USER MOD reduce.3.24.130724 H: found=0, std=0, add=595, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 164 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 43 THR OG1 : rot 106:sc= 0.901 USER MOD Set 1.2: A 44 THR OG1 : rot -83:sc= 1.34 USER MOD Set 2.1: A 26 TYR OH : rot 0:sc= -0.0209 USER MOD Set 2.2: A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.1: A 15 THR OG1 : rot -160:sc= 0.735 USER MOD Set 3.2: A 18 GLN : amide:sc= -0.711 K(o=0.024,f=-1.1) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 THR OG1 : rot 80:sc= 1.24 USER MOD Single : A 29 ASN : amide:sc= -0.0328 K(o=-0.033,f=-2.2!) USER MOD Single : A 33 THR OG1 : rot 122:sc= 1.37 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 LYS NZ :NH3+ -116:sc= 1.3 (180deg=0.0112) USER MOD Single : A 41 SER OG : rot 74:sc= 1.15 USER MOD Single : A 45 ASN : amide:sc= -0.0869 K(o=-0.087,f=-1.2!) USER MOD Single : A 47 SER OG : rot 180:sc= 0.136 USER MOD Single : A 50 GLN : amide:sc= -0.345 X(o=-0.34,f=-0.43) USER MOD Single : A 52 THR OG1 : rot 180:sc= 0.0822 USER MOD Single : A 56 GLN : amide:sc= 0 K(o=0,f=-0.69) USER MOD Single : A 57 ASN : amide:sc= -0.0392 K(o=-0.039,f=-1.4) USER MOD Single : A 61 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.0791) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 ASN : amide:sc= -0.111 K(o=-0.11,f=-1.7!) USER MOD Single : A 68 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.00949) USER MOD Single : A 70 LYS NZ :NH3+ -157:sc= -0.0631 (180deg=-0.479) USER MOD Single : A 71 THR OG1 : rot -45:sc= 0.12 USER MOD Single : A 72 THR OG1 : rot -46:sc= 0.654 USER MOD Single : A 73 SER OG : rot 180:sc= 0.193 USER MOD ----------------------------------------------------------------- ATOM 36 N LYS A 10 -8.998 -6.707 8.419 1.00 10.00 N ATOM 37 CA LYS A 10 -10.183 -7.123 7.690 1.00 10.00 C ATOM 38 C LYS A 10 -9.769 -7.868 6.430 1.00 10.00 C ATOM 39 O LYS A 10 -9.579 -9.088 6.468 1.00 10.00 O ATOM 40 CB LYS A 10 -11.067 -5.920 7.355 1.00 10.00 C ATOM 41 CG LYS A 10 -11.391 -5.042 8.555 1.00 10.00 C ATOM 42 CD LYS A 10 -12.169 -5.803 9.615 1.00 10.00 C ATOM 43 CE LYS A 10 -12.592 -4.883 10.749 1.00 10.00 C ATOM 44 NZ LYS A 10 -13.759 -4.038 10.381 1.00 10.00 N ATOM 0 HA LYS A 10 -10.770 -7.794 8.317 1.00 10.00 H new ATOM 0 HB2 LYS A 10 -10.569 -5.315 6.598 1.00 10.00 H new ATOM 0 HB3 LYS A 10 -11.999 -6.277 6.916 1.00 10.00 H new ATOM 0 HG2 LYS A 10 -10.466 -4.660 8.987 1.00 10.00 H new ATOM 0 HG3 LYS A 10 -11.970 -4.179 8.228 1.00 10.00 H new ATOM 0 HD2 LYS A 10 -13.050 -6.260 9.165 1.00 10.00 H new ATOM 0 HD3 LYS A 10 -11.556 -6.613 10.009 1.00 10.00 H new ATOM 0 HE2 LYS A 10 -12.840 -5.481 11.626 1.00 10.00 H new ATOM 0 HE3 LYS A 10 -11.755 -4.242 11.026 1.00 10.00 H new ATOM 0 HZ1 LYS A 10 -14.012 -3.427 11.184 1.00 10.00 H new ATOM 0 HZ2 LYS A 10 -13.515 -3.448 9.560 1.00 10.00 H new ATOM 0 HZ3 LYS A 10 -14.567 -4.647 10.141 1.00 10.00 H new ATOM 49 N ARG A 11 -9.586 -7.130 5.335 1.00 10.00 N ATOM 50 CA ARG A 11 -9.172 -7.720 4.067 1.00 10.00 C ATOM 51 C ARG A 11 -7.862 -8.483 4.249 1.00 10.00 C ATOM 52 O ARG A 11 -6.936 -8.001 4.904 1.00 10.00 O ATOM 53 CB ARG A 11 -9.004 -6.628 2.998 1.00 10.00 C ATOM 54 CG ARG A 11 -8.575 -7.147 1.634 1.00 10.00 C ATOM 55 CD ARG A 11 -7.985 -6.041 0.771 1.00 10.00 C ATOM 56 NE ARG A 11 -9.015 -5.243 0.103 1.00 10.00 N ATOM 57 CZ ARG A 11 -8.835 -4.623 -1.066 1.00 10.00 C ATOM 58 NH1 ARG A 11 -7.675 -4.719 -1.698 1.00 10.00 N ATOM 59 NH2 ARG A 11 -9.812 -3.905 -1.606 1.00 10.00 N ATOM 0 H ARG A 11 -9.719 -6.119 5.303 1.00 10.00 H new ATOM 0 HA ARG A 11 -9.944 -8.415 3.736 1.00 10.00 H new ATOM 0 HB2 ARG A 11 -9.948 -6.094 2.890 1.00 10.00 H new ATOM 0 HB3 ARG A 11 -8.267 -5.905 3.347 1.00 10.00 H new ATOM 0 HG2 ARG A 11 -7.839 -7.941 1.762 1.00 10.00 H new ATOM 0 HG3 ARG A 11 -9.433 -7.587 1.126 1.00 10.00 H new ATOM 0 HD2 ARG A 11 -7.370 -5.389 1.391 1.00 10.00 H new ATOM 0 HD3 ARG A 11 -7.327 -6.481 0.021 1.00 10.00 H new ATOM 0 HE ARG A 11 -9.924 -5.155 0.558 1.00 10.00 H new ATOM 0 HH11 ARG A 11 -6.917 -5.267 -1.292 1.00 10.00 H new ATOM 0 HH12 ARG A 11 -7.540 -4.245 -2.591 1.00 10.00 H new ATOM 0 HH21 ARG A 11 -10.709 -3.823 -1.128 1.00 10.00 H new ATOM 0 HH22 ARG A 11 -9.666 -3.435 -2.499 1.00 10.00 H new ATOM 66 N VAL A 12 -7.800 -9.683 3.696 1.00 10.00 N ATOM 67 CA VAL A 12 -6.603 -10.507 3.802 1.00 10.00 C ATOM 68 C VAL A 12 -5.502 -9.985 2.888 1.00 10.00 C ATOM 69 O VAL A 12 -5.769 -9.591 1.750 1.00 10.00 O ATOM 70 CB VAL A 12 -6.880 -11.988 3.472 1.00 10.00 C ATOM 71 CG1 VAL A 12 -7.528 -12.688 4.655 1.00 10.00 C ATOM 72 CG2 VAL A 12 -7.747 -12.116 2.228 1.00 10.00 C ATOM 0 H VAL A 12 -8.562 -10.110 3.169 1.00 10.00 H new ATOM 0 HA VAL A 12 -6.277 -10.446 4.840 1.00 10.00 H new ATOM 0 HB VAL A 12 -5.926 -12.474 3.268 1.00 10.00 H new ATOM 0 HG11 VAL A 12 -7.715 -13.732 4.402 1.00 10.00 H new ATOM 0 HG12 VAL A 12 -6.863 -12.637 5.517 1.00 10.00 H new ATOM 0 HG13 VAL A 12 -8.471 -12.198 4.896 1.00 10.00 H new ATOM 0 HG21 VAL A 12 -7.927 -13.170 2.017 1.00 10.00 H new ATOM 0 HG22 VAL A 12 -8.699 -11.611 2.394 1.00 10.00 H new ATOM 0 HG23 VAL A 12 -7.237 -11.659 1.380 1.00 10.00 H new ATOM 74 N PRO A 13 -4.253 -9.966 3.379 1.00 10.00 N ATOM 75 CA PRO A 13 -3.110 -9.495 2.597 1.00 10.00 C ATOM 76 C PRO A 13 -2.745 -10.497 1.507 1.00 10.00 C ATOM 77 O PRO A 13 -3.171 -11.652 1.551 1.00 10.00 O ATOM 78 CB PRO A 13 -1.983 -9.408 3.632 1.00 10.00 C ATOM 79 CG PRO A 13 -2.356 -10.400 4.678 1.00 10.00 C ATOM 80 CD PRO A 13 -3.859 -10.415 4.727 1.00 10.00 C ATOM 0 HA PRO A 13 -3.308 -8.551 2.090 1.00 10.00 H new ATOM 0 HB2 PRO A 13 -1.017 -9.646 3.187 1.00 10.00 H new ATOM 0 HB3 PRO A 13 -1.904 -8.404 4.048 1.00 10.00 H new ATOM 0 HG2 PRO A 13 -1.965 -11.388 4.434 1.00 10.00 H new ATOM 0 HG3 PRO A 13 -1.938 -10.121 5.645 1.00 10.00 H new ATOM 0 HD2 PRO A 13 -4.243 -11.411 4.946 1.00 10.00 H new ATOM 0 HD3 PRO A 13 -4.242 -9.748 5.500 1.00 10.00 H new ATOM 81 N TYR A 14 -1.960 -10.054 0.532 1.00 10.00 N ATOM 82 CA TYR A 14 -1.551 -10.924 -0.568 1.00 10.00 C ATOM 83 C TYR A 14 -0.605 -12.028 -0.110 1.00 10.00 C ATOM 84 O TYR A 14 -0.942 -13.209 -0.176 1.00 10.00 O ATOM 85 CB TYR A 14 -0.951 -10.121 -1.725 1.00 10.00 C ATOM 86 CG TYR A 14 -1.943 -9.858 -2.834 1.00 10.00 C ATOM 87 CD1 TYR A 14 -3.049 -9.050 -2.618 1.00 10.00 C ATOM 88 CD2 TYR A 14 -1.781 -10.426 -4.092 1.00 10.00 C ATOM 89 CE1 TYR A 14 -3.969 -8.815 -3.620 1.00 10.00 C ATOM 90 CE2 TYR A 14 -2.694 -10.194 -5.104 1.00 10.00 C ATOM 91 CZ TYR A 14 -3.788 -9.387 -4.861 1.00 10.00 C ATOM 92 OH TYR A 14 -4.700 -9.155 -5.859 1.00 10.00 O ATOM 0 H TYR A 14 -1.595 -9.103 0.479 1.00 10.00 H new ATOM 0 HA TYR A 14 -2.454 -11.412 -0.935 1.00 10.00 H new ATOM 0 HB2 TYR A 14 -0.577 -9.170 -1.345 1.00 10.00 H new ATOM 0 HB3 TYR A 14 -0.095 -10.661 -2.130 1.00 10.00 H new ATOM 0 HD1 TYR A 14 -3.193 -8.596 -1.649 1.00 10.00 H new ATOM 0 HD2 TYR A 14 -0.927 -11.059 -4.282 1.00 10.00 H new ATOM 0 HE1 TYR A 14 -4.827 -8.186 -3.432 1.00 10.00 H new ATOM 0 HE2 TYR A 14 -2.553 -10.640 -6.077 1.00 10.00 H new ATOM 0 HH TYR A 14 -4.425 -9.630 -6.671 1.00 10.00 H new ATOM 95 N THR A 15 0.581 -11.647 0.339 1.00 10.00 N ATOM 96 CA THR A 15 1.569 -12.608 0.813 1.00 10.00 C ATOM 97 C THR A 15 2.522 -11.930 1.787 1.00 10.00 C ATOM 98 O THR A 15 3.047 -10.857 1.494 1.00 10.00 O ATOM 99 CB THR A 15 2.383 -13.209 -0.353 1.00 10.00 C ATOM 100 OG1 THR A 15 2.081 -12.502 -1.562 1.00 10.00 O ATOM 101 CG2 THR A 15 2.048 -14.681 -0.543 1.00 10.00 C ATOM 0 H THR A 15 0.885 -10.674 0.386 1.00 10.00 H new ATOM 0 HA THR A 15 1.032 -13.416 1.310 1.00 10.00 H new ATOM 0 HB THR A 15 3.443 -13.115 -0.117 1.00 10.00 H new ATOM 0 HG1 THR A 15 2.329 -13.053 -2.334 1.00 10.00 H new ATOM 0 HG21 THR A 15 2.633 -15.084 -1.370 1.00 10.00 H new ATOM 0 HG22 THR A 15 2.284 -15.229 0.369 1.00 10.00 H new ATOM 0 HG23 THR A 15 0.986 -14.787 -0.765 1.00 10.00 H new ATOM 104 N LYS A 16 2.742 -12.549 2.941 1.00 10.00 N ATOM 105 CA LYS A 16 3.635 -11.983 3.947 1.00 10.00 C ATOM 106 C LYS A 16 5.057 -11.865 3.411 1.00 10.00 C ATOM 107 O LYS A 16 5.779 -10.931 3.748 1.00 10.00 O ATOM 108 CB LYS A 16 3.590 -12.771 5.263 1.00 