USER MOD reduce.3.24.130724 H: found=0, std=0, add=851, rem=0, adj=36 USER MOD reduce.3.24.130724 removed 849 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 84 MET CE :methyl -164:sc= -4.49! (180deg=-2.14) USER MOD Set 1.2: A 86 CYS SG : rot 46:sc= -3.02 USER MOD Set 2.1: A 50 ASN : amide:sc= -0.737 K(o=-0.74,f=0) USER MOD Set 2.2: A 69 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 3.1: A 68 TYR OH : rot -100:sc= -1.65 USER MOD Set 3.2: A 72 GLN : amide:sc= -0.739 K(o=-2.4,f=-1.1) USER MOD Single : A 1 GLY N :NH3+ -139:sc= 0.0715 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= -0.0339 USER MOD Single : A 5 SER OG : rot 21:sc= 0.64 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot 21:sc= 0.761 USER MOD Single : A 16 CYS SG : rot 65:sc= 0.0325 USER MOD Single : A 22 ASN : amide:sc= -3.33! K(o=-3.3!,f=-2.4) USER MOD Single : A 28 ASN : amide:sc= -0.775 K(o=-0.77,f=-0.073) USER MOD Single : A 30 THR OG1 : rot 180:sc= -0.866 USER MOD Single : A 31 LYS NZ :NH3+ 166:sc=-0.00286 (180deg=-0.139) USER MOD Single : A 32 ASN : amide:sc= -2.09 K(o=-2.1,f=-0.58) USER MOD Single : A 33 SER OG : rot -110:sc= -0.15 USER MOD Single : A 35 THR OG1 : rot 83:sc= 1.08 USER MOD Single : A 37 GLN : amide:sc= -0.0168 K(o=-0.017,f=-1.5) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 44 ASN : amide:sc= -1.14 K(o=-1.1,f=-1.8!) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc=-0.00603 K(o=-0.006,f=-2.2!) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 ASN : amide:sc= -6.27! C(o=-6.3!,f=-10!) USER MOD Single : A 65 CYS SG : rot 180:sc= 0 USER MOD Single : A 66 GLN : amide:sc= -0.0253 K(o=-0.025,f=-0.58) USER MOD Single : A 67 CYS SG : rot 110:sc= 0.75 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 GLN : amide:sc= 0 X(o=0,f=-0.47) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0.00644 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 SER OG : rot -127:sc= 1.37 USER MOD Single : A 94 ASN : amide:sc= -4.54! C(o=-4.5!,f=-13!) USER MOD Single : A 96 TYR OH : rot 180:sc= 0 USER MOD Single : A 98 THR OG1 : rot 180:sc= -0.971 USER MOD Single : A 99 SER OG : rot 169:sc= 0.427 USER MOD Single : A 102 SER OG : rot 120:sc= 0.488 USER MOD Single : A 107 TYR OH : rot 165:sc= -0.972 USER MOD Single : A 108 TYR OH : rot 180:sc= 0 USER MOD Single : A 109 THR OG1 : rot -165:sc= 0.94 USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD Single : A 112 CYS SG : rot 180:sc= 0 USER MOD Single : A 113 SER OG : rot 180:sc= 0 USER MOD Single : A 116 SER OG : rot 180:sc= 0 USER MOD Single : A 117 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -34.928 46.817 7.156 1.00 0.00 N ATOM 2 CA GLY A 1 -33.694 47.352 6.611 1.00 0.00 C ATOM 3 C GLY A 1 -32.998 46.374 5.686 1.00 0.00 C ATOM 4 O GLY A 1 -33.589 45.382 5.260 1.00 0.00 O ATOM 0 H1 GLY A 1 -35.656 47.559 7.160 1.00 0.00 H new ATOM 0 H2 GLY A 1 -35.250 46.020 6.570 1.00 0.00 H new ATOM 0 H3 GLY A 1 -34.764 46.487 8.129 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -33.909 48.272 6.067 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -33.023 47.615 7.429 1.00 0.00 H new ATOM 8 N SER A 2 -31.737 46.655 5.372 1.00 0.00 N ATOM 9 CA SER A 2 -30.960 45.795 4.486 1.00 0.00 C ATOM 10 C SER A 2 -29.834 45.105 5.249 1.00 0.00 C ATOM 11 O SER A 2 -29.375 45.597 6.280 1.00 0.00 O ATOM 12 CB SER A 2 -30.382 46.611 3.328 1.00 0.00 C ATOM 13 OG SER A 2 -31.390 47.374 2.688 1.00 0.00 O ATOM 0 H SER A 2 -31.232 47.471 5.718 1.00 0.00 H new ATOM 0 HA SER A 2 -31.626 45.030 4.086 1.00 0.00 H new ATOM 0 HB2 SER A 2 -29.601 47.274 3.701 1.00 0.00 H new ATOM 0 HB3 SER A 2 -29.914 45.942 2.606 1.00 0.00 H new ATOM 0 HG SER A 2 -30.994 47.888 1.953 1.00 0.00 H new ATOM 19 N SER A 3 -29.394 43.961 4.735 1.00 0.00 N ATOM 20 CA SER A 3 -28.324 43.199 5.369 1.00 0.00 C ATOM 21 C SER A 3 -26.996 43.431 4.655 1.00 0.00 C ATOM 22 O SER A 3 -26.034 43.914 5.250 1.00 0.00 O ATOM 23 CB SER A 3 -28.663 41.707 5.369 1.00 0.00 C ATOM 24 OG SER A 3 -29.019 41.265 4.071 1.00 0.00 O ATOM 0 H SER A 3 -29.762 43.541 3.881 1.00 0.00 H new ATOM 0 HA SER A 3 -28.227 43.542 6.399 1.00 0.00 H new ATOM 0 HB2 SER A 3 -27.807 41.136 5.729 1.00 0.00 H new ATOM 0 HB3 SER A 3 -29.485 41.518 6.059 1.00 0.00 H new ATOM 0 HG SER A 3 -29.229 40.308 4.097 1.00 0.00 H new ATOM 30 N GLY A 4 -26.951 43.081 3.373 1.00 0.00 N ATOM 31 CA GLY A 4 -25.737 43.257 2.598 1.00 0.00 C ATOM 32 C GLY A 4 -25.100 41.937 2.210 1.00 0.00 C ATOM 33 O GLY A 4 -25.708 40.878 2.362 1.00 0.00 O ATOM 0 H GLY A 4 -27.734 42.679 2.858 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -25.964 43.826 1.697 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -25.024 43.846 3.175 1.00 0.00 H new ATOM 37 N SER A 5 -23.872 42.000 1.705 1.00 0.00 N ATOM 38 CA SER A 5 -23.154 40.801 1.289 1.00 0.00 C ATOM 39 C SER A 5 -21.653 41.063 1.220 1.00 0.00 C ATOM 40 O SER A 5 -21.193 41.896 0.438 1.00 0.00 O ATOM 41 CB SER A 5 -23.663 40.323 -0.072 1.00 0.00 C ATOM 42 OG SER A 5 -23.306 41.232 -1.098 1.00 0.00 O ATOM 0 H SER A 5 -23.354 42.869 1.574 1.00 0.00 H new ATOM 0 HA SER A 5 -23.335 40.023 2.031 1.00 0.00 H new ATOM 0 HB2 SER A 5 -23.249 39.339 -0.293 1.00 0.00 H new ATOM 0 HB3 SER A 5 -24.747 40.213 -0.040 1.00 0.00 H new ATOM 0 HG SER A 5 -22.553 41.783 -0.799 1.00 0.00 H new ATOM 48 N SER A 6 -20.894 40.346 2.043 1.00 0.00 N ATOM 49 CA SER A 6 -19.445 40.503 2.078 1.00 0.00 C ATOM 50 C SER A 6 -18.748 39.165 1.854 1.00 0.00 C ATOM 51 O SER A 6 -18.851 38.253 2.674 1.00 0.00 O ATOM 52 CB SER A 6 -19.009 41.101 3.417 1.00 0.00 C ATOM 53 OG SER A 6 -19.009 42.517 3.369 1.00 0.00 O ATOM 0 H SER A 6 -21.259 39.651 2.694 1.00 0.00 H new ATOM 0 HA SER A 6 -19.158 41.181 1.274 1.00 0.00 H new ATOM 0 HB2 SER A 6 -19.680 40.761 4.206 1.00 0.00 H new ATOM 0 HB3 SER A 6 -18.011 40.743 3.671 1.00 0.00 H new ATOM 0 HG SER A 6 -18.728 42.874 4.238 1.00 0.00 H new ATOM 59 N GLY A 7 -18.038 39.054 0.735 1.00 0.00 N ATOM 60 CA GLY A 7 -17.334 37.825 0.422 1.00 0.00 C ATOM 61 C GLY A 7 -15.852 38.047 0.193 1.00 0.00 C ATOM 62 O GLY A 7 -15.453 38.626 -0.816 1.00 0.00 O ATOM 0 H GLY A 7 -17.938 39.794 0.040 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -17.470 37.115 1.237 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -17.773 37.376 -0.469 1.00 0.00 H new ATOM 66 N ALA A 8 -15.034 37.587 1.135 1.00 0.00 N ATOM 67 CA ALA A 8 -13.588 37.738 1.031 1.00 0.00 C ATOM 68 C ALA A 8 -12.987 36.665 0.130 1.00 0.00 C ATOM 69 O ALA A 8 -13.565 35.592 -0.043 1.00 0.00 O ATOM 70 CB ALA A 8 -12.952 37.688 2.412 1.00 0.00 C ATOM 0 H ALA A 8 -15.348 37.107 1.978 1.00 0.00 H new ATOM 0 HA ALA A 8 -13.380 38.709 0.582 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -11.872 37.802 2.320 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -13.351 38.496 3.026 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -13.177 36.730 2.882 1.00 0.00 H new ATOM 76 N GLU A 9 -11.824 36.961 -0.441 1.00 0.00 N ATOM 77 CA GLU A 9 -11.146 36.020 -1.325 1.00 0.00 C ATOM 78 C GLU A 9 -9.930 35.406 -0.637 1.00 0.00 C ATOM 79 O GLU A 9 -8.814 35.913 -0.756 1.00 0.00 O ATOM 80 CB GLU A 9 -10.715 36.719 -2.616 1.00 0.00 C ATOM 81 CG GLU A 9 -11.830 36.844 -3.641 1.00 0.00 C ATOM 82 CD GLU A 9 -11.308 37.084 -5.045 1.00 0.00 C ATOM 83 OE1 GLU A 9 -10.793 38.192 -5.304 1.00 0.00 O ATOM 84 OE2 GLU A 9 -11.415 36.165 -5.883 1.00 0.00 O ATOM 0 H GLU A 9 -11.332 37.844 -0.308 1.00 0.00 H new ATOM 0 HA GLU A 9 -11.846 35.221 -1.568 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -10.342 37.714 -2.374 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -9.886 36.167 -3.059 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -12.431 35.935 -3.631 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -12.489 37.665 -3.357 1.00 0.00 H new ATOM 91 N ILE A 10 -10.155 34.312 0.083 1.00 0.00 N ATOM 92 CA ILE A 10 -9.079 33.628 0.790 1.00 0.00 C ATOM 93 C ILE A 10 -8.480 32.516 -0.065 1.00 0.00 C ATOM 94 O ILE A 10 -9.088 31.461 -0.245 1.00 0.00 O ATOM 95 CB ILE A 10 -9.571 33.029 2.121 1.00 0.00 C ATOM 96 CG1 ILE A 10 -10.152 34.126 3.015 1.00 0.00 C ATOM 97 CG2 ILE A 10 -8.435 32.307 2.829 1.00 0.00 C ATOM 98 CD1 ILE A 10 -11.225 33.631 3.959 1.00 0.00 C ATOM 0 H ILE A 10 -11.073 33.880 0.192 1.00 0.00 H new ATOM 0 HA ILE A 10 -8.313 34.375 0.999 1.00 0.00 H new ATOM 0 HB ILE A 10 -10.358 32.305 1.908 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -9.346 34.574 3.597 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -10.568 34.914 2.386 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -8.799 31.889 3.768 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -8.063 31.503 2.194 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -7.628 33.011 3.033 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -11.591 34.462 4.562 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -12.049 33.209 3.384 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -10.809 32.864 4.613 1.00 0.00 H new ATOM 110 N PHE A 11 -7.283 32.759 -0.588 1.00 0.00 N ATOM 111 CA PHE A 11 -6.600 31.778 -1.423 1.00 0.00 C ATOM 112 C PHE A 11 -5.341 31.260 -0.735 1.00 0.00 C ATOM 113 O PHE A 11 -4.453 32.034 -0.373 1.00 0.00 O ATOM 114 CB PHE A 11 -6.240 32.392 -2.777 1.00 0.00 C ATOM 115 CG PHE A 11 -5.311 31.540 -3.594 1.00 0.00 C ATOM 116 CD1 PHE A 11 -5.796 30.466 -4.322 1.00 0.00 C ATOM 117 CD2 PHE A 11 -3.953 31.813 -3.633 1.00 0.00 C ATOM 118 CE1 PHE A 11 -4.943 29.679 -5.074 1.00 0.00 C ATOM 119 CE2 PHE A 11 -3.095 31.030 -4.383 1.00 0.00 C ATOM 120 CZ PHE A 11 -3.591 29.963 -5.105 1.00 0.00 C ATOM 0 H PHE A 11 -6.766 33.627 -0.448 1.00 0.00 H new ATOM 0 HA PHE A 11 -7.277 30.938 -1.581 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -7.155 32.564 -3.344 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -5.778 33.366 -2.614 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -6.852 30.241 -4.302 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -3.560 32.647 -3.071 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -5.333 28.843 -5.636 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -2.038 31.253 -4.404 1.00 0.00 H new ATOM 0 HZ PHE A 11 -2.923 29.351 -5.693 1.00 0.00 H new ATOM 130 N THR A 12 -5.269 29.945 -0.555 1.00 0.00 N ATOM 131 CA THR A 12 -4.120 29.323 0.091 1.00 0.00 C ATOM 132 C THR A 12 -3.323 28.481 -0.898 1.00 0.00 C ATOM 133 O THR A 12 -3.878 27.924 -1.846 1.00 0.00 O ATOM 134 CB THR A 12 -4.553 28.434 1.272 1.00 0.00 C ATOM 135 OG1 THR A 12 -5.544 27.495 0.841 1.00 0.00 O ATOM 136 CG2 THR A 12 -5.108 29.279 2.409 1.00 0.00 C ATOM 0 H THR A 12 -5.994 29.290 -0.848 1.00 0.00 H new ATOM 0 HA THR A 12 -3.492 30.131 0.465 1.00 0.00 H new ATOM 0 HB THR A 12 -3.677 27.896 1.634 1.00 0.00 H new ATOM 0 HG1 THR A 12 -5.813 26.933 1.597 1.00 0.00 H new ATOM 0 HG21 THR A 12 -5.407 28.630 3.232 1.00 0.00 H new ATOM 0 HG22 THR A 12 -4.342 29.973 2.754 1.00 0.00 H new ATOM 0 HG23 THR A 12 -5.973 29.840 2.056 1.00 0.00 H new ATOM 144 N THR A 13 -2.015 28.391 -0.672 1.00 0.00 N ATOM 145 CA THR A 13 -1.141 27.617 -1.544 1.00 0.00 C ATOM 146 C THR A 13 -1.531 26.143 -1.547 1.00 0.00 C ATOM 147 O THR A 13 -2.416 25.724 -0.799 1.00 0.00 O ATOM 148 CB THR A 13 0.334 27.745 -1.117 1.00 0.00 C ATOM 149 OG1 THR A 13 0.470 27.433 0.273 1.00 0.00 O ATOM 150 CG2 THR A 13 0.853 29.150 -1.381 1.00 0.00 C ATOM 0 H THR A 13 -1.539 28.845 0.108 1.00 0.00 H new ATOM 0 HA THR A 13 -1.258 28.023 -2.549 1.00 0.00 H new ATOM 0 HB THR A 13 0.923 27.041 -1.705 1.00 0.00 H new ATOM 0 HG1 THR A 13 1.410 27.515 0.536 1.00 0.00 H new ATOM 0 HG21 THR A 13 1.896 29.217 -1.072 1.00 0.00 H new ATOM 0 HG22 THR A 13 0.775 29.373 -2.445 1.00 0.00 H new ATOM 0 HG23 THR A 13 0.260 29.869 -0.816 1.00 0.00 H new ATOM 158 N LEU A 14 -0.867 25.362 -2.391 1.00 0.00 N ATOM 159 CA LEU A 14 -1.144 23.933 -2.490 1.00 0.00 C ATOM 160 C LEU A 14 0.089 23.112 -2.124 1.00 0.00 C ATOM 161 O LEU A 14 1.058 23.060 -2.881 1.00 0.00 O ATOM 162 CB LEU A 14 -1.605 23.580 -3.905 1.00 0.00 C ATOM 163 CG LEU A 14 -3.050 23.942 -4.250 1.00 0.00 C ATOM 164 CD1 LEU A 14 -4.019 23.157 -3.380 1.00 0.00 C ATOM 165 CD2 LEU A 14 -3.278 25.438 -4.090 1.00 0.00 C ATOM 0 H LEU A 14 -0.133 25.694 -3.017 1.00 0.00 H new ATOM 0 HA LEU A 14 -1.940 23.692 -1.785 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -0.947 24.080 -4.615 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -1.475 22.508 -4.051 1.00 0.00 H new ATOM 0 HG LEU A 14 -3.232 23.677 -5.291 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -5.042 23.428 -3.640 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -3.873 22.089 -3.545 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -3.837 