.00 C ATOM 1060 C GLY A 69 2.627 11.627 -12.340 1.00 0.00 C ATOM 1061 O GLY A 69 2.081 10.548 -12.351 1.00 0.00 O ATOM 0 H GLY A 69 1.870 13.617 -10.154 1.00 0.00 H new ATOM 0 HA2 GLY A 69 0.762 12.606 -11.992 1.00 0.00 H new ATOM 0 HA3 GLY A 69 1.811 13.437 -13.124 1.00 0.00 H new ATOM 1065 N GLN A 70 3.915 11.801 -12.461 1.00 0.00 N ATOM 1066 CA GLN A 70 4.881 10.644 -12.634 1.00 0.00 C ATOM 1067 C GLN A 70 4.423 9.260 -12.069 1.00 0.00 C ATOM 1068 O GLN A 70 4.027 9.123 -10.920 1.00 0.00 O ATOM 1069 CB GLN A 70 6.230 11.098 -12.008 1.00 0.00 C ATOM 1070 CG GLN A 70 6.735 12.423 -12.715 1.00 0.00 C ATOM 1071 CD GLN A 70 6.611 12.413 -14.230 1.00 0.00 C ATOM 1072 OE1 GLN A 70 7.284 11.709 -14.938 1.00 0.00 O ATOM 1073 NE2 GLN A 70 5.755 13.183 -14.797 1.00 0.00 N ATOM 0 H GLN A 70 4.363 12.717 -12.448 1.00 0.00 H new ATOM 0 HA GLN A 70 4.957 10.438 -13.702 1.00 0.00 H new ATOM 0 HB2 GLN A 70 6.105 11.271 -10.939 1.00 0.00 H new ATOM 0 HB3 GLN A 70 6.975 10.310 -12.118 1.00 0.00 H new ATOM 0 HG2 GLN A 70 6.170 13.268 -12.322 1.00 0.00 H new ATOM 0 HG3 GLN A 70 7.779 12.587 -12.449 1.00 0.00 H new ATOM 0 HE21 GLN A 70 5.166 13.794 -14.232 1.00 0.00 H new ATOM 0 HE22 GLN A 70 5.664 13.183 -15.813 1.00 0.00 H new ATOM 1082 N SER A 71 4.494 8.275 -12.923 1.00 0.00 N ATOM 1083 CA SER A 71 4.084 6.874 -12.559 1.00 0.00 C ATOM 1084 C SER A 71 5.063 5.674 -12.548 1.00 0.00 C ATOM 1085 O SER A 71 6.116 5.639 -13.150 1.00 0.00 O ATOM 1086 CB SER A 71 2.931 6.527 -13.490 1.00 0.00 C ATOM 1087 OG SER A 71 3.565 6.426 -14.761 1.00 0.00 O ATOM 0 H SER A 71 4.826 8.379 -13.882 1.00 0.00 H new ATOM 0 HA SER A 71 3.898 6.964 -11.489 1.00 0.00 H new ATOM 0 HB2 SER A 71 2.449 5.592 -13.204 1.00 0.00 H new ATOM 0 HB3 SER A 71 2.161 7.298 -13.483 1.00 0.00 H new ATOM 0 HG SER A 71 3.227 5.637 -15.234 1.00 0.00 H new ATOM 1093 N THR A 72 4.625 4.700 -11.798 1.00 0.00 N ATOM 1094 CA THR A 72 5.352 3.387 -11.610 1.00 0.00 C ATOM 1095 C THR A 72 4.471 2.273 -12.205 1.00 0.00 C ATOM 1096 O THR A 72 3.629 1.752 -11.499 1.00 0.00 O ATOM 1097 CB THR A 72 5.563 3.025 -10.121 1.00 0.00 C ATOM 1098 OG1 THR A 72 6.625 3.831 -9.647 1.00 0.00 O ATOM 1099 CG2 THR A 72 6.224 1.665 -9.964 1.00 0.00 C ATOM 0 H THR A 72 3.749 4.755 -11.278 1.00 0.00 H new ATOM 0 HA THR A 72 6.326 3.482 -12.090 1.00 0.00 H new ATOM 0 HB THR A 72 4.591 3.109 -9.635 1.00 0.00 H new ATOM 0 HG1 THR A 72 6.543 4.733 -10.021 1.00 0.00 H new ATOM 0 HG21 THR A 72 6.356 1.445 -8.905 1.00 0.00 H new ATOM 0 HG22 THR A 72 5.594 0.900 -10.418 1.00 0.00 H new ATOM 0 HG23 THR A 72 7.196 1.674 -10.457 1.00 0.00 H new ATOM 1107 N SER A 73 4.625 1.914 -13.445 1.00 0.00 N ATOM 1108 CA SER A 73 3.763 0.817 -14.045 1.00 0.00 C ATOM 1109 C SER A 73 4.390 -0.590 -13.981 1.00 0.00 C ATOM 1110 O SER A 73 5.383 -0.898 -14.607 1.00 0.00 O ATOM 1111 CB SER A 73 3.438 1.173 -15.538 1.00 0.00 C ATOM 1112 OG SER A 73 4.238 2.309 -15.846 1.00 0.00 O ATOM 0 H SER A 73 5.307 2.323 -14.084 1.00 0.00 H new ATOM 0 HA SER A 73 2.859 0.774 -13.438 1.00 0.00 H new ATOM 0 HB2 SER A 73 3.672 0.339 -16.199 1.00 0.00 H new ATOM 0 HB3 SER A 73 2.378 1.394 -15.666 1.00 0.00 H new ATOM 0 HG SER A 73 3.710 3.125 -15.720 1.00 0.00 H new ATOM 1118 N THR A 74 3.783 -1.449 -13.207 1.00 0.00 N ATOM 1119 CA THR A 74 4.287 -2.868 -13.041 1.00 0.00 C ATOM 1120 C THR A 74 3.320 -3.966 -13.483 1.00 0.00 C ATOM 1121 O THR A 74 2.142 -3.938 -13.194 1.00 0.00 O ATOM 1122 CB THR A 74 4.637 -3.145 -11.555 1.00 0.00 C ATOM 1123 OG1 THR A 74 4.591 -4.561 -11.383 1.00 0.00 O ATOM 1124 CG2 THR A 74 3.560 -2.660 -10.615 