10.00 C ATOM 109 CG LYS A 16 3.878 -14.261 5.140 1.00 10.00 C ATOM 110 CD LYS A 16 3.841 -14.940 6.501 1.00 10.00 C ATOM 111 CE LYS A 16 2.431 -14.984 7.072 1.00 10.00 C ATOM 112 NZ LYS A 16 1.704 -16.223 6.682 1.00 10.00 N ATOM 0 H LYS A 16 2.317 -13.438 3.203 1.00 10.00 H new ATOM 0 HA LYS A 16 3.279 -10.977 4.171 1.00 10.00 H new ATOM 0 HB2 LYS A 16 4.311 -12.334 5.954 1.00 10.00 H new ATOM 0 HB3 LYS A 16 2.604 -12.644 5.710 1.00 10.00 H new ATOM 0 HG2 LYS A 16 3.144 -14.723 4.480 1.00 10.00 H new ATOM 0 HG3 LYS A 16 4.856 -14.409 4.683 1.00 10.00 H new ATOM 0 HD2 LYS A 16 4.229 -15.955 6.412 1.00 10.00 H new ATOM 0 HD3 LYS A 16 4.496 -14.408 7.191 1.00 10.00 H new ATOM 0 HE2 LYS A 16 2.479 -14.920 8.159 1.00 10.00 H new ATOM 0 HE3 LYS A 16 1.874 -14.114 6.726 1.00 10.00 H new ATOM 0 HZ1 LYS A 16 0.749 -16.209 7.093 1.00 10.00 H new ATOM 0 HZ2 LYS A 16 1.634 -16.273 5.646 1.00 10.00 H new ATOM 0 HZ3 LYS A 16 2.221 -17.054 7.034 1.00 10.00 H new ATOM 117 N VAL A 17 5.442 -12.805 2.553 1.00 10.00 N ATOM 118 CA VAL A 17 6.767 -12.782 1.953 1.00 10.00 C ATOM 119 C VAL A 17 6.912 -11.575 1.026 1.00 10.00 C ATOM 120 O VAL A 17 7.970 -10.957 0.961 1.00 10.00 O ATOM 121 CB VAL A 17 7.091 -14.083 1.187 1.00 10.00 C ATOM 122 CG1 VAL A 17 7.393 -15.208 2.165 1.00 10.00 C ATOM 123 CG2 VAL A 17 5.948 -14.471 0.259 1.00 10.00 C ATOM 0 H VAL A 17 4.857 -13.587 2.260 1.00 10.00 H new ATOM 0 HA VAL A 17 7.484 -12.701 2.770 1.00 10.00 H new ATOM 0 HB VAL A 17 7.974 -13.907 0.573 1.00 10.00 H new ATOM 0 HG11 VAL A 17 7.620 -16.120 1.612 1.00 10.00 H new ATOM 0 HG12 VAL A 17 8.250 -14.934 2.781 1.00 10.00 H new ATOM 0 HG13 VAL A 17 6.526 -15.377 2.804 1.00 10.00 H new ATOM 0 HG21 VAL A 17 6.203 -15.391 -0.268 1.00 10.00 H new ATOM 0 HG22 VAL A 17 5.042 -14.627 0.844 1.00 10.00 H new ATOM 0 HG23 VAL A 17 5.780 -13.673 -0.464 1.00 10.00 H new ATOM 125 N GLN A 18 5.824 -11.230 0.343 1.00 10.00 N ATOM 126 CA GLN A 18 5.819 -10.098 -0.575 1.00 10.00 C ATOM 127 C GLN A 18 5.916 -8.799 0.211 1.00 10.00 C ATOM 128 O GLN A 18 6.709 -7.917 -0.113 1.00 10.00 O ATOM 129 CB GLN A 18 4.544 -10.105 -1.423 1.00 10.00 C ATOM 130 CG GLN A 18 4.677 -9.383 -2.755 1.00 10.00 C ATOM 131 CD GLN A 18 3.405 -9.428 -3.581 1.00 10.00 C ATOM 132 OE1 GLN A 18 3.154 -8.553 -4.404 1.00 10.00 O ATOM 133 NE2 GLN A 18 2.585 -10.447 -3.366 1.00 10.00 N ATOM 0 H GLN A 18 4.932 -11.721 0.409 1.00 10.00 H new ATOM 0 HA GLN A 18 6.678 -10.179 -1.240 1.00 10.00 H new ATOM 0 HB2 GLN A 18 4.251 -11.138 -1.610 1.00 10.00 H new ATOM 0 HB3 GLN A 18 3.738 -9.644 -0.851 1.00 10.00 H new ATOM 0 HG2 GLN A 18 4.950 -8.343 -2.573 1.00 10.00 H new ATOM 0 HG3 GLN A 18 5.491 -9.831 -3.326 1.00 10.00 H new ATOM 0 HE21 GLN A 18 2.825 -11.157 -2.674 1.00 10.00 H new ATOM 0 HE22 GLN A 18 1.715 -10.521 -3.892 1.00 10.00 H new ATOM 137 N LEU A 19 5.105 -8.703 1.259 1.00 10.00 N ATOM 138 CA LEU A 19 5.099 -7.524 2.116 1.00 10.00 C ATOM 139 C LEU A 19 6.462 -7.345 2.772 1.00 10.00 C ATOM 140 O LEU A 19 6.928 -6.221 2.963 1.00 10.00 O ATOM 141 CB LEU A 19 4.000 -7.624 3.181 1.00 10.00 C ATOM 142 CG LEU A 19 2.637 -7.011 2.826 1.00 10.00 C ATOM 143 CD1 LEU A 19 2.776 -5.536 2.472 1.00 10.00 C ATOM 144 CD2 LEU A 19 1.957 -7.781 1.701 1.00 10.00 C ATOM 0 H LEU A 19 4.443 -9.428 1.535 1.00 10.00 H new ATOM 0 HA LEU A 19 4.889 -6.652 1.497 1.00 10.00 H new ATOM 0 HB2 LEU A 19 3.848 -8.678 3.416 1.00 10.00 H new ATOM 0 HB3 LEU A 19 4.362 -7.144 4.090 1.00 10.00 H new ATOM 0 HG LEU A 19 2.002 -7.087 3.709 1.00 10.00 H new ATOM 0 HD11 LEU A 19 1.796 -5.127 2.225 1.00 10.00 H new ATOM 0 HD12 LEU A 19 3.191 -4.995 3.323 1.00 10.00 H new ATOM 0 HD13 LEU A 19 3.441 -5.429 1.615 1.00 10.00 H new ATOM 0 HD21 LEU A 19 0.995 -7.321 1.475 1.00 10.00 H new ATOM 0 HD22 LEU A 19 2.588 -7.759 0.812 1.00 10.00 H new ATOM 0 HD23 LEU A 19 1.801 -8.815 2.010 1.00 10.00 H new ATOM 146 N LYS A 20 7.107 -8.465 3.096 1.00 10.00 N ATOM 147 CA LYS A 20 8.422 -8.439 3.714 1.00 10.00 C ATOM 148 C LYS A 20 9.454 -7.857 2.753 1.00 10.00 C ATOM 149 O LYS A 20 10.253 -7.002 3.138 1.00 10.00 O ATOM 150 CB LYS A 20 8.842 -9.838 4.171 1.00 10.00 C ATOM 151 CG LYS A 20 10.112 -9.849 5.006 1.00 10.00 C ATOM 152 CD LYS A 20 10.537 -11.261 5.370 1.00 10.00 C ATOM 153 CE LYS A 20 11.788 -11.238 6.231 1.00 10.00 C ATOM 154 NZ LYS A 20 12.268 -12.605 6.557 1.00 10.00 N ATOM 0 H LYS A 20 6.735 -9.401 2.938 1.00 10.00 H new ATOM 0 HA LYS A 20 8.368 -7.799 4.594 1.00 10.00 H new ATOM 0 HB2 LYS A 20 8.032 -10.280 4.751 1.00 10.00 H new ATOM 0 HB3 LYS A 20 8.988 -10.469 3.294 1.00 10.00 H new ATOM 0 HG2 LYS A 20 10.914 -9.359 4.454 1.00 10.00 H new ATOM 0 HG3 LYS A 20 9.953 -9.271 5.917 1.00 10.00 H new ATOM 0 HD2 LYS A 20 9.730 -11.763 5.904 1.00 10.00 H new ATOM 0 HD3 LYS A 20 10.724 -11.835 4.463 1.00 10.00 H new ATOM 0 HE2 LYS A 20 12.575 -10.692 5.711 1.00 10.00 H new ATOM 0 HE3 LYS A 20 11.582 -10.697 7.155 1.00 10.00 H new ATOM 0 HZ1 LYS A 20 13.123 -12.542 7.146 1.00 10.00 H new ATOM 0 HZ2 LYS A 20 11.527 -13.118 7.076 1.00 10.00 H new ATOM 0 HZ3 LYS A 20 12.490 -13.114 5.678 1.00 10.00 H new ATOM 159 N GLU A 21 9.418 -8.303 1.496 1.00 10.00 N ATOM 160 CA GLU A 21 10.346 -7.808 0.485 1.00 10.00 C ATOM 161 C GLU A 21 10.161 -6.306 0.312 1.00 10.00 C ATOM 162 O GLU A 21 11.130 -5.547 0.264 1.00 10.00 O ATOM 163 CB GLU A 21 10.132 -8.524 -0.857 1.00 10.00 C ATOM 164 CG GLU A 21 10.439 -10.015 -0.838 1.00 10.00 C ATOM 165 CD GLU A 21 11.015 -10.512 -2.152 1.00 10.00 C ATOM 166 OE1 GLU A 21 10.242 -10.739 -3.107 1.00 10.00 O ATOM 167 OE2 GLU A 21 12.255 -10.674 -2.235 1.00 10.00 O ATOM 0 H GLU A 21 8.758 -9.003 1.157 1.00 10.00 H new ATOM 0 HA GLU A 21 11.363 -8.013 0.819 1.00 10.00 H new ATOM 0 HB2 GLU A 21 9.096 -8.384 -1.167 1.00 10.00 H new ATOM 0 HB3 GLU A 21 10.758 -8.047 -1.612 1.00 10.00 H new ATOM 0 HG2 GLU A 21 11.144 -10.226 -0.034 1.00 10.00 H new ATOM 0 HG3 GLU A 21 9.526 -10.567 -0.614 1.00 10.00 H new ATOM 169 N LEU A 22 8.901 -5.891 0.258 1.00 10.00 N ATOM 170 CA LEU A 22 8.546 -4.487 0.104 1.00 10.00 C ATOM 171 C LEU A 22 9.096 -3.667 1.271 1.00 10.00 C ATOM 172 O LEU A 22 9.680 -2.601 1.076 1.00 10.00 O ATOM 173 CB LEU A 22 7.019 -4.352 0.050 1.00 10.00 C ATOM 174 CG LEU A 22 6.440 -3.402 -1.003 1.00 10.00 C ATOM 175 CD1 LEU A 22 6.817 -1.958 -0.705 1.00 10.00 C ATOM 176 CD2 LEU A 22 6.883 -3.804 -2.400 1.00 10.00 C ATOM 0 H LEU A 22 8.099 -6.518 0.320 1.00 10.00 H new ATOM 0 HA LEU A 22 8.981 -4.110 -0.822 1.00 10.00 H new ATOM 0 HB2 LEU A 22 6.597 -5.343 -0.120 1.00 10.00 H new ATOM 0 HB3 LEU A 22 6.674 -4.022 1.030 1.00 10.00 H new ATOM 0 HG LEU A 22 5.353 -3.478 -0.960 1.00 10.00 H new ATOM 0 HD11 LEU A 22 6.393 -1.306 -1.469 1.00 10.00 H new ATOM 0 HD12 LEU A 22 6.426 -1.674 0.272 1.00 10.00 H new ATOM 0 HD13 LEU A 22 7.902 -1.858 -0.705 1.00 10.00 H new ATOM 0 HD21 LEU A 22 6.458 -3.114 -3.129 1.00 10.00 H new ATOM 0 HD22 LEU A 22 7.971 -3.771 -2.460 1.00 10.00 H new ATOM 0 HD23 LEU A 22 6.538 -4.815 -2.614 1.00 10.00 H new ATOM 178 N GLU A 23 8.905 -4.176 2.483 1.00 10.00 N ATOM 179 CA GLU A 23 9.378 -3.500 3.688 1.00 10.00 C ATOM 180 C GLU A 23 10.900 -3.434 3.740 1.00 10.00 C ATOM 181 O GLU A 23 11.471 -2.418 4.132 1.00 10.00 O ATOM 182 CB GLU A 23 8.840 -4.188 4.943 1.00 10.00 C ATOM 183 CG GLU A 23 7.537 -3.606 5.454 1.00 10.00 C ATOM 184 CD GLU A 23 7.715 -2.870 6.765 1.00 10.00 C ATOM 185 OE1 GLU A 23 8.436 -1.851 6.792 1.00 10.00 O ATOM 186 OE2 GLU A 23 7.132 -3.308 7.779 1.00 10.00 O ATOM 0 H GLU A 23 8.424 -5.058 2.659 1.00 10.00 H new ATOM 0 HA GLU A 23 8.999 -2.479 3.653 1.00 10.00 H new ATOM 0 HB2 GLU A 23 8.694 -5.247 4.730 1.00 10.00 H new ATOM 0 HB3 GLU A 23 9.590 -4.121 5.731 1.00 10.00 H new ATOM 0 HG2 GLU A 23 7.129 -2.923 4.709 1.00 10.00 H new ATOM 0 HG3 GLU A 23 6.810 -4.407 5.585 1.00 10.00 H new ATOM 188 N ARG A 24 11.551 -4.513 3.330 1.00 10.00 N ATOM 189 CA ARG A 24 13.004 -4.577 3.342 1.00 10.00 C ATOM 190 C ARG A 24 13.619 -3.521 2.433 1.00 10.00 C ATOM 191 O ARG A 24 14.449 -2.723 2.869 1.00 10.00 O ATOM 192 CB ARG A 24 13.495 -5.972 2.954 1.00 10.00 C ATOM 193 CG ARG A 24 13.907 -6.829 4.138 1.00 10.00 C ATOM 194 CD ARG A 24 12.731 -7.105 5.057 