23.390 -2.331 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -4.312 25.677 -4.340 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -3.077 25.728 -3.059 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -2.609 25.981 -4.757 1.00 0.00 H new ATOM 177 N SER A 15 0.043 22.471 -0.961 1.00 0.00 N ATOM 178 CA SER A 15 1.157 21.654 -0.495 1.00 0.00 C ATOM 179 C SER A 15 0.689 20.641 0.546 1.00 0.00 C ATOM 180 O SER A 15 0.330 21.006 1.666 1.00 0.00 O ATOM 181 CB SER A 15 2.255 22.540 0.097 1.00 0.00 C ATOM 182 OG SER A 15 3.012 23.165 -0.925 1.00 0.00 O ATOM 0 H SER A 15 -0.753 22.502 -0.324 1.00 0.00 H new ATOM 0 HA SER A 15 1.560 21.111 -1.350 1.00 0.00 H new ATOM 0 HB2 SER A 15 1.808 23.299 0.739 1.00 0.00 H new ATOM 0 HB3 SER A 15 2.913 21.939 0.725 1.00 0.00 H new ATOM 0 HG SER A 15 2.490 23.182 -1.754 1.00 0.00 H new ATOM 188 N CYS A 16 0.697 19.368 0.168 1.00 0.00 N ATOM 189 CA CYS A 16 0.273 18.300 1.067 1.00 0.00 C ATOM 190 C CYS A 16 0.908 16.971 0.671 1.00 0.00 C ATOM 191 O CYS A 16 1.572 16.873 -0.360 1.00 0.00 O ATOM 192 CB CYS A 16 -1.251 18.174 1.059 1.00 0.00 C ATOM 193 SG CYS A 16 -1.936 17.606 -0.515 1.00 0.00 S ATOM 0 H CYS A 16 0.992 19.050 -0.755 1.00 0.00 H new ATOM 0 HA CYS A 16 0.604 18.553 2.074 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -1.552 17.481 1.845 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -1.686 19.143 1.304 1.00 0.00 H new ATOM 0 HG CYS A 16 -1.535 16.392 -0.750 1.00 0.00 H new ATOM 199 N GLU A 17 0.700 15.952 1.499 1.00 0.00 N ATOM 200 CA GLU A 17 1.255 14.630 1.235 1.00 0.00 C ATOM 201 C GLU A 17 0.643 14.024 -0.025 1.00 0.00 C ATOM 202 O GLU A 17 -0.462 14.376 -0.440 1.00 0.00 O ATOM 203 CB GLU A 17 1.013 13.703 2.429 1.00 0.00 C ATOM 204 CG GLU A 17 1.891 14.015 3.629 1.00 0.00 C ATOM 205 CD GLU A 17 1.356 15.165 4.460 1.00 0.00 C ATOM 206 OE1 GLU A 17 0.120 15.270 4.604 1.00 0.00 O ATOM 207 OE2 GLU A 17 2.175 15.961 4.967 1.00 0.00 O ATOM 0 H GLU A 17 0.152 16.017 2.357 1.00 0.00 H new ATOM 0 HA GLU A 17 2.328 14.739 1.080 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -0.033 13.773 2.727 1.00 0.00 H new ATOM 0 HB3 GLU A 17 1.188 12.673 2.120 1.00 0.00 H new ATOM 0 HG2 GLU A 17 1.973 13.127 4.255 1.00 0.00 H new ATOM 0 HG3 GLU A 17 2.897 14.257 3.286 1.00 0.00 H new ATOM 214 N PRO A 18 1.377 13.091 -0.649 1.00 0.00 N ATOM 215 CA PRO A 18 0.927 12.416 -1.870 1.00 0.00 C ATOM 216 C PRO A 18 -0.239 11.467 -1.612 1.00 0.00 C ATOM 217 O PRO A 18 -0.248 10.735 -0.623 1.00 0.00 O ATOM 218 CB PRO A 18 2.164 11.634 -2.319 1.00 0.00 C ATOM 219 CG PRO A 18 2.947 11.414 -1.071 1.00 0.00 C ATOM 220 CD PRO A 18 2.702 12.622 -0.210 1.00 0.00 C ATOM 0 HA PRO A 18 0.559 13.122 -2.614 1.00 0.00 H new ATOM 0 HB2 PRO A 18 1.887 10.688 -2.784 1.00 0.00 H new ATOM 0 HB3 PRO A 18 2.741 12.194 -3.055 1.00 0.00 H new ATOM 0 HG2 PRO A 18 2.627 10.503 -0.565 1.00 0.00 H new ATOM 0 HG3 PRO A 18 4.008 11.301 -1.291 1.00 0.00 H new ATOM 0 HD2 PRO A 18 2.707 12.368 0.850 1.00 0.00 H new ATOM 0 HD3 PRO A 18 3.467 13.384 -0.359 1.00 0.00 H new ATOM 228 N ASP A 19 -1.219 11.485 -2.509 1.00 0.00 N ATOM 229 CA ASP A 19 -2.389 10.625 -2.379 1.00 0.00 C ATOM 230 C ASP A 19 -2.009 9.277 -1.774 1.00 0.00 C ATOM 231 O ASP A 19 -0.877 8.816 -1.924 1.00 0.00 O ATOM 232 CB ASP A 19 -3.050 10.418 -3.743 1.00 0.00 C ATOM 233 CG ASP A 19 -2.061 10.520 -4.887 1.00 0.00 C ATOM 234 OD1 ASP A 19 -1.225 9.603 -5.031 1.00 0.00 O ATOM 235 OD2 ASP A 19 -2.122 11.516 -5.638 1.00 0.00 O ATOM 0 H ASP A 19 -1.226 12.085 -3.333 1.00 0.00 H new ATOM 0 HA ASP A 19 -3.097 11.115 -1.711 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -3.529 9.439 -3.767 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -3.836 11.161 -3.879 1.00 0.00 H new ATOM 240 N ILE A 20 -2.961 8.651 -1.090 1.00 0.00 N ATOM 241 CA ILE A 20 -2.724 7.357 -0.463 1.00 0.00 C ATOM 242 C ILE A 20 -2.701 6.240 -1.501 1.00 0.00 C ATOM 243 O ILE A 20 -3.674 6.004 -2.218 1.00 0.00 O ATOM 244 CB ILE A 20 -3.799 7.039 0.593 1.00 0.00 C ATOM 245 CG1 ILE A 20 -3.721 8.039 1.749 1.00 0.00 C ATOM 246 CG2 ILE A 20 -3.634 5.616 1.105 1.00 0.00 C ATOM 247 CD1 ILE A 20 -4.976 8.086 2.592 1.00 0.00 C ATOM 0 H ILE A 20 -3.903 9.019 -0.956 1.00 0.00 H new ATOM 0 HA ILE A 20 -1.752 7.416 0.026 1.00 0.00 H new ATOM 0 HB ILE A 20 -4.781 7.126 0.128 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -2.875 7.781 2.386 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -3.526 9.033 1.347 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -4.401 5.406 1.851 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -3.734 4.917 0.275 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -2.648 5.504 1.557 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -4.850 8.816 3.392 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -5.823 8.374 1.969 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -5.161 7.102 3.024 1.00 0.00 H new ATOM 259 N PRO A 21 -1.564 5.532 -1.583 1.00 0.00 N ATOM 260 CA PRO A 21 -1.387 4.426 -2.528 1.00 0.00 C ATOM 261 C PRO A 21 -2.232 3.210 -2.162 1.00 0.00 C ATOM 262 O PRO A 21 -2.363 2.864 -0.989 1.00 0.00 O ATOM 263 CB PRO A 21 0.103 4.095 -2.412 1.00 0.00 C ATOM 264 CG PRO A 21 0.487 4.553 -1.047 1.00 0.00 C ATOM 265 CD PRO A 21 -0.365 5.758 -0.759 1.00 0.00 C ATOM 0 HA PRO A 21 -1.700 4.698 -3.536 1.00 0.00 H new ATOM 0 HB2 PRO A 21 0.282 3.027 -2.536 1.00 0.00 H new ATOM 0 HB3 PRO A 21 0.683 4.607 -3.179 1.00 0.00 H new ATOM 0 HG2 PRO A 21 0.315 3.769 -0.310 1.00 0.00 H new ATOM 0 HG3 PRO A 21 1.547 4.805 -1.004 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -0.613 5.831 0.300 1.00 0.00 H new ATOM 0 HD3 PRO A 21 0.142 6.683 -1.032 1.00 0.00 H new ATOM 273 N ASN A 22 -2.803 2.566 -3.175 1.00 0.00 N ATOM 274 CA ASN A 22 -3.636 1.389 -2.959 1.00 0.00 C ATOM 275 C ASN A 22 -2.883 0.328 -2.163 1.00 0.00 C ATOM 276 O ASN A 22 -1.654 0.256 -2.184 1.00 0.00 O ATOM 277 CB ASN A 22 -4.092 0.808 -4.299 1.00 0.00 C ATOM 278 CG ASN A 22 -4.425 1.886 -5.313 1.00 0.00 C ATOM 279 OD1 ASN A 22 -4.881 2.971 -4.954 1.00 0.00 O ATOM 280 ND2 ASN A 22 -4.198 1.590 -6.587 1.00 0.00 N ATOM 0 H ASN A 22 -2.704 2.839 -4.153 1.00 0.00 H new ATOM 0 HA ASN A 22 -4.511 1.695 -2.386 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -3.307 0.166 -4.700 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -4.968 0.179 -4.140 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -4.403 2.275 -7.314 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -3.819 0.677 -6.839 1.00 0.00 H new ATOM 287 N PRO A 23 -3.636 -0.517 -1.443 1.00 0.00 N ATOM 288 CA PRO A 23 -3.061 -1.591 -0.627 1.00 0.00 C ATOM 289 C PRO A 23 -2.451 -2.701 -1.475 1.00 0.00 C ATOM 290 O PRO A 23 -2.923 -3.009 -2.570 1.00 0.00 O ATOM 291 CB PRO A 23 -4.261 -2.118 0.162 1.00 0.00 C ATOM 292 CG PRO A 23 -5.445 -1.782 -0.678 1.00 0.00 C ATOM 293 CD PRO A 23 -5.106 -0.491 -1.371 1.00 0.00 C ATOM 0 HA PRO A 23 -2.245 -1.233 0.001 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -4.185 -3.193 0.327 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -4.326 -1.649 1.144 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -5.648 -2.572 -1.401 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -6.340 -1.673 -0.066 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -5.556 -0.437 -2.362 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -5.465 0.372 -0.811 1.00 0.00 H new ATOM 301 N PRO A 24 -1.377 -3.319 -0.960 1.00 0.00 N ATOM 302 CA PRO A 24 -0.681 -4.406 -1.655 1.00 0.00 C ATOM 303 C PRO A 24 -1.511 -5.684 -1.711 1.00 0.00 C ATOM 304 O PRO A 24 -2.325 -5.946 -0.825 1.00 0.00 O ATOM 305 CB PRO A 24 0.575 -4.621 -0.807 1.00 0.00 C ATOM 306 CG PRO A 24 0.202 -4.139 0.552 1.00 0.00 C ATOM 307 CD PRO A 24 -0.761 -3.004 0.339 1.00 0.00 C ATOM 0 HA PRO A 24 -0.473 -4.157 -2.696 1.00 0.00 H new ATOM 0 HB2 PRO A 24 0.865 -5.672 -0.789 1.00 0.00 H new ATOM 0 HB3 PRO A 24 1.422 -4.063 -1.206 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -0.258 -4.936 1.136 1.00 0.00 H new ATOM 0 HG3 PRO A 24 1.082 -3.806 1.103 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -1.504 -2.953 1.135 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -0.250 -2.042 0.318 1.00 0.00 H new ATOM 315 N ARG A 25 -1.300 -6.476 -2.757 1.00 0.00 N ATOM 316 CA ARG A 25 -2.030 -7.727 -2.928 1.00 0.00 C ATOM 317 C ARG A 25 -1.094 -8.925 -2.795 1.00 0.00 C ATOM 318 O ARG A 25 0.124 -8.767 -2.708 1.00 0.00 O ATOM 319 CB ARG A 25 -2.722 -7.755 -4.292 1.00 0.00 C ATOM 320 CG ARG A 25 -1.792 -7.444 -5.453 1.00 0.00 C ATOM 321 CD ARG A 25 -2.570 -7.168 -6.730 1.00 0.00 C ATOM 322 NE ARG A 25 -1.714 -6.640 -7.789 1.00 0.00 N ATOM 323 CZ ARG A 25 -2.173 -6.194 -8.953 1.00 0.00 C ATOM 324 NH1 ARG A 25 -3.475 -6.211 -9.205 1.00 0.00 N ATOM 325 NH2 ARG A 25 -1.331 -5.729 -9.866 1.00 0.00 N ATOM 0 H ARG A 25 -0.630 -6.274 -3.499 1.00 0.00 H new ATOM 0 HA ARG A 25 -2.785 -7.789 -2.144 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -3.164 -8.739 -4.445 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -3.540 -7.035 -4.290 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -1.177 -6.579 -5.206 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -1.114 -8.282 -5.612 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -3.044 -8.088 -7.072 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -3.369 -6.457 -6.521 1.00 0.00 H new ATOM 0 HE ARG A 25 -0.708 -6.612 -7.626 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -4.125 -6.567 -8.505 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -3.826 -5.868 -10.099 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -0.329 -5.713 -9.675 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -1.685 -5.387 -10.759 1.00 0.00 H new ATOM 339 N ILE A 26 -1.672 -10.121 -2.780 1.00 0.00 N ATOM 340 CA ILE A 26 -0.890 -11.345 -2.658 1.00 0.00 C ATOM 341 C ILE A 26 -0.653 -11.984 -4.023 1.00 0.00 C ATOM 342 O ILE A 26 -1.598 -12.340 -4.725 1.00 0.00 O ATOM 343 CB ILE A 26 -1.584 -12.368 -1.739 1.00 0.00 C ATOM 344 CG1 ILE A 26 -1.255 -12.075 -0.274 1.00 0.00 C ATOM 345 CG2 ILE A 26 -1.165 -13.783 -2.109 1.00 0.00 C ATOM 346 CD1 ILE A 26 0.190 -12.343 0.086 1.00 0.00 C ATOM 0 H ILE A 26 -2.679 -10.269 -2.851 1.00 0.00 H new ATOM 0 HA ILE A 26 0.067 -11.065 -2.219 1.00 0.00 H new ATOM 0 HB ILE A 26 -2.662 -12.283 -1.874 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -1.487 -11.032 -0.060 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -1.898 -12.682 0.363 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -1.664 -14.494 -1.451 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -1.445 -13.987 -3.142 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -0.085 -13.883 -1.999 1.00 0.00 H new ATOM 0 HD11 ILE A 26 0.351 -12.114 1.139 1.00 0.00 H new ATOM 0 HD12 ILE A 26 0.422 -13.392 -0.096 1.00 0.00 H new ATOM 0 HD13 ILE A 26 0.839 -11.716 -0.525 1.00 0.00 H new ATOM 358 N ALA A 27 0.616 -12.127 -4.390 1.00 0.00 N ATOM 359 CA ALA A 27 0.978 -12.726 -5.669 1.00 0.00 C ATOM 360 C ALA A 27 1.607 -14.101 -5.472 1.00 0.00 C ATOM 361 O ALA A 27 1.727 -14.880 -6.416 1.00 0.00 O ATOM 362 CB ALA A 27 1.928 -11.813 -6.430 1.00 0.00 C ATOM 0 H ALA A 27 1.410 -11.836 -3.820 1.00 0.00 H new ATOM 0 HA ALA A 27 0.067 -12.852 -6.254 1.00 0.00 H new ATOM 0 HB1 ALA A 27 2.190 -12.273 -7.383 1.00 0.00 H new ATOM 0 HB2 ALA A 27 1.443 -10.854 -6.611 1.00 0.00 H new ATOM 0 HB3 ALA A 27 2.832 -11.657 -5.842 1.00 0.00 H new ATOM 368 N ASN A 28 2.009 -14.392 -4.239 1.00 0.00 N ATOM 369 CA ASN A 28 2.627 -15.673 -3.918 1.00 0.00 C ATOM 370 C ASN A 28 2.882 -15.795 -2.419 1.00 0.00 C ATOM 371 O ASN A 28 3.694 -15.061 -1.856 1.00 0.00 O ATOM 372 CB ASN A 28 3.941 -15.835 -4.685 1.00 0.00 C ATOM 373 CG ASN A 28 4.470 -17.255 -4.635 1.00 0.00 C ATOM 374 OD1 ASN A 28 4.388 -17.995 -5.615 1.00 0.00 O ATOM 375 ND2 ASN A 28 5.015 -17.643 -3.487 1.00 0.00 N ATOM 0 H ASN A 28 1.918 -13.758 -3.446 1.00 0.00 H new ATOM 0 HA ASN A 28 1.939 -16.464 -4.216 1.00 0.00 H new ATOM 0 HB2 ASN A 28 3.790 -15.543 -5.724 1.00 0.00 H new ATOM 0 HB3 ASN A 28 4.687 -15.158 -4.269 1.00 0.00 H new ATOM 0 HD21 ASN A 28 5.387 -18.588 -3.393 1.00 0.00 H new ATOM 0 HD22 ASN A 28 5.062 -16.996 -2.700 1.00 0.00 H new ATOM 382 N ARG A 29 2.183 -16.727 -1.779 1.00 0.00 N ATOM 383 CA ARG A 29 2.334 -16.944 -0.345 1.00 0.00 C ATOM 384 C ARG A 29 2.544 -18.424 -0.039 1.00 0.00 C ATOM 385 O ARG A 29 1.939 -19.292 -0.669 1.00 0.00 O ATOM 386 CB ARG A 29 1.103 -16.427 0.402 1.00 0.00 C ATOM 387 CG ARG A 29 -0.184 -17.141 0.023 1.00 0.00 C ATOM 388 CD ARG A 29 -1.383 -16.554 0.752 1.00 0.00 C ATOM 389 NE ARG A 29 -2.585 -17.363 