1.00 0.00 C ATOM 0 H THR A 74 2.944 -1.235 -12.668 1.00 0.00 H new ATOM 0 HA THR A 74 5.156 -2.915 -13.697 1.00 0.00 H new ATOM 0 HB THR A 74 5.591 -2.661 -11.344 1.00 0.00 H new ATOM 0 HG1 THR A 74 3.710 -4.820 -11.040 1.00 0.00 H new ATOM 0 HG21 THR A 74 3.850 -2.876 -9.587 1.00 0.00 H new ATOM 0 HG22 THR A 74 3.428 -1.585 -10.737 1.00 0.00 H new ATOM 0 HG23 THR A 74 2.623 -3.168 -10.842 1.00 0.00 H new ATOM 1132 N THR A 75 3.850 -4.922 -14.192 1.00 0.00 N ATOM 1133 CA THR A 75 2.992 -6.066 -14.670 1.00 0.00 C ATOM 1134 C THR A 75 3.415 -7.383 -14.011 1.00 0.00 C ATOM 1135 O THR A 75 3.255 -8.437 -14.567 1.00 0.00 O ATOM 1136 CB THR A 75 3.110 -6.130 -16.231 1.00 0.00 C ATOM 1137 OG1 THR A 75 1.919 -6.790 -16.620 1.00 0.00 O ATOM 1138 CG2 THR A 75 4.160 -7.071 -16.823 1.00 0.00 C ATOM 0 H THR A 75 4.832 -4.970 -14.465 1.00 0.00 H new ATOM 0 HA THR A 75 1.951 -5.906 -14.388 1.00 0.00 H new ATOM 0 HB THR A 75 3.334 -5.114 -16.557 1.00 0.00 H new ATOM 0 HG1 THR A 75 1.854 -7.649 -16.153 1.00 0.00 H new ATOM 0 HG21 THR A 75 4.129 -7.012 -17.911 1.00 0.00 H new ATOM 0 HG22 THR A 75 5.150 -6.779 -16.472 1.00 0.00 H new ATOM 0 HG23 THR A 75 3.951 -8.094 -16.509 1.00 0.00 H new ATOM 1146 N PHE A 76 3.931 -7.251 -12.817 1.00 0.00 N ATOM 1147 CA PHE A 76 4.451 -8.360 -11.916 1.00 0.00 C ATOM 1148 C PHE A 76 4.869 -9.769 -12.489 1.00 0.00 C ATOM 1149 O PHE A 76 4.248 -10.324 -13.367 1.00 0.00 O ATOM 1150 CB PHE A 76 3.386 -8.610 -10.820 1.00 0.00 C ATOM 1151 CG PHE A 76 2.878 -7.304 -10.222 1.00 0.00 C ATOM 1152 CD1 PHE A 76 1.961 -6.559 -10.927 1.00 0.00 C ATOM 1153 CD2 PHE A 76 3.315 -6.852 -8.996 1.00 0.00 C ATOM 1154 CE1 PHE A 76 1.483 -5.382 -10.423 1.00 0.00 C ATOM 1155 CE2 PHE A 76 2.836 -5.665 -8.484 1.00 0.00 C ATOM 1156 CZ PHE A 76 1.918 -4.933 -9.200 1.00 0.00 C ATOM 0 H PHE A 76 4.025 -6.333 -12.382 1.00 0.00 H new ATOM 0 HA PHE A 76 5.412 -7.951 -11.604 1.00 0.00 H new ATOM 0 HB2 PHE A 76 2.550 -9.166 -11.245 1.00 0.00 H new ATOM 0 HB3 PHE A 76 3.813 -9.230 -10.032 1.00 0.00 H new ATOM 0 HD1 PHE A 76 1.615 -6.908 -11.889 1.00 0.00 H new ATOM 0 HD2 PHE A 76 4.035 -7.429 -8.435 1.00 0.00 H new ATOM 0 HE1 PHE A 76 0.764 -4.805 -10.986 1.00 0.00 H new ATOM 0 HE2 PHE A 76 3.181 -5.311 -7.524 1.00 0.00 H new ATOM 0 HZ PHE A 76 1.539 -4.004 -8.800 1.00 0.00 H new ATOM 1166 N PRO A 77 5.922 -10.356 -11.969 1.00 0.00 N ATOM 1167 CA PRO A 77 6.375 -11.690 -12.482 1.00 0.00 C ATOM 1168 C PRO A 77 5.266 -12.787 -12.436 1.00 0.00 C ATOM 1169 O PRO A 77 4.944 -13.282 -11.377 1.00 0.00 O ATOM 1170 CB PRO A 77 7.610 -11.996 -11.608 1.00 0.00 C ATOM 1171 CG PRO A 77 7.289 -11.216 -10.304 1.00 0.00 C ATOM 1172 CD PRO A 77 6.776 -9.873 -10.846 1.00 0.00 C ATOM 0 HA PRO A 77 6.616 -11.677 -13.545 1.00 0.00 H new ATOM 0 HB2 PRO A 77 7.725 -13.064 -11.426 1.00 0.00 H new ATOM 0 HB3 PRO A 77 8.534 -11.650 -12.073 1.00 0.00 H new ATOM 0 HG2 PRO A 77 6.538 -11.725 -9.700 1.00 0.00 H new ATOM 0 HG3 PRO A 77 8.172 -11.091 -9.677 1.00 0.00 H new ATOM 0 HD2 PRO A 77 6.209 -9.313 -10.102 1.00 0.00 H new ATOM 0 HD3 PRO A 77 7.584 -9.225 -11.186 1.00 0.00 H new ATOM 1180 N ALA A 78 4.718 -13.081 -13.588 1.00 0.00 N ATOM 1181 CA ALA A 78 3.633 -14.115 -13.805 1.00 0.00 C ATOM 1182 C ALA A 78 3.385 -15.163 -12.672 1.00 0.00 C ATOM 1183 O ALA A 78 2.265 -15.494 -12.335 1.00 0.00 O ATOM 1184 CB ALA A 78 3.999 -14.802 -15.142 1.00 0.00 C ATOM 0 H ALA A 78 4.995 -12.616 -14.453 1.00 0.00 H new ATOM 0 HA ALA A 78 2.675 -13.595 -13.810 1.00 0.00 H new ATOM 0 HB1 ALA A 78 3.258 -15.568 -15.372 1.00 0.00 H new ATOM 0 HB2 ALA A 78 4.014 -14.060 -15.940 1.00 0.00 H new ATOM 0 HB3 ALA A 78 4.983 -15.263 -15.057 1.00 0.00 H new ATOM 1190 N ASP A 79 4.473 -15.638 -12.148 1.00 0.00 N ATOM 1191 CA ASP A 79 4.555 -16.654 -11.049 1.00 0.00 C ATOM 1192 C ASP A 79 3.566 -16.289 -9.889 1.00 0.00 C ATOM 1193 O ASP A 79 2.909 -17.129 -9.303 1.00 0.00 O ATOM 1194 CB ASP A 79 6.072 -16.658 -10.630 1.00 0.00 C ATOM 1195 CG ASP A 79 7.009 -16.693 -11.828 1.00 0.00 C ATOM 1196 OD1 ASP A 79 7.195 -15.630 -12.399 1.00 0.00 O ATOM 1197 OD2 ASP A 79 7.475 -17.780 -12.100 1.00 0.00 O ATOM 0 H ASP A 79 5.395 -15.337 -12.465 1.00 0.00 H new ATOM 0 HA ASP A 79 4.248 -17.656 -11.350 1.00 0.00 H new ATOM 0 HB2 ASP A 79 6.283 -15.770 -10.034 1.00 0.00 H new ATOM 0 HB3 ASP A 79 6.268 -17.522 -9.995 1.00 0.00 H new ATOM 1202 N ALA A 80 3.544 -15.015 -9.615 1.00 0.00 N ATOM 1203 CA ALA A 80 2.709 -14.326 -8.569 1.00 0.00 C ATOM 1204 C ALA A 80 1.421 -15.043 -8.000 1.00 0.00 C ATOM 1205 O ALA A 80 0.344 -14.847 -8.528 1.00 0.00 O ATOM 1206 CB ALA A 80 2.384 -12.956 -9.211 1.00 0.00 C ATOM 0 H ALA A 80 4.131 -14.356 -10.126 1.00 0.00 H new ATOM 0 HA ALA A 80 3.288 -14.294 -7.646 1.00 0.00 H new ATOM 0 HB1 ALA A 80 1.773 -12.369 -8.525 1.00 0.00 H new ATOM 0 HB2 ALA A 80 3.311 -12.422 -9.419 1.00 0.00 H new ATOM 0 HB3 ALA A 80 1.838 -13.111 -10.142 1.00 0.00 H new ATOM 1212 N PRO A 81 1.552 -15.831 -6.957 1.00 0.00 N ATOM 1213 CA PRO A 81 0.380 -16.402 -6.218 1.00 0.00 C ATOM 1214 C PRO A 81 -0.028 -15.589 -4.944 1.00 0.00 C ATOM 1215 O PRO A 81 0.634 -14.612 -4.611 1.00 0.00 O ATOM 1216 CB PRO A 81 0.888 -17.798 -5.961 1.00 0.00 C ATOM 1217 CG PRO A 81 2.361 -17.505 -5.495 1.00 0.00 C ATOM 1218 CD PRO A 81 2.837 -16.307 -6.381 1.00 0.00 C ATOM 0 HA PRO A 81 -0.566 -16.374 -6.759 1.00 0.00 H new ATOM 0 HB2 PRO A 81 0.308 -18.312 -5.194 1.00 0.00 H new ATOM 0 HB3 PRO A 81 0.855 -18.419 -6.856 1.00 0.00 H new ATOM 0 HG2 PRO A 81 2.396 -17.251 -4.436 1.00 0.00 H new ATOM 0 HG3 PRO A 81 3.000 -18.377 -5.635 1.00 0.00 H new ATOM 0 HD2 PRO A 81 3.333 -15.535 -5.793 1.00 0.00 H new ATOM 0 HD3 PRO A 81 3.540 -16.622 -7.152 1.00 0.00 H new ATOM 1226 N ALA A 82 -1.082 -16.045 -4.309 1.00 0.00 N ATOM 1227 CA ALA A 82 -1.725 -15.485 -3.051 1.00 0.00 C ATOM 1228 C ALA A 82 -1.058 -14.181 -2.538 1.00 0.00 C ATOM 1229 O ALA A 82 -0.554 -14.048 -1.438 1.00 0.00 O ATOM 1230 CB ALA A 82 -1.655 -16.648 -2.034 1.00 0.00 C ATOM 0 H ALA A 82 -1.577 -16.871 -4.646 1.00 0.00 H new ATOM 0 HA ALA A 82 -2.751 -15.165 -3.234 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -2.099 -16.333 -1.090 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -2.203 -17.506 -2.424 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -0.614 -16.926 -1.870 1.00 0.00 H new ATOM 1236 N GLY A 83 -1.112 -13.228 -3.413 1.00 0.00 N ATOM 1237 CA GLY A 83 -0.540 -11.859 -3.240 1.00 0.00 C ATOM 1238 C GLY A 83 -0.691 -10.943 -2.053 1.00 0.00 C ATOM 1239 O GLY A 83 -0.887 -9.772 -2.279 1.00 0.00 O ATOM 0 H GLY A 83 -1.567 -13.351 -4.318 1.00 0.00 H new ATOM 0 HA2 GLY A 83 0.535 -11.979 -3.374 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -0.906 -11.286 -4.092 1.00 0.00 H new ATOM 1243 N GLU A 84 -0.604 -11.383 -0.840 1.00 0.00 N ATOM 1244 CA GLU A 84 -0.756 -10.369 0.256 1.00 0.00 C ATOM 1245 C GLU A 84 0.624 -9.657 0.402 1.00 0.00 C ATOM 1246 O GLU A 84 1.447 -9.899 1.261 1.00 0.00 O ATOM 1247 CB GLU A 84 -1.210 -11.125 1.544 1.00 0.00 C ATOM 1248 CG GLU A 84 -1.025 -10.181 2.783 1.00 0.00 C ATOM 1249 CD GLU A 84 -1.566 -8.795 2.564 1.00 0.00 C ATOM 1250 OE1 GLU A 84 -2.770 -8.665 2.495 1.00 0.00 O ATOM 