1.00 10.00 C ATOM 195 NE ARG A 24 13.158 -7.355 6.430 1.00 10.00 N ATOM 196 CZ ARG A 24 12.383 -7.176 7.501 1.00 10.00 C ATOM 197 NH1 ARG A 24 11.124 -6.774 7.355 1.00 10.00 N ATOM 198 NH2 ARG A 24 12.872 -7.393 8.717 1.00 10.00 N ATOM 0 H ARG A 24 11.094 -5.357 2.984 1.00 10.00 H new ATOM 0 HA ARG A 24 13.329 -4.369 4.361 1.00 10.00 H new ATOM 0 HB2 ARG A 24 12.706 -6.485 2.404 1.00 10.00 H new ATOM 0 HB3 ARG A 24 14.343 -5.873 2.277 1.00 10.00 H new ATOM 0 HG2 ARG A 24 14.320 -7.772 3.780 1.00 10.00 H new ATOM 0 HG3 ARG A 24 14.697 -6.326 4.696 1.00 10.00 H new ATOM 0 HD2 ARG A 24 12.049 -6.255 5.038 1.00 10.00 H new ATOM 0 HD3 ARG A 24 12.176 -7.967 4.687 1.00 10.00 H new ATOM 0 HE ARG A 24 14.110 -7.688 6.580 1.00 10.00 H new ATOM 0 HH11 ARG A 24 10.749 -6.602 6.422 1.00 10.00 H new ATOM 0 HH12 ARG A 24 10.534 -6.638 8.176 1.00 10.00 H new ATOM 0 HH21 ARG A 24 13.839 -7.696 8.831 1.00 10.00 H new ATOM 0 HH22 ARG A 24 12.280 -7.256 9.537 1.00 10.00 H new ATOM 205 N GLU A 25 13.192 -3.508 1.176 1.00 10.00 N ATOM 206 CA GLU A 25 13.702 -2.550 0.203 1.00 10.00 C ATOM 207 C GLU A 25 13.426 -1.114 0.645 1.00 10.00 C ATOM 208 O GLU A 25 14.251 -0.221 0.446 1.00 10.00 O ATOM 209 CB GLU A 25 13.096 -2.820 -1.178 1.00 10.00 C ATOM 210 CG GLU A 25 13.355 -4.220 -1.706 1.00 10.00 C ATOM 211 CD GLU A 25 14.830 -4.522 -1.845 1.00 10.00 C ATOM 212 OE1 GLU A 25 15.505 -3.846 -2.647 1.00 10.00 O ATOM 213 OE2 GLU A 25 15.325 -5.449 -1.170 1.00 10.00 O ATOM 0 H GLU A 25 12.492 -4.152 0.806 1.00 10.00 H new ATOM 0 HA GLU A 25 14.783 -2.674 0.138 1.00 10.00 H new ATOM 0 HB2 GLU A 25 12.020 -2.655 -1.129 1.00 10.00 H new ATOM 0 HB3 GLU A 25 13.497 -2.096 -1.887 1.00 10.00 H new ATOM 0 HG2 GLU A 25 12.900 -4.948 -1.035 1.00 10.00 H new ATOM 0 HG3 GLU A 25 12.871 -4.335 -2.676 1.00 10.00 H new ATOM 215 N TYR A 26 12.271 -0.906 1.262 1.00 10.00 N ATOM 216 CA TYR A 26 11.888 0.418 1.739 1.00 10.00 C ATOM 217 C TYR A 26 12.738 0.830 2.937 1.00 10.00 C ATOM 218 O TYR A 26 13.214 1.960 3.011 1.00 10.00 O ATOM 219 CB TYR A 26 10.403 0.452 2.108 1.00 10.00 C ATOM 220 CG TYR A 26 9.771 1.822 1.985 1.00 10.00 C ATOM 221 CD1 TYR A 26 9.940 2.781 2.974 1.00 10.00 C ATOM 222 CD2 TYR A 26 9.008 2.158 0.874 1.00 10.00 C ATOM 223 CE1 TYR A 26 9.369 4.033 2.859 1.00 10.00 C ATOM 224 CE2 TYR A 26 8.432 3.408 0.750 1.00 10.00 C ATOM 225 CZ TYR A 26 8.616 4.341 1.747 1.00 10.00 C ATOM 226 OH TYR A 26 8.054 5.590 1.628 1.00 10.00 O ATOM 0 H TYR A 26 11.582 -1.636 1.444 1.00 10.00 H new ATOM 0 HA TYR A 26 12.062 1.129 0.931 1.00 10.00 H new ATOM 0 HB2 TYR A 26 9.863 -0.245 1.467 1.00 10.00 H new ATOM 0 HB3 TYR A 26 10.285 0.099 3.133 1.00 10.00 H new ATOM 0 HD1 TYR A 26 10.528 2.544 3.848 1.00 10.00 H new ATOM 0 HD2 TYR A 26 8.862 1.428 0.092 1.00 10.00 H new ATOM 0 HE1 TYR A 26 9.512 4.768 3.637 1.00 10.00 H new ATOM 0 HE2 TYR A 26 7.842 3.652 -0.121 1.00 10.00 H new ATOM 0 HH TYR A 26 8.290 6.131 2.410 1.00 10.00 H new ATOM 229 N ALA A 27 12.938 -0.100 3.866 1.00 10.00 N ATOM 230 CA ALA A 27 13.729 0.169 5.066 1.00 10.00 C ATOM 231 C ALA A 27 15.200 0.399 4.727 1.00 10.00 C ATOM 232 O ALA A 27 15.924 1.078 5.457 1.00 10.00 O ATOM 233 CB ALA A 27 13.582 -0.964 6.072 1.00 10.00 C ATOM 0 H ALA A 27 12.564 -1.047 3.812 1.00 10.00 H new ATOM 0 HA ALA A 27 13.345 1.085 5.516 1.00 10.00 H new ATOM 0 HB1 ALA A 27 14.178 -0.744 6.957 1.00 10.00 H new ATOM 0 HB2 ALA A 27 12.534 -1.065 6.356 1.00 10.00 H new ATOM 0 HB3 ALA A 27 13.928 -1.896 5.624 1.00 10.00 H new ATOM 235 N THR A 28 15.633 -0.165 3.609 1.00 10.00 N ATOM 236 CA THR A 28 17.010 -0.020 3.163 1.00 10.00 C ATOM 237 C THR A 28 17.288 1.420 2.718 1.00 10.00 C ATOM 238 O THR A 28 18.407 1.921 2.844 1.00 10.00 O ATOM 239 CB THR A 28 17.323 -1.004 2.014 1.00 10.00 C ATOM 240 OG1 THR A 28 17.046 -2.343 2.451 1.00 10.00 O ATOM 241 CG2 THR A 28 18.784 -0.913 1.598 1.00 10.00 C ATOM 0 H THR A 28 15.048 -0.729 2.993 1.00 10.00 H new ATOM 0 HA THR A 28 17.661 -0.255 4.005 1.00 10.00 H new ATOM 0 HB THR A 28 16.700 -0.743 1.159 1.00 10.00 H new ATOM 0 HG1 THR A 28 16.082 -2.512 2.398 1.00 10.00 H new ATOM 0 HG21 THR A 28 18.976 -1.616 0.788 1.00 10.00 H new ATOM 0 HG22 THR A 28 19.003 0.100 1.259 1.00 10.00 H new ATOM 0 HG23 THR A 28 19.420 -1.157 2.449 1.00 10.00 H new ATOM 244 N ASN A 29 16.256 2.093 2.224 1.00 10.00 N ATOM 245 CA ASN A 29 16.394 3.470 1.764 1.00 10.00 C ATOM 246 C ASN A 29 15.048 4.196 1.784 1.00 10.00 C ATOM 247 O ASN A 29 14.719 4.892 2.749 1.00 10.00 O ATOM 248 CB ASN A 29 16.998 3.498 0.352 1.00 10.00 C ATOM 249 CG ASN A 29 17.135 4.900 -0.221 1.00 10.00 C ATOM 250 OD1 ASN A 29 16.244 5.388 -0.918 1.00 10.00 O ATOM 251 ND2 ASN A 29 18.252 5.554 0.063 1.00 10.00 N ATOM 0 H ASN A 29 15.316 1.709 2.132 1.00 10.00 H new ATOM 0 HA ASN A 29 17.066 3.991 2.446 1.00 10.00 H new ATOM 0 HB2 ASN A 29 17.980 3.026 0.376 1.00 10.00 H new ATOM 0 HB3 ASN A 29 16.374 2.901 -0.313 1.00 10.00 H new ATOM 0 HD21 ASN A 29 18.397 6.496 -0.299 1.00 10.00 H new ATOM 0 HD22 ASN A 29 18.966 5.115 0.644 1.00 10.00 H new ATOM 255 N LYS A 30 14.277 4.010 0.725 1.00 10.00 N ATOM 256 CA LYS A 30 12.970 4.633 0.577 1.00 10.00 C ATOM 257 C LYS A 30 12.345 4.097 -0.694 1.00 10.00 C ATOM 258 O LYS A 30 11.211 3.631 -0.700 1.00 10.00 O ATOM 259 CB LYS A 30 13.103 6.160 0.472 1.00 10.00 C ATOM 260 CG LYS A 30 11.832 6.943 0.795 1.00 10.00 C ATOM 261 CD LYS A 30 10.844 6.926 -0.362 1.00 10.00 C ATOM 262 CE LYS A 30 9.635 7.803 -0.081 1.00 10.00 C ATOM 263 NZ LYS A 30 8.506 7.482 -0.992 1.00 10.00 N ATOM 0 H LYS A 30 14.542 3.418 -0.062 1.00 10.00 H new ATOM 0 HA LYS A 30 12.353 4.404 1.446 1.00 10.00 H new ATOM 0 HB2 LYS A 30 13.895 6.488 1.146 1.00 10.00 H new ATOM 0 HB3 LYS A 30 13.420 6.413 -0.540 1.00 10.00 H new ATOM 0 HG2 LYS A 30 11.360 6.519 1.681 1.00 10.00 H new ATOM 0 HG3 LYS A 30 12.092 7.974 1.035 1.00 10.00 H new ATOM 0 HD2 LYS A 30 11.340 7.270 -1.269 1.00 10.00 H new ATOM 0 HD3 LYS A 30 10.517 5.903 -0.546 1.00 10.00 H new ATOM 0 HE2 LYS A 30 9.319 7.668 0.953 1.00 10.00 H new ATOM 0 HE3 LYS A 30 9.910 8.851 -0.196 1.00 10.00 H new ATOM 0 HZ1 LYS A 30 7.697 8.098 -0.773 1.00 10.00 H new ATOM 0 HZ2 LYS A 30 8.801 7.634 -1.978 1.00 10.00 H new ATOM 0 HZ3 LYS A 30 8.228 6.488 -0.864 1.00 10.00 H new ATOM 268 N PHE A 31 13.105 4.167 -1.772 1.00 10.00 N ATOM 269 CA PHE A 31 12.650 3.684 -3.059 1.00 10.00 C ATOM 270 C PHE A 31 13.793 2.963 -3.754 1.00 10.00 C ATOM 271 O PHE A 31 14.961 3.275 -3.521 1.00 10.00 O ATOM 272 CB PHE A 31 12.155 4.852 -3.919 1.00 10.00 C ATOM 273 CG PHE A 31 10.883 4.561 -4.662 1.00 10.00 C ATOM 274 CD1 PHE A 31 9.653 4.825 -4.083 1.00 10.00 C ATOM 275 CD2 PHE A 31 10.918 4.023 -5.937 1.00 10.00 C ATOM 276 CE1 PHE A 31 8.481 4.558 -4.761 1.00 10.00 C ATOM 277 CE2 PHE A 31 9.751 3.753 -6.622 1.00 10.00 C ATOM 278 CZ PHE A 31 8.531 4.021 -6.033 1.00 10.00 C ATOM 0 H PHE A 31 14.047 4.557 -1.779 1.00 10.00 H new ATOM 0 HA PHE A 31 11.821 2.991 -2.914 1.00 10.00 H new ATOM 0 HB2 PHE A 31 12.001 5.722 -3.280 1.00 10.00 H new ATOM 0 HB3 PHE A 31 12.931 5.117 -4.637 1.00 10.00 H new ATOM 0 HD1 PHE A 31 9.610 5.245 -3.089 1.00 10.00 H new ATOM 0 HD2 PHE A 31 11.870 3.812 -6.401 1.00 10.00 H new ATOM 0 HE1 PHE A 31 7.528 4.768 -4.299 1.00 10.00 H new ATOM 0 HE2 PHE A 31 9.792 3.333 -7.616 1.00 10.00 H new ATOM 0 HZ PHE A 31 7.616 3.811 -6.567 1.00 10.00 H new ATOM 280 N ILE A 32 13.463 1.990 -4.583 1.00 10.00 N ATOM 281 CA ILE A 32 14.472 1.237 -5.306 1.00 10.00 C ATOM 282 C ILE A 32 14.502 1.635 -6.772 1.00 10.00 C ATOM 283 O ILE A 32 13.536 2.192 -7.294 1.00 10.00 O ATOM 284 CB ILE A 32 14.284 -0.293 -5.172 1.00 10.00 C ATOM 285 CG1 ILE A 32 12.807 -0.664 -5.002 1.00 10.00 C ATOM 286 CG2 ILE A 32 15.097 -0.819 -4.001 1.00 10.00 C ATOM 287 CD1 ILE A 32 11.989 -0.580 -6.270 1.00 10.00 C ATOM 0 H ILE A 32 12.503 1.702 -4.773 1.00 10.00 H new ATOM 0 HA ILE A 32 15.429 1.487 -4.849 1.00 10.00 H new ATOM 0 HB ILE A 32 14.640 -0.757 -6.092 1.00 10.00 H new ATOM 0 HG12 ILE A 32 12.743 -1.679 -4.610 1.00 10.00 H new ATOM 0 HG13 ILE A 32 12.364 -0.006 -4.255 1.00 10.00 H new ATOM 0 HG21 ILE A 32 14.957 -1.897 -3.916 1.00 10.00 H new ATOM 0 HG22 ILE A 32 16.153 -0.602 -4.164 1.00 10.00 H new ATOM 0 HG23 ILE A 32 14.765 -0.336 -3.082 1.00 10.00 H new ATOM 0 HD11 ILE A 32 10.957 -0.859 -6.057 1.00 10.00 H new ATOM 0 HD12 ILE A 32 12.017 0.440 -6.654 1.00 10.00 H new ATOM 0 HD13 ILE A 32 12.402 -1.260 -7.015 1.00 10.00 H new ATOM 289 N THR A 33 15.617 1.359 -7.422 1.00 10.00 N ATOM 290 CA THR A 33 15.782 1.685 -8.825 1.00 10.00 C ATOM 291 C THR A 33 15.145 0.618 -9.713 1.00 10.00 C ATOM 292 O THR A 33 14.721 -0.435 -9.226 1.00 10.00 O ATOM 293 CB THR A 33 17.270 1.829 -9.165 1.00 10.00 C ATOM 294 OG1 THR A 33 18.013 0.856 -8.420 1.00 10.00 O ATOM 295 CG2 THR A 33 17.764 3.219 -8.798 1.00 10.00 C ATOM 0 H THR A 33 16.426 0.907 -6.997 1.00 10.00 H new ATOM 0 HA THR A 33 15.279 2.634 -9.013 1.00 10.00 H new ATOM 0 HB THR A 33 17.408 1.675 -10.235 1.00 10.00 H new ATOM 0 HG1 THR A 33 18.507 0.278 -9.038 1.00 10.00 H new ATOM 0 HG21 THR A 33 18.822 3.306 -9.045 1.00 10.00 H new ATOM 0 HG22 THR A 33 17.198 3.965 -9.356 1.00 10.00 H new ATOM 0 HG23 THR A 33 17.626 3.384 -7.729 1.00 10.00 H new ATOM 298 N LYS A 34 15.095 0.885 -11.015 1.00 10.00 N ATOM 299 CA LYS A 34 14.498 -0.040 -11.973 1.00 10.00 C ATOM 300 C LYS A 34 15.165 -1.409 -11.928 1.00 10.00 C ATOM 301 O LYS A 34 14.494 -2.439 -11.933 1.00 10.00 O ATOM 302 CB LYS A 34 14.562 0.528 -13.396 1.00 10.00 C ATOM 303 CG LYS A 34 13.305 1.262 -13.841 1.00 10.00 C ATOM 304 CD LYS A 34 13.233 2.667 -13.265 1.00 10.00 C ATOM 305 CE LYS A 34 12.068 3.441 -13.862 1.00 10.00 C ATOM 306 NZ LYS A 34 12.019 4.840 -13.365 1.00 10.00 N ATOM 0 H LYS A 34 15.463 1.740 -11.432 1.00 10.00 H new ATOM 0 HA LYS A 34 13.453 -0.164 -11.688 1.00 10.00 H new ATOM 0 HB2 LYS A 34 15.409 1.211 -13.463 1.00 10.00 H new ATOM 0 HB3 LYS A 34 14.755 -0.289 -14.091 1.00 10.00 H new ATOM 0 HG2 LYS A 34 13.282 1.315 -14.929 1.00 10.00 H new ATOM 0 HG3 LYS A 34 12.426 0.697 -13.530 1.00 10.00 H new ATOM 0 HD2 LYS A 34 13.123 2.615 -12.182 1.00 10.00 H new ATOM 0 HD3 LYS A 34 14.166 3.194 -13.465 1.00 10.00 H new ATOM 0 HE2 LYS A 34 12.154 3.445 -14.949 1.00 10.00 H new ATOM 0 HE3 LYS A 34 11.133 2.936 -13.618 1.00 10.00 H new ATOM 0 HZ1 LYS A 34 11.211 5.333 -13.796 1.00 10.00 H new ATOM 0 HZ2 LYS A 34 11.912 4.837 -12.331 1.00 10.00 H new ATOM 0 HZ3 LYS A 34 12.900 5.330 -13.620 1.00 10.00 H new ATOM 311 N ASP A 35 16.489 -1.409 -11.855 1.00 10.00 N ATOM 312 CA ASP A 35 17.257 -2.651 -11.814 1.00 10.00 C ATOM 313 C ASP A 35 17.001 -3.430 -10.526 1.00 10.00 C ATOM 314 O ASP A 35 17.093 -4.656 -10.501 1.00 10.00 O ATOM 315 CB ASP A 35 18.758 -2.382 -12.000 1.00 10.00 C ATOM 316 CG ASP A 35 19.436 -1.804 -10.770 1.00 10.00 C ATOM 317 OD1 ASP A 35 18.857 -0.909 -10.126 1.00 10.00 O ATOM 318 OD2 ASP A 35 20.560 -2.241 -10.446 1.00 10.00 O ATOM 0 H ASP A 35 17.057 -0.562 -11.823 1.00 10.00 H new ATOM 0 HA ASP A 35 16.917 -3.268 -12.646 1.00 10.00 H new ATOM 0 HB2 ASP A 35 19.253 -3.314 -12.272 1.00 10.00 H new ATOM 0 HB3 ASP A 35 18.893 -1.694 -12.835 1.00 10.00 H new ATOM 320 N LYS A 36 16.648 -2.714 -9.467 1.00 10.00 N ATOM 321 CA LYS A 36 16.381 -3.334 -8.180 1.00 10.00 C ATOM 322 C LYS A 36 14.953 -3.863 -8.093 1.00 10.00 C ATOM 323 O LYS A 36 14.706 -4.883 -7.452 1.00 10.00 O ATOM 324 CB LYS A 36 16.659 -2.353 -7.041 1.00 10.00 C ATOM 325 CG LYS A 36 18.120 -1.946 -6.902 1.00 10.00 C ATOM 326 CD LYS A 36 18.953 -3.040 -6.246 1.00 10.00 C ATOM 327 CE LYS A 36 19.636 -3.933 -7.275 1.00 10.00 C ATOM 328 NZ LYS A 36 20.770 -3.253 -7.956 1.00 10.00 N ATOM 0 H LYS A 36 16.540 -1.700 -9.476 1.00 10.00 H new ATOM 0 HA LYS A 36 17.054 -4.185 -8.082 1.00 10.00 H new ATOM 0 HB2 LYS A 36 16.058 -1.457 -7.195 1.00 10.00 H new ATOM 0 HB3 LYS A 36 16.329 -2.801 -6.104 1.00 10.00 H new ATOM 0 HG2 LYS A 36 18.529 -1.719 -7.886 1.00 10.00 H new ATOM 0 HG3 LYS A 36 18.188 -1.033 -6.310 1.00 10.00 H new ATOM 0 HD2 LYS A 36 19.707 -2.585 -5.603 1.00 10.00 H new ATOM 0 HD3 LYS A 36 18.313 -3.648 -5.606 1.00 10.00 H new ATOM 0 HE2 LYS A 36 20.000 -4.835 -6.784 1.00 10.00 H new ATOM 0 HE3 LYS A 36 18.905 -4.248 -8.020 1.00 10.00 H new ATOM 0 HZ1 LYS A 36 20.557 -3.153 -8.969 1.00 10.00 H new ATOM 0 HZ2 LYS A 36 20.912 -2.312 -7.537 1.00 10.00 H new ATOM 0 HZ3 LYS A 36 21.635 -3.818 -7.838 1.00 10.00 H new ATOM 333 N ARG A 37 14.016 -3.178 -8.743 1.00 10.00 N ATOM 334 CA ARG A 37 12.613 -3.596 -8.725 1.00 10.00 C ATOM 335 C ARG A 37 12.412 -4.880 -9.524 1.00 10.00 C ATOM 336 O ARG A 37 11.446 -5.617 -9.306 1.00 10.00 O ATOM 337 CB ARG A 37 11.679 -2.477 -9.208 1.00 10.00 C ATOM 338 CG ARG A 37 11.396 -2.455 -10.704 1.00 10.00 C ATOM 339 CD ARG A 37 10.399 -1.360 -11.051 1.00 10.00 C ATOM 340 NE ARG A 37 9.939 -1.444 -12.438 1.00 10.00 N ATOM 341 CZ ARG A 37 8.907 -0.753 -12.927 1.00 10.00 C ATOM 342 NH1 ARG A 37 8.222 0.076 -12.147 1.00 10.00 N ATOM 343 NH2 ARG A 37 8.555 -0.905 -14.199 1.00 10.00 N ATOM 0 H ARG A 37 14.199 -2.335 -9.287 1.00 10.00 H new ATOM 0 HA ARG A 37 12.347 -3.806 -7.689 1.00 10.00 H new ATOM 0 HB2 ARG A 37 10.730 -2.566 -8.678 1.00 10.00 H new ATOM 0 HB3 ARG A 37 12.113 -1.518 -8.925 1.00 10.00 H new ATOM 0 HG2 ARG A 37 12.325 -2.294 -11.252 1.00 10.00 H new ATOM 0 HG3 ARG A 37 11.004 -3.422 -11.018 1.00 10.00 H new ATOM 0 HD2 ARG A 37 9.541 -1.428 -10.382 1.00 10.00 H new ATOM 0 HD3 ARG A 37 10.859 -0.386 -10.882 1.00 10.00 H new ATOM 0 HE ARG A 37 10.438 -2.070 -13.070 1.00 10.00 H new ATOM 0 HH11 ARG A 37 8.484 0.188 -11.167 1.00 10.00 H new ATOM 0 HH12 ARG A 37 7.435 0.601 -12.528 1.00 10.00 H new ATOM 0 HH21 ARG A 37 9.073 -1.548 -14.798 1.00 10.00 H new ATOM 0 HH22 ARG A 37 7.767 -0.379 -14.576 1.00 10.00 H new ATOM 350 N ARG A 38 13.327 -5.144 -10.449 1.00 10.00 N ATOM 351 CA ARG A 38 13.258 -6.349 -11.269 1.00 10.00 C ATOM 352 C ARG A 38 13.438 -7.598 -10.409 1.00 10.00 C ATOM 353 O ARG A 38 12.897 -8.660 -10.720 1.00 10.00 O ATOM 354 CB ARG A 38 14.310 -6.316 -12.376 1.00 10.00 C ATOM 355 CG ARG A 38 14.054 -5.276 -13.455 1.00 10.00 C ATOM 356 CD ARG A 38 14.720 -5.665 -14.766 1.00 10.00 C ATOM 357 NE ARG A 38 14.149 -6.895 -15.312 1.00 10.00 N ATOM 358 CZ ARG A 38 14.770 -7.687 -16.185 1.00 10.00 C ATOM 359 NH1 ARG A 38 15.981 -7.376 -16.628 1.00 10.00 N ATOM 360 NH2 ARG A 38 14.174 -8.788 -16.619 1.00 10.00 N ATOM 0 H ARG A 38 14.125 -4.541 -10.650 1.00 10.00 H new ATOM 0 HA ARG A 38 12.272 -6.383 -11.732 1.00 10.00 H new ATOM 0 HB2 ARG A 38 15.285 -6.125 -11.928 1.00 10.00 H new ATOM 0 HB3 ARG A 38 14.361 -7.300 -12.842 1.00 10.00 H new ATOM 0 HG2 ARG A 38 12.981 -5.165 -13.609 1.00 10.00 H new ATOM 0 HG3 ARG A 38 14.431 -4.307 -13.126 1.00 10.00 H new ATOM 0 HD2 ARG A 38 14.604 -4.857 -15.488 1.00 10.00 H new ATOM 0 HD3 ARG A 38 15.790 -5.799 -14.606 1.00 10.00 H new ATOM 0 HE ARG A 38 13.214 -7.164 -15.005 1.00 10.00 H new ATOM 0 HH11 ARG A 38 16.441 -6.527 -16.300 1.00 10.00 H new ATOM 0 HH12 ARG A 38 16.452 -7.986 -17.296 1.00 10.00 H new ATOM 0 HH21 ARG A 38 13.241 -9.028 -16.285 1.00 10.00 H new ATOM 0 HH22 ARG A 38 14.648 -9.395 -17.287 1.00 10.00 H new ATOM 367 N ARG A 39 14.189 -7.447 -9.319 1.00 10.00 N ATOM 368 CA ARG A 39 14.450 -8.546 -8.393 1.00 10.00 C ATOM 369 C ARG A 39 13.150 -9.019 -7.757 1.00 10.00 C ATOM 370 O ARG A 39 12.838 -10.209 -7.763 1.00 10.00 O ATOM 371 CB ARG A 39 15.398 -8.091 -7.284 1.00 10.00 C ATOM 372 CG ARG A 39 16.808 -7.760 -7.731 1.00 10.00 C ATOM 373 CD ARG A 39 17.500 -6.881 -6.702 1.00 10.00 C ATOM 374 NE ARG A 39 17.204 -7.308 -5.333 1.00 10.00 N ATOM 375 CZ ARG A 39 16.672 -6.523 -4.400 1.00 10.00 C ATOM 376 NH1 ARG A 39 16.343 -5.276 -4.689 1.00 10.00 N ATOM 377 NH2 ARG A 39 16.447 -7.001 -3.183 1.00 10.00 N ATOM 0 H ARG A 39 14.630 -6.566 -9.055 1.00 10.00 H new ATOM 0 HA ARG A 39 14.905 -9.362 -8.955 1.00 10.00 H new ATOM 0 HB2 ARG A 39 14.971 -7.211 -6.803 1.00 10.00 H new ATOM 0 HB3 ARG A 39 15.449 -8.875 -6.528 1.00 10.00 H new ATOM 0 HG2 ARG A 39 17.376 -8.679 -7.873 1.00 10.00 H new ATOM 0 HG3 ARG A 39 16.780 -7.250 -8.694 1.00 10.00 H new ATOM 0 HD2 ARG A 39 18.577 -6.909 -6.866 1.00 10.00 H new ATOM 0 HD3 ARG A 39 17.184 -5.847 -6.836 1.00 10.00 H new ATOM 0 HE ARG A 39 17.420 -8.272 -5.078 1.00 10.00 H new ATOM 0 HH11 ARG A 39 16.497 -4.913 -5.630 1.00 