0.569 1.00 0.00 N ATOM 390 CZ ARG A 29 -3.787 -17.002 1.005 1.00 0.00 C ATOM 391 NH1 ARG A 29 -3.946 -15.852 1.644 1.00 0.00 N ATOM 392 NH2 ARG A 29 -4.833 -17.793 0.800 1.00 0.00 N ATOM 0 H ARG A 29 1.507 -17.343 -2.230 1.00 0.00 H new ATOM 0 HA ARG A 29 3.212 -16.393 -0.009 1.00 0.00 H new ATOM 0 HB2 ARG A 29 1.267 -16.536 1.474 1.00 0.00 H new ATOM 0 HB3 ARG A 29 0.989 -15.361 0.204 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -0.339 -17.067 -1.053 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -0.096 -18.201 0.260 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -1.158 -16.475 1.816 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -1.568 -15.543 0.390 1.00 0.00 H new ATOM 0 HE ARG A 29 -2.497 -18.254 0.080 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -3.144 -15.241 1.802 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -4.870 -15.577 1.978 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -4.714 -18.678 0.308 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -5.756 -17.516 1.135 1.00 0.00 H new ATOM 406 N THR A 30 3.406 -18.705 0.934 1.00 0.00 N ATOM 407 CA THR A 30 3.697 -20.079 1.323 1.00 0.00 C ATOM 408 C THR A 30 3.453 -20.292 2.812 1.00 0.00 C ATOM 409 O THR A 30 3.044 -19.374 3.523 1.00 0.00 O ATOM 410 CB THR A 30 5.153 -20.459 0.994 1.00 0.00 C ATOM 411 OG1 THR A 30 6.020 -20.044 2.056 1.00 0.00 O ATOM 412 CG2 THR A 30 5.599 -19.817 -0.311 1.00 0.00 C ATOM 0 H THR A 30 3.914 -17.999 1.467 1.00 0.00 H new ATOM 0 HA THR A 30 3.024 -20.719 0.752 1.00 0.00 H new ATOM 0 HB THR A 30 5.206 -21.542 0.884 1.00 0.00 H new ATOM 0 HG1 THR A 30 6.943 -20.291 1.840 1.00 0.00 H new ATOM 0 HG21 THR A 30 6.630 -20.100 -0.522 1.00 0.00 H new ATOM 0 HG22 THR A 30 4.956 -20.158 -1.123 1.00 0.00 H new ATOM 0 HG23 THR A 30 5.531 -18.733 -0.225 1.00 0.00 H new ATOM 420 N LYS A 31 3.706 -21.510 3.280 1.00 0.00 N ATOM 421 CA LYS A 31 3.515 -21.844 4.686 1.00 0.00 C ATOM 422 C LYS A 31 4.441 -21.017 5.573 1.00 0.00 C ATOM 423 O LYS A 31 4.130 -20.752 6.733 1.00 0.00 O ATOM 424 CB LYS A 31 3.770 -23.336 4.916 1.00 0.00 C ATOM 425 CG LYS A 31 2.974 -24.239 3.989 1.00 0.00 C ATOM 426 CD LYS A 31 1.622 -24.596 4.584 1.00 0.00 C ATOM 427 CE LYS A 31 0.960 -25.732 3.820 1.00 0.00 C ATOM 428 NZ LYS A 31 1.637 -27.035 4.066 1.00 0.00 N ATOM 0 H LYS A 31 4.044 -22.282 2.705 1.00 0.00 H new ATOM 0 HA LYS A 31 2.484 -21.612 4.952 1.00 0.00 H new ATOM 0 HB2 LYS A 31 4.833 -23.539 4.783 1.00 0.00 H new ATOM 0 HB3 LYS A 31 3.525 -23.583 5.949 1.00 0.00 H new ATOM 0 HG2 LYS A 31 2.831 -23.742 3.030 1.00 0.00 H new ATOM 0 HG3 LYS A 31 3.539 -25.151 3.794 1.00 0.00 H new ATOM 0 HD2 LYS A 31 1.747 -24.883 5.628 1.00 0.00 H new ATOM 0 HD3 LYS A 31 0.974 -23.720 4.569 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -0.087 -25.806 4.114 1.00 0.00 H new ATOM 0 HE3 LYS A 31 0.977 -25.510 2.753 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 1.031 -27.810 3.729 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 2.543 -27.057 3.556 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 1.811 -27.149 5.085 1.00 0.00 H new ATOM 442 N ASN A 32 5.578 -20.612 5.018 1.00 0.00 N ATOM 443 CA ASN A 32 6.548 -19.813 5.758 1.00 0.00 C ATOM 444 C ASN A 32 7.056 -18.651 4.911 1.00 0.00 C ATOM 445 O ASN A 32 8.253 -18.366 4.884 1.00 0.00 O ATOM 446 CB ASN A 32 7.723 -20.686 6.204 1.00 0.00 C ATOM 447 CG ASN A 32 7.283 -22.069 6.641 1.00 0.00 C ATOM 448 OD1 ASN A 32 7.823 -23.078 6.185 1.00 0.00 O ATOM 449 ND2 ASN A 32 6.297 -22.123 7.530 1.00 0.00 N ATOM 0 H ASN A 32 5.851 -20.824 4.058 1.00 0.00 H new ATOM 0 HA ASN A 32 6.051 -19.406 6.638 1.00 0.00 H new ATOM 0 HB2 ASN A 32 8.436 -20.777 5.385 1.00 0.00 H new ATOM 0 HB3 ASN A 32 8.244 -20.197 7.027 1.00 0.00 H new ATOM 0 HD21 ASN A 32 5.958 -23.026 7.862 1.00 0.00 H new ATOM 0 HD22 ASN A 32 5.879 -21.261 7.881 1.00 0.00 H new ATOM 456 N SER A 33 6.137 -17.983 4.221 1.00 0.00 N ATOM 457 CA SER A 33 6.492 -16.853 3.370 1.00 0.00 C ATOM 458 C SER A 33 5.244 -16.101 2.917 1.00 0.00 C ATOM 459 O SER A 33 4.128 -16.617 3.003 1.00 0.00 O ATOM 460 CB SER A 33 7.282 -17.333 2.151 1.00 0.00 C ATOM 461 OG SER A 33 7.746 -16.238 1.381 1.00 0.00 O ATOM 0 H SER A 33 5.141 -18.205 4.235 1.00 0.00 H new ATOM 0 HA SER A 33 7.114 -16.173 3.952 1.00 0.00 H new ATOM 0 HB2 SER A 33 8.129 -17.937 2.477 1.00 0.00 H new ATOM 0 HB3 SER A 33 6.652 -17.974 1.535 1.00 0.00 H new ATOM 0 HG SER A 33 7.258 -16.205 0.532 1.00 0.00 H new ATOM 467 N LEU A 34 5.440 -14.879 2.435 1.00 0.00 N ATOM 468 CA LEU A 34 4.331 -14.054 1.968 1.00 0.00 C ATOM 469 C LEU A 34 4.819 -12.986 0.994 1.00 0.00 C ATOM 470 O LEU A 34 5.536 -12.062 1.377 1.00 0.00 O ATOM 471 CB LEU A 34 3.625 -13.394 3.154 1.00 0.00 C ATOM 472 CG LEU A 34 2.447 -14.167 3.748 1.00 0.00 C ATOM 473 CD1 LEU A 34 2.012 -13.545 5.066 1.00 0.00 C ATOM 474 CD2 LEU A 34 1.286 -14.207 2.766 1.00 0.00 C ATOM 0 H LEU A 34 6.356 -14.437 2.357 1.00 0.00 H new ATOM 0 HA LEU A 34 3.625 -14.700 1.446 1.00 0.00 H new ATOM 0 HB2 LEU A 34 4.360 -13.228 3.942 1.00 0.00 H new ATOM 0 HB3 LEU A 34 3.269 -12.413 2.839 1.00 0.00 H new ATOM 0 HG LEU A 34 2.768 -15.191 3.941 1.00 0.00 H new ATOM 0 HD11 LEU A 34 1.173 -14.108 5.474 1.00 0.00 H new ATOM 0 HD12 LEU A 34 2.843 -13.569 5.771 1.00 0.00 H new ATOM 0 HD13 LEU A 34 1.708 -12.512 4.898 1.00 0.00 H new ATOM 0 HD21 LEU A 34 0.457 -14.761 3.206 1.00 0.00 H new ATOM 0 HD22 LEU A 34 0.964 -13.190 2.541 1.00 0.00 H new ATOM 0 HD23 LEU A 34 1.604 -14.699 1.847 1.00 0.00 H new ATOM 486 N THR A 35 4.424 -13.119 -0.269 1.00 0.00 N ATOM 487 CA THR A 35 4.820 -12.166 -1.298 1.00 0.00 C ATOM 488 C THR A 35 3.716 -11.148 -1.558 1.00 0.00 C ATOM 489 O THR A 35 2.589 -11.511 -1.900 1.00 0.00 O ATOM 490 CB THR A 35 5.168 -12.878 -2.619 1.00 0.00 C ATOM 491 OG1 THR A 35 6.021 -13.999 -2.361 1.00 0.00 O ATOM 492 CG2 THR A 35 5.853 -11.923 -3.584 1.00 0.00 C ATOM 0 H THR A 35 3.830 -13.878 -0.603 1.00 0.00 H new ATOM 0 HA THR A 35 5.706 -11.650 -0.928 1.00 0.00 H new ATOM 0 HB THR A 35 4.241 -13.226 -3.075 1.00 0.00 H new ATOM 0 HG1 THR A 35 5.478 -14.768 -2.088 1.00 0.00 H new ATOM 0 HG21 THR A 35 6.089 -12.448 -4.509 1.00 0.00 H new ATOM 0 HG22 THR A 35 5.189 -11.086 -3.801 1.00 0.00 H new ATOM 0 HG23 THR A 35 6.773 -11.549 -3.134 1.00 0.00 H new ATOM 500 N LEU A 36 4.045 -9.871 -1.395 1.00 0.00 N ATOM 501 CA LEU A 36 3.080 -8.798 -1.613 1.00 0.00 C ATOM 502 C LEU A 36 3.547 -7.865 -2.726 1.00 0.00 C ATOM 503 O LEU A 36 4.715 -7.482 -2.778 1.00 0.00 O ATOM 504 CB LEU A 36 2.869 -8.006 -0.322 1.00 0.00 C ATOM 505 CG LEU A 36 2.399 -8.810 0.890 1.00 0.00 C ATOM 506 CD1 LEU A 36 2.903 -8.178 2.178 1.00 0.00 C ATOM 507 CD2 LEU A 36 0.881 -8.916 0.905 1.00 0.00 C ATOM 0 H LEU A 36 4.972 -9.553 -1.113 1.00 0.00 H new ATOM 0 HA LEU A 36 2.134 -9.248 -1.914 1.00 0.00 H new ATOM 0 HB2 LEU A 36 3.807 -7.513 -0.064 1.00 0.00 H new ATOM 0 HB3 LEU A 36 2.139 -7.220 -0.517 1.00 0.00 H new ATOM 0 HG LEU A 36 2.813 -9.816 0.816 1.00 0.00 H new ATOM 0 HD11 LEU A 36 2.558 -8.764 3.030 1.00 0.00 H new ATOM 0 HD12 LEU A 36 3.993 -8.155 2.170 1.00 0.00 H new ATOM 0 HD13 LEU A 36 2.520 -7.161 2.259 1.00 0.00 H new ATOM 0 HD21 LEU A 36 0.565 -9.492 1.775 1.00 0.00 H new ATOM 0 HD22 LEU A 36 0.447 -7.917 0.954 1.00 0.00 H new ATOM 0 HD23 LEU A 36 0.542 -9.415 -0.003 1.00 0.00 H new ATOM 519 N GLN A 37 2.625 -7.503 -3.612 1.00 0.00 N ATOM 520 CA GLN A 37 2.942 -6.613 -4.723 1.00 0.00 C ATOM 521 C GLN A 37 2.023 -5.396 -4.725 1.00 0.00 C ATOM 522 O GLN A 37 0.830 -5.506 -4.441 1.00 0.00 O ATOM 523 CB GLN A 37 2.821 -7.360 -6.053 1.00 0.00 C ATOM 524 CG GLN A 37 3.968 -8.323 -6.316 1.00 0.00 C ATOM 525 CD GLN A 37 4.065 -8.731 -7.772 1.00 0.00 C ATOM 526 OE1 GLN A 37 3.298 -8.260 -8.613 1.00 0.00 O ATOM 527 NE2 GLN A 37 5.011 -9.610 -8.079 1.00 0.00 N ATOM 0 H GLN A 37 1.653 -7.812 -3.582 1.00 0.00 H new ATOM 0 HA GLN A 37 3.969 -6.270 -4.599 1.00 0.00 H new ATOM 0 HB2 GLN A 37 1.882 -7.914 -6.065 1.00 0.00 H new ATOM 0 HB3 GLN A 37 2.773 -6.634 -6.865 1.00 0.00 H new ATOM 0 HG2 GLN A 37 4.905 -7.858 -6.010 1.00 0.00 H new ATOM 0 HG3 GLN A 37 3.838 -9.213 -5.701 1.00 0.00 H new ATOM 0 HE21 GLN A 37 5.625 -9.974 -7.350 1.00 0.00 H new ATOM 0 HE22 GLN A 37 5.124 -9.921 -9.044 1.00 0.00 H new ATOM 536 N TRP A 38 2.586 -4.237 -5.046 1.00 0.00 N ATOM 537 CA TRP A 38 1.817 -2.998 -5.084 1.00 0.00 C ATOM 538 C TRP A 38 2.312 -2.084 -6.199 1.00 0.00 C ATOM 539 O TRP A 38 3.383 -2.302 -6.765 1.00 0.00 O ATOM 540 CB TRP A 38 1.906 -2.276 -3.738 1.00 0.00 C ATOM 541 CG TRP A 38 3.312 -1.965 -3.324 1.00 0.00 C ATOM 542 CD1 TRP A 38 4.001 -0.810 -3.562 1.00 0.00 C ATOM 543 CD2 TRP A 38 4.202 -2.822 -2.600 1.00 0.00 C ATOM 544 NE1 TRP A 38 5.264 -0.898 -3.030 1.00 0.00 N ATOM 545 CE2 TRP A 38 5.412 -2.122 -2.433 1.00 0.00 C ATOM 546 CE3 TRP A 38 4.093 -4.112 -2.074 1.00 0.00 C ATOM 547 CZ2 TRP A 38 6.504 -2.670 -1.765 1.00 0.00 C ATOM 548 CZ3 TRP A 38 5.177 -4.655 -1.411 1.00 0.00 C ATOM 549 CH2 TRP A 38 6.369 -3.935 -1.260 1.00 0.00 C ATOM 0 H TRP A 38 3.572 -4.129 -5.284 1.00 0.00 H new ATOM 0 HA TRP A 38 0.776 -3.252 -5.283 1.00 0.00 H new ATOM 0 HB2 TRP A 38 1.337 -1.348 -3.793 1.00 0.00 H new ATOM 0 HB3 TRP A 38 1.437 -2.892 -2.971 1.00 0.00 H new ATOM 0 HD1 TRP A 38 3.610 0.047 -4.091 1.00 0.00 H new ATOM 0 HE1 TRP A 38 5.977 -0.170 -3.073 1.00 0.00 H new ATOM 0 HE3 TRP A 38 3.178 -4.675 -2.184 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 7.424 -2.117 -1.650 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 5.104 -5.652 -1.002 1.00 0.00 H new ATOM 0 HH2 TRP A 38 7.198 -4.387 -0.735 1.00 0.00 H new ATOM 560 N LYS A 39 1.525 -1.059 -6.511 1.00 0.00 N ATOM 561 CA LYS A 39 1.884 -0.110 -7.558 1.00 0.00 C ATOM 562 C LYS A 39 2.204 1.259 -6.966 1.00 0.00 C ATOM 563 O LYS A 39 2.109 1.459 -5.755 1.00 0.00 O ATOM 564 CB LYS A 39 0.746 0.016 -8.573 1.00 0.00 C ATOM 565 CG LYS A 39 -0.445 0.805 -8.057 1.00 0.00 C ATOM 566 CD LYS A 39 -1.627 0.715 -9.007 1.00 0.00 C ATOM 567 CE LYS A 39 -2.520 1.942 -8.903 1.00 0.00 C ATOM 568 NZ LYS A 39 -2.069 3.035 -9.809 1.00 0.00 N ATOM 0 H LYS A 39 0.634 -0.865 -6.053 1.00 0.00 H new ATOM 0 HA LYS A 39 2.774 -0.485 -8.063 1.00 0.00 H new ATOM 0 HB2 LYS A 39 1.126 0.496 -9.475 1.00 0.00 H new ATOM 0 HB3 LYS A 39 0.414 -0.982 -8.859 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -0.735 0.428 -7.077 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -0.161 1.849 -7.925 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -1.266 0.612 -10.030 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -2.208 -0.179 -8.783 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -3.546 1.667 -9.149 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -2.524 2.302 -7.874 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -2.703 3.853 -9.709 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -1.099 3.316 -9.558 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -2.089 2.700 -10.793 1.00 0.00 H new ATOM 582 N ALA A 40 2.582 2.198 -7.827 1.00 0.00 N ATOM 583 CA ALA A 40 2.913 3.548 -7.388 1.00 0.00 C ATOM 584 C ALA A 40 1.726 4.489 -7.565 1.00 0.00 C ATOM 585 O ALA A 40 1.074 4.515 -8.610 1.00 0.00 O ATOM 586 CB ALA A 40 4.121 4.070 -8.151 1.00 0.00 C ATOM 0 H ALA A 40 2.667 2.049 -8.832 1.00 0.00 H new ATOM 0 HA ALA A 40 3.157 3.509 -6.326 1.00 0.00 H new ATOM 0 HB1 ALA A 40 4.357 5.079 -7.813 1.00 0.00 H new ATOM 0 HB2 ALA A 40 4.975 3.418 -7.970 1.00 0.00 H new ATOM 0 HB3 ALA A 40 3.898 4.088 -9.218 1.00 0.00 H new ATOM 592 N PRO A 41 1.435 5.279 -6.522 1.00 0.00 N ATOM 593 CA PRO A 41 0.325 6.236 -6.538 1.00 0.00 C ATOM 594 C PRO A 41 0.583 7.407 -7.480 1.00 0.00 C ATOM 595 O PRO A 41 1.465 7.346 -8.336 1.00 0.00 O ATOM 596 CB PRO A 41 0.253 6.721 -5.088 1.00 0.00 C ATOM 597 CG PRO A 41 1.629 6.522 -4.553 1.00 0.00 C ATOM 598 CD PRO A 41 2.169 5.301 -5.245 1.00 0.00 C ATOM 0 HA PRO A 41 -0.599 5.782 -6.896 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -0.045 7.768 -5.035 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -0.480 6.152 -4.516 1.00 0.00 H new ATOM 0 HG2 PRO A 41 2.255 7.392 -4.752 1.00 0.00 H new ATOM 0 HG3 PRO A 41 1.611 6.382 -3.472 1.00 0.00 H new ATOM 0 HD2 PRO A 41 3.245 5.371 -5.402 1.00 0.00 H new ATOM 0 HD3 PRO A 41 1.990 4.397 -4.663 1.00 0.00 H new ATOM 606 N SER A 42 -0.193 8.475 -7.316 1.00 0.00 N ATOM 607 CA SER A 42 -0.050 9.659 -8.154 1.00 0.00 C ATOM 608 C SER A 42 0.876 10.680 -7.499 1.00 0.00 C ATOM 609 O SER A 42 0.537 11.275 -6.476 1.00 0.00 O ATOM 610 CB SER A 42 -1.418 10.291 -8.417 1.00 0.00 C ATOM 611 OG SER A 42 -2.056 9.682 -9.527 1.00 0.00 O ATOM 0 H SER A 42 -0.927 8.544 -6.611 1.00 0.00 H new ATOM 0 HA SER A 42 0.390 9.351 -9.103 1.00 0.00 H new ATOM 0 HB2 SER A 42 -2.046 10.189 -7.532 1.00 0.00 H new ATOM 0 HB3 SER A 42 -1.299 11.359 -8.602 1.00 0.00 H new ATOM 0 HG SER A 42 -2.929 10.102 -9.674 1.00 0.00 H new ATOM 617 N ASP A 43 2.047 10.875 -8.096 1.00 0.00 N ATOM 618 CA ASP A 43 3.023 11.824 -7.573 1.00 0.00 C ATOM 619 C ASP A 43 2.612 13.258 -7.892 1.00 0.00 C ATOM 620 O ASP A 43 2.727 13.707 -9.031 1.00 0.00 O ATOM 621 CB ASP A 43 4.408 11.535 -8.153 1.00 0.00 C ATOM 622 CG ASP A 43 4.880 10.126 -7.852 1.00 0.00 C ATOM 623 OD1 ASP A 43 4.225 9.170 -8.314 1.00 0.00 O ATOM 624 OD2 ASP A 43 5.905 9.981 -7.153 1.00 0.00 O ATOM 0 H ASP A 43 2.343 10.389 -8.942 1.00 0.00 H new ATOM 0 HA ASP A 43 3.061 11.709 -6.490 1.00 0.00 H new ATOM 0 HB2 ASP A 43 4.385 11.684 -9.232 1.00 0.00 H new ATOM 0 HB3 ASP A 43 5.125 12.249 -7.748 1.00 0.00 H new ATOM 629 N ASN A 44 2.132 13.970 -6.878 1.00 0.00 N ATOM 630 CA ASN A 44 1.702 15.353 -7.051 1.00 0.00 C ATOM 631 C ASN A 44 2.530 16.293 -6.179 1.00 0.00 C ATOM 632 O ASN A 44 2.572 16.148 -4.958 1.00 0.00 O ATOM 633 CB ASN A 44 0.218 15.495 -6.708 1.00 0.00 C ATOM 634 CG ASN A 44 -0.078 15.139 -5.264 1.00 0.00 C ATOM 635 OD1 ASN A 44 0.116 15.953 -4.361 1.00 0.00 O ATOM 636 ND2 ASN A 44 -0.550 13.919 -5.040 1.00 0.00 N ATOM 0 H ASN A 44 2.031 13.613 -5.928 1.00 0.00 H new ATOM 0 HA ASN A 44 1.854 15.627 -8.095 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -0.100 16.520 -6.899 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -0.367 14.852 -7.365 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -0.768 13.623 -4.088 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -0.695 13.277 -5.819 1.00 0.00 H new ATOM 643 N GLY A 45 3.186 17.258 -6.816 1.00 0.00 N ATOM 644 CA GLY A 45 4.003 18.208 -6.083 1.00 0.00 C ATOM 645 C GLY A 45 5.481 17.882 -6.160 1.00 0.00 C ATOM 646 O GLY A 45 6.288 18.720 -6.563 1.00 0.00 O ATOM 0 H GLY A 45 3.166 17.399 -7.826 1.00 0.00 H new ATOM 0 HA2 GLY A 45 3.834 19.209 -6.479 1.00 0.00 H new ATOM 0 HA3 GLY A 45 3.691 18.221 -5.039 1.00 0.00 H new ATOM 650 N SER A 46 5.838 16.662 -5.772 1.00 0.00 N ATOM 651 CA SER A 46 7.230 16.230 -5.794 1.00 0.00 C ATOM 652 C SER A 46 7.326 14.707 -5.777 1.00 0.00 C ATOM 653 O SER A 46 6.765 14.047 -4.902 1.00 0.00 O ATOM 654 CB SER A 46 7.986 16.813 -4.598 1.00 0.00 C ATOM 655 OG SER A 46 9.377 16.884 -4.860 1.00 0.00 O ATOM 0 H SER A 46 5.182 15.955 -5.439 1.00 0.00 H new ATOM 0 HA SER A 46 7.684 16.596 -6.715 1.00 0.00 H new ATOM 0 HB2 SER A 46 7.604 17.809 -4.372 1.00 0.00 H new ATOM 0 HB3 SER A 46 7.810 16.197 -3.717 1.00 0.00 H new ATOM 0 HG SER A 46 9.838 17.261 -4.082 1.00 0.00 H new ATOM 661 N LYS A 47 8.043 14.155 -6.750 1.00 0.00 N ATOM 662 CA LYS A 47 8.215 12.711 -6.849 1.00 0.00 C ATOM 663 C LYS A 47 8.345 12.082 -5.465 1.00 0.00 C ATOM 664 O LYS A 47 8.743 12.746 -4.507 1.00 0.00 O ATOM 665 CB LYS A 47 9.451 12.380 -7.689 1.00 0.00 C ATOM 666 CG LYS A 47 10.763 12.677 -6.983 1.00 0.00 C ATOM 667 CD LYS A 47 11.220 14.105 -7.233 1.00 0.00 C ATOM 668 CE LYS A 47 11.853 14.255 -8.608 1.00 0.00 C ATOM 669 NZ LYS A 47 13.268 13.793 -8.620 1.00 0.00 N ATOM 0 H LYS A 47 8.515 14.687 -7.482 1.00 0.00 H new ATOM 0 HA LYS A 47 7.331 12.298 -7.335 1.00 0.00 H new ATOM 0 HB2 LYS A 47 9.424 11.324 -7.959 1.00 0.00 H new ATOM 0 HB3 LYS A 47 9.411 12.948 -8.618 1.00 0.00 H new ATOM 0 HG2 LYS A 47 10.646 12.514 -5.912 1.00 0.00 H new ATOM 0 HG3 LYS A 47 11.529 11.983 -7.329 1.00 0.00 H new ATOM 0 HD2 LYS A 47 10.369 14.781 -7.147 1.00 0.00 H new ATOM 0 HD3 LYS A 47 11.938 14.398 -6.467 1.00 0.00 H new ATOM 0 HE2 LYS A 47 11.278 13.684 -9.337 1.00 0.00 H new ATOM 0 HE3 LYS A 47 11.809 15.300 -8.916 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 13.664 13.911 -9.574 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 13.822 14.355 -7.943 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 13.308 12.789 -8.351 1.00 0.00 H new ATOM 683 N ILE A 48 8.009 10.800 -5.368 1.00 0.00 N ATOM 684 CA ILE A 48 8.091 10.083 -4.102 1.00 0.00 C ATOM 685 C ILE A 48 9.498 9.544 -3.866 1.00 0.00 C ATOM 686 O ILE A 48 10.058 8.852 -4.715 1.00 0.00 O ATOM 687 CB ILE A 48 7.091 8.914 -4.052 1.00 0.00 C ATOM 688 CG1 ILE A 48 5.655 9.441 -4.070 1.00 0.00 C ATOM 689 CG2 ILE A 48 7.332 8.063 -2.814 1.00 0.00 C ATOM 690 CD1 ILE A 48 4.663 8.475 -4.680 1.00 0.00 C ATOM 0 H ILE A 48 7.677 10.237 -6.151 1.00 0.00 H new ATOM 0 HA ILE A 48 7.842 10.798 -3.318 1.00 0.00 H new ATOM 0 HB ILE A 48 7.241 8.290 -4.933 1.00 0.00 H new ATOM 0 HG12 ILE A 48 5.347 9.668 -3.049 1.00 0.00 H new ATOM 0 HG13 ILE A 48 5.627 10.377 -4.627 1.00 0.00 H new ATOM 0 HG21 ILE A 48 6.617 7.241 -2.793 1.00 0.00 H new ATOM 0 HG22 ILE A 48 8.345 7.662 -2.840 1.00 0.00 H new ATOM 0 HG23 ILE A 48 7.207 8.676 -1.921 1.00 0.00 H new ATOM 0 HD11 ILE A 48 3.666 8.915 -4.659 1.00 0.00 H new ATOM 0 HD12 ILE A 48 4.946 8.266 -5.712 1.00 0.00 H new ATOM 0 HD13 ILE A 48 4.661 7.546 -4.109 1.00 0.00 H new ATOM 702 N GLN A 49 10.062 9.866 -2.706 1.00 0.00 N ATOM 703 CA GLN A 49 11.403 9.413 -2.358 1.00 0.00 C ATOM 704 C GLN A 49 11.488 7.890 -2.387 1.00 0.00 C ATOM 705 O GLN A 49 12.231 7.316 -3.181 1.00 0.00 O ATOM 706 CB GLN A 49 11.796 9.931 -0.973 1.00 0.00 C ATOM 707 CG GLN A 49 11.727 11.444 -0.847 1.00 0.00 C ATOM 708 CD GLN A 49 12.975 12.130 -1.367 1.00 0.00 C ATOM 709 OE1 GLN A 49 13.692 11.587 -2.208 1.00 0.00 O ATOM 710 NE2 GLN A 49 13.241 13.332 -0.869 1.00 0.00 N ATOM 0 H GLN A 49 9.611 10.438 -1.992 1.00 0.00 H new ATOM 0 HA GLN A 49 12.097 9.812 -3.098 1.00 0.00 H new ATOM 0 HB2 GLN A 49 11.140 9.482 -0.227 1.00 0.00 H new ATOM 0 HB3 GLN A 49 12.810 9.602 -0.745 1.00 0.00 H new ATOM 0 HG2 GLN A 49 10.860 11.811 -1.396 1.00 0.00 H new ATOM 0 HG3 GLN A 49 11.579 11.711 0.199 1.00 0.00 H new ATOM 0 HE21 GLN A 49 12.620 13.745 -0.173 1.00 0.00 H new ATOM 0 HE22 GLN A 49 14.067 13.842 -1.182 1.00 0.00 H new ATOM 719 N ASN A 50 10.722 7.243 -1.515 1.00 0.00 N ATOM 720 CA ASN A 50 10.712 5.786 -1.440 1.00 0.00 C ATOM 721 C ASN A 50 9.418 5.283 -0.807 1.00 0.00 C ATOM 722 O ASN A 50 8.612 6.069 -0.308 1.00 0.00 O ATOM 723 CB ASN A 50 11.914 5.287 -0.635 1.00 0.00 C ATOM 724 CG ASN A 50 12.347 6.276 0.429 1.00 0.00 C ATOM 725 OD1 ASN A 50 13.524 6.623 0.528 1.00 0.00 O ATOM 726 ND2 ASN A 50 11.395 6.735 1.233 1.00 0.00 N ATOM 0 H ASN A 50 10.100 7.704 -0.851 1.00 0.00 H new ATOM 0 HA ASN A 50 10.776 5.395 -2.455 1.00 0.00 H new ATOM 0 HB2 ASN A 50 11.663 4.337 -0.164 1.00 0.00 H new ATOM 0 HB3 ASN A 50 12.747 5.097 -1.311 1.00 0.00 H new ATOM 0 HD21 ASN A 50 11.627 7.403 1.969 1.00 0.00 H new ATOM 0 HD22 ASN A 50 10.432 6.420 1.115 1.00 0.00 H new ATOM 733 N PHE A 51 9.226 3.968 -0.831 1.00 0.00 N ATOM 734 CA PHE A 51 8.030 3.360 -0.260 1.00 0.00 C ATOM 735 C PHE A 51 8.317 2.795 1.128 1.00 0.00 C ATOM 736 O PHE A 51 9.350 2.164 1.352 1.00 0.00 O ATOM 737 CB PHE A 51 7.509 2.251 -1.177 1.00 0.00 C ATOM 738 CG PHE A 51 6.852 2.764 -2.426 1.00 0.00 C ATOM 739 CD1 PHE A 51 5.659 3.467 -2.358 1.00 0.00 C ATOM 740 CD2 PHE A 51 7.426 2.545 -3.667 1.00 0.00 C ATOM 741 CE1 PHE A 51 5.052 3.940 -3.505 1.00 0.00 C ATOM 742 CE2 PHE A 51 6.823 3.016 -4.819 1.00 0.00 C ATOM 743 CZ PHE A 51 5.635 3.716 -4.737 1.00 0.00 C ATOM 0 H PHE A 51 9.883 3.303 -1.240 1.00 0.00 H new ATOM 0 HA PHE A 51 7.268 4.134 -0.167 1.00 0.00 H new ATOM 0 HB2 PHE A 51 8.338 1.600 -1.454 1.00 0.00 H new ATOM 0 HB3 PHE A 51 6.795 1.640 -0.625 1.00 0.00 H new ATOM 0 HD1 PHE A 51 5.199 3.647 -1.397 1.00 0.00 H new ATOM 0 HD2 PHE A 51 8.356 2.000 -3.736 1.00 0.00 H new ATOM 0 HE1 PHE A 51 4.122 4.485 -3.439 1.00 0.00 H new ATOM 0 HE2 PHE A 51 7.280 2.837 -5.781 1.00 0.00 H new ATOM 0 HZ PHE A 51 5.163 4.087 -5.635 1.00 0.00 H new ATOM 753 N VAL A 52 7.395 3.028 2.057 1.00 0.00 N ATOM 754 CA VAL A 52 7.548 2.542 3.423 1.00 0.00 C ATOM 755 C VAL A 52 6.446 1.551 3.780 1.00 0.00 C ATOM 756 O VAL A 52 5.268 1.907 3.833 1.00 0.00 O ATOM 757 CB VAL A 52 7.527 3.702 4.436 1.00 0.00 C ATOM 758 CG1 VAL A 52 7.830 3.193 5.837 1.00 0.00 C ATOM 759 CG2 VAL A 52 8.516 4.784 4.028 1.00 0.00 C ATOM 0 H VAL A 52 6.535 3.550 1.889 1.00 0.00 H new ATOM 0 HA VAL A 52 8.515 2.041 3.475 1.00 0.00 H new ATOM 0 HB VAL A 52 6.528 4.138 4.442 1.00 0.00 H new ATOM 0 HG11 VAL A 52 7.811 4.027 6.539 1.00 0.00 H new ATOM 0 HG12 VAL A 52 7.080 2.457 6.127 1.00 0.00 H new ATOM 0 HG13 VAL A 52 8.817 2.730 5.850 1.00 0.00 H new ATOM 0 HG21 VAL A 52 8.488 5.596 4.755 1.00 0.00 H new ATOM 0 HG22 VAL A 52 9.521 4.364 3.992 1.00 0.00 H new ATOM 0 HG23 VAL A 52 8.249 5.169 3.044 1.00 0.00 H new ATOM 769 N LEU A 53 6.836 0.305 4.025 1.00 0.00 N ATOM 770 CA LEU A 53 5.882 -0.740 4.379 1.00 0.00 C ATOM 771 C LEU A 53 6.001 -1.110 5.854 1.00 0.00 C ATOM 772 O LEU A 53 7.093 -1.099 6.420 1.00 0.00 O ATOM 773 CB LEU A 53 6.108 -1.980 3.511 1.00 0.00 C ATOM 774 CG LEU A 53 5.272 -3.210 3.866 1.00 0.00 C ATOM 775 CD1 LEU A 53 3.838 -3.036 3.389 1.00 0.00 C ATOM 776 CD2 LEU A 53 5.888 -4.465 3.265 1.00 0.00 C ATOM 0 H LEU A 53 7.807 -0.006 3.985 1.00 0.00 H new ATOM 0 HA LEU A 53 4.878 -0.356 4.200 1.00 0.00 H new ATOM 0 HB2 LEU A 53 5.905 -1.714 2.474 1.00 0.00 H new ATOM 0 HB3 LEU A 53 7.162 -2.253 3.570 1.00 0.00 H new ATOM 0 HG LEU A 53 5.262 -3.319 4.951 1.00 0.00 H new ATOM 0 HD11 LEU A 53 3.258 -3.921 3.650 1.00 0.00 H new ATOM 0 HD12 LEU A 53 3.399 -2.160 3.867 1.00 0.00 H new ATOM 0 HD13 LEU A 53 3.828 -2.902 2.307 1.00 0.00 H new ATOM 0 HD21 LEU A 53 5.280 -5.331 3.528 1.00 0.00 H new ATOM 0 HD22 LEU A 53 5.929 -4.366 2.180 1.00 0.00 H new ATOM 0 HD23 LEU A 53 6.897 -4.598 3.656 1.00 0.00 H new ATOM 788 N GLU A 54 4.869 -1.439 6.469 1.00 0.00 N ATOM 789 CA GLU A 54 4.847 -1.814 7.878 1.00 0.00 C ATOM 790 C GLU A 54 3.906 -2.992 8.114 1.00 0.00 C ATOM 791 O GLU A 54 2.968 -3.213 7.347 1.00 0.00 O ATOM 792 CB GLU A 54 4.418 -0.624 8.739 1.00 0.00 C ATOM 793 CG GLU A 54 5.431 0.509 8.760 1.00 0.00 C ATOM 794 CD GLU A 54 5.197 1.522 7.656 1.00 0.00 C ATOM 795 OE1 GLU A 54 4.548 1.164 6.651 1.00 0.00 O ATOM 796 OE2 GLU A 54 5.661 2.672 7.798 1.00 0.00 O ATOM 0 H GLU A 54 3.956 -1.453 6.014 1.00 0.00 H new ATOM 0 HA GLU A 54 5.855 -2.115 8.163 1.00 0.00 H new ATOM 0 HB2 GLU A 54 3.467 -0.243 8.368 1.00 0.00 H new ATOM 0 HB3 GLU A 54 4.248 -0.967 9.760 1.00 0.00 H new ATOM 0 HG2 GLU A 54 5.387 1.013 9.726 1.00 0.00 H new ATOM 0 HG3 GLU A 54 6.435 0.096 8.662 1.00 0.00 H new ATOM 803 N TRP A 55 4.164 -3.743 9.177 1.00 0.00 N ATOM 804 CA TRP A 55 3.340 -4.899 9.514 1.00 0.00 C ATOM 805 C TRP A 55 3.454 -5.235 10.997 1.00 0.00 C ATOM 806 O TRP A 55 4.418 -4.849 11.658 1.00 0.00 O ATOM 807 CB TRP A 55 3.752 -6.108 8.672 1.00 0.00 C ATOM 808 CG TRP A 55 5.049 -6.721 9.107 1.00 0.00 C ATOM 809 CD1 TRP A 55 6.132 -6.068 9.623 1.00 0.00 C ATOM 810 CD2 TRP A 55 5.398 -8.109 9.063 1.00 0.00 C ATOM 811 NE1 TRP A 55 7.133 -6.967 9.902 1.00 0.00 N ATOM 812 CE2 TRP A 55 6.708 -8.225 9.568 1.00 0.00 C ATOM 813 CE3 TRP A 55 4.731 -9.264 8.647 1.00 0.00 C ATOM 814 CZ2 TRP A 55 7.361 -9.451 9.667 1.00 0.00 C ATOM 815 CZ3 TRP A 55 5.381 -10.480 8.745 1.00 0.00 C ATOM 816 CH2 TRP A 55 6.685 -10.566 9.252 1.00 0.00 C ATOM 0 H TRP A 55 4.937 -3.573 9.821 1.00 0.00 H new ATOM 0 HA TRP A 55 2.302 -4.650 9.296 1.00 0.00 H new ATOM 0 HB2 TRP A 55 2.967 -6.862 8.724 1.00 0.00 H new ATOM 0 HB3 TRP A 55 3.834 -5.804 7.628 1.00 0.00 H new ATOM 0 HD1 TRP A 55 6.193 -5.002 9.787 1.00 0.00 H new ATOM 0 HE1 TRP A 55 8.045 -6.735 10.295 1.00 0.00 H new ATOM 0 HE3 TRP A 55 3.726 -9.208 8.256 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 8.366 -9.519 10.058 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 4.875 -11.379 8.425 1.00 0.00 H new ATOM 0 HH2 TRP A 55 7.166 -11.531 9.316 1.00 0.00 H new ATOM 827 N ASP A 56 2.464 -5.956 11.513 1.00 0.00 N ATOM 828 CA ASP A 56 2.454 -6.345 12.919 1.00 0.00 C ATOM 829 C ASP A 56 3.164 -7.680 13.118 1.00 0.00 C ATOM 830 O ASP A 56 2.818 -8.450 14.014 1.00 0.00 O ATOM 831 CB ASP A 56 1.017 -6.434 13.435 1.00 0.00 C ATOM 832 CG ASP A 56 0.245 -7.575 12.802 1.00 0.00 C ATOM 833 OD1 ASP A 56 -0.058 -7.488 11.593 1.00 0.00 O ATOM 834 OD2 ASP A 56 -0.055 -8.555 13.515 1.00 0.00 O ATOM 0 H ASP A 56 1.659 -6.283 10.979 1.00 0.00 H new ATOM 0 HA ASP A 56 2.988 -5.583 13.486 1.00 0.00 H new ATOM 0 HB2 ASP A 56 1.030 -6.564 14.517 1.00 0.00 H new ATOM 0 HB3 ASP A 56 0.502 -5.495 13.233 1.00 0.00 H new ATOM 839 N GLU A 57 4.157 -7.949 12.276 1.00 0.00 N ATOM 840 CA GLU A 57 4.913 -9.192 12.359 1.00 0.00 C ATOM 841 C GLU A 57 3.993 -10.369 12.670 1.00 0.00 C ATOM 842 O GLU A 57 4.403 -11.343 13.301 1.00 0.00 