1251 OE2 GLU A 84 -0.784 -7.862 2.489 1.00 0.00 O ATOM 0 H GLU A 84 -0.443 -12.349 -0.554 1.00 0.00 H new ATOM 0 HA GLU A 84 -1.509 -9.607 0.052 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -2.253 -11.428 1.454 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -0.623 -12.035 1.673 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -1.522 -10.625 3.646 1.00 0.00 H new ATOM 0 HG3 GLU A 84 0.036 -10.115 3.025 1.00 0.00 H new ATOM 1258 N TYR A 85 0.846 -8.771 -0.530 1.00 0.00 N ATOM 1259 CA TYR A 85 2.107 -7.965 -0.592 1.00 0.00 C ATOM 1260 C TYR A 85 1.783 -6.523 -0.119 1.00 0.00 C ATOM 1261 O TYR A 85 1.402 -5.653 -0.884 1.00 0.00 O ATOM 1262 CB TYR A 85 2.646 -7.919 -2.065 1.00 0.00 C ATOM 1263 CG TYR A 85 2.758 -9.258 -2.806 1.00 0.00 C ATOM 1264 CD1 TYR A 85 3.729 -10.190 -2.509 1.00 0.00 C ATOM 1265 CD2 TYR A 85 1.869 -9.536 -3.818 1.00 0.00 C ATOM 1266 CE1 TYR A 85 3.796 -11.381 -3.225 1.00 0.00 C ATOM 1267 CE2 TYR A 85 1.944 -10.719 -4.524 1.00 0.00 C ATOM 1268 CZ TYR A 85 2.903 -11.643 -4.231 1.00 0.00 C ATOM 1269 OH TYR A 85 2.953 -12.824 -4.931 1.00 0.00 O ATOM 0 H TYR A 85 0.184 -8.563 -1.278 1.00 0.00 H new ATOM 0 HA TYR A 85 2.867 -8.417 0.045 1.00 0.00 H new ATOM 0 HB2 TYR A 85 1.995 -7.264 -2.644 1.00 0.00 H new ATOM 0 HB3 TYR A 85 3.633 -7.456 -2.051 1.00 0.00 H new ATOM 0 HD1 TYR A 85 4.439 -9.995 -1.719 1.00 0.00 H new ATOM 0 HD2 TYR A 85 1.101 -8.818 -4.064 1.00 0.00 H new ATOM 0 HE1 TYR A 85 4.559 -12.106 -2.986 1.00 0.00 H new ATOM 0 HE2 TYR A 85 1.237 -10.915 -5.316 1.00 0.00 H new ATOM 0 HH TYR A 85 2.140 -13.343 -4.756 1.00 0.00 H new ATOM 1279 N THR A 86 1.933 -6.268 1.146 1.00 0.00 N ATOM 1280 CA THR A 86 1.623 -4.879 1.625 1.00 0.00 C ATOM 1281 C THR A 86 2.632 -3.846 1.091 1.00 0.00 C ATOM 1282 O THR A 86 3.769 -3.717 1.495 1.00 0.00 O ATOM 1283 CB THR A 86 1.610 -4.844 3.157 1.00 0.00 C ATOM 1284 OG1 THR A 86 0.451 -5.606 3.491 1.00 0.00 O ATOM 1285 CG2 THR A 86 1.126 -3.489 3.660 1.00 0.00 C ATOM 0 H THR A 86 2.246 -6.930 1.856 1.00 0.00 H new ATOM 0 HA THR A 86 0.639 -4.612 1.240 1.00 0.00 H new ATOM 0 HB THR A 86 2.589 -5.134 3.537 1.00 0.00 H new ATOM 0 HG1 THR A 86 0.378 -6.373 2.886 1.00 0.00 H new ATOM 0 HG21 THR A 86 1.124 -3.485 4.750 1.00 0.00 H new ATOM 0 HG22 THR A 86 1.792 -2.707 3.295 1.00 0.00 H new ATOM 0 HG23 THR A 86 0.116 -3.305 3.295 1.00 0.00 H new ATOM 1293 N PHE A 87 2.114 -3.141 0.134 1.00 0.00 N ATOM 1294 CA PHE A 87 2.798 -2.057 -0.609 1.00 0.00 C ATOM 1295 C PHE A 87 2.376 -0.698 0.002 1.00 0.00 C ATOM 1296 O PHE A 87 1.323 -0.163 -0.255 1.00 0.00 O ATOM 1297 CB PHE A 87 2.368 -2.357 -2.078 1.00 0.00 C ATOM 1298 CG PHE A 87 2.000 -1.218 -3.011 1.00 0.00 C ATOM 1299 CD1 PHE A 87 2.425 0.070 -2.875 1.00 0.00 C ATOM 1300 CD2 PHE A 87 1.177 -1.538 -4.061 1.00 0.00 C ATOM 1301 CE1 PHE A 87 2.028 1.021 -3.775 1.00 0.00 C ATOM 1302 CE2 PHE A 87 0.776 -0.597 -4.963 1.00 0.00 C ATOM 1303 CZ PHE A 87 1.202 0.698 -4.825 1.00 0.00 C ATOM 0 H PHE A 87 1.158 -3.291 -0.188 1.00 0.00 H new ATOM 0 HA PHE A 87 3.886 -2.007 -0.560 1.00 0.00 H new ATOM 0 HB2 PHE A 87 3.182 -2.910 -2.547 1.00 0.00 H new ATOM 0 HB3 PHE A 87 1.511 -3.029 -2.034 1.00 0.00 H new ATOM 0 HD1 PHE A 87 3.076 0.340 -2.056 1.00 0.00 H new ATOM 0 HD2 PHE A 87 0.839 -2.557 -4.176 1.00 0.00 H new ATOM 0 HE1 PHE A 87 2.368 2.039 -3.659 1.00 0.00 H new ATOM 0 HE2 PHE A 87 0.127 -0.871 -5.781 1.00 0.00 H new ATOM 0 HZ PHE A 87 0.893 1.454 -5.531 1.00 0.00 H new ATOM 1313 N TYR A 88 3.208 -0.161 0.837 1.00 0.00 N ATOM 1314 CA TYR A 88 2.912 1.147 1.493 1.00 0.00 C ATOM 1315 C TYR A 