10.00 H new ATOM 0 HH12 ARG A 39 15.935 -4.677 -3.971 1.00 10.00 H new ATOM 0 HH21 ARG A 39 16.682 -7.969 -2.964 1.00 10.00 H new ATOM 0 HH22 ARG A 39 16.039 -6.400 -2.467 1.00 10.00 H new ATOM 384 N ILE A 40 12.395 -8.069 -7.214 1.00 10.00 N ATOM 385 CA ILE A 40 11.119 -8.370 -6.565 1.00 10.00 C ATOM 386 C ILE A 40 10.155 -8.979 -7.574 1.00 10.00 C ATOM 387 O ILE A 40 9.383 -9.885 -7.261 1.00 10.00 O ATOM 388 CB ILE A 40 10.489 -7.099 -5.952 1.00 10.00 C ATOM 389 CG1 ILE A 40 11.538 -6.333 -5.136 1.00 10.00 C ATOM 390 CG2 ILE A 40 9.293 -7.459 -5.081 1.00 10.00 C ATOM 391 CD1 ILE A 40 11.095 -4.960 -4.679 1.00 10.00 C ATOM 0 H ILE A 40 12.644 -7.080 -7.210 1.00 10.00 H new ATOM 0 HA ILE A 40 11.310 -9.081 -5.761 1.00 10.00 H new ATOM 0 HB ILE A 40 10.139 -6.459 -6.761 1.00 10.00 H new ATOM 0 HG12 ILE A 40 11.803 -6.926 -4.261 1.00 10.00 H new ATOM 0 HG13 ILE A 40 12.442 -6.229 -5.736 1.00 10.00 H new ATOM 0 HG21 ILE A 40 8.864 -6.550 -4.659 1.00 10.00 H new ATOM 0 HG22 ILE A 40 8.542 -7.968 -5.686 1.00 10.00 H new ATOM 0 HG23 ILE A 40 9.616 -8.117 -4.274 1.00 10.00 H new ATOM 0 HD11 ILE A 40 11.897 -4.490 -4.110 1.00 10.00 H new ATOM 0 HD12 ILE A 40 10.859 -4.346 -5.548 1.00 10.00 H new ATOM 0 HD13 ILE A 40 10.210 -5.054 -4.050 1.00 10.00 H new ATOM 393 N SER A 41 10.243 -8.501 -8.805 1.00 10.00 N ATOM 394 CA SER A 41 9.396 -8.986 -9.880 1.00 10.00 C ATOM 395 C SER A 41 9.703 -10.449 -10.215 1.00 10.00 C ATOM 396 O SER A 41 8.920 -11.118 -10.887 1.00 10.00 O ATOM 397 CB SER A 41 9.576 -8.102 -11.117 1.00 10.00 C ATOM 398 OG SER A 41 9.380 -6.734 -10.787 1.00 10.00 O ATOM 0 H SER A 41 10.899 -7.771 -9.085 1.00 10.00 H new ATOM 0 HA SER A 41 8.358 -8.936 -9.550 1.00 10.00 H new ATOM 0 HB2 SER A 41 10.575 -8.243 -11.529 1.00 10.00 H new ATOM 0 HB3 SER A 41 8.868 -8.400 -11.890 1.00 10.00 H new ATOM 0 HG SER A 41 10.152 -6.406 -10.279 1.00 10.00 H new ATOM 401 N ALA A 42 10.837 -10.941 -9.729 1.00 10.00 N ATOM 402 CA ALA A 42 11.242 -12.317 -9.979 1.00 10.00 C ATOM 403 C ALA A 42 11.033 -13.200 -8.750 1.00 10.00 C ATOM 404 O ALA A 42 10.539 -14.323 -8.864 1.00 10.00 O ATOM 405 CB ALA A 42 12.692 -12.372 -10.440 1.00 10.00 C ATOM 0 H ALA A 42 11.492 -10.406 -9.159 1.00 10.00 H new ATOM 0 HA ALA A 42 10.607 -12.708 -10.774 1.00 10.00 H new ATOM 0 HB1 ALA A 42 12.977 -13.408 -10.622 1.00 10.00 H new ATOM 0 HB2 ALA A 42 12.803 -11.798 -11.360 1.00 10.00 H new ATOM 0 HB3 ALA A 42 13.335 -11.949 -9.669 1.00 10.00 H new ATOM 407 N THR A 43 11.390 -12.692 -7.578 1.00 10.00 N ATOM 408 CA THR A 43 11.258 -13.456 -6.342 1.00 10.00 C ATOM 409 C THR A 43 9.796 -13.707 -5.974 1.00 10.00 C ATOM 410 O THR A 43 9.379 -14.855 -5.798 1.00 10.00 O ATOM 411 CB THR A 43 11.972 -12.760 -5.175 1.00 10.00 C ATOM 412 OG1 THR A 43 11.766 -11.346 -5.269 1.00 10.00 O ATOM 413 CG2 THR A 43 13.463 -13.059 -5.209 1.00 10.00 C ATOM 0 H THR A 43 11.773 -11.755 -7.456 1.00 10.00 H new ATOM 0 HA THR A 43 11.733 -14.420 -6.525 1.00 10.00 H new ATOM 0 HB THR A 43 11.561 -13.133 -4.237 1.00 10.00 H new ATOM 0 HG1 THR A 43 11.127 -11.062 -4.582 1.00 10.00 H new ATOM 0 HG21 THR A 43 13.954 -12.558 -4.375 1.00 10.00 H new ATOM 0 HG22 THR A 43 13.620 -14.135 -5.129 1.00 10.00 H new ATOM 0 HG23 THR A 43 13.885 -12.699 -6.147 1.00 10.00 H new ATOM 416 N THR A 44 9.022 -12.642 -5.868 1.00 10.00 N ATOM 417 CA THR A 44 7.617 -12.760 -5.521 1.00 10.00 C ATOM 418 C THR A 44 6.739 -12.785 -6.773 1.00 10.00 C ATOM 419 O THR A 44 5.519 -12.941 -6.686 1.00 10.00 O ATOM 420 CB THR A 44 7.191 -11.619 -4.583 1.00 10.00 C ATOM 421 OG1 THR A 44 8.110 -10.530 -4.729 1.00 10.00 O ATOM 422 CG2 THR A 44 7.220 -12.095 -3.139 1.00 10.00 C ATOM 0 H THR A 44 9.343 -11.685 -6.017 1.00 10.00 H new ATOM 0 HA THR A 44 7.481 -13.706 -4.997 1.00 10.00 H new ATOM 0 HB THR A 44 6.180 -11.301 -4.839 1.00 10.00 H new ATOM 0 HG1 THR A 44 8.902 -10.694 -4.176 1.00 10.00 H new ATOM 0 HG21 THR A 44 6.917 -11.280 -2.481 1.00 10.00 H new ATOM 0 HG22 THR A 44 6.534 -12.933 -3.018 1.00 10.00 H new ATOM 0 HG23 THR A 44 8.230 -12.413 -2.881 1.00 10.00 H new ATOM 425 N ASN A 45 7.392 -12.655 -7.931 1.00 10.00 N ATOM 426 CA ASN A 45 6.725 -12.660 -9.239 1.00 10.00 C ATOM 427 C ASN A 45 5.740 -11.506 -9.400 1.00 10.00 C ATOM 428 O ASN A 45 4.601 -11.566 -8.930 1.00 10.00 O ATOM 429 CB ASN A 45 6.062 -14.003 -9.563 1.00 10.00 C ATOM 430 CG ASN A 45 5.870 -14.198 -11.057 1.00 10.00 C ATOM 431 OD1 ASN A 45 6.699 -13.771 -11.859 1.00 10.00 O ATOM 432 ND2 ASN A 45 4.776 -14.835 -11.444 1.00 10.00 N ATOM 0 H ASN A 45 8.404 -12.543 -7.989 1.00 10.00 H new ATOM 0 HA ASN A 45 7.520 -12.511 -9.970 1.00 10.00 H new ATOM 0 HB2 ASN A 45 6.674 -14.814 -9.167 1.00 10.00 H new ATOM 0 HB3 ASN A 45 5.095 -14.060 -9.063 1.00 10.00 H new ATOM 0 HD21 ASN A 45 4.598 -14.986 -12.437 1.00 10.00 H new ATOM 0 HD22 ASN A 45 4.111 -15.175 -10.749 1.00 10.00 H new ATOM 436 N LEU A 46 6.193 -10.457 -10.070 1.00 10.00 N ATOM 437 CA LEU A 46 5.381 -9.275 -10.313 1.00 10.00 C ATOM 438 C LEU A 46 5.647 -8.744 -11.714 1.00 10.00 C ATOM 439 O LEU A 46 6.720 -8.956 -12.275 1.00 10.00 O ATOM 440 CB LEU A 46 5.676 -8.186 -9.277 1.00 10.00 C ATOM 441 CG LEU A 46 5.184 -8.455 -7.851 1.00 10.00 C ATOM 442 CD1 LEU A 46 5.732 -7.414 -6.888 1.00 10.00 C ATOM 443 CD2 LEU A 46 3.663 -8.479 -7.804 1.00 10.00 C ATOM 0 H LEU A 46 7.134 -10.402 -10.460 1.00 10.00 H new ATOM 0 HA LEU A 46 4.331 -9.555 -10.225 1.00 10.00 H new ATOM 0 HB2 LEU A 46 6.754 -8.029 -9.243 1.00 10.00 H new ATOM 0 HB3 LEU A 46 5.229 -7.254 -9.623 1.00 10.00 H new ATOM 0 HG LEU A 46 5.552 -9.433 -7.542 1.00 10.00 H new ATOM 0 HD11 LEU A 46 5.370 -7.624 -5.881 1.00 10.00 H new ATOM 0 HD12 LEU A 46 6.821 -7.448 -6.897 1.00 10.00 H new ATOM 0 HD13 LEU A 46 5.398 -6.423 -7.195 1.00 10.00 H new ATOM 0 HD21 LEU A 46 3.334 -8.671 -6.783 1.00 10.00 H new ATOM 0 HD22 LEU A 46 3.274 -7.517 -8.136 1.00 10.00 H new ATOM 0 HD23 LEU A 46 3.291 -9.266 -8.460 1.00 10.00 H new ATOM 445 N SER A 47 4.671 -8.051 -12.274 1.00 10.00 N ATOM 446 CA SER A 47 4.790 -7.493 -13.613 1.00 10.00 C ATOM 447 C SER A 47 5.484 -6.129 -13.607 1.00 10.00 C ATOM 448 O SER A 47 5.169 -5.266 -14.433 1.00 10.00 O ATOM 449 CB SER A 47 3.389 -7.369 -14.210 1.00 10.00 C ATOM 450 OG SER A 47 2.408 -7.519 -13.194 1.00 10.00 O ATOM 0 H SER A 47 3.779 -7.859 -11.819 1.00 10.00 H new ATOM 0 HA SER A 47 5.407 -8.159 -14.216 1.00 10.00 H new ATOM 0 HB2 SER A 47 3.277 -6.399 -14.694 1.00 10.00 H new ATOM 0 HB3 SER A 47 3.245 -8.128 -14.979 1.00 10.00 H new ATOM 0 HG SER A 47 1.514 -7.436 -13.587 1.00 10.00 H new ATOM 453 N GLU A 48 6.425 -5.948 -12.674 1.00 10.00 N ATOM 454 CA GLU A 48 7.183 -4.700 -12.527 1.00 10.00 C ATOM 455 C GLU A 48 6.320 -3.537 -12.041 1.00 10.00 C ATOM 456 O GLU A 48 6.604 -2.941 -11.006 1.00 10.00 O ATOM 457 CB GLU A 48 7.965 -4.327 -13.792 1.00 10.00 C ATOM 458 CG GLU A 48 9.382 -4.878 -13.825 1.00 10.00 C ATOM 459 CD GLU A 48 10.281 -4.109 -14.768 1.00 10.00 C ATOM 460 OE1 GLU A 48 10.841 -3.073 -14.349 1.00 10.00 O ATOM 461 OE2 GLU A 48 10.425 -4.534 -15.932 1.00 10.00 O ATOM 0 H GLU A 48 6.683 -6.666 -11.997 1.00 10.00 H new ATOM 0 HA GLU A 48 7.918 -4.898 -11.747 1.00 10.00 H new ATOM 0 HB2 GLU A 48 7.423 -4.693 -14.664 1.00 10.00 H new ATOM 0 HB3 GLU A 48 8.006 -3.241 -13.875 1.00 10.00 H new ATOM 0 HG2 GLU A 48 9.804 -4.847 -12.820 1.00 10.00 H new ATOM 0 HG3 GLU A 48 9.354 -5.925 -14.127 1.00 10.00 H new ATOM 463 N ARG A 49 5.266 -3.227 -12.790 1.00 10.00 N ATOM 464 CA ARG A 49 4.350 -2.146 -12.448 1.00 10.00 C ATOM 465 C ARG A 49 3.761 -2.361 -11.055 1.00 10.00 C ATOM 466 O ARG A 49 3.606 -1.417 -10.281 1.00 10.00 O ATOM 467 CB ARG A 49 3.223 -2.083 -13.486 1.00 10.00 C ATOM 468 CG ARG A 49 2.017 -1.261 -13.061 1.00 10.00 C ATOM 469 CD ARG A 49 0.866 -1.441 -14.035 1.00 10.00 C ATOM 470 NE ARG A 49 -0.399 -0.969 -13.480 1.00 10.00 N ATOM 471 CZ ARG A 49 -1.471 -0.678 -14.216 1.00 10.00 C ATOM 472 NH1 ARG A 49 -1.423 -0.792 -15.538 1.00 10.00 N ATOM 473 NH2 ARG A 49 -2.584 -0.265 -13.629 1.00 10.00 N ATOM 0 H ARG A 49 5.024 -3.718 -13.650 1.00 10.00 H new ATOM 0 HA ARG A 49 4.900 -1.205 -12.448 1.00 10.00 H new ATOM 0 HB2 ARG A 49 3.622 -1.667 -14.411 