O ATOM 843 CB GLU A 57 6.000 -9.084 13.431 1.00 0.00 C ATOM 844 CG GLU A 57 7.180 -8.221 13.016 1.00 0.00 C ATOM 845 CD GLU A 57 8.462 -8.604 13.729 1.00 0.00 C ATOM 846 OE1 GLU A 57 8.421 -8.785 14.964 1.00 0.00 O ATOM 847 OE2 GLU A 57 9.505 -8.722 13.053 1.00 0.00 O ATOM 0 H GLU A 57 4.456 -7.322 11.529 1.00 0.00 H new ATOM 0 HA GLU A 57 5.383 -9.366 11.391 1.00 0.00 H new ATOM 0 HB2 GLU A 57 5.562 -8.673 14.341 1.00 0.00 H new ATOM 0 HB3 GLU A 57 6.360 -10.084 13.674 1.00 0.00 H new ATOM 0 HG2 GLU A 57 7.328 -8.307 11.940 1.00 0.00 H new ATOM 0 HG3 GLU A 57 6.952 -7.176 13.224 1.00 0.00 H new ATOM 854 N GLY A 58 2.744 -10.271 12.223 1.00 0.00 N ATOM 855 CA GLY A 58 1.785 -11.332 12.464 1.00 0.00 C ATOM 856 C GLY A 58 1.798 -11.812 13.902 1.00 0.00 C ATOM 857 O GLY A 58 1.846 -13.014 14.163 1.00 0.00 O ATOM 0 H GLY A 58 2.380 -9.475 11.698 1.00 0.00 H new ATOM 0 HA2 GLY A 58 0.785 -10.978 12.212 1.00 0.00 H new ATOM 0 HA3 GLY A 58 2.002 -12.171 11.803 1.00 0.00 H new ATOM 861 N LYS A 59 1.759 -10.870 14.838 1.00 0.00 N ATOM 862 CA LYS A 59 1.767 -11.201 16.258 1.00 0.00 C ATOM 863 C LYS A 59 0.348 -11.243 16.815 1.00 0.00 C ATOM 864 O LYS A 59 -0.090 -12.263 17.346 1.00 0.00 O ATOM 865 CB LYS A 59 2.602 -10.180 17.036 1.00 0.00 C ATOM 866 CG LYS A 59 4.092 -10.473 17.017 1.00 0.00 C ATOM 867 CD LYS A 59 4.879 -9.402 17.754 1.00 0.00 C ATOM 868 CE LYS A 59 6.315 -9.838 18.002 1.00 0.00 C ATOM 869 NZ LYS A 59 7.206 -8.678 18.285 1.00 0.00 N ATOM 0 H LYS A 59 1.722 -9.870 14.639 1.00 0.00 H new ATOM 0 HA LYS A 59 2.213 -12.189 16.373 1.00 0.00 H new ATOM 0 HB2 LYS A 59 2.430 -9.188 16.618 1.00 0.00 H new ATOM 0 HB3 LYS A 59 2.258 -10.154 18.070 1.00 0.00 H new ATOM 0 HG2 LYS A 59 4.279 -11.444 17.476 1.00 0.00 H new ATOM 0 HG3 LYS A 59 4.439 -10.536 15.985 1.00 0.00 H new ATOM 0 HD2 LYS A 59 4.873 -8.480 17.173 1.00 0.00 H new ATOM 0 HD3 LYS A 59 4.395 -9.183 18.706 1.00 0.00 H new ATOM 0 HE2 LYS A 59 6.344 -10.532 18.842 1.00 0.00 H new ATOM 0 HE3 LYS A 59 6.686 -10.377 17.131 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 8.176 -9.017 18.448 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 7.199 -8.028 17.473 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 6.867 -8.178 19.131 1.00 0.00 H new ATOM 883 N GLY A 60 -0.366 -10.129 16.689 1.00 0.00 N ATOM 884 CA GLY A 60 -1.729 -10.061 17.184 1.00 0.00 C ATOM 885 C GLY A 60 -1.883 -9.078 18.327 1.00 0.00 C ATOM 886 O GLY A 60 -2.548 -9.369 19.320 1.00 0.00 O ATOM 0 H GLY A 60 -0.025 -9.272 16.253 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -2.394 -9.773 16.370 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -2.041 -11.051 17.516 1.00 0.00 H new ATOM 890 N ASN A 61 -1.263 -7.910 18.188 1.00 0.00 N ATOM 891 CA ASN A 61 -1.333 -6.881 19.219 1.00 0.00 C ATOM 892 C ASN A 61 -1.734 -5.536 18.619 1.00 0.00 C ATOM 893 O ASN A 61 -2.530 -4.799 19.199 1.00 0.00 O ATOM 894 CB ASN A 61 0.015 -6.752 19.932 1.00 0.00 C ATOM 895 CG ASN A 61 1.184 -7.067 19.019 1.00 0.00 C ATOM 896 OD1 ASN A 61 1.236 -8.133 18.405 1.00 0.00 O ATOM 897 ND2 ASN A 61 2.130 -6.140 18.928 1.00 0.00 N ATOM 0 H ASN A 61 -0.707 -7.653 17.372 1.00 0.00 H new ATOM 0 HA ASN A 61 -2.093 -7.177 19.942 1.00 0.00 H new ATOM 0 HB2 ASN A 61 0.123 -5.739 20.319 1.00 0.00 H new ATOM 0 HB3 ASN A 61 0.035 -7.425 20.789 1.00 0.00 H new ATOM 0 HD21 ASN A 61 2.942 -6.297 18.331 1.00 0.00 H new ATOM 0 HD22 ASN A 61 2.045 -5.271 19.455 1.00 0.00 H new ATOM 904 N GLY A 62 -1.177 -5.224 17.453 1.00 0.00 N ATOM 905 CA GLY A 62 -1.489 -3.970 16.794 1.00 0.00 C ATOM 906 C GLY A 62 -0.291 -3.045 16.711 1.00 0.00 C ATOM 907 O GLY A 62 -0.443 -1.835 16.543 1.00 0.00 O ATOM 0 H GLY A 62 -0.515 -5.818 16.953 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -1.857 -4.173 15.789 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -2.294 -3.470 17.333 1.00 0.00 H new ATOM 911 N GLU A 63 0.905 -3.614 16.832 1.00 0.00 N ATOM 912 CA GLU A 63 2.133 -2.831 16.772 1.00 0.00 C ATOM 913 C GLU A 63 2.732 -2.865 15.369 1.00 0.00 C ATOM 914 O GLU A 63 3.309 -3.869 14.952 1.00 0.00 O ATOM 915 CB GLU A 63 3.150 -3.359 17.786 1.00 0.00 C ATOM 916 CG GLU A 63 2.816 -3.002 19.225 1.00 0.00 C ATOM 917 CD GLU A 63 3.687 -3.738 20.225 1.00 0.00 C ATOM 918 OE1 GLU A 63 4.260 -4.785 19.857 1.00 0.00 O ATOM 919 OE2 GLU A 63 3.796 -3.265 21.376 1.00 0.00 O ATOM 0 H GLU A 63 1.049 -4.614 16.972 1.00 0.00 H new ATOM 0 HA GLU A 63 1.888 -1.798 17.018 1.00 0.00 H new ATOM 0 HB2 GLU A 63 3.212 -4.443 17.695 1.00 0.00 H new ATOM 0 HB3 GLU A 63 4.135 -2.961 17.541 1.00 0.00 H new ATOM 0 HG2 GLU A 63 2.935 -1.928 19.366 1.00 0.00 H new ATOM 0 HG3 GLU A 63 1.769 -3.235 19.420 1.00 0.00 H new ATOM 926 N PHE A 64 2.591 -1.760 14.645 1.00 0.00 N ATOM 927 CA PHE A 64 3.116 -1.662 13.288 1.00 0.00 C ATOM 928 C PHE A 64 4.495 -1.009 13.284 1.00 0.00 C ATOM 929 O PHE A 64 4.683 0.073 13.842 1.00 0.00 O ATOM 930 CB PHE A 64 2.158 -0.862 12.403 1.00 0.00 C ATOM 931 CG PHE A 64 0.997 -1.668 11.896 1.00 0.00 C ATOM 932 CD1 PHE A 64 -0.035 -2.032 12.746 1.00 0.00 C ATOM 933 CD2 PHE A 64 0.937 -2.061 10.568 1.00 0.00 C ATOM 934 CE1 PHE A 64 -1.105 -2.774 12.281 1.00 0.00 C ATOM 935 CE2 PHE A 64 -0.131 -2.803 10.098 1.00 0.00 C ATOM 936 CZ PHE A 64 -1.153 -3.159 10.955 1.00 0.00 C ATOM 0 H PHE A 64 2.117 -0.919 14.975 1.00 0.00 H new ATOM 0 HA PHE A 64 3.210 -2.672 12.889 1.00 0.00 H new ATOM 0 HB2 PHE A 64 1.780 -0.010 12.968 1.00 0.00 H new ATOM 0 HB3 PHE A 64 2.710 -0.461 11.553 1.00 0.00 H new ATOM 0 HD1 PHE A 64 -0.003 -1.733 13.783 1.00 0.00 H new ATOM 0 HD2 PHE A 64 1.733 -1.785 9.893 1.00 0.00 H new ATOM 0 HE1 PHE A 64 -1.903 -3.052 12.954 1.00 0.00 H new ATOM 0 HE2 PHE A 64 -0.166 -3.104 9.061 1.00 0.00 H new ATOM 0 HZ PHE A 64 -1.989 -3.737 10.590 1.00 0.00 H new ATOM 946 N CYS A 65 5.457 -1.674 12.654 1.00 0.00 N ATOM 947 CA CYS A 65 6.819 -1.160 12.578 1.00 0.00 C ATOM 948 C CYS A 65 7.353 -1.240 11.151 1.00 0.00 C ATOM 949 O CYS A 65 6.735 -1.854 10.282 1.00 0.00 O ATOM 950 CB CYS A 65 7.735 -1.941 13.522 1.00 0.00 C ATOM 951 SG CYS A 65 7.772 -1.299 15.212 1.00 0.00 S ATOM 0 H CYS A 65 5.318 -2.571 12.188 1.00 0.00 H new ATOM 0 HA CYS A 65 6.802 -0.113 12.882 1.00 0.00 H new ATOM 0 HB2 CYS A 65 7.411 -2.982 13.547 1.00 0.00 H new ATOM 0 HB3 CYS A 65 8.748 -1.932 13.119 1.00 0.00 H new ATOM 0 HG CYS A 65 8.572 -2.026 15.935 1.00 0.00 H new ATOM 957 N GLN A 66 8.502 -0.614 10.918 1.00 0.00 N ATOM 958 CA GLN A 66 9.116 -0.613 9.596 1.00 0.00 C ATOM 959 C GLN A 66 9.459 -2.032 9.154 1.00 0.00 C ATOM 960 O GLN A 66 10.223 -2.732 9.820 1.00 0.00 O ATOM 961 CB GLN A 66 10.378 0.252 9.597 1.00 0.00 C ATOM 962 CG GLN A 66 10.796 0.720 8.213 1.00 0.00 C ATOM 963 CD GLN A 66 11.821 1.836 8.259 1.00 0.00 C ATOM 964 OE1 GLN A 66 11.717 2.757 9.068 1.00 0.00 O ATOM 965 NE2 GLN A 66 12.820 1.758 7.387 1.00 0.00 N ATOM 0 H GLN A 66 9.026 -0.101 11.627 1.00 0.00 H new ATOM 0 HA GLN A 66 8.398 -0.195 8.890 1.00 0.00 H new ATOM 0 HB2 GLN A 66 10.211 1.123 10.231 1.00 0.00 H new ATOM 0 HB3 GLN A 66 11.196 -0.314 10.042 1.00 0.00 H new ATOM 0 HG2 GLN A 66 11.207 -0.123 7.657 1.00 0.00 H new ATOM 0 HG3 GLN A 66 9.916 1.062 7.668 1.00 0.00 H new ATOM 0 HE21 GLN A 66 12.867 0.976 6.734 1.00 0.00 H new ATOM 0 HE22 GLN A 66 13.540 2.480 7.371 1.00 0.00 H new ATOM 974 N CYS A 67 8.890 -2.450 8.029 1.00 0.00 N ATOM 975 CA CYS A 67 9.135 -3.786 7.499 1.00 0.00 C ATOM 976 C CYS A 67 10.037 -3.727 6.271 1.00 0.00 C ATOM 977 O CYS A 67 11.047 -4.427 6.195 1.00 0.00 O ATOM 978 CB CYS A 67 7.812 -4.466 7.143 1.00 0.00 C ATOM 979 SG CYS A 67 7.895 -6.272 7.114 1.00 0.00 S ATOM 0 H CYS A 67 8.256 -1.883 7.466 1.00 0.00 H new ATOM 0 HA CYS A 67 9.639 -4.369 8.270 1.00 0.00 H new ATOM 0 HB2 CYS A 67 7.053 -4.159 7.863 1.00 0.00 H new ATOM 0 HB3 CYS A 67 7.486 -4.112 6.165 1.00 0.00 H new ATOM 0 HG CYS A 67 7.233 -6.753 8.124 1.00 0.00 H new ATOM 985 N TYR A 68 9.665 -2.888 5.310 1.00 0.00 N ATOM 986 CA TYR A 68 10.439 -2.741 4.083 1.00 0.00 C ATOM 987 C TYR A 68 10.425 -1.293 3.601 1.00 0.00 C ATOM 988 O TYR A 68 9.369 -0.669 3.505 1.00 0.00 O ATOM 989 CB TYR A 68 9.884 -3.658 2.992 1.00 0.00 C ATOM 990 CG TYR A 68 10.684 -3.627 1.709 1.00 0.00 C ATOM 991 CD1 TYR A 68 10.457 -2.648 0.750 1.00 0.00 C ATOM 992 CD2 TYR A 68 11.667 -4.576 1.457 1.00 0.00 C ATOM 993 CE1 TYR A 68 11.186 -2.616 -0.424 1.00 0.00 C ATOM 994 CE2 TYR A 68 12.401 -4.551 0.287 1.00 0.00 C ATOM 995 CZ TYR A 68 12.156 -3.569 -0.650 1.00 0.00 C ATOM 996 OH TYR A 68 12.885 -3.540 -1.817 1.00 0.00 O ATOM 0 H TYR A 68 8.833 -2.300 5.357 1.00 0.00 H new ATOM 0 HA TYR A 68 11.469 -3.025 4.297 1.00 0.00 H new ATOM 0 HB2 TYR A 68 9.856 -4.681 3.368 1.00 0.00 H new ATOM 0 HB3 TYR A 68 8.855 -3.370 2.776 1.00 0.00 H new ATOM 0 HD1 TYR A 68 9.698 -1.899 0.925 1.00 0.00 H new ATOM 0 HD2 TYR A 68 11.861 -5.347 2.189 1.00 0.00 H new ATOM 0 HE1 TYR A 68 10.997 -1.849 -1.160 1.00 0.00 H new ATOM 0 HE2 TYR A 68 13.162 -5.296 0.107 1.00 0.00 H new ATOM 0 HH TYR A 68 12.522 -4.198 -2.446 1.00 0.00 H new ATOM 1006 N MET A 69 11.607 -0.766 3.300 1.00 0.00 N ATOM 1007 CA MET A 69 11.733 0.607 2.826 1.00 0.00 C ATOM 1008 C MET A 69 12.657 0.683 1.615 1.00 0.00 C ATOM 1009 O MET A 69 13.841 0.361 1.705 1.00 0.00 O ATOM 1010 CB MET A 69 12.261 1.509 3.943 1.00 0.00 C ATOM 1011 CG MET A 69 12.518 2.940 3.499 1.00 0.00 C ATOM 1012 SD MET A 69 12.887 4.039 4.880 1.00 0.00 S ATOM 1013 CE MET A 69 12.637 5.639 4.115 1.00 0.00 C ATOM 0 H MET A 69 12.491 -1.269 3.376 1.00 0.00 H new ATOM 0 HA MET A 69 10.744 0.953 2.527 1.00 0.00 H new ATOM 0 HB2 MET A 69 11.543 1.515 4.763 1.00 0.00 H new ATOM 0 HB3 MET A 69 13.187 1.086 4.333 1.00 0.00 H new ATOM 0 HG2 MET A 69 13.351 2.954 2.796 1.00 0.00 H new ATOM 0 HG3 MET A 69 11.644 3.314 2.966 1.00 0.00 H new ATOM 0 HE1 MET A 69 12.828 6.425 4.845 1.00 0.00 H new ATOM 0 HE2 MET A 69 13.321 5.751 3.274 1.00 0.00 H new ATOM 0 HE3 MET A 69 11.609 5.716 3.760 1.00 0.00 H new ATOM 1023 N GLY A 70 12.108 1.110 0.482 1.00 0.00 N ATOM 1024 CA GLY A 70 12.899 1.219 -0.730 1.00 0.00 C ATOM 1025 C GLY A 70 12.063 1.607 -1.934 1.00 0.00 C ATOM 1026 O GLY A 70 10.852 1.797 -1.823 1.00 0.00 O ATOM 0 H GLY A 70 11.130 1.382 0.382 1.00 0.00 H new ATOM 0 HA2 GLY A 70 13.684 1.960 -0.582 1.00 0.00 H new ATOM 0 HA3 GLY A 70 13.392 0.267 -0.925 1.00 0.00 H new ATOM 1030 N SER A 71 12.711 1.726 -3.089 1.00 0.00 N ATOM 1031 CA SER A 71 12.021 2.100 -4.318 1.00 0.00 C ATOM 1032 C SER A 71 11.178 0.941 -4.841 1.00 0.00 C ATOM 1033 O SER A 71 10.076 1.142 -5.350 1.00 0.00 O ATOM 1034 CB SER A 71 13.030 2.534 -5.383 1.00 0.00 C ATOM 1035 OG SER A 71 12.378 3.135 -6.488 1.00 0.00 O ATOM 0 H SER A 71 13.713 1.569 -3.199 1.00 0.00 H new ATOM 0 HA SER A 71 11.359 2.936 -4.094 1.00 0.00 H new ATOM 0 HB2 SER A 71 13.741 3.237 -4.950 1.00 0.00 H new ATOM 0 HB3 SER A 71 13.602 1.670 -5.720 1.00 0.00 H new ATOM 0 HG SER A 71 13.044 3.405 -7.154 1.00 0.00 H new ATOM 1041 N GLN A 72 11.707 -0.272 -4.713 1.00 0.00 N ATOM 1042 CA GLN A 72 11.004 -1.464 -5.173 1.00 0.00 C ATOM 1043 C GLN A 72 9.582 -1.503 -4.625 1.00 0.00 C ATOM 1044 O GLN A 72 9.311 -1.000 -3.535 1.00 0.00 O ATOM 1045 CB GLN A 72 11.762 -2.724 -4.750 1.00 0.00 C ATOM 1046 CG GLN A 72 13.015 -2.984 -5.571 1.00 0.00 C ATOM 1047 CD GLN A 72 14.084 -3.719 -4.786 1.00 0.00 C ATOM 1048 OE1 GLN A 72 14.402 -4.872 -5.077 1.00 0.00 O ATOM 1049 NE2 GLN A 72 14.645 -3.053 -3.783 1.00 0.00 N ATOM 0 H GLN A 72 12.619 -0.455 -4.295 1.00 0.00 H new ATOM 0 HA GLN A 72 10.953 -1.428 -6.261 1.00 0.00 H new ATOM 0 HB2 GLN A 72 12.038 -2.637 -3.699 1.00 0.00 H new ATOM 0 HB3 GLN A 72 11.097 -3.584 -4.835 1.00 0.00 H new ATOM 0 HG2 GLN A 72 12.752 -3.567 -6.454 1.00 0.00 H new ATOM 0 HG3 GLN A 72 13.417 -2.034 -5.924 1.00 0.00 H new ATOM 0 HE21 GLN A 72 14.351 -2.098 -3.577 1.00 0.00 H new ATOM 0 HE22 GLN A 72 15.370 -3.496 -3.219 1.00 0.00 H new ATOM 1058 N LYS A 73 8.675 -2.104 -5.389 1.00 0.00 N ATOM 1059 CA LYS A 73 7.280 -2.210 -4.980 1.00 0.00 C ATOM 1060 C LYS A 73 6.899 -3.664 -4.717 1.00 0.00 C ATOM 1061 O LYS A 73 5.739 -4.047 -4.863 1.00 0.00 O ATOM 1062 CB LYS A 73 6.365 -1.620 -6.056 1.00 0.00 C ATOM 1063 CG LYS A 73 6.594 -0.139 -6.302 1.00 0.00 C ATOM 1064 CD LYS A 73 6.016 0.301 -7.637 1.00 0.00 C ATOM 1065 CE LYS A 73 7.002 0.075 -8.772 1.00 0.00 C ATOM 1066 NZ LYS A 73 6.326 0.059 -10.099 1.00 0.00 N ATOM 0 H LYS A 73 8.882 -2.525 -6.295 1.00 0.00 H new ATOM 0 HA LYS A 73 7.155 -1.646 -4.056 1.00 0.00 H new ATOM 0 HB2 LYS A 73 6.518 -2.163 -6.989 1.00 0.00 H new ATOM 0 HB3 LYS A 73 5.327 -1.775 -5.763 1.00 0.00 H new ATOM 0 HG2 LYS A 73 6.137 0.439 -5.499 1.00 0.00 H