88 3.858 2.302 1.109 1.00 0.00 C ATOM 1316 O TYR A 88 5.036 2.109 0.898 1.00 0.00 O ATOM 1317 CB TYR A 88 2.960 0.907 3.005 1.00 0.00 C ATOM 1318 CG TYR A 88 4.300 0.241 3.315 1.00 0.00 C ATOM 1319 CD1 TYR A 88 5.477 0.950 3.404 1.00 0.00 C ATOM 1320 CD2 TYR A 88 4.335 -1.114 3.493 1.00 0.00 C ATOM 1321 CE1 TYR A 88 6.668 0.301 3.666 1.00 0.00 C ATOM 1322 CE2 TYR A 88 5.515 -1.752 3.753 1.00 0.00 C ATOM 1323 CZ TYR A 88 6.684 -1.060 3.845 1.00 0.00 C ATOM 1324 OH TYR A 88 7.836 -1.746 4.134 1.00 0.00 O ATOM 0 H TYR A 88 4.101 -0.577 1.103 1.00 0.00 H new ATOM 0 HA TYR A 88 1.933 1.476 1.146 1.00 0.00 H new ATOM 0 HB2 TYR A 88 2.864 1.848 3.547 1.00 0.00 H new ATOM 0 HB3 TYR A 88 2.133 0.271 3.320 1.00 0.00 H new ATOM 0 HD1 TYR A 88 5.469 2.021 3.268 1.00 0.00 H new ATOM 0 HD2 TYR A 88 3.421 -1.686 3.427 1.00 0.00 H new ATOM 0 HE1 TYR A 88 7.587 0.865 3.730 1.00 0.00 H new ATOM 0 HE2 TYR A 88 5.521 -2.824 3.888 1.00 0.00 H new ATOM 0 HH TYR A 88 7.617 -2.553 4.645 1.00 0.00 H new ATOM 1334 N CYS A 89 3.341 3.487 1.042 1.00 0.00 N ATOM 1335 CA CYS A 89 4.190 4.670 0.675 1.00 0.00 C ATOM 1336 C CYS A 89 5.037 5.240 1.843 1.00 0.00 C ATOM 1337 O CYS A 89 4.780 6.327 2.303 1.00 0.00 O ATOM 1338 CB CYS A 89 3.246 5.718 0.129 1.00 0.00 C ATOM 1339 SG CYS A 89 4.002 7.245 -0.466 1.00 0.00 S ATOM 0 H CYS A 89 2.361 3.701 1.225 1.00 0.00 H new ATOM 0 HA CYS A 89 4.932 4.356 -0.059 1.00 0.00 H new ATOM 0 HB2 CYS A 89 2.680 5.275 -0.690 1.00 0.00 H new ATOM 0 HB3 CYS A 89 2.530 5.973 0.910 1.00 0.00 H new ATOM 1344 N GLU A 90 6.015 4.500 2.280 1.00 0.00 N ATOM 1345 CA GLU A 90 6.947 4.893 3.416 1.00 0.00 C ATOM 1346 C GLU A 90 6.675 6.246 4.212 1.00 0.00 C ATOM 1347 O GLU A 90 6.179 6.188 5.327 1.00 0.00 O ATOM 1348 CB GLU A 90 8.329 4.818 2.721 1.00 0.00 C ATOM 1349 CG GLU A 90 9.547 5.248 3.631 1.00 0.00 C ATOM 1350 CD GLU A 90 9.810 4.286 4.767 1.00 0.00 C ATOM 1351 OE1 GLU A 90 9.652 3.103 4.577 1.00 0.00 O ATOM 1352 OE2 GLU A 90 10.165 4.778 5.818 1.00 0.00 O ATOM 0 H GLU A 90 6.230 3.585 1.884 1.00 0.00 H new ATOM 0 HA GLU A 90 6.814 4.228 4.269 1.00 0.00 H new ATOM 0 HB2 GLU A 90 8.493 3.797 2.376 1.00 0.00 H new ATOM 0 HB3 GLU A 90 8.311 5.454 1.836 1.00 0.00 H new ATOM 0 HG2 GLU A 90 10.443 5.326 3.015 1.00 0.00 H new ATOM 0 HG3 GLU A 90 9.354 6.240 4.040 1.00 0.00 H new ATOM 1359 N PRO A 91 6.960 7.418 3.681 1.00 0.00 N ATOM 1360 CA PRO A 91 6.740 8.715 4.419 1.00 0.00 C ATOM 1361 C PRO A 91 5.258 8.945 4.832 1.00 0.00 C ATOM 1362 O PRO A 91 4.923 9.707 5.714 1.00 0.00 O ATOM 1363 CB PRO A 91 7.292 9.762 3.431 1.00 0.00 C ATOM 1364 CG PRO A 91 7.014 9.090 2.058 1.00 0.00 C ATOM 1365 CD PRO A 91 7.497 7.656 2.312 1.00 0.00 C ATOM 0 HA PRO A 91 7.242 8.752 5.386 1.00 0.00 H new ATOM 0 HB2 PRO A 91 6.783 10.721 3.526 1.00 0.00 H new ATOM 0 HB3 PRO A 91 8.355 9.949 3.586 1.00 0.00 H new ATOM 0 HG2 PRO A 91 5.958 9.125 1.791 1.00 0.00 H new ATOM 0 HG3 PRO A 91 7.564 9.570 1.248 1.00 0.00 H new ATOM 0 HD2 PRO A 91 7.098 6.950 1.583 1.00 0.00 H new ATOM 0 HD3 PRO A 91 8.583 7.573 2.274 1.00 0.00 H new ATOM 1373 N HIS A 92 4.412 8.247 4.142 1.00 0.00 N ATOM 1374 CA HIS A 92 2.923 8.276 4.323 1.00 0.00 C ATOM 1375 C HIS A 92 2.335 6.879 4.717 1.00 0.00 C ATOM 1376 O HIS A 92 1.281 6.498 4.240 1.00 0.00 O ATOM 1377 CB HIS A 92 2.346 8.775 2.971 1.00 0.00 C ATOM 1378 CG HIS A 92 3.133 9.969 2.412 1.00 0.00 C ATOM 1379 ND1 HIS A 92 3.462 10.070 1.128 1.00 0.00 N ATOM 1380 CD2 HIS A 92 3.598 11.071 3.102 1.00 0.00 C ATOM 1381 CE1 HIS A 92 4.116 11.212 1.040 1.00 0.00 C ATOM 1382 NE2 HIS A 92 4.188 11.781 2.194 