1.00 10.00 H new ATOM 0 HB3 ARG A 49 2.894 -3.098 -13.708 1.00 10.00 H new ATOM 0 HG2 ARG A 49 1.702 -1.560 -12.061 1.00 10.00 H new ATOM 0 HG3 ARG A 49 2.291 -0.207 -13.007 1.00 10.00 H new ATOM 0 HD2 ARG A 49 1.082 -0.900 -14.956 1.00 10.00 H new ATOM 0 HD3 ARG A 49 0.776 -2.495 -14.299 1.00 10.00 H new ATOM 0 HE ARG A 49 -0.466 -0.855 -12.469 1.00 10.00 H new ATOM 0 HH11 ARG A 49 -0.564 -1.103 -15.992 1.00 10.00 H new ATOM 0 HH12 ARG A 49 -2.245 -0.569 -16.099 1.00 10.00 H new ATOM 0 HH21 ARG A 49 -2.620 -0.170 -12.614 1.00 10.00 H new ATOM 0 HH22 ARG A 49 -3.405 -0.042 -14.192 1.00 10.00 H new ATOM 480 N GLN A 50 3.466 -3.616 -10.737 1.00 10.00 N ATOM 481 CA GLN A 50 2.888 -3.962 -9.445 1.00 10.00 C ATOM 482 C GLN A 50 3.843 -3.675 -8.290 1.00 10.00 C ATOM 483 O GLN A 50 3.412 -3.513 -7.150 1.00 10.00 O ATOM 484 CB GLN A 50 2.407 -5.416 -9.418 1.00 10.00 C ATOM 485 CG GLN A 50 1.298 -5.724 -10.418 1.00 10.00 C ATOM 486 CD GLN A 50 0.257 -4.625 -10.501 1.00 10.00 C ATOM 487 OE1 GLN A 50 0.368 -3.710 -11.317 1.00 10.00 O ATOM 488 NE2 GLN A 50 -0.758 -4.704 -9.659 1.00 10.00 N ATOM 0 H GLN A 50 3.618 -4.411 -11.357 1.00 10.00 H new ATOM 0 HA GLN A 50 2.018 -3.319 -9.307 1.00 10.00 H new ATOM 0 HB2 GLN A 50 3.255 -6.071 -9.618 1.00 10.00 H new ATOM 0 HB3 GLN A 50 2.052 -5.651 -8.415 1.00 10.00 H new ATOM 0 HG2 GLN A 50 1.737 -5.877 -11.404 1.00 10.00 H new ATOM 0 HG3 GLN A 50 0.811 -6.658 -10.137 1.00 10.00 H new ATOM 0 HE21 GLN A 50 -0.813 -5.479 -8.998 1.00 10.00 H new ATOM 0 HE22 GLN A 50 -1.487 -3.990 -9.670 1.00 10.00 H new ATOM 492 N VAL A 51 5.137 -3.596 -8.586 1.00 10.00 N ATOM 493 CA VAL A 51 6.133 -3.302 -7.561 1.00 10.00 C ATOM 494 C VAL A 51 5.932 -1.870 -7.076 1.00 10.00 C ATOM 495 O VAL A 51 5.942 -1.594 -5.875 1.00 10.00 O ATOM 496 CB VAL A 51 7.574 -3.473 -8.095 1.00 10.00 C ATOM 497 CG1 VAL A 51 8.595 -3.165 -7.007 1.00 10.00 C ATOM 498 CG2 VAL A 51 7.781 -4.879 -8.635 1.00 10.00 C ATOM 0 H VAL A 51 5.519 -3.731 -9.522 1.00 10.00 H new ATOM 0 HA VAL A 51 6.001 -4.007 -6.740 1.00 10.00 H new ATOM 0 HB VAL A 51 7.719 -2.764 -8.910 1.00 10.00 H new ATOM 0 HG11 VAL A 51 9.601 -3.292 -7.406 1.00 10.00 H new ATOM 0 HG12 VAL A 51 8.466 -2.137 -6.668 1.00 10.00 H new ATOM 0 HG13 VAL A 51 8.449 -3.845 -6.168 1.00 10.00 H new ATOM 0 HG21 VAL A 51 8.801 -4.980 -9.006 1.00 10.00 H new ATOM 0 HG22 VAL A 51 7.612 -5.603 -7.838 1.00 10.00 H new ATOM 0 HG23 VAL A 51 7.079 -5.063 -9.448 1.00 10.00 H new ATOM 500 N THR A 52 5.731 -0.967 -8.027 1.00 10.00 N ATOM 501 CA THR A 52 5.498 0.431 -7.717 1.00 10.00 C ATOM 502 C THR A 52 4.159 0.569 -7.000 1.00 10.00 C ATOM 503 O THR A 52 4.019 1.363 -6.072 1.00 10.00 O ATOM 504 CB THR A 52 5.465 1.268 -9.007 1.00 10.00 C ATOM 505 OG1 THR A 52 6.162 0.559 -10.045 1.00 10.00 O ATOM 506 CG2 THR A 52 6.127 2.617 -8.786 1.00 10.00 C ATOM 0 H THR A 52 5.725 -1.183 -9.024 1.00 10.00 H new ATOM 0 HA THR A 52 6.306 0.791 -7.080 1.00 10.00 H new ATOM 0 HB THR A 52 4.427 1.432 -9.296 1.00 10.00 H new ATOM 0 HG1 THR A 52 6.143 1.086 -10.871 1.00 10.00 H new ATOM 0 HG21 THR A 52 6.094 3.194 -9.710 1.00 10.00 H new ATOM 0 HG22 THR A 52 5.598 3.158 -8.001 1.00 10.00 H new ATOM 0 HG23 THR A 52 7.165 2.469 -8.488 1.00 10.00 H new ATOM 509 N ILE A 53 3.197 -0.245 -7.433 1.00 10.00 N ATOM 510 CA ILE A 53 1.859 -0.258 -6.857 1.00 10.00 C ATOM 511 C ILE A 53 1.913 -0.428 -5.339 1.00 10.00 C ATOM 512 O ILE A 53 1.350 0.376 -4.595 1.00 10.00 O ATOM 513 CB ILE A 53 0.994 -1.380 -7.485 1.00 10.00 C ATOM 514 CG1 ILE A 53 0.634 -1.042 -8.937 1.00 10.00 C ATOM 515 CG2 ILE A 53 -0.261 -1.661 -6.667 1.00 10.00 C ATOM 516 CD1 ILE A 53 -0.049 0.298 -9.112 1.00 10.00 C ATOM 0 H ILE A 53 3.326 -0.913 -8.193 1.00 10.00 H new ATOM 0 HA ILE A 53 1.398 0.704 -7.081 1.00 10.00 H new ATOM 0 HB ILE A 53 1.593 -2.291 -7.479 1.00 10.00 H new ATOM 0 HG12 ILE A 53 1.544 -1.054 -9.537 1.00 10.00 H new ATOM 0 HG13 ILE A 53 -0.017 -1.823 -9.329 1.00 10.00 H new ATOM 0 HG21 ILE A 53 -0.837 -2.454 -7.145 1.00 10.00 H new ATOM 0 HG22 ILE A 53 0.022 -1.973 -5.662 1.00 10.00 H new ATOM 0 HG23 ILE A 53 -0.867 -0.757 -6.609 1.00 10.00 H new ATOM 0 HD11 ILE A 53 -0.269 0.459 -10.167 1.00 10.00 H new ATOM 0 HD12 ILE A 53 -0.978 0.310 -8.542 1.00 10.00 H new ATOM 0 HD13 ILE A 53 0.608 1.091 -8.753 1.00 10.00 H new ATOM 518 N TRP A 54 2.610 -1.458 -4.876 1.00 10.00 N ATOM 519 CA TRP A 54 2.720 -1.705 -3.445 1.00 10.00 C ATOM 520 C TRP A 54 3.643 -0.699 -2.766 1.00 10.00 C ATOM 521 O TRP A 54 3.456 -0.374 -1.595 1.00 10.00 O ATOM 522 CB TRP A 54 3.137 -3.144 -3.144 1.00 10.00 C ATOM 523 CG TRP A 54 1.968 -4.039 -2.865 1.00 10.00 C ATOM 524 CD1 TRP A 54 1.244 -4.102 -1.710 1.00 10.00 C ATOM 525 CD2 TRP A 54 1.386 -4.995 -3.757 1.00 10.00 C ATOM 526 NE1 TRP A 54 0.244 -5.034 -1.827 1.00 10.00 N ATOM 527 CE2 TRP A 54 0.310 -5.599 -3.075 1.00 10.00 C ATOM 528 CE3 TRP A 54 1.665 -5.399 -5.064 1.00 10.00 C ATOM 529 CZ2 TRP A 54 -0.483 -6.585 -3.658 1.00 10.00 C ATOM 530 CZ3 TRP A 54 0.877 -6.377 -5.642 1.00 10.00 C ATOM 531 CH2 TRP A 54 -0.185 -6.958 -4.941 1.00 10.00 C ATOM 0 H TRP A 54 3.103 -2.130 -5.464 1.00 10.00 H new ATOM 0 HA TRP A 54 1.725 -1.566 -3.023 1.00 10.00 H new ATOM 0 HB2 TRP A 54 3.698 -3.540 -3.990 1.00 10.00 H new ATOM 0 HB3 TRP A 54 3.808 -3.151 -2.285 1.00 10.00 H new ATOM 0 HD1 TRP A 54 1.431 -3.504 -0.830 1.00 10.00 H new ATOM 0 HE1 TRP A 54 -0.437 -5.268 -1.104 1.00 10.00 H new ATOM 0 HE3 TRP A 54 2.482 -4.955 -5.614 1.00 10.00 H new ATOM 0 HZ2 TRP A 54 -1.302 -7.038 -3.118 1.00 10.00 H new ATOM 0 HZ3 TRP A 54 1.085 -6.698 -6.652 1.00 10.00 H new ATOM 0 HH2 TRP A 54 -0.783 -7.718 -5.423 1.00 10.00 H new ATOM 534 N PHE A 55 4.628 -0.199 -3.502 1.00 10.00 N ATOM 535 CA PHE A 55 5.556 0.786 -2.956 1.00 10.00 C ATOM 536 C PHE A 55 4.823 2.078 -2.607 1.00 10.00 C ATOM 537 O PHE A 55 5.052 2.672 -1.554 1.00 10.00 O ATOM 538 CB PHE A 55 6.715 1.066 -3.919 1.00 10.00 C ATOM 539 CG PHE A 55 8.031 0.511 -3.447 1.00 10.00 C ATOM 540 CD1 PHE A 55 8.412 -0.781 -3.770 1.00 10.00 C ATOM 541 CD2 PHE A 55 8.880 1.280 -2.670 1.00 10.00 C ATOM 542 CE1 PHE A 55 9.616 -1.294 -3.330 1.00 10.00 C ATOM 543 CE2 PHE A 55 10.086 0.772 -2.224 1.00 10.00 C ATOM 544 CZ PHE A 55 10.453 -0.516 -2.555 1.00 10.00 C ATOM 0 H PHE A 55 4.805 -0.457 -4.473 1.00 10.00 H new ATOM 0 HA PHE A 55 5.981 0.368 -2.043 1.00 10.00 H new ATOM 0 HB2 PHE A 55 6.478 0.640 -4.894 1.00 10.00 H new ATOM 0 HB3 PHE A 55 6.812 2.143 -4.056 1.00 10.00 H new ATOM 0 HD1 PHE A 55 7.759 -1.395 -4.373 1.00 10.00 H new ATOM 0 HD2 PHE A 55 8.597 2.289 -2.409 1.00 10.00 H new ATOM 0 HE1 PHE A 55 9.903 -2.302 -3.592 1.00 10.00 H new ATOM 0 HE2 PHE A 55 10.739 1.382 -1.618 1.00 10.00 H new ATOM 0 HZ PHE A 55 11.394 -0.916 -2.208 1.00 10.00 H new ATOM 546 N GLN A 56 3.933 2.498 -3.495 1.00 10.00 N ATOM 547 CA GLN A 56 3.147 3.701 -3.277 1.00 10.00 C ATOM 548 C GLN A 56 2.063 3.430 -2.235 1.00 10.00 C ATOM 549 O GLN A 56 1.748 4.284 -1.408 1.00 10.00 O ATOM 550 CB GLN A 56 2.497 4.151 -4.589 1.00 10.00 C ATOM 551 CG GLN A 56 3.478 4.446 -5.712 1.00 10.00 C ATOM 552 CD GLN A 56 2.801 4.494 -7.070 1.00 10.00 C ATOM 553 OE1 GLN A 56 2.680 3.481 -7.754 1.00 10.00 O ATOM 554 NE2 GLN A 56 2.362 5.672 -7.475 1.00 10.00 N ATOM 0 H GLN A 56 3.738 2.021 -4.375 1.00 10.00 H new ATOM 0 HA GLN A 56 3.806 4.491 -2.917 1.00 10.00 H new ATOM 0 HB2 GLN A 56 1.806 3.376 -4.922 1.00 10.00 H new ATOM 0 HB3 GLN A 56 1.904 5.045 -4.398 1.00 10.00 H new ATOM 0 HG2 GLN A 56 3.971 5.399 -5.520 1.00 10.00 H new ATOM 0 HG3 GLN A 56 4.255 3.682 -5.723 1.00 10.00 H new ATOM 0 HE21 GLN A 56 2.480 6.492 -6.880 1.00 10.00 H new ATOM 0 HE22 GLN A 56 1.905 5.762 -8.383 1.00 10.00 H new ATOM 558 N ASN A 57 1.522 2.215 -2.270 1.00 10.00 N ATOM 559 CA ASN A 57 0.467 1.806 -1.349 1.00 10.00 C ATOM 560 C ASN A 57 0.965 1.741 0.091 1.00 10.00 C ATOM 561 O ASN A 57 0.200 1.935 1.039 1.00 10.00 O ATOM 562 CB ASN A 57 -0.079 0.440 -1.755 1.00 10.00 C ATOM 563 CG ASN A 57 -1.562 0.315 -1.506 1.00 10.00 C ATOM 564 OD1 ASN A 57 -2.165 1.141 -0.824 1.00 10.00 O ATOM 565 ND2 ASN A 57 -2.161 -0.728 -2.050 1.00 10.00 N ATOM 0 H ASN A 57 1.800 1.491 -2.933 1.00 10.00 H new ATOM 0 HA ASN A 