new ATOM 0 HG3 LYS A 73 7.663 0.073 -6.280 1.00 0.00 H new ATOM 0 HD2 LYS A 73 5.097 -0.250 -7.836 1.00 0.00 H new ATOM 0 HD3 LYS A 73 5.750 1.357 -7.589 1.00 0.00 H new ATOM 0 HE2 LYS A 73 7.757 0.861 -8.759 1.00 0.00 H new ATOM 0 HE3 LYS A 73 7.522 -0.870 -8.618 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 7.032 -0.098 -10.846 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 5.623 -0.707 -10.121 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 5.850 0.970 -10.257 1.00 0.00 H new ATOM 1080 N GLN A 74 7.884 -4.467 -4.327 1.00 0.00 N ATOM 1081 CA GLN A 74 7.651 -5.878 -4.042 1.00 0.00 C ATOM 1082 C GLN A 74 8.600 -6.379 -2.959 1.00 0.00 C ATOM 1083 O GLN A 74 9.799 -6.103 -2.993 1.00 0.00 O ATOM 1084 CB GLN A 74 7.824 -6.712 -5.313 1.00 0.00 C ATOM 1085 CG GLN A 74 7.826 -8.211 -5.062 1.00 0.00 C ATOM 1086 CD GLN A 74 8.425 -8.995 -6.213 1.00 0.00 C ATOM 1087 OE1 GLN A 74 8.458 -8.522 -7.350 1.00 0.00 O ATOM 1088 NE2 GLN A 74 8.902 -10.200 -5.925 1.00 0.00 N ATOM 0 H GLN A 74 8.850 -4.165 -4.201 1.00 0.00 H new ATOM 0 HA GLN A 74 6.628 -5.985 -3.681 1.00 0.00 H new ATOM 0 HB2 GLN A 74 7.021 -6.470 -6.009 1.00 0.00 H new ATOM 0 HB3 GLN A 74 8.760 -6.432 -5.797 1.00 0.00 H new ATOM 0 HG2 GLN A 74 8.388 -8.422 -4.152 1.00 0.00 H new ATOM 0 HG3 GLN A 74 6.804 -8.548 -4.891 1.00 0.00 H new ATOM 0 HE21 GLN A 74 8.854 -10.552 -4.969 1.00 0.00 H new ATOM 0 HE22 GLN A 74 9.317 -10.773 -6.660 1.00 0.00 H new ATOM 1097 N PHE A 75 8.055 -7.116 -1.997 1.00 0.00 N ATOM 1098 CA PHE A 75 8.853 -7.655 -0.901 1.00 0.00 C ATOM 1099 C PHE A 75 8.295 -8.995 -0.429 1.00 0.00 C ATOM 1100 O PHE A 75 7.105 -9.118 -0.141 1.00 0.00 O ATOM 1101 CB PHE A 75 8.889 -6.666 0.266 1.00 0.00 C ATOM 1102 CG PHE A 75 9.469 -7.245 1.524 1.00 0.00 C ATOM 1103 CD1 PHE A 75 10.649 -7.970 1.489 1.00 0.00 C ATOM 1104 CD2 PHE A 75 8.835 -7.063 2.743 1.00 0.00 C ATOM 1105 CE1 PHE A 75 11.185 -8.504 2.646 1.00 0.00 C ATOM 1106 CE2 PHE A 75 9.366 -7.595 3.903 1.00 0.00 C ATOM 1107 CZ PHE A 75 10.543 -8.316 3.854 1.00 0.00 C ATOM 0 H PHE A 75 7.064 -7.354 -1.954 1.00 0.00 H new ATOM 0 HA PHE A 75 9.868 -7.812 -1.267 1.00 0.00 H new ATOM 0 HB2 PHE A 75 9.473 -5.793 -0.026 1.00 0.00 H new ATOM 0 HB3 PHE A 75 7.876 -6.318 0.469 1.00 0.00 H new ATOM 0 HD1 PHE A 75 11.156 -8.120 0.547 1.00 0.00 H new ATOM 0 HD2 PHE A 75 7.915 -6.499 2.787 1.00 0.00 H new ATOM 0 HE1 PHE A 75 12.105 -9.068 2.605 1.00 0.00 H new ATOM 0 HE2 PHE A 75 8.861 -7.447 4.846 1.00 0.00 H new ATOM 0 HZ PHE A 75 10.961 -8.732 4.759 1.00 0.00 H new ATOM 1117 N LYS A 76 9.164 -9.997 -0.354 1.00 0.00 N ATOM 1118 CA LYS A 76 8.761 -11.328 0.082 1.00 0.00 C ATOM 1119 C LYS A 76 9.214 -11.591 1.515 1.00 0.00 C ATOM 1120 O LYS A 76 10.405 -11.760 1.778 1.00 0.00 O ATOM 1121 CB LYS A 76 9.344 -12.392 -0.851 1.00 0.00 C ATOM 1122 CG LYS A 76 9.228 -13.806 -0.310 1.00 0.00 C ATOM 1123 CD LYS A 76 9.440 -14.841 -1.402 1.00 0.00 C ATOM 1124 CE LYS A 76 10.030 -16.127 -0.845 1.00 0.00 C ATOM 1125 NZ LYS A 76 10.870 -16.833 -1.851 1.00 0.00 N ATOM 0 H LYS A 76 10.153 -9.912 -0.590 1.00 0.00 H new ATOM 0 HA LYS A 76 7.673 -11.380 0.047 1.00 0.00 H new ATOM 0 HB2 LYS A 76 8.835 -12.337 -1.813 1.00 0.00 H new ATOM 0 HB3 LYS A 76 10.395 -12.167 -1.033 1.00 0.00 H new ATOM 0 HG2 LYS A 76 9.963 -13.955 0.481 1.00 0.00 H new ATOM 0 HG3 LYS A 76 8.244 -13.945 0.138 1.00 0.00 H new ATOM 0 HD2 LYS A 76 8.489 -15.057 -1.889 1.00 0.00 H new ATOM 0 HD3 LYS A 76 10.104 -14.435 -2.165 1.00 0.00 H new ATOM 0 HE2 LYS A 76 10.632 -15.899 0.035 1.00 0.00 H new ATOM 0 HE3 LYS A 76 9.224 -16.785 -0.519 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 11.254 -17.704 -1.433 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 10.290 -17.073 -2.680 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 11.654 -16.215 -2.144 1.00 0.00 H new ATOM 1139 N ILE A 77 8.257 -11.626 2.436 1.00 0.00 N ATOM 1140 CA ILE A 77 8.559 -11.871 3.841 1.00 0.00 C ATOM 1141 C ILE A 77 8.656 -13.365 4.130 1.00 0.00 C ATOM 1142 O ILE A 77 7.644 -14.065 4.186 1.00 0.00 O ATOM 1143 CB ILE A 77 7.492 -11.249 4.762 1.00 0.00 C ATOM 1144 CG1 ILE A 77 7.467 -9.729 4.597 1.00 0.00 C ATOM 1145 CG2 ILE A 77 7.760 -11.625 6.212 1.00 0.00 C ATOM 1146 CD1 ILE A 77 6.105 -9.116 4.840 1.00 0.00 C ATOM 0 H ILE A 77 7.267 -11.488 2.235 1.00 0.00 H new ATOM 0 HA ILE A 77 9.521 -11.401 4.044 1.00 0.00 H new ATOM 0 HB ILE A 77 6.516 -11.642 4.479 1.00 0.00 H new ATOM 0 HG12 ILE A 77 8.184 -9.285 5.287 1.00 0.00 H new ATOM 0 HG13 ILE A 77 7.796 -9.476 3.589 1.00 0.00 H new ATOM 0 HG21 ILE A 77 6.998 -11.178 6.851 1.00 0.00 H new ATOM 0 HG22 ILE A 77 7.732 -12.709 6.318 1.00 0.00 H new ATOM 0 HG23 ILE A 77 8.742 -11.257 6.508 1.00 0.00 H new ATOM 0 HD11 ILE A 77 6.163 -8.036 4.705 1.00 0.00 H new ATOM 0 HD12 ILE A 77 5.387 -9.532 4.133 1.00 0.00 H new ATOM 0 HD13 ILE A 77 5.782 -9.338 5.857 1.00 0.00 H new ATOM 1158 N THR A 78 9.880 -13.848 4.315 1.00 0.00 N ATOM 1159 CA THR A 78 10.111 -15.259 4.599 1.00 0.00 C ATOM 1160 C THR A 78 10.226 -15.506 6.099 1.00 0.00 C ATOM 1161 O THR A 78 10.082 -14.585 6.904 1.00 0.00 O ATOM 1162 CB THR A 78 11.388 -15.770 3.906 1.00 0.00 C ATOM 1163 OG1 THR A 78 12.471 -14.866 4.146 1.00 0.00 O ATOM 1164 CG2 THR A 78 11.168 -15.920 2.409 1.00 0.00 C ATOM 0 H THR A 78 10.728 -13.282 4.273 1.00 0.00 H new ATOM 0 HA THR A 78 9.252 -15.805 4.209 1.00 0.00 H new ATOM 0 HB THR A 78 11.633 -16.748 4.321 1.00 0.00 H new ATOM 0 HG1 THR A 78 13.279 -15.199 3.703 1.00 0.00 H new ATOM 0 HG21 THR A 78 12.084 -16.282 1.941 1.00 0.00 H new ATOM 0 HG22 THR A 78 10.362 -16.632 2.229 1.00 0.00 H new ATOM 0 HG23 THR A 78 10.900 -14.954 1.982 1.00 0.00 H new ATOM 1172 N LYS A 79 10.487 -16.755 6.470 1.00 0.00 N ATOM 1173 CA LYS A 79 10.625 -17.124 7.874 1.00 0.00 C ATOM 1174 C LYS A 79 9.318 -16.895 8.627 1.00 0.00 C ATOM 1175 O LYS A 79 9.304 -16.279 9.693 1.00 0.00 O ATOM 1176 CB LYS A 79 11.750 -16.317 8.527 1.00 0.00 C ATOM 1177 CG LYS A 79 13.116 -16.576 7.917 1.00 0.00 C ATOM 1178 CD LYS A 79 13.810 -17.753 8.583 1.00 0.00 C ATOM 1179 CE LYS A 79 15.323 -17.655 8.452 1.00 0.00 C ATOM 1180 NZ LYS A 79 15.987 -18.963 8.705 1.00 0.00 N ATOM 0 H LYS A 79 10.607 -17.529 5.817 1.00 0.00 H new ATOM 0 HA LYS A 79 10.872 -18.185 7.923 1.00 0.00 H new ATOM 0 HB2 LYS A 79 11.520 -15.255 8.444 1.00 0.00 H new ATOM 0 HB3 LYS A 79 11.785 -16.553 9.591 1.00 0.00 H new ATOM 0 HG2 LYS A 79 13.008 -16.772 6.850 1.00 0.00 H new ATOM 0 HG3 LYS A 79 13.735 -15.684 8.016 1.00 0.00 H new ATOM 0 HD2 LYS A 79 13.537 -17.789 9.638 1.00 0.00 H new ATOM 0 HD3 LYS A 79 13.464 -18.683 8.132 1.00 0.00 H new ATOM 0 HE2 LYS A 79 15.579 -17.305 7.452 1.00 0.00 H new ATOM 0 HE3 LYS A 79 15.701 -16.914 9.156 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 17.017 -18.855 8.606 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 15.764 -19.285 9.668 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 15.645 -19.665 8.017 1.00 0.00 H new ATOM 1194 N LEU A 80 8.222 -17.396 8.066 1.00 0.00 N ATOM 1195 CA LEU A 80 6.910 -17.247 8.686 1.00 0.00 C ATOM 1196 C LEU A 80 6.291 -18.610 8.982 1.00 0.00 C ATOM 1197 O LEU A 80 6.912 -19.648 8.756 1.00 0.00 O ATOM 1198 CB LEU A 80 5.983 -16.439 7.776 1.00 0.00 C ATOM 1199 CG LEU A 80 6.487 -15.056 7.363 1.00 0.00 C ATOM 1200 CD1 LEU A 80 5.552 -14.432 6.339 1.00 0.00 C ATOM 1201 CD2 LEU A 80 6.626 -14.154 8.580 1.00 0.00 C ATOM 0 H LEU A 80 8.216 -17.908 7.184 1.00 0.00 H new ATOM 0 HA LEU A 80 7.038 -16.714 9.628 1.00 0.00 H new ATOM 0 HB2 LEU A 80 5.796 -17.020 6.873 1.00 0.00 H new ATOM 0 HB3 LEU A 80 5.025 -16.319 8.282 1.00 0.00 H new ATOM 0 HG LEU A 80 7.470 -15.170 6.906 1.00 0.00 H new ATOM 0 HD11 LEU A 80 5.926 -13.448 6.057 1.00 0.00 H new ATOM 0 HD12 LEU A 80 5.503 -15.069 5.456 1.00 0.00 H new ATOM 0 HD13 LEU A 80 4.556 -14.331 6.770 1.00 0.00 H new ATOM 0 HD21 LEU A 80 6.986 -13.174 8.267 1.00 0.00 H new ATOM 0 HD22 LEU A 80 5.656 -14.047 9.066 1.00 0.00 H new ATOM 0 HD23 LEU A 80 7.336 -14.595 9.280 1.00 0.00 H new ATOM 1213 N SER A 81 5.061 -18.598 9.486 1.00 0.00 N ATOM 1214 CA SER A 81 4.357 -19.832 9.815 1.00 0.00 C ATOM 1215 C SER A 81 2.990 -19.874 9.138 1.00 0.00 C ATOM 1216 O SER A 81 2.382 -18.845 8.845 1.00 0.00 O ATOM 1217 CB SER A 81 4.193 -19.963 11.330 1.00 0.00 C ATOM 1218 OG SER A 81 5.430 -20.263 11.953 1.00 0.00 O ATOM 0 H SER A 81 4.531 -17.747 9.675 1.00 0.00 H new ATOM 0 HA SER A 81 4.951 -20.669 9.448 1.00 0.00 H new ATOM 0 HB2 SER A 81 3.793 -19.034 11.737 1.00 0.00 H new ATOM 0 HB3 SER A 81 3.470 -20.747 11.554 1.00 0.00 H new ATOM 0 HG SER A 81 5.299 -20.340 12.921 1.00 0.00 H new ATOM 1224 N PRO A 82 2.495 -21.094 8.883 1.00 0.00 N ATOM 1225 CA PRO A 82 1.195 -21.302 8.239 1.00 0.00 C ATOM 1226 C PRO A 82 0.031 -20.911 9.143 1.00 0.00 C ATOM 1227 O PRO A 82 0.120 -21.016 10.366 1.00 0.00 O ATOM 1228 CB PRO A 82 1.174 -22.807 7.960 1.00 0.00 C ATOM 1229 CG PRO A 82 2.093 -23.393 8.975 1.00 0.00 C ATOM 1230 CD PRO A 82 3.166 -22.365 9.204 1.00 0.00 C ATOM 0 HA PRO A 82 1.080 -20.688 7.346 1.00 0.00 H new ATOM 0 HB2 PRO A 82 0.167 -23.213 8.056 1.00 0.00 H new ATOM 0 HB3 PRO A 82 1.511 -23.027 6.947 1.00 0.00 H new ATOM 0 HG2 PRO A 82 1.562 -23.615 9.900 1.00 0.00 H new ATOM 0 HG3 PRO A 82 2.520 -24.331 8.620 1.00 0.00 H new ATOM 0 HD2 PRO A 82 3.525 -22.381 10.233 1.00 0.00 H new ATOM 0 HD3 PRO A 82 4.030 -22.536 8.562 1.00 0.00 H new ATOM 1238 N ALA A 83 -1.061 -20.461 8.533 1.00 0.00 N ATOM 1239 CA ALA A 83 -2.243 -20.057 9.283 1.00 0.00 C ATOM 1240 C ALA A 83 -1.939 -18.869 10.190 1.00 0.00 C ATOM 1241 O ALA A 83 -2.438 -18.789 11.312 1.00 0.00 O ATOM 1242 CB ALA A 83 -2.774 -21.225 10.100 1.00 0.00 C ATOM 0 H ALA A 83 -1.151 -20.367 7.521 1.00 0.00 H new ATOM 0 HA ALA A 83 -3.008 -19.749 8.570 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -3.657 -20.909 10.655 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -3.039 -22.045 9.433 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -2.007 -21.559 10.798 1.00 0.00 H new ATOM 1248 N MET A 84 -1.116 -17.949 9.697 1.00 0.00 N ATOM 1249 CA MET A 84 -0.746 -16.766 10.464 1.00 0.00 C ATOM 1250 C MET A 84 -1.252 -15.497 9.784 1.00 0.00 C ATOM 1251 O MET A 84 -0.817 -15.155 8.686 1.00 0.00 O ATOM 1252 CB MET A 84 0.773 -16.696 10.634 1.00 0.00 C ATOM 1253 CG MET A 84 1.232 -15.570 11.546 1.00 0.00 C ATOM 1254 SD MET A 84 3.004 -15.620 11.874 1.00 0.00 S ATOM 1255 CE MET A 84 3.611 -14.483 10.630 1.00 0.00 C ATOM 0 H MET A 84 -0.693 -18.000 8.770 1.00 0.00 H new ATOM 0 HA MET A 84 -1.211 -16.841 11.447 1.00 0.00 H new ATOM 0 HB2 MET A 84 1.129 -17.645 11.035 1.00 0.00 H new ATOM 0 HB3 MET A 84 1.234 -16.570 9.655 1.00 0.00 H new ATOM 0 HG2 MET A 84 0.978 -14.613 11.091 1.00 0.00 H new ATOM 0 HG3 MET A 84 0.690 -15.628 12.490 1.00 0.00 H new ATOM 0 HE1 MET A 84 4.686 -14.615 10.510 1.00 0.00 H new ATOM 0 HE2 MET A 84 3.113 -14.682 9.681 1.00 0.00 H new ATOM 0 HE3 MET A 84 3.404 -13.459 10.941 1.00 0.00 H new ATOM 1265 N GLY A 85 -2.174 -14.804 10.445 1.00 0.00 N ATOM 1266 CA GLY A 85 -2.724 -13.582 9.889 1.00 0.00 C ATOM 1267 C GLY A 85 -1.856 -12.373 10.176 1.00 0.00 C ATOM 1268 O GLY A 85 -1.666 -11.996 11.333 1.00 0.00 O ATOM 0 H GLY A 85 -2.550 -15.067 11.356 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -2.838 -13.696 8.811 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -3.720 -13.416 10.299 1.00 0.00 H new ATOM 1272 N CYS A 86 -1.326 -11.763 9.121 1.00 0.00 N ATOM 1273 CA CYS A 86 -0.471 -10.591 9.264 1.00 0.00 C ATOM 1274 C CYS A 86 -1.042 -9.404 8.495 1.00 0.00 C ATOM 1275 O CYS A 86 -1.538 -9.554 7.378 1.00 0.00 O ATOM 1276 CB CYS A 86 0.943 -10.901 8.771 1.00 0.00 C ATOM 1277 SG CYS A 86 1.526 -12.559 9.198 1.00 0.00 S ATOM 0 H CYS A 86 -1.474 -12.061 8.157 1.00 0.00 H new ATOM 0 HA CYS A 86 -0.430 -10.330 10.321 1.00 0.00 H new ATOM 0 HB2 CYS A 86 0.972 -10.785 7.688 1.00 0.00 H new ATOM 0 HB3 CYS A 86 1.631 -10.166 9.189 1.00 0.00 H new ATOM 0 HG CYS A 86 0.597 -13.428 8.931 1.00 0.00 H new ATOM 1283 N LYS A 87 -0.969 -8.223 9.100 1.00 0.00 N ATOM 1284 CA LYS A 87 -1.479 -7.009 8.473 1.00 0.00 C ATOM 1285 C LYS A 87 -0.353 -6.232 7.798 1.00 0.00 C ATOM 1286 O LYS A 87 0.772 -6.192 8.296 1.00 0.00 O ATOM 1287 CB LYS A 87 -2.170 -6.125 9.513 1.00 0.00 C ATOM 1288 CG LYS A 87 -3.510 -6.668 9.979 1.00 0.00 C ATOM 1289 CD LYS A 87 -4.282 -5.635 10.783 1.00 0.00 C ATOM 1290 CE LYS A 87 -5.783 -5.860 10.684 1.00 0.00 C ATOM 1291 NZ LYS A 87 -6.551 -4.622 10.993 1.00 0.00 N ATOM 0 H LYS A 87 -0.561 -8.081 10.024 1.00 0.00 H new ATOM 0 HA LYS A 87 -2.204 -7.299 7.713 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -1.513 -6.012 10.376 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -2.317 -5.130 9.092 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -4.100 -6.973 9.115 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -3.351 -7.559 10.587 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -3.974 -5.681 11.828 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -4.038 -4.636 10.423 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -6.034 -6.202 9.680 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -6.078 -6.652 11.373 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -7.570 -4.817 10.915 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -6.332 -4.310 11.960 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -6.289 -3.874 10.320 1.00 0.00 H new ATOM 1305 N PHE A 88 -0.664 -5.615 6.663 1.00 0.00 N ATOM 1306 CA PHE A 88 0.321 -4.839 5.920 1.00 0.00 C ATOM 1307 C PHE A 88 -0.275 -3.517 5.443 1.00 0.00 C ATOM 1308 O PHE A 88 -1.440 -3.456 5.050 1.00 0.00 O ATOM 1309 CB PHE A 88 0.836 -5.640 4.723 1.00 0.00 C ATOM 1310 CG PHE A 88 1.282 -7.030 5.079 1.00 0.00 C ATOM 1311 CD1 PHE A 88 2.594 -7.277 5.451 1.00 0.00 C ATOM 1312 CD2 PHE A 88 0.390 -8.089 5.042 1.00 0.00 C ATOM 1313 CE1 PHE A 88 3.007 -8.554 5.779 1.00 0.00 C ATOM 1314 CE2 PHE A 88 0.797 -9.369 5.369 1.00 0.00 C ATOM 1315 CZ PHE A 88 2.107 -9.601 5.739 1.00 0.00 C ATOM 0 H PHE A 88 -1.591 -5.638 6.238 1.00 0.00 H new ATOM 0 HA PHE A 88 1.154 -4.622 6.588 1.00 0.00 H new ATOM 0 HB2 PHE A 88 0.049 -5.701 3.971 1.00 0.00 H new ATOM 0 HB3 PHE A 88 1.670 -5.104 4.269 1.00 0.00 H new ATOM 0 HD1 PHE A 88 3.302 -6.462 5.485 1.00 0.00 H new ATOM 0 HD2 PHE A 88 -0.636 -7.913 4.754 1.00 0.00 H new ATOM 0 HE1 PHE A 88 4.032 -8.733 6.066 1.00 0.00 H new ATOM 0 HE2 PHE A 88 0.092 -10.186 5.335 1.00 0.00 H new ATOM 0 HZ PHE A 88 2.427 -10.600 5.997 1.00 0.00 H new ATOM 1325 N ARG A 89 0.533 -2.463 5.480 1.00 0.00 N ATOM 1326 CA ARG A 89 0.086 -1.142 5.054 1.00 0.00 C ATOM 1327 C ARG A 89 1.149 -0.458 4.200 1.00 0.00 C ATOM 1328 O ARG A 89 2.334 -0.469 4.537 1.00 0.00 O ATOM 1329 CB ARG A 89 -0.243 -0.275 6.270 1.00 0.00 C ATOM 1330 CG ARG A 89 0.925 -0.099 7.227 1.00 0.00 C ATOM 1331 CD ARG A 89 0.598 0.897 8.329 1.00 0.00 C ATOM 1332 NE ARG A 89 -0.453 0.405 9.216 1.00 0.00 N ATOM 1333 CZ ARG A 89 -1.165 1.189 10.017 1.00 0.00 C ATOM 1334 NH1 ARG A 89 -0.941 2.496 10.042 1.00 0.00 N ATOM 1335 NH2 ARG A 89 -2.104 0.667 10.796 1.00 0.00 N ATOM 0 H ARG A 89 1.501 -2.498 5.801 1.00 0.00 H new ATOM 0 HA ARG A 89 -0.814 -1.267 4.452 1.00 0.00 H new ATOM 0 HB2 ARG A 89 -0.572 0.706 5.928 1.00 0.00 H new ATOM 0 HB3 ARG A 89 -1.079 -0.722 6.809 1.00 0.00 H new ATOM 0 HG2 ARG A 89 1.182 -1.061 7.670 1.00 0.00 H new ATOM 0 HG3 ARG A 89 1.801 0.242 6.675 1.00 0.00 H new ATOM 0 HD2 ARG A 89 1.497 1.102 8.911 1.00 0.00 H new ATOM 0 HD3 ARG A 89 0.284 1.841 7.883 1.00 0.00 H new ATOM 0 HE ARG A 89 -0.651 -0.596 9.220 1.00 0.00 H new ATOM 0 HH11 ARG A 89 -0.220 2.901 9.445 1.00 0.00 H new ATOM 0 HH12 ARG A 89 -1.490 3.096 10.658 1.00 0.00 H new ATOM 0 HH21 ARG A 89 -2.280 -0.338 10.780 1.00 0.00 H new ATOM 0 HH22 ARG A 89 -2.650 1.270 11.411 1.00 0.00 H new ATOM 1349 N LEU A 90 0.719 0.137 3.093 1.00 0.00 N ATOM 1350 CA LEU A 90 1.633 0.826 2.189 1.00 0.00 C ATOM 1351 C LEU A 90 1.404 2.334 2.229 1.00 0.00 C ATOM 1352 O LEU A 90 0.265 2.799 2.229 1.00 0.00 O ATOM 1353 CB LEU A 90 1.456 0.310 0.761 1.00 0.00 C ATOM 1354 CG LEU A 90 2.441 0.852 -0.276 1.00 0.00 C ATOM 1355 CD1 LEU A 90 3.799 0.185 -0.122 1.00 0.00 C ATOM 1356 CD2 LEU A 90 1.900 0.647 -1.684 1.00 0.00 C ATOM 0 H LEU A 90 -0.258 0.156 2.800 1.00 0.00 H new ATOM 0 HA LEU A 90 2.652 0.622 2.518 1.00 0.00 H new ATOM 0 HB2 LEU A 90 1.537 -0.777 0.776 1.00 0.00 H new ATOM 0 HB3 LEU A 90 0.445 0.550 0.432 1.00 0.00 H new ATOM 0 HG LEU A 90 2.564 1.922 -0.108 1.00 0.00 H new ATOM 0 HD11 LEU A 90 4.487 0.583 -0.868 1.00 0.00 H new ATOM 0 HD12 LEU A 90 4.191 0.384 0.875 1.00 0.00 H new ATOM 0 HD13 LEU A 90 3.694 -0.891 -0.263 1.00 0.00 H new ATOM 0 HD21 LEU A 90 2.614 1.039 -2.409 1.00 0.00 H new ATOM 0 HD22 LEU A 90 1.747 -0.417 -1.864 1.00 0.00 H new ATOM 0 HD23 LEU A 90 0.951 1.173 -1.789 1.00 0.00 H new ATOM 1368 N SER A 91 2.496 3.092 2.261 1.00 0.00 N ATOM 1369 CA SER A 91 2.414 4.548 2.302 1.00 0.00 C ATOM 1370 C SER A 91 3.558 5.178 1.513 1.00 0.00 C ATOM 1371 O SER A 91 4.693 4.705 1.559 1.00 0.00 O ATOM 1372 CB SER A 91 2.446 5.040 3.750 1.00 0.00 C ATOM 1373 OG SER A 91 3.686 4.738 4.365 1.00 0.00 O ATOM 0 H SER A 91 3.447 2.723 2.259 1.00 0.00 H new ATOM 0 HA SER A 91 1.471 4.848 1.844 1.00 0.00 H new ATOM 0 HB2 SER A 91 2.277 6.117 3.775 1.00 0.00 H new ATOM 0 HB3 SER A 91 1.635 4.577 4.313 1.00 0.00 H new ATOM 0 HG SER A 91 3.527 4.252 5.201 1.00 0.00 H new ATOM 1379 N ALA A 92 3.249 6.250 0.791 1.00 0.00 N ATOM 1380 CA ALA A 92 4.250 6.948 -0.006 1.00 0.00 C ATOM 1381 C ALA A 92 4.694 8.238 0.676 1.00 0.00 C ATOM 1382 O ALA A 92 3.866 9.025 1.134 1.00 0.00 O ATOM 1383 CB ALA A 92 3.705 7.244 -1.396 1.00 0.00 C ATOM 0 H ALA A 92 2.314 6.654 0.742 1.00 0.00 H new ATOM 0 HA ALA A 92 5.121 6.299 -0.099 1.00 0.00 H new ATOM 0 HB1 ALA A 92 4.463 7.766 -1.981 1.00 0.00 H new ATOM 0 HB2 ALA A 92 3.445 6.309 -1.891 1.00 0.00 H new ATOM 0 HB3 ALA A 92 2.817 7.870 -1.313 1.00 0.00 H new ATOM 1389 N ARG A 93 6.005 8.446 0.740 1.00 0.00 N ATOM 1390 CA ARG A 93 6.558 9.640 1.369 1.00 0.00 C ATOM 1391 C ARG A 93 7.393 10.441 0.374 1.00 0.00 C ATOM 1392 O ARG A 93 8.280 9.899 -0.285 1.00 0.00 O ATOM 1393 CB ARG A 93 7.415 9.256 2.576 1.00 0.00 C ATOM 1394 CG ARG A 93 8.126 10.436 3.219 1.00 0.00 C ATOM 1395 CD ARG A 93 9.260 9.978 4.123 1.00 0.00 C ATOM 1396 NE ARG A 93 10.012 11.103 4.671 1.00 0.00 N ATOM 1397 CZ ARG A 93 10.844 11.850 3.953 1.00 0.00 C ATOM 1398 NH1 ARG A 93 11.028 11.592 2.665 1.00 0.00 N ATOM 1399 NH2 ARG A 93 11.493 12.858 4.522 1.00 0.00 N ATOM 0 H ARG A 93 6.703 7.804 0.365 1.00 0.00 H new ATOM 0 HA ARG A 93 5.728 10.261 1.704 1.00 0.00 H new ATOM 0 HB2 ARG A 93 6.782 8.774 3.321 1.00 0.00 H new ATOM 0 HB3 ARG A 93 8.157 8.521 2.265 1.00 0.00 H new ATOM 0 HG2 ARG A 93 8.520 11.092 2.443 1.00 0.00 H new ATOM 0 HG3 ARG A 93 7.412 11.021 3.798 1.00 0.00 H new ATOM 0 HD2 ARG A 93 8.854 9.381 4.940 1.00 0.00 H new ATOM 0 HD3 ARG A 93 9.934 9.332 3.560 1.00 0.00 H new ATOM 0 HE ARG A 93 9.892 11.328 5.659 1.00 0.00 H new ATOM 0 HH11 ARG A 93 10.530 10.819 2.224 1.00 0.00 H new ATOM 0 HH12 ARG A 93 11.667 12.167 2.116 1.00 0.00 H new ATOM 0 HH21 ARG A 93 11.354 13.060 5.512 1.00 0.00 H new ATOM 0 HH22 ARG A 93 12.131 13.430 3.969 1.00 0.00 H new ATOM 1413 N ASN A 94 7.102 11.733 0.270 1.00 0.00 N ATOM 1414 CA ASN A 94 7.824 12.609 -0.645 1.00 0.00 C ATOM 1415 C ASN A 94 8.497 13.751 0.111 1.00 0.00 C ATOM 1416 O ASN A 94 8.461 13.800 1.340 1.00 0.00 O ATOM 1417 CB ASN A 94 6.873 13.173 -1.703 1.00 0.00 C ATOM 1418 CG ASN A 94 5.682 13.883 -1.089 1.00 0.00 C ATOM 1419 OD1 ASN A 94 5.561 13.973 0.133 1.00 0.00 O ATOM 1420 ND2 ASN A 94 4.794 14.390 -1.936 1.00 0.00 N ATOM 0 H ASN A 94 6.371 12.197 0.809 1.00 0.00 H new ATOM 0 HA ASN A 94 8.596 12.019 -1.138 1.00 0.00 H new ATOM 0 HB2 ASN A 94 7.417 13.868 -2.343 1.00 0.00 H new ATOM 0 HB3 ASN A 94 6.520 12.362 -2.340 1.00 0.00 H new ATOM 0 HD21 ASN A 94 3.971 14.878 -1.581 1.00 0.00 H new ATOM 0 HD22 ASN A 94 4.935 14.292 -2.942 1.00 0.00 H new ATOM 1427 N ASP A 95 9.108 14.666 -0.633 1.00 0.00 N ATOM 1428 CA ASP A 95 9.787 15.809 -0.034 1.00 0.00 C ATOM 1429 C ASP A 95 8.980 16.371 1.132 1.00 0.00 C ATOM 1430 O ASP A 95 9.539 16.927 2.077 1.00 0.00 O ATOM 1431 CB ASP A 95 10.020 16.898 -1.082 1.00 0.00 C ATOM 1432 CG ASP A 95 11.061 17.910 -0.644 1.00 0.00 C ATOM 1433 OD1 ASP A 95 12.253 17.543 -0.576 1.00 0.00 O ATOM 1434 OD2 ASP A 95 10.684 19.068 -0.371 1.00 0.00 O ATOM 0 H ASP A 95 9.147 14.639 -1.652 1.00 0.00 H new ATOM 0 HA ASP A 95 10.751 15.470 0.345 1.00 0.00 H new ATOM 0 HB2 ASP A 95 10.337 16.436 -2.017 1.00 0.00 H new ATOM 0 HB3 ASP A 95 9.080 17.412 -1.283 1.00 0.00 H new ATOM 1439 N TYR A 96 7.662 16.224 1.057 1.00 0.00 N ATOM 1440 CA TYR A 96 6.776 16.720 2.104 1.00 0.00 C ATOM 1441 C TYR A 96 6.790 15.792 3.315 1.00 0.00 C ATOM 1442 O TYR A 96 7.263 16.160 4.389 1.00 0.00 O ATOM 1443 CB TYR A 96 5.350 16.860 1.571 1.00 0.00 C ATOM 1444 CG TYR A 96 5.235 17.788 0.383 1.00 0.00 C ATOM 1445 CD1 TYR A 96 5.463 17.328 -0.908 1.00 0.00 C ATOM 1446 CD2 TYR A 96 4.899 19.126 0.551 1.00 0.00 C ATOM 1447 CE1 TYR A 96 5.361 18.172 -1.996 1.00 0.00 C ATOM 1448 CE2 TYR A 96 4.792 19.977 -0.531 1.00 0.00 C ATOM 1449 CZ TYR A 96 5.025 19.496 -1.803 1.00 0.00 C ATOM 1450 OH TYR A 96 4.920 20.341 -2.884 1.00 0.00 O ATOM 0 H TYR A 96 7.183 15.765 0.282 1.00 0.00 H new ATOM 0 HA TYR A 96 7.138 17.700 2.416 1.00 0.00 H new ATOM 0 HB2 TYR A 96 4.978 15.875 1.289 1.00 0.00 H new ATOM 0 HB3 TYR A 96 4.707 17.226 2.371 1.00 0.00 H new ATOM 0 HD1 TYR A 96 5.725 16.292 -1.063 1.00 0.00 H new ATOM 0 HD2 TYR A 96 4.718 19.507 1.545 1.00 0.00 H new ATOM 0 HE1 TYR A 96 5.543 17.798 -2.993 1.00 0.00 H new ATOM 0 HE2 TYR A 96 4.527 21.013 -0.382 1.00 0.00 H new ATOM 0 HH TYR A 96 4.675 21.238 -2.575 1.00 0.00 H new ATOM 1460 N GLY A 97 6.268 14.583 3.131 1.00 0.00 N ATOM 1461 CA GLY A 97 6.230 13.619 4.215 1.00 0.00 C ATOM 1462 C GLY A 97 5.493 12.349 3.837 1.00 0.00 C ATOM 1463 O GLY A 97 5.002 12.217 2.715 1.00 0.00 O ATOM 0 H GLY A 97 5.871 14.254 2.251 1.00 0.00 H new ATOM 0 HA2 GLY A 97 7.249 13.370 4.511 1.00 0.00 H new ATOM 0 HA3 GLY A 97 5.748 14.071 5.082 1.00 0.00 H new ATOM 1467 N THR A 98 5.415 11.410 4.774 1.00 0.00 N ATOM 1468 CA THR A 98 4.736 10.143 4.533 1.00 0.00 C ATOM 1469 C THR A 98 3.223 10.327 4.509 1.00 0.00 C ATOM 1470 O THR A 98 2.608 10.626 5.533 1.00 0.00 O ATOM 1471 CB THR A 98 5.098 9.098 5.604 1.00 0.00 C ATOM 1472 OG1 THR A 98 6.498 8.803 5.547 1.00 0.00 O ATOM 1473 CG2 THR A 98 4.298 7.820 5.406 1.00 0.00 C ATOM 0 H THR A 98 5.814 11.503 5.708 1.00 0.00 H new ATOM 0 HA THR A 98 5.072 9.785 3.560 1.00 0.00 H new ATOM 0 HB THR A 98 4.853 9.513 6.582 1.00 0.00 H new ATOM 0 HG1 THR A 98 6.721 8.139 6.232 1.00 0.00 H new ATOM 0 HG21 THR A 98 4.571 7.097 6.175 1.00 0.00 H new ATOM 0 HG22 THR A 98 3.233 8.042 5.479 1.00 0.00 H new ATOM 0 HG23 THR A 98 4.515 7.403 4.422 1.00 0.00 H new ATOM 1481 N SER A 99 2.627 10.144 3.335 1.00 0.00 N ATOM 1482 CA SER A 99 1.185 10.293 3.178 1.00 0.00 C ATOM 1483 C SER A 99 0.441 9.181 3.912 1.00 0.00 C ATOM 1484 O SER A 99 0.988 8.105 4.149 1.00 0.00 O ATOM 1485 CB SER A 99 0.808 10.282 1.696 1.00 0.00 C ATOM 1486 OG SER A 99 0.528 8.966 1.250 1.00 0.00 O ATOM 0 H SER A 99 3.121 9.892 2.479 1.00 0.00 H new ATOM 0 HA SER A 99 0.894 11.250 3.612 1.00 0.00 H new ATOM 0 HB2 SER A 99 -0.063 10.917 1.535 1.00 0.00 H new ATOM 0 HB3 SER A 99 1.623 10.703 1.107 1.00 0.00 H new ATOM 0 HG SER A 99 0.129 9.002 0.356 1.00 0.00 H new ATOM 1492 N GLY A 100 -0.811 9.451 4.269 1.00 0.00 N ATOM 1493 CA GLY A 100 -1.610 8.465 4.972 1.00 0.00 C ATOM 1494 C GLY A 100 -1.291 7.047 4.543 1.00 0.00 C ATOM 1495 O GLY A 100 -0.907 6.809 3.397 1.00 0.00 O ATOM 0 H GLY A 100 -1.286 10.335 4.084 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -1.442 8.563 6.044 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -2.667 8.666 4.796 1.00 0.00 H new ATOM 1499 N PHE A 101 -1.449 6.102 5.464 1.00 0.00 N ATOM 1500 CA PHE A 101 -1.172 4.699 5.175 1.00 0.00 C ATOM 1501 C PHE A 101 -2.404 4.010 4.597 1.00 0.00 C ATOM 1502 O PHE A 101 -3.496 4.093 5.158 1.00 0.00 O ATOM 1503 CB PHE A 101 -0.717 3.975 6.444 1.00 0.00 C ATOM 1504 CG PHE A 101 0.603 4.462 6.971 1.00 0.00 C ATOM 1505 CD1 PHE A 101 0.662 5.537 7.843 1.00 0.00 C ATOM 1506 CD2 PHE A 101 1.784 3.844 6.594 1.00 0.00 C ATOM 1507 CE1 PHE A 101 1.875 5.987 8.330 1.00 0.00 C ATOM 1508 CE2 PHE A 101 3.000 4.289 7.078 1.00 0.00 C ATOM 1509 CZ PHE A 101 3.045 5.362 7.946 1.00 0.00 C ATOM 0 H PHE A 101 -1.767 6.282 6.416 1.00 0.00 H new ATOM 0 HA PHE A 101 -0.373 4.657 4.435 1.00 0.00 H new ATOM 0 HB2 PHE A 101 -1.476 4.100 7.216 1.00 0.00 H new ATOM 0 HB3 PHE A 101 -0.645 2.907 6.238 1.00 0.00 H new ATOM 0 HD1 PHE A 101 -0.250 6.029 8.146 1.00 0.00 H new ATOM 0 HD2 PHE A 101 1.754 3.005 5.914 1.00 0.00 H new ATOM 0 HE1 PHE A 101 1.908 6.826 9.010 1.00 0.00 H new ATOM 0 HE2 PHE A 101 3.914 3.798 6.778 1.00 0.00 H new ATOM 0 HZ PHE A 101 3.994 5.712 8.324 1.00 0.00 H new ATOM 1519 N SER A 102 -2.220 3.329 3.470 1.00 0.00 N ATOM 1520 CA SER A 102 -3.317 2.628 2.812 1.00 0.00 C ATOM 1521 C SER A 102 -4.117 1.805 3.818 1.00 0.00 C ATOM 1522 O SER A 102 -3.735 1.688 4.982 1.00 0.00 O ATOM 1523 CB SER