1.00 0.00 N ATOM 0 H HIS A 92 4.708 7.608 3.404 1.00 0.00 H new ATOM 0 HA HIS A 92 2.649 8.934 5.148 1.00 0.00 H new ATOM 0 HB2 HIS A 92 2.363 7.960 2.247 1.00 0.00 H new ATOM 0 HB3 HIS A 92 1.303 9.060 3.106 1.00 0.00 H new ATOM 0 HD2 HIS A 92 3.494 11.290 4.154 1.00 0.00 H new ATOM 0 HE1 HIS A 92 4.533 11.614 0.128 1.00 0.00 H new ATOM 0 HE2 HIS A 92 4.649 12.674 2.369 1.00 0.00 H new ATOM 1390 N ARG A 93 3.000 6.139 5.566 1.00 0.00 N ATOM 1391 CA ARG A 93 2.461 4.781 5.970 1.00 0.00 C ATOM 1392 C ARG A 93 1.260 4.764 6.952 1.00 0.00 C ATOM 1393 O ARG A 93 1.077 5.632 7.779 1.00 0.00 O ATOM 1394 CB ARG A 93 3.607 3.948 6.617 1.00 0.00 C ATOM 1395 CG ARG A 93 4.564 3.418 5.542 1.00 0.00 C ATOM 1396 CD ARG A 93 5.636 2.504 6.162 1.00 0.00 C ATOM 1397 NE ARG A 93 6.369 3.322 7.192 1.00 0.00 N ATOM 1398 CZ ARG A 93 7.550 3.710 6.967 1.00 0.00 C ATOM 1399 NH1 ARG A 93 8.463 2.869 6.869 1.00 0.00 N ATOM 1400 NH2 ARG A 93 7.727 4.935 6.849 1.00 0.00 N ATOM 0 H ARG A 93 3.885 6.402 6.000 1.00 0.00 H new ATOM 0 HA ARG A 93 2.082 4.363 5.037 1.00 0.00 H new ATOM 0 HB2 ARG A 93 4.156 4.566 7.327 1.00 0.00 H new ATOM 0 HB3 ARG A 93 3.185 3.115 7.179 1.00 0.00 H new ATOM 0 HG2 ARG A 93 4.001 2.866 4.789 1.00 0.00 H new ATOM 0 HG3 ARG A 93 5.044 4.254 5.033 1.00 0.00 H new ATOM 0 HD2 ARG A 93 5.178 1.628 6.620 1.00 0.00 H new ATOM 0 HD3 ARG A 93 6.323 2.141 5.397 1.00 0.00 H new ATOM 0 HE ARG A 93 5.912 3.563 8.071 1.00 0.00 H new ATOM 0 HH11 ARG A 93 8.254 1.876 6.970 1.00 0.00 H new ATOM 0 HH12 ARG A 93 9.419 3.173 6.687 1.00 0.00 H new ATOM 0 HH21 ARG A 93 6.937 5.575 6.935 1.00 0.00 H new ATOM 0 HH22 ARG A 93 8.662 5.300 6.667 1.00 0.00 H new ATOM 1414 N GLY A 94 0.464 3.734 6.820 1.00 0.00 N ATOM 1415 CA GLY A 94 -0.759 3.544 7.698 1.00 0.00 C ATOM 1416 C GLY A 94 -1.918 4.524 7.488 1.00 0.00 C ATOM 1417 O GLY A 94 -3.017 4.135 7.156 1.00 0.00 O ATOM 0 H GLY A 94 0.603 2.995 6.130 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -1.136 2.533 7.542 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -0.443 3.609 8.739 1.00 0.00 H new ATOM 1421 N ALA A 95 -1.648 5.779 7.671 1.00 0.00 N ATOM 1422 CA ALA A 95 -2.697 6.833 7.507 1.00 0.00 C ATOM 1423 C ALA A 95 -3.054 7.234 6.043 1.00 0.00 C ATOM 1424 O ALA A 95 -2.986 8.384 5.652 1.00 0.00 O ATOM 1425 CB ALA A 95 -2.177 8.023 8.351 1.00 0.00 C ATOM 0 H ALA A 95 -0.728 6.134 7.933 1.00 0.00 H new ATOM 0 HA ALA A 95 -3.660 6.451 7.846 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -2.886 8.849 8.291 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -2.069 7.712 9.390 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -1.210 8.346 7.967 1.00 0.00 H new ATOM 1431 N GLY A 96 -3.427 6.252 5.265 1.00 0.00 N ATOM 1432 CA GLY A 96 -3.815 6.511 3.817 1.00 0.00 C ATOM 1433 C GLY A 96 -3.050 5.908 2.634 1.00 0.00 C ATOM 1434 O GLY A 96 -3.661 5.306 1.779 1.00 0.00 O ATOM 0 H GLY A 96 -3.485 5.276 5.556 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -4.852 6.192 3.711 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -3.798 7.592 3.679 1.00 0.00 H new ATOM 1438 N MET A 97 -1.754 6.023 2.565 1.00 0.00 N ATOM 1439 CA MET A 97 -1.050 5.432 1.368 1.00 0.00 C ATOM 1440 C MET A 97 -0.653 3.928 1.365 1.00 0.00 C ATOM 1441 O MET A 97 0.512 3.565 1.367 1.00 0.00 O ATOM 1442 CB MET A 97 0.194 6.332 1.126 1.00 0.00 C ATOM 1443 CG MET A 97 -0.231 7.805 0.996 1.00 0.00 C ATOM 1444 SD MET A 97 0.753 8.945 -0.015 1.00 0.00 S ATOM 1445 CE MET A 97 -0.257 8.798 -1.504 1.00 0.00 C ATOM 0 H MET A 97 -1.159 6.482 3.254 1.00 0.00 H new ATOM 0 HA MET A 97 -1.791 5.427 