57 -0.322 2.556 -1.403 1.00 10.00 H new ATOM 0 HB2 ASN A 57 0.125 0.270 -2.812 1.00 10.00 H new ATOM 0 HB3 ASN A 57 0.446 -0.338 -1.200 1.00 10.00 H new ATOM 0 HD21 ASN A 57 -3.161 -0.872 -1.911 1.00 10.00 H new ATOM 0 HD22 ASN A 57 -1.624 -1.390 -2.609 1.00 10.00 H new ATOM 569 N ARG A 58 2.252 1.461 0.258 1.00 10.00 N ATOM 570 CA ARG A 58 2.844 1.368 1.586 1.00 10.00 C ATOM 571 C ARG A 58 2.719 2.685 2.351 1.00 10.00 C ATOM 572 O ARG A 58 2.625 2.689 3.579 1.00 10.00 O ATOM 573 CB ARG A 58 4.314 0.946 1.502 1.00 10.00 C ATOM 574 CG ARG A 58 4.936 0.645 2.856 1.00 10.00 C ATOM 575 CD ARG A 58 6.354 1.178 2.947 1.00 10.00 C ATOM 576 NE ARG A 58 6.618 1.791 4.247 1.00 10.00 N ATOM 577 CZ ARG A 58 7.296 1.201 5.229 1.00 10.00 C ATOM 578 NH1 ARG A 58 7.814 -0.005 5.043 1.00 10.00 N ATOM 579 NH2 ARG A 58 7.457 1.820 6.390 1.00 10.00 N ATOM 0 H ARG A 58 2.904 1.295 -0.508 1.00 10.00 H new ATOM 0 HA ARG A 58 2.290 0.605 2.133 1.00 10.00 H new ATOM 0 HB2 ARG A 58 4.395 0.062 0.869 1.00 10.00 H new ATOM 0 HB3 ARG A 58 4.884 1.738 1.017 1.00 10.00 H new ATOM 0 HG2 ARG A 58 4.328 1.089 3.644 1.00 10.00 H new ATOM 0 HG3 ARG A 58 4.939 -0.432 3.025 1.00 10.00 H new ATOM 0 HD2 ARG A 58 7.060 0.365 2.778 1.00 10.00 H new ATOM 0 HD3 ARG A 58 6.518 1.912 2.158 1.00 10.00 H new ATOM 0 HE ARG A 58 6.260 2.732 4.413 1.00 10.00 H new ATOM 0 HH11 ARG A 58 7.693 -0.480 4.148 1.00 10.00 H new ATOM 0 HH12 ARG A 58 8.334 -0.458 5.795 1.00 10.00 H new ATOM 0 HH21 ARG A 58 7.061 2.749 6.532 1.00 10.00 H new ATOM 0 HH22 ARG A 58 7.977 1.367 7.142 1.00 10.00 H new ATOM 586 N ARG A 59 2.693 3.792 1.610 1.00 10.00 N ATOM 587 CA ARG A 59 2.589 5.125 2.199 1.00 10.00 C ATOM 588 C ARG A 59 1.331 5.272 3.050 1.00 10.00 C ATOM 589 O ARG A 59 1.397 5.724 4.196 1.00 10.00 O ATOM 590 CB ARG A 59 2.625 6.194 1.104 1.00 10.00 C ATOM 591 CG ARG A 59 3.912 6.212 0.293 1.00 10.00 C ATOM 592 CD ARG A 59 4.971 7.096 0.934 1.00 10.00 C ATOM 593 NE ARG A 59 5.302 6.690 2.300 1.00 10.00 N ATOM 594 CZ ARG A 59 5.421 7.538 3.320 1.00 10.00 C ATOM 595 NH1 ARG A 59 5.180 8.832 3.153 1.00 10.00 N ATOM 596 NH2 ARG A 59 5.757 7.085 4.515 1.00 10.00 N ATOM 0 H ARG A 59 2.743 3.790 0.591 1.00 10.00 H new ATOM 0 HA ARG A 59 3.446 5.263 2.858 1.00 10.00 H new ATOM 0 HB2 ARG A 59 1.785 6.034 0.428 1.00 10.00 H new ATOM 0 HB3 ARG A 59 2.484 7.173 1.562 1.00 10.00 H new ATOM 0 HG2 ARG A 59 4.296 5.196 0.197 1.00 10.00 H new ATOM 0 HG3 ARG A 59 3.702 6.569 -0.715 1.00 10.00 H new ATOM 0 HD2 ARG A 59 5.874 7.072 0.324 1.00 10.00 H new ATOM 0 HD3 ARG A 59 4.619 8.128 0.942 1.00 10.00 H new ATOM 0 HE ARG A 59 5.451 5.697 2.482 1.00 10.00 H new ATOM 0 HH11 ARG A 59 4.901 9.185 2.238 1.00 10.00 H new ATOM 0 HH12 ARG A 59 5.274 9.474 3.940 1.00 10.00 H new ATOM 0 HH21 ARG A 59 5.924 6.088 4.654 1.00 10.00 H new ATOM 0 HH22 ARG A 59 5.849 7.732 5.298 1.00 10.00 H new ATOM 603 N VAL A 60 0.190 4.889 2.497 1.00 10.00 N ATOM 604 CA VAL A 60 -1.069 4.980 3.226 1.00 10.00 C ATOM 605 C VAL A 60 -1.167 3.879 4.283 1.00 10.00 C ATOM 606 O VAL A 60 -1.713 4.090 5.370 1.00 10.00 O ATOM 607 CB VAL A 60 -2.297 4.945 2.280 1.00 10.00 C ATOM 608 CG1 VAL A 60 -2.129 3.902 1.189 1.00 10.00 C ATOM 609 CG2 VAL A 60 -3.586 4.709 3.056 1.00 10.00 C ATOM 0 H VAL A 60 0.108 4.514 1.552 1.00 10.00 H new ATOM 0 HA VAL A 60 -1.078 5.947 3.729 1.00 10.00 H new ATOM 0 HB VAL A 60 -2.364 5.922 1.801 1.00 10.00 H new ATOM 0 HG11 VAL A 60 -3.008 3.905 0.544 1.00 10.00 H new ATOM 0 HG12 VAL A 60 -1.244 4.134 0.597 1.00 10.00 H new ATOM 0 HG13 VAL A 60 -2.014 2.917 1.642 1.00 10.00 H new ATOM 0 HG21 VAL A 60 -4.429 4.690 2.365 1.00 10.00 H new ATOM 0 HG22 VAL A 60 -3.525 3.756 3.581 1.00 10.00 H new ATOM 0 HG23 VAL A 60 -3.728 5.513 3.779 1.00 10.00 H new ATOM 611 N LYS A 61 -0.604 2.716 3.971 1.00 10.00 N ATOM 612 CA LYS A 61 -0.623 1.587 4.888 1.00 10.00 C ATOM 613 C LYS A 61 0.069 1.931 6.207 1.00 10.00 C ATOM 614 O LYS A 61 -0.491 1.714 7.285 1.00 10.00 O ATOM 615 CB LYS A 61 0.027 0.363 4.245 1.00 10.00 C ATOM 616 CG LYS A 61 -0.241 -0.942 4.978 1.00 10.00 C ATOM 617 CD LYS A 61 0.538 -2.090 4.362 1.00 10.00 C ATOM 618 CE LYS A 61 0.248 -3.400 5.073 1.00 10.00 C ATOM 619 NZ LYS A 61 -1.135 -3.875 4.814 1.00 10.00 N ATOM 0 H LYS A 61 -0.128 2.533 3.087 1.00 10.00 H new ATOM 0 HA LYS A 61 -1.665 1.353 5.108 1.00 10.00 H new ATOM 0 HB2 LYS A 61 -0.332 0.271 3.220 1.00 10.00 H new ATOM 0 HB3 LYS A 61 1.104 0.523 4.193 1.00 10.00 H new ATOM 0 HG2 LYS A 61 0.033 -0.835 6.027 1.00 10.00 H new ATOM 0 HG3 LYS A 61 -1.307 -1.166 4.948 1.00 10.00 H new ATOM 0 HD2 LYS A 61 0.280 -2.182 3.307 1.00 10.00 H new ATOM 0 HD3 LYS A 61 1.606 -1.876 4.412 1.00 10.00 H new ATOM 0 HE2 LYS A 61 0.960 -4.157 4.744 1.00 10.00 H new ATOM 0 HE3 LYS A 61 0.393 -3.271 6.146 1.00 10.00 H new ATOM 0 HZ1 LYS A 61 -1.241 -4.846 5.172 1.00 10.00 H new ATOM 0 HZ2 LYS A 61 -1.812 -3.251 5.298 1.00 10.00 H new ATOM 0 HZ3 LYS A 61 -1.321 -3.861 3.791 1.00 10.00 H new ATOM 624 N GLU A 62 1.274 2.490 6.120 1.00 10.00 N ATOM 625 CA GLU A 62 2.025 2.855 7.317 1.00 10.00 C ATOM 626 C GLU A 62 1.413 4.065 8.016 1.00 10.00 C ATOM 627 O GLU A 62 1.580 4.247 9.224 1.00 10.00 O ATOM 628 CB GLU A 62 3.507 3.080 7.010 1.00 10.00 C ATOM 629 CG GLU A 62 3.801 4.235 6.071 1.00 10.00 C ATOM 630 CD GLU A 62 5.250 4.248 5.640 1.00 10.00 C ATOM 631 OE1 GLU A 62 6.131 4.153 6.517 1.00 10.00 O ATOM 632 OE2 GLU A 62 5.521 4.343 4.425 1.00 10.00 O ATOM 0 H GLU A 62 1.747 2.698 5.241 1.00 10.00 H new ATOM 0 HA GLU A 62 1.960 2.012 8.005 1.00 10.00 H new ATOM 0 HB2 GLU A 62 4.035 3.251 7.948 1.00 10.00 H new ATOM 0 HB3 GLU A 62 3.915 2.167 6.577 1.00 10.00 H new ATOM 0 HG2 GLU A 62 3.160 4.162 5.192 1.00 10.00 H new ATOM 0 HG3 GLU A 62 3.559 5.176 6.565 1.00 10.00 H new ATOM 634 N LYS A 63 0.696 4.885 7.254 1.00 10.00 N ATOM 635 CA LYS A 63 0.040 6.064 7.805 1.00 10.00 C ATOM 636 C LYS A 63 -1.099 5.629 8.719 1.00 10.00 C ATOM 637 O LYS A 63 -1.360 6.250 9.751 1.00 10.00 O ATOM 638 CB LYS A 63 -0.506 6.950 6.680 1.00 10.00 C ATOM 639 CG LYS A 63 -1.124 8.260 7.147 1.00 10.00 C ATOM 640 CD LYS A 63 -1.742 9.021 5.983 1.00 10.00 C ATOM 641 CE LYS A 63 -2.426 10.294 6.450 1.00 10.00 C ATOM 642 NZ LYS A 63 -3.081 11.017 5.330 1.00 10.00 N ATOM 0 H LYS A 63 0.555 4.754 6.252 1.00 10.00 H new ATOM 0 HA LYS A 63 0.769 6.640 8.376 1.00 10.00 H new ATOM 0 HB2 LYS A 63 0.304 7.173 5.986 1.00 10.00 H new ATOM 0 HB3 LYS A 63 -1.256 6.388 6.124 1.00 10.00 H new ATOM 0 HG2 LYS A 63 -1.887 8.058 7.899 1.00 10.00 H new ATOM 0 HG3 LYS A 63 -0.361 8.876 7.624 1.00 10.00 H new ATOM 0 HD2 LYS A 63 -0.968 9.268 5.257 1.00 10.00 H new ATOM 0 HD3 LYS A 63 -2.465 8.384 5.474 1.00 10.00 H new ATOM 0 HE2 LYS A 63 -3.170 10.049 7.208 1.00 10.00 H new ATOM 0 HE3 LYS A 63 -1.693 10.947 6.923 1.00 10.00 H new ATOM 0 HZ1 LYS A 63 -3.536 11.879 5.692 1.00 10.00 H new ATOM 0 HZ2 LYS A 63 -2.367 11.274 4.618 1.00 10.00 H new ATOM 0 HZ3 LYS A 63 -3.799 10.404 4.894 1.00 10.00 H new ATOM 647 N LYS A 64 -1.756 4.540 8.333 1.00 10.00 N ATOM 648 CA LYS A 64 -2.865 3.985 9.102 1.00 10.00 C ATOM 649 C LYS A 64 -2.386 3.531 10.480 1.00 10.00 C ATOM 650 O LYS A 64 -3.141 3.556 11.454 1.00 10.00 O ATOM 651 CB LYS A 64 -3.489 2.805 8.351 1.00 10.00 C ATOM 652 CG LYS A 64 -4.810 2.323 8.928 1.00 10.00 C ATOM 653 CD LYS A 64 -4.970 0.819 8.763 1.00 10.00 C ATOM 654 CE LYS A 64 -4.041 0.052 9.692 1.00 10.00 C ATOM 655 NZ LYS A 64 -4.354 -1.400 9.717 1.00 10.00 N ATOM 0 H LYS A 64 -1.537 4.020 7.484 1.00 10.00 H new ATOM 0 HA LYS A 64 -3.618 4.762 9.233 1.00 10.00 H new ATOM 0 HB2 LYS A 64 -3.644 3.093 7.311 1.00 10.00 H new ATOM 0 HB3 LYS A 64 -2.782 1.975 8.350 1.00 10.00 H new ATOM 0 HG2 LYS A 64 -4.864 2.583 9.985 1.00 10.00 H new ATOM 0 HG3 LYS A 64 -5.634 2.835 8.432 1.00 10.00 H new ATOM 0 HD2 LYS A 64 -6.003 0.538 8.967 1.00 10.00 H new ATOM 0 HD3 LYS A 64 -4.762 0.542 7.730 1.00 10.00 H new ATOM 0 HE2 LYS A 64 -3.009 0.195 9.372 1.00 10.00 H new ATOM 0 HE3 LYS A 64 -4.121 0.458 10.701 1.00 10.00 H new ATOM 0 HZ1 LYS A 64 -3.698 -1.885 10.362 1.00 10.00 H new ATOM 0 HZ2 LYS A 64 -5.330 -1.539 10.047 1.00 10.00 H new ATOM 0 HZ3 LYS A 64 -4.253 -1.793 8.760 1.00 10.00 H