A 102 -2.778 1.718 1.706 1.00 0.00 C ATOM 1524 OG SER A 102 -2.139 0.577 2.251 1.00 0.00 O ATOM 0 H SER A 102 -1.322 3.248 2.994 1.00 0.00 H new ATOM 0 HA SER A 102 -3.979 3.373 2.370 1.00 0.00 H new ATOM 0 HB2 SER A 102 -3.596 1.405 1.057 1.00 0.00 H new ATOM 0 HB3 SER A 102 -2.073 2.272 1.086 1.00 0.00 H new ATOM 0 HG SER A 102 -2.594 -0.233 1.939 1.00 0.00 H new ATOM 1530 N GLU A 103 -5.228 1.239 3.359 1.00 0.00 N ATOM 1531 CA GLU A 103 -6.083 0.429 4.218 1.00 0.00 C ATOM 1532 C GLU A 103 -5.367 -0.849 4.648 1.00 0.00 C ATOM 1533 O GLU A 103 -4.935 -1.641 3.811 1.00 0.00 O ATOM 1534 CB GLU A 103 -7.385 0.078 3.496 1.00 0.00 C ATOM 1535 CG GLU A 103 -8.400 1.209 3.488 1.00 0.00 C ATOM 1536 CD GLU A 103 -9.813 0.723 3.229 1.00 0.00 C ATOM 1537 OE1 GLU A 103 -10.055 0.158 2.142 1.00 0.00 O ATOM 1538 OE2 GLU A 103 -10.676 0.909 4.112 1.00 0.00 O ATOM 0 H GLU A 103 -5.557 1.326 2.398 1.00 0.00 H new ATOM 0 HA GLU A 103 -6.316 1.013 5.109 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -7.156 -0.201 2.467 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -7.831 -0.796 3.972 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -8.368 1.728 4.446 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -8.124 1.935 2.723 1.00 0.00 H new ATOM 1545 N GLU A 104 -5.246 -1.041 5.958 1.00 0.00 N ATOM 1546 CA GLU A 104 -4.582 -2.221 6.498 1.00 0.00 C ATOM 1547 C GLU A 104 -5.219 -3.498 5.959 1.00 0.00 C ATOM 1548 O GLU A 104 -6.427 -3.701 6.077 1.00 0.00 O ATOM 1549 CB GLU A 104 -4.644 -2.213 8.027 1.00 0.00 C ATOM 1550 CG GLU A 104 -4.141 -0.923 8.650 1.00 0.00 C ATOM 1551 CD GLU A 104 -5.241 0.104 8.837 1.00 0.00 C ATOM 1552 OE1 GLU A 104 -6.227 -0.205 9.538 1.00 0.00 O ATOM 1553 OE2 GLU A 104 -5.116 1.215 8.282 1.00 0.00 O ATOM 0 H GLU A 104 -5.599 -0.395 6.664 1.00 0.00 H new ATOM 0 HA GLU A 104 -3.539 -2.195 6.184 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -5.674 -2.381 8.341 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -4.054 -3.046 8.410 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -3.687 -1.144 9.616 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -3.359 -0.501 8.020 1.00 0.00 H new ATOM 1560 N VAL A 105 -4.396 -4.358 5.365 1.00 0.00 N ATOM 1561 CA VAL A 105 -4.877 -5.616 4.807 1.00 0.00 C ATOM 1562 C VAL A 105 -4.339 -6.807 5.593 1.00 0.00 C ATOM 1563 O VAL A 105 -3.128 -6.968 5.747 1.00 0.00 O ATOM 1564 CB VAL A 105 -4.472 -5.766 3.329 1.00 0.00 C ATOM 1565 CG1 VAL A 105 -5.127 -4.684 2.484 1.00 0.00 C ATOM 1566 CG2 VAL A 105 -2.958 -5.724 3.185 1.00 0.00 C ATOM 0 H VAL A 105 -3.393 -4.206 5.258 1.00 0.00 H new ATOM 0 HA VAL A 105 -5.965 -5.598 4.878 1.00 0.00 H new ATOM 0 HB VAL A 105 -4.821 -6.734 2.970 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -4.829 -4.806 1.442 1.00 0.00 H new ATOM 0 HG12 VAL A 105 -6.211 -4.766 2.564 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -4.811 -3.703 2.839 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -2.689 -5.831 2.134 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -2.583 -4.772 3.560 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -2.515 -6.539 3.758 1.00 0.00 H new ATOM 1576 N LEU A 106 -5.248 -7.639 6.089 1.00 0.00 N ATOM 1577 CA LEU A 106 -4.865 -8.817 6.860 1.00 0.00 C ATOM 1578 C LEU A 106 -4.838 -10.061 5.977 1.00 0.00 C ATOM 1579 O LEU A 106 -5.878 -10.524 5.507 1.00 0.00 O ATOM 1580 CB LEU A 106 -5.835 -9.026 8.024 1.00 0.00 C ATOM 1581 CG LEU A 106 -5.567 -10.242 8.912 1.00 0.00 C ATOM 1582 CD1 LEU A 106 -4.217 -10.112 9.601 1.00 0.00 C ATOM 1583 CD2 LEU A 106 -6.677 -10.409 9.939 1.00 0.00 C ATOM 0 H LEU A 106 -6.254 -7.520 5.971 1.00 0.00 H new ATOM 0 HA LEU A 106 -3.862 -8.652 7.255 1.00 0.00 H new ATOM 0 HB2 LEU A 106 -5.818 -8.134 8.650 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -6.843 -9.112 7.619 1.00 0.00 H new ATOM 0 HG LEU A 106 -5.547 -11.131 8.281 1.00 0.00 H new ATOM 0 HD11 LEU A 106 -4.043 -10.986 10.229 1.00 0.00 H new ATOM 0 HD12 LEU A 106 -3.430 -10.042 8.850 1.00 0.00 H new ATOM 0 HD13 LEU A 106 -4.209 -9.214 10.219 1.00 0.00 H new ATOM 0 HD21 LEU A 106 -6.469 -11.279 10.562 1.00 0.00 H new ATOM 0 HD22 LEU A 106 -6.730 -9.519 10.566 1.00 0.00 H new ATOM 0 HD23 LEU A 106 -7.629 -10.549 9.427 1.00 0.00 H new ATOM 1595 N TYR A 107 -3.643 -10.597 5.756 1.00 0.00 N ATOM 1596 CA TYR A 107 -3.480 -11.787 4.929 1.00 0.00 C ATOM 1597 C TYR A 107 -3.127 -13.000 5.784 1.00 0.00 C ATOM 1598 O TYR A 107 -2.460 -12.877 6.811 1.00 0.00 O ATOM 1599 CB TYR A 107 -2.395 -11.557 3.876 1.00 0.00 C ATOM 1600 CG TYR A 107 -2.878 -10.788 2.667 1.00 0.00 C ATOM 1601 CD1 TYR A 107 -3.583 -11.424 1.652 1.00 0.00 C ATOM 1602 CD2 TYR A 107 -2.628 -9.428 2.538 1.00 0.00 C ATOM 1603 CE1 TYR A 107 -4.025 -10.726 0.544 1.00 0.00 C ATOM 1604 CE2 TYR A 107 -3.068 -8.722 1.435 1.00 0.00 C ATOM 1605 CZ TYR A 107 -3.766 -9.375 0.441 1.00 0.00 C ATOM 1606 OH TYR A 107 -4.204 -8.676 -0.660 1.00 0.00 O ATOM 0 H TYR A 107 -2.773 -10.226 6.138 1.00 0.00 H new ATOM 0 HA TYR A 107 -4.428 -11.983 4.427 1.00 0.00 H new ATOM 0 HB2 TYR A 107 -1.566 -11.016 4.333 1.00 0.00 H new ATOM 0 HB3 TYR A 107 -2.006 -12.522 3.551 1.00 0.00 H new ATOM 0 HD1 TYR A 107 -3.789 -12.481 1.730 1.00 0.00 H new ATOM 0 HD2 TYR A 107 -2.080 -8.913 3.313 1.00 0.00 H new ATOM 0 HE1 TYR A 107 -4.570 -11.235 -0.237 1.00 0.00 H new ATOM 0 HE2 TYR A 107 -2.866 -7.664 1.352 1.00 0.00 H new ATOM 0 HH TYR A 107 -4.157 -7.714 -0.477 1.00 0.00 H new ATOM 1616 N TYR A 108 -3.578 -14.172 5.351 1.00 0.00 N ATOM 1617 CA TYR A 108 -3.312 -15.409 6.075 1.00 0.00 C ATOM 1618 C TYR A 108 -2.481 -16.368 5.229 1.00 0.00 C ATOM 1619 O TYR A 108 -2.952 -16.892 4.219 1.00 0.00 O ATOM 1620 CB TYR A 108 -4.625 -16.078 6.484 1.00 0.00 C ATOM 1621 CG TYR A 108 -5.115 -15.663 7.853 1.00 0.00 C ATOM 1622 CD1 TYR A 108 -5.776 -14.455 8.040 1.00 0.00 C ATOM 1623 CD2 TYR A 108 -4.917 -16.479 8.960 1.00 0.00 C ATOM 1624 CE1 TYR A 108 -6.225 -14.072 9.289 1.00 0.00 C ATOM 1625 CE2 TYR A 108 -5.364 -16.105 10.213 1.00 0.00 C ATOM 1626 CZ TYR A 108 -6.017 -14.900 10.372 1.00 0.00 C ATOM 1627 OH TYR A 108 -6.462 -14.523 11.618 1.00 0.00 O ATOM 0 H TYR A 108 -4.130 -14.291 4.502 1.00 0.00 H new ATOM 0 HA TYR A 108 -2.744 -15.160 6.972 1.00 0.00 H new ATOM 0 HB2 TYR A 108 -5.390 -15.839 5.746 1.00 0.00 H new ATOM 0 HB3 TYR A 108 -4.493 -17.160 6.467 1.00 0.00 H new ATOM 0 HD1 TYR A 108 -5.942 -13.804 7.194 1.00 0.00 H new ATOM 0 HD2 TYR A 108 -4.405 -17.422 8.839 1.00 0.00 H new ATOM 0 HE1 TYR A 108 -6.736 -13.129 9.417 1.00 0.00 H new ATOM 0 HE2 TYR A 108 -5.203 -16.752 11.063 1.00 0.00 H new ATOM 0 HH TYR A 108 -6.237 -15.219 12.270 1.00 0.00 H new ATOM 1637 N THR A 109 -1.241 -16.596 5.649 1.00 0.00 N ATOM 1638 CA THR A 109 -0.343 -17.491 4.931 1.00 0.00 C ATOM 1639 C THR A 109 -1.085 -18.720 4.419 1.00 0.00 C ATOM 1640 O THR A 109 -2.152 -19.068 4.925 1.00 0.00 O ATOM 1641 CB THR A 109 0.828 -17.947 5.823 1.00 0.00 C ATOM 1642 OG1 THR A 109 0.326 -18.496 7.047 1.00 0.00 O ATOM 1643 CG2 THR A 109 1.761 -16.785 6.127 1.00 0.00 C ATOM 0 H THR A 109 -0.835 -16.173 6.484 1.00 0.00 H new ATOM 0 HA THR A 109 0.052 -16.929 4.084 1.00 0.00 H new ATOM 0 HB THR A 109 1.389 -18.711 5.286 1.00 0.00 H new ATOM 0 HG1 THR A 109 1.054 -18.558 7.700 1.00 0.00 H new ATOM 0 HG21 THR A 109 2.580 -17.131 6.758 1.00 0.00 H new ATOM 0 HG22 THR A 109 2.164 -16.388 5.195 1.00 0.00 H new ATOM 0 HG23 THR A 109 1.209 -16.001 6.646 1.00 0.00 H new ATOM 1651 N SER A 110 -0.514 -19.375 3.413 1.00 0.00 N ATOM 1652 CA SER A 110 -1.124 -20.565 2.831 1.00 0.00 C ATOM 1653 C SER A 110 -1.418 -21.606 3.906 1.00 0.00 C ATOM 1654 O SER A 110 -0.778 -21.629 4.956 1.00 0.00 O ATOM 1655 CB SER A 110 -0.206 -21.163 1.763 1.00 0.00 C ATOM 1656 OG SER A 110 -0.852 -22.215 1.067 1.00 0.00 O ATOM 0 H SER A 110 0.370 -19.102 2.984 1.00 0.00 H new ATOM 0 HA SER A 110 -2.066 -20.271 2.368 1.00 0.00 H new ATOM 0 HB2 SER A 110 0.092 -20.386 1.059 1.00 0.00 H new ATOM 0 HB3 SER A 110 0.705 -21.537 2.230 1.00 0.00 H new ATOM 0 HG SER A 110 -0.246 -22.579 0.389 1.00 0.00 H new ATOM 1662 N GLY A 111 -2.394 -22.468 3.635 1.00 0.00 N ATOM 1663 CA GLY A 111 -2.758 -23.500 4.588 1.00 0.00 C ATOM 1664 C GLY A 111 -3.977 -24.288 4.152 1.00 0.00 C ATOM 1665 O GLY A 111 -4.084 -24.686 2.991 1.00 0.00 O ATOM 0 H GLY A 111 -2.939 -22.470 2.773 1.00 0.00 H new ATOM 0 HA2 GLY A 111 -1.917 -24.181 4.720 1.00 0.00 H new ATOM 0 HA3 GLY A 111 -2.953 -23.042 5.558 1.00 0.00 H new ATOM 1669 N CYS A 112 -4.896 -24.516 5.083 1.00 0.00 N ATOM 1670 CA CYS A 112 -6.113 -25.265 4.789 1.00 0.00 C ATOM 1671 C CYS A 112 -6.609 -24.965 3.378 1.00 0.00 C ATOM 1672 O CYS A 112 -6.962 -23.829 3.062 1.00 0.00 O ATOM 1673 CB CYS A 112 -7.203 -24.928 5.807 1.00 0.00 C ATOM 1674 SG CYS A 112 -6.882 -25.563 7.470 1.00 0.00 S ATOM 0 H CYS A 112 -4.822 -24.193 6.048 1.00 0.00 H new ATOM 0 HA CYS A 112 -5.880 -26.328 4.855 1.00 0.00 H new ATOM 0 HB2 CYS A 112 -7.315 -23.845 5.859 1.00 0.00 H new ATOM 0 HB3 CYS A 112 -8.152 -25.330 5.453 1.00 0.00 H new ATOM 0 HG CYS A 112 -7.858 -25.225 8.259 1.00 0.00 H new ATOM 1680 N SER A 113 -6.630 -25.991 2.533 1.00 0.00 N ATOM 1681 CA SER A 113 -7.077 -25.836 1.154 1.00 0.00 C ATOM 1682 C SER A 113 -8.557 -26.180 1.020 1.00 0.00 C ATOM 1683 O SER A 113 -9.053 -27.101 1.668 1.00 0.00 O ATOM 1684 CB SER A 113 -6.249 -26.725 0.224 1.00 0.00 C ATOM 1685 OG SER A 113 -6.525 -26.438 -1.136 1.00 0.00 O ATOM 0 H SER A 113 -6.343 -26.938 2.779 1.00 0.00 H new ATOM 0 HA SER A 113 -6.937 -24.793 0.868 1.00 0.00 H new ATOM 0 HB2 SER A 113 -5.188 -26.575 0.422 1.00 0.00 H new ATOM 0 HB3 SER A 113 -6.467 -27.773 0.429 1.00 0.00 H new ATOM 0 HG SER A 113 -5.982 -27.018 -1.709 1.00 0.00 H new ATOM 1691 N GLY A 114 -9.259 -25.432 0.174 1.00 0.00 N ATOM 1692 CA GLY A 114 -10.675 -25.673 -0.030 1.00 0.00 C ATOM 1693 C GLY A 114 -11.060 -25.658 -1.496 1.00 0.00 C ATOM 1694 O GLY A 114 -10.211 -25.731 -2.384 1.00 0.00 O ATOM 0 H GLY A 114 -8.872 -24.663 -0.374 1.00 0.00 H new ATOM 0 HA2 GLY A 114 -10.942 -26.637 0.403 1.00 0.00 H new ATOM 0 HA3 GLY A 114 -11.250 -24.914 0.501 1.00 0.00 H new ATOM 1698 N PRO A 115 -12.371 -25.565 -1.767 1.00 0.00 N ATOM 1699 CA PRO A 115 -12.897 -25.540 -3.135 1.00 0.00 C ATOM 1700 C PRO A 115 -12.553 -24.246 -3.865 1.00 0.00 C ATOM 1701 O PRO A 115 -12.791 -24.119 -5.066 1.00 0.00 O ATOM 1702 CB PRO A 115 -14.410 -25.656 -2.936 1.00 0.00 C ATOM 1703 CG PRO A 115 -14.654 -25.116 -1.569 1.00 0.00 C ATOM 1704 CD PRO A 115 -13.440 -25.475 -0.759 1.00 0.00 C ATOM 0 HA PRO A 115 -12.472 -26.334 -3.749 1.00 0.00 H new ATOM 0 HB2 PRO A 115 -14.953 -25.086 -3.690 1.00 0.00 H new ATOM 0 HB3 PRO A 115 -14.742 -26.691 -3.018 1.00 0.00 H new ATOM 0 HG2 PRO A 115 -14.799 -24.036 -1.596 1.00 0.00 H new ATOM 0 HG3 PRO A 115 -15.555 -25.548 -1.134 1.00 0.00 H new ATOM 0 HD2 PRO A 115 -13.220 -24.717 -0.007 1.00 0.00 H new ATOM 0 HD3 PRO A 115 -13.574 -26.419 -0.231 1.00 0.00 H new ATOM 1712 N SER A 116 -11.993 -23.290 -3.133 1.00 0.00 N ATOM 1713 CA SER A 116 -11.620 -22.004 -3.710 1.00 0.00 C ATOM 1714 C SER A 116 -10.332 -22.124 -4.518 1.00 0.00 C ATOM 1715 O SER A 116 -9.388 -22.798 -4.105 1.00 0.00 O ATOM 1716 CB SER A 116 -11.448 -20.956 -2.609 1.00 0.00 C ATOM 1717 OG SER A 116 -10.313 -21.238 -1.809 1.00 0.00 O ATOM 0 H SER A 116 -11.787 -23.381 -2.138 1.00 0.00 H new ATOM 0 HA SER A 116 -12.421 -21.689 -4.379 1.00 0.00 H new ATOM 0 HB2 SER A 116 -11.345 -19.967 -3.057 1.00 0.00 H new ATOM 0 HB3 SER A 116 -12.340 -20.931 -1.984 1.00 0.00 H new ATOM 0 HG SER A 116 -10.224 -20.553 -1.114 1.00 0.00 H new ATOM 1723 N SER A 117 -10.300 -21.466 -5.672 1.00 0.00 N ATOM 1724 CA SER A 117 -9.130 -21.502 -6.542 1.00 0.00 C ATOM 1725 C SER A 117 -8.550 -20.103 -6.730 1.00 0.00 C ATOM 1726 O SER A 117 -9.250 -19.103 -6.576 1.00 0.00 O ATOM 1727 CB SER A 117 -9.496 -22.102 -7.900 1.00 0.00 C ATOM 1728 OG SER A 117 -9.987 -23.424 -7.759 1.00 0.00 O ATOM 0 H SER A 117 -11.072 -20.901 -6.027 1.00 0.00 H new ATOM 0 HA SER A 117 -8.375 -22.129 -6.068 1.00 0.00 H new ATOM 0 HB2 SER A 117 -10.250 -21.481 -8.384 1.00 0.00 H new ATOM 0 HB3 SER A 117 -8.620 -22.104 -8.548 1.00 0.00 H new ATOM 0 HG SER A 117 -10.215 -23.784 -8.641 1.00 0.00 H new ATOM 1734 N GLY A 118 -7.265 -20.042 -7.064 1.00 0.00 N ATOM 1735 CA GLY A 118 -6.611 -18.762 -7.268 1.00 0.00 C ATOM 1736 C GLY A 118 -5.990 -18.642 -8.646 1.00 0.00 C ATOM 1737 O GLY A 118 -6.268 -17.692 -9.378 1.00 0.00 O ATOM 0 H GLY A 118 -6.665 -20.856 -7.197 1.00 0.00 H new ATOM 0 HA2 GLY A 118 -7.336 -17.960 -7.129 1.00 0.00 H new ATOM 0 HA3 GLY A 118 -5.838 -18.628 -6.511 1.00 0.00 H new TER 1741 GLY A 118