0.569 1.00 0.00 H new ATOM 0 HB2 MET A 97 0.898 6.221 1.951 1.00 0.00 H new ATOM 0 HB3 MET A 97 0.711 6.014 0.221 1.00 0.00 H new ATOM 0 HG2 MET A 97 -1.247 7.816 0.602 1.00 0.00 H new ATOM 0 HG3 MET A 97 -0.275 8.220 2.003 1.00 0.00 H new ATOM 0 HE1 MET A 97 0.150 9.440 -2.285 1.00 0.00 H new ATOM 0 HE2 MET A 97 -0.252 7.763 -1.846 1.00 0.00 H new ATOM 0 HE3 MET A 97 -1.280 9.102 -1.281 1.00 0.00 H new ATOM 1455 N VAL A 98 -1.672 3.115 1.371 1.00 0.00 N ATOM 1456 CA VAL A 98 -1.520 1.612 1.360 1.00 0.00 C ATOM 1457 C VAL A 98 -2.145 0.887 0.120 1.00 0.00 C ATOM 1458 O VAL A 98 -3.338 0.944 -0.089 1.00 0.00 O ATOM 1459 CB VAL A 98 -2.161 1.093 2.673 1.00 0.00 C ATOM 1460 CG1 VAL A 98 -2.036 -0.438 2.753 1.00 0.00 C ATOM 1461 CG2 VAL A 98 -1.414 1.673 3.889 1.00 0.00 C ATOM 0 H VAL A 98 -2.642 3.431 1.383 1.00 0.00 H new ATOM 0 HA VAL A 98 -0.457 1.382 1.287 1.00 0.00 H new ATOM 0 HB VAL A 98 -3.208 1.397 2.679 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -2.489 -0.792 3.679 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -2.547 -0.890 1.903 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -0.983 -0.719 2.734 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -1.871 1.303 4.807 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -0.369 1.366 3.854 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -1.473 2.761 3.867 1.00 0.00 H new ATOM 1471 N GLY A 99 -1.341 0.220 -0.667 1.00 0.00 N ATOM 1472 CA GLY A 99 -1.807 -0.530 -1.901 1.00 0.00 C ATOM 1473 C GLY A 99 -1.599 -2.049 -1.827 1.00 0.00 C ATOM 1474 O GLY A 99 -0.713 -2.615 -2.425 1.00 0.00 O ATOM 0 H GLY A 99 -0.336 0.155 -0.507 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -2.866 -0.326 -2.058 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -1.275 -0.143 -2.770 1.00 0.00 H new ATOM 1478 N LYS A 100 -2.416 -2.720 -1.081 1.00 0.00 N ATOM 1479 CA LYS A 100 -2.336 -4.216 -0.914 1.00 0.00 C ATOM 1480 C LYS A 100 -2.566 -5.027 -2.240 1.00 0.00 C ATOM 1481 O LYS A 100 -3.558 -5.721 -2.366 1.00 0.00 O ATOM 1482 CB LYS A 100 -3.394 -4.563 0.177 1.00 0.00 C ATOM 1483 CG LYS A 100 -3.063 -3.837 1.511 1.00 0.00 C ATOM 1484 CD LYS A 100 -2.215 -4.760 2.431 1.00 0.00 C ATOM 1485 CE LYS A 100 -3.099 -5.737 3.181 1.00 0.00 C ATOM 1486 NZ LYS A 100 -2.196 -6.470 4.099 1.00 0.00 N ATOM 0 H LYS A 100 -3.173 -2.288 -0.552 1.00 0.00 H new ATOM 0 HA LYS A 100 -1.327 -4.507 -0.621 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -4.387 -4.271 -0.166 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -3.417 -5.641 0.339 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -2.517 -2.916 1.306 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -3.986 -3.555 2.018 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -1.488 -5.308 1.832 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -1.652 -4.154 3.141 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -3.879 -5.214 3.734 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -3.598 -6.420 2.494 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -2.616 -7.391 4.336 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -1.276 -6.617 3.637 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -2.061 -5.916 4.969 1.00 0.00 H new ATOM 1500 N ILE A 101 -1.667 -4.923 -3.190 1.00 0.00 N ATOM 1501 CA ILE A 101 -1.781 -5.664 -4.517 1.00 0.00 C ATOM 1502 C ILE A 101 -2.015 -7.193 -4.244 1.00 0.00 C ATOM 1503 O ILE A 101 -1.138 -8.033 -4.252 1.00 0.00 O ATOM 1504 CB ILE A 101 -0.424 -5.346 -5.354 1.00 0.00 C ATOM 1505 CG1 ILE A 101 -0.638 -4.290 -6.488 1.00 0.00 C ATOM 1506 CG2 ILE A 101 