new ATOM 660 N VAL A 65 -1.125 3.124 10.554 1.00 10.00 N ATOM 661 CA VAL A 65 -0.539 2.673 11.807 1.00 10.00 C ATOM 662 C VAL A 65 -0.502 3.824 12.806 1.00 10.00 C ATOM 663 O VAL A 65 -0.831 3.651 13.976 1.00 10.00 O ATOM 664 CB VAL A 65 0.889 2.119 11.604 1.00 10.00 C ATOM 665 CG1 VAL A 65 1.447 1.559 12.906 1.00 10.00 C ATOM 666 CG2 VAL A 65 0.900 1.055 10.516 1.00 10.00 C ATOM 0 H VAL A 65 -0.488 3.098 9.758 1.00 10.00 H new ATOM 0 HA VAL A 65 -1.162 1.866 12.192 1.00 10.00 H new ATOM 0 HB VAL A 65 1.529 2.943 11.289 1.00 10.00 H new ATOM 0 HG11 VAL A 65 2.453 1.176 12.736 1.00 10.00 H new ATOM 0 HG12 VAL A 65 1.482 2.349 13.656 1.00 10.00 H new ATOM 0 HG13 VAL A 65 0.806 0.751 13.259 1.00 10.00 H new ATOM 0 HG21 VAL A 65 1.914 0.677 10.387 1.00 10.00 H new ATOM 0 HG22 VAL A 65 0.241 0.236 10.802 1.00 10.00 H new ATOM 0 HG23 VAL A 65 0.553 1.490 9.578 1.00 10.00 H new ATOM 668 N ILE A 66 -0.125 5.006 12.326 1.00 10.00 N ATOM 669 CA ILE A 66 -0.053 6.192 13.176 1.00 10.00 C ATOM 670 C ILE A 66 -1.456 6.638 13.583 1.00 10.00 C ATOM 671 O ILE A 66 -1.669 7.154 14.684 1.00 10.00 O ATOM 672 CB ILE A 66 0.662 7.358 12.461 1.00 10.00 C ATOM 673 CG1 ILE A 66 1.924 6.854 11.754 1.00 10.00 C ATOM 674 CG2 ILE A 66 1.012 8.455 13.457 1.00 10.00 C ATOM 675 CD1 ILE A 66 2.527 7.854 10.791 1.00 10.00 C ATOM 0 H ILE A 66 0.135 5.169 11.353 1.00 10.00 H new ATOM 0 HA ILE A 66 0.522 5.924 14.063 1.00 10.00 H new ATOM 0 HB ILE A 66 -0.012 7.774 11.712 1.00 10.00 H new ATOM 0 HG12 ILE A 66 2.669 6.592 12.505 1.00 10.00 H new ATOM 0 HG13 ILE A 66 1.684 5.940 11.211 1.00 10.00 H new ATOM 0 HG21 ILE A 66 1.516 9.270 12.938 1.00 10.00 H new ATOM 0 HG22 ILE A 66 0.100 8.829 13.922 1.00 10.00 H new ATOM 0 HG23 ILE A 66 1.671 8.052 14.226 1.00 10.00 H new ATOM 0 HD11 ILE A 66 3.417 7.425 10.330 1.00 10.00 H new ATOM 0 HD12 ILE A 66 1.799 8.098 10.017 1.00 10.00 H new ATOM 0 HD13 ILE A 66 2.800 8.760 11.331 1.00 10.00 H new ATOM 677 N ASN A 67 -2.407 6.423 12.684 1.00 10.00 N ATOM 678 CA ASN A 67 -3.803 6.783 12.917 1.00 10.00 C ATOM 679 C ASN A 67 -4.382 5.967 14.072 1.00 10.00 C ATOM 680 O ASN A 67 -4.890 6.521 15.050 1.00 10.00 O ATOM 681 CB ASN A 67 -4.620 6.520 11.640 1.00 10.00 C ATOM 682 CG ASN A 67 -6.004 7.152 11.648 1.00 10.00 C ATOM 683 OD1 ASN A 67 -6.576 7.438 12.700 1.00 10.00 O ATOM 684 ND2 ASN A 67 -6.557 7.374 10.465 1.00 10.00 N ATOM 0 H ASN A 67 -2.235 5.995 11.774 1.00 10.00 H new ATOM 0 HA ASN A 67 -3.854 7.840 13.177 1.00 10.00 H new ATOM 0 HB2 ASN A 67 -4.065 6.898 10.782 1.00 10.00 H new ATOM 0 HB3 ASN A 67 -4.724 5.444 11.503 1.00 10.00 H new ATOM 0 HD21 ASN A 67 -7.485 7.794 10.406 1.00 10.00 H new ATOM 0 HD22 ASN A 67 -6.055 7.125 9.613 1.00 10.00 H new ATOM 688 N LYS A 68 -4.273 4.649 13.966 1.00 10.00 N ATOM 689 CA LYS A 68 -4.799 3.752 14.991 1.00 10.00 C ATOM 690 C LYS A 68 -3.910 3.713 16.232 1.00 10.00 C ATOM 691 O LYS A 68 -4.274 3.115 17.241 1.00 10.00 O ATOM 692 CB LYS A 68 -5.005 2.338 14.431 1.00 10.00 C ATOM 693 CG LYS A 68 -6.323 2.138 13.692 1.00 10.00 C ATOM 694 CD LYS A 68 -7.512 2.392 14.608 1.00 10.00 C ATOM 695 CE LYS A 68 -8.792 1.759 14.076 1.00 10.00 C ATOM 696 NZ LYS A 68 -9.174 2.286 12.739 1.00 10.00 N ATOM 0 H LYS A 68 -3.825 4.176 13.181 1.00 10.00 H new ATOM 0 HA LYS A 68 -5.767 4.150 15.295 1.00 10.00 H new ATOM 0 HB2 LYS A 68 -4.184 2.106 13.753 1.00 10.00 H new ATOM 0 HB3 LYS A 68 -4.951 1.624 15.253 1.00 10.00 H new ATOM 0 HG2 LYS A 68 -6.369 2.812 12.837 1.00 10.00 H new ATOM 0 HG3 LYS A 68 -6.373 1.122 13.300 1.00 10.00 H new ATOM 0 HD2 LYS A 68 -7.296 1.994 15.600 1.00 10.00 H new ATOM 0 HD3 LYS A 68 -7.659 3.466 14.721 1.00 10.00 H new ATOM 0 HE2 LYS A 68 -8.661 0.679 14.013 1.00 10.00 H new ATOM 0 HE3 LYS A 68 -9.604 1.941 14.780 1.00 10.00 H new ATOM 0 HZ1 LYS A 68 -10.085 1.875 12.451 1.00 10.00 H new ATOM 0 HZ2 LYS A 68 -9.260 3.321 12.786 1.00 10.00 H new ATOM 0 HZ3 LYS A 68 -8.444 2.030 12.044 1.00 10.00 H new ATOM 701 N LEU A 69 -2.757 4.369 16.165 1.00 10.00 N ATOM 702 CA LEU A 69 -1.824 4.395 17.285 1.00 10.00 C ATOM 703 C LEU A 69 -2.364 5.240 18.436 1.00 10.00 C ATOM 704 O LEU A 69 -2.163 4.918 19.602 1.00 10.00 O ATOM 705 CB LEU A 69 -0.475 4.957 16.829 1.00 10.00 C ATOM 706 CG LEU A 69 0.707 4.752 17.775 1.00 10.00 C ATOM 707 CD1 LEU A 69 1.232 3.329 17.674 1.00 10.00 C ATOM 708 CD2 LEU A 69 1.810 5.753 17.470 1.00 10.00 C ATOM 0 H LEU A 69 -2.446 4.891 15.346 1.00 10.00 H new ATOM 0 HA LEU A 69 -1.697 3.372 17.639 1.00 10.00 H new ATOM 0 HB2 LEU A 69 -0.225 4.506 15.869 1.00 10.00 H new ATOM 0 HB3 LEU A 69 -0.592 6.027 16.657 1.00 10.00 H new ATOM 0 HG LEU A 69 0.365 4.917 18.796 1.00 10.00 H new ATOM 0 HD11 LEU A 69 2.074 3.202 18.355 1.00 10.00 H new ATOM 0 HD12 LEU A 69 0.440 2.629 17.942 1.00 10.00 H new ATOM 0 HD13 LEU A 69 1.559 3.134 16.653 1.00 10.00 H new ATOM 0 HD21 LEU A 69 2.645 5.594 18.153 1.00 10.00 H new ATOM 0 HD22 LEU A 69 2.150 5.618 16.443 1.00 10.00 H new ATOM 0 HD23 LEU A 69 1.427 6.766 17.595 1.00 10.00 H new ATOM 710 N LYS A 70 -3.070 6.310 18.089 1.00 10.00 N ATOM 711 CA LYS A 70 -3.623 7.228 19.082 1.00 10.00 C ATOM 712 C LYS A 70 -4.691 6.576 19.954 1.00 10.00 C ATOM 713 O LYS A 70 -4.678 6.738 21.172 1.00 10.00 O ATOM 714 CB LYS A 70 -4.171 8.487 18.408 1.00 10.00 C ATOM 715 CG LYS A 70 -3.130 9.271 17.620 1.00 10.00 C ATOM 716 CD LYS A 70 -2.030 9.801 18.527 1.00 10.00 C ATOM 717 CE LYS A 70 -2.454 11.078 19.234 1.00 10.00 C ATOM 718 NZ LYS A 70 -2.643 12.201 18.275 1.00 10.00 N ATOM 0 H LYS A 70 -3.275 6.565 17.123 1.00 10.00 H new ATOM 0 HA LYS A 70 -2.803 7.509 19.743 1.00 10.00 H new ATOM 0 HB2 LYS A 70 -4.982 8.204 17.737 1.00 10.00 H new ATOM 0 HB3 LYS A 70 -4.600 9.137 19.170 1.00 10.00 H new ATOM 0 HG2 LYS A 70 -2.694 8.631 16.853 1.00 10.00 H new ATOM 0 HG3 LYS A 70 -3.611 10.103 17.105 1.00 10.00 H new ATOM 0 HD2 LYS A 70 -1.771 9.044 19.267 1.00 10.00 H new ATOM 0 HD3 LYS A 70 -1.133 9.991 17.938 1.00 10.00 H new ATOM 0 HE2 LYS A 70 -3.383 10.902 19.777 1.00 10.00 H new ATOM 0 HE3 LYS A 70 -1.701 11.353 19.972 1.00 10.00 H new ATOM 0 HZ1 LYS A 70 -2.545 13.106 18.777 1.00 10.00 H new ATOM 0 HZ2 LYS A 70 -1.925 12.141 17.525 1.00 10.00 H new ATOM 0 HZ3 LYS A 70 -3.591 12.141 17.852 1.00 10.00 H new ATOM 723 N THR A 71 -5.608 5.844 19.322 1.00 10.00 N ATOM 724 CA THR A 71 -6.693 5.162 20.034 1.00 10.00 C ATOM 725 C THR A 71 -7.456 6.127 20.952 1.00 10.00 C ATOM 726 O THR A 71 -7.276 6.126 22.173 1.00 10.00 O ATOM 727 CB THR A 71 -6.177 3.954 20.846 1.00 10.00 C ATOM 728 OG1 THR A 71 -4.968 3.452 20.251 1.00 10.00 O ATOM 729 CG2 THR A 71 -7.222 2.845 20.857 1.00 10.00 C ATOM 0 H THR A 71 -5.622 5.706 18.311 1.00 10.00 H new ATOM 0 HA THR A 71 -7.380 4.791 19.274 1.00 10.00 H new ATOM 0 HB THR A 71 -5.981 4.277 21.868 1.00 10.00 H new ATOM 0 HG1 THR A 71 -5.082 3.392 19.280 1.00 10.00 H new ATOM 0 HG21 THR A 71 -6.848 1.998 21.432 1.00 10.00 H new ATOM 0 HG22 THR A 71 -8.141 3.215 21.312 1.00 10.00 H new ATOM 0 HG23 THR A 71 -7.426 2.527 19.835 1.00 10.00 H new ATOM 732 N THR A 72 -8.308 6.947 20.353 1.00 10.00 N ATOM 733 CA THR A 72 -9.079 7.934 21.101 1.00 10.00 C ATOM 734 C THR A 72 -10.488 8.066 20.516 1.00 10.00 C ATOM 735 O THR A 72 -11.071 9.151 20.471 1.00 10.00 O ATOM 736 CB THR A 72 -8.348 9.302 21.097 1.00 10.00 C ATOM 737 OG1 THR A 72 -9.050 10.275 21.887 1.00 10.00 O ATOM 738 CG2 THR A 72 -8.156 9.827 19.679 1.00 10.00 C ATOM 0 H THR A 72 -8.484 6.949 19.348 1.00 10.00 H new ATOM 0 HA THR A 72 -9.171 7.598 22.134 1.00 10.00 H new ATOM 0 HB THR A 72 -7.366 9.137 21.542 1.00 10.00 H new ATOM 0 HG1 THR A 72 -10.005 10.248 21.667 1.00 10.00 H new ATOM 0 HG21 THR A 72 -7.641 10.787 19.713 1.00 10.00 H new ATOM 0 HG22 THR A 72 -7.561 9.116 19.105 1.00 10.00 H new ATOM 0 HG23 THR A 72 -9.128 9.954 19.203 1.00 10.00 H new ATOM 741 N SER A 73 -11.029 6.945 20.076 1.00 10.00 N ATOM 742 CA SER A 73 -12.356 6.904 19.485 1.00 10.00 C ATOM 743 C SER A 73 -13.447 7.084 20.545 1.00 10.00 C ATOM 744 O SER A 73 -14.251 8.034 20.422 1.00 10.00 O ATOM 745 CB SER A 73 -12.532 5.573 18.755 1.00 10.00 C ATOM 746 OG SER A 73 -11.396 4.742 18.961 1.00 10.00 O ATOM 747 OXT SER A 73 -13.485 6.283 