0.240 -6.598 -5.984 1.00 0.00 C ATOM 1507 CD1 ILE A 101 -1.072 -4.973 -7.840 1.00 0.00 C ATOM 0 H ILE A 101 -0.832 -4.343 -3.111 1.00 0.00 H new ATOM 0 HA ILE A 101 -2.634 -5.337 -5.111 1.00 0.00 H new ATOM 0 HB ILE A 101 0.246 -4.942 -4.595 1.00 0.00 H new ATOM 0 HG12 ILE A 101 -1.400 -3.574 -6.180 1.00 0.00 H new ATOM 0 HG13 ILE A 101 0.284 -3.729 -6.642 1.00 0.00 H new ATOM 0 HG21 ILE A 101 1.138 -6.300 -6.525 1.00 0.00 H new ATOM 0 HG22 ILE A 101 0.507 -7.303 -5.197 1.00 0.00 H new ATOM 0 HG23 ILE A 101 -0.458 -7.072 -6.674 1.00 0.00 H new ATOM 0 HD11 ILE A 101 -1.212 -4.209 -8.605 1.00 0.00 H new ATOM 0 HD12 ILE A 101 -0.298 -5.670 -8.160 1.00 0.00 H new ATOM 0 HD13 ILE A 101 -2.007 -5.513 -7.691 1.00 0.00 H new ATOM 1519 N THR A 102 -3.237 -7.555 -4.005 1.00 0.00 N ATOM 1520 CA THR A 102 -3.549 -9.000 -3.717 1.00 0.00 C ATOM 1521 C THR A 102 -3.786 -9.893 -4.910 1.00 0.00 C ATOM 1522 O THR A 102 -4.892 -10.162 -5.335 1.00 0.00 O ATOM 1523 CB THR A 102 -4.791 -9.118 -2.772 1.00 0.00 C ATOM 1524 OG1 THR A 102 -5.402 -7.842 -2.634 1.00 0.00 O ATOM 1525 CG2 THR A 102 -4.310 -9.357 -1.362 1.00 0.00 C ATOM 0 H THR A 102 -4.040 -6.926 -3.993 1.00 0.00 H new ATOM 0 HA THR A 102 -2.632 -9.360 -3.251 1.00 0.00 H new ATOM 0 HB THR A 102 -5.440 -9.893 -3.179 1.00 0.00 H new ATOM 0 HG1 THR A 102 -6.343 -7.899 -2.901 1.00 0.00 H new ATOM 0 HG21 THR A 102 -5.167 -9.441 -0.694 1.00 0.00 H new ATOM 0 HG22 THR A 102 -3.731 -10.280 -1.327 1.00 0.00 H new ATOM 0 HG23 THR A 102 -3.684 -8.523 -1.045 1.00 0.00 H new ATOM 1533 N VAL A 103 -2.693 -10.352 -5.446 1.00 0.00 N ATOM 1534 CA VAL A 103 -2.821 -11.257 -6.635 1.00 0.00 C ATOM 1535 C VAL A 103 -3.496 -12.582 -6.170 1.00 0.00 C ATOM 1536 O VAL A 103 -2.922 -13.362 -5.446 1.00 0.00 O ATOM 1537 CB VAL A 103 -1.396 -11.452 -7.212 1.00 0.00 C ATOM 1538 CG1 VAL A 103 -1.405 -12.617 -8.185 1.00 0.00 C ATOM 1539 CG2 VAL A 103 -1.023 -10.236 -8.040 1.00 0.00 C ATOM 0 H VAL A 103 -1.743 -10.153 -5.131 1.00 0.00 H new ATOM 0 HA VAL A 103 -3.450 -10.847 -7.426 1.00 0.00 H new ATOM 0 HB VAL A 103 -0.705 -11.614 -6.385 1.00 0.00 H new ATOM 0 HG11 VAL A 103 -0.404 -12.758 -8.593 1.00 0.00 H new ATOM 0 HG12 VAL A 103 -1.715 -13.523 -7.665 1.00 0.00 H new ATOM 0 HG13 VAL A 103 -2.102 -12.408 -8.997 1.00 0.00 H new ATOM 0 HG21 VAL A 103 -0.021 -10.367 -8.449 1.00 0.00 H new ATOM 0 HG22 VAL A 103 -1.736 -10.119 -8.857 1.00 0.00 H new ATOM 0 HG23 VAL A 103 -1.044 -9.347 -7.410 1.00 0.00 H new ATOM 1549 N ALA A 104 -4.704 -12.735 -6.621 1.00 0.00 N ATOM 1550 CA ALA A 104 -5.614 -13.903 -6.339 1.00 0.00 C ATOM 1551 C ALA A 104 -5.229 -15.080 -5.361 1.00 0.00 C ATOM 1552 O ALA A 104 -5.499 -14.981 -4.178 1.00 0.00 O ATOM 1553 CB ALA A 104 -5.967 -14.427 -7.752 1.00 0.00 C ATOM 0 H ALA A 104 -5.141 -12.041 -7.227 1.00 0.00 H new ATOM 0 HA ALA A 104 -6.415 -13.503 -5.718 1.00 0.00 H new ATOM 0 HB1 ALA A 104 -6.632 -15.286 -7.666 1.00 0.00 H new ATOM 0 HB2 ALA A 104 -6.463 -13.639 -8.319 1.00 0.00 H new ATOM 0 HB3 ALA A 104 -5.054 -14.725 -8.268 1.00 0.00 H new ATOM 1559 N GLY A 105 -4.639 -16.128 -5.867 1.00 0.00 N ATOM 1560 CA GLY A 105 -4.224 -17.331 -5.054 1.00 0.00 C ATOM 1561 C GLY A 105 -2.935 -17.945 -5.584 1.00 0.00 C ATOM 1562 O GLY A 105 -2.281 -18.595 -4.790 1.00 0.00 O ATOM 1563 OXT GLY A 105 -2.675 -17.733 -6.753 1.00 0.00 O ATOM 0 H GLY A 105 -4.413 -16.211 -6.858 1.00 0.00 H new ATOM 0 HA2 GLY A 105 -4.088 -17.038 -4.013 1.00 0.00 H new ATOM 0 HA3 GLY A 105 -5.019 -18.077 -5.074 1.00 0.00 H new TER 1567 GLY A 105 HETATM 1568 CU CU A 106 3.010 9.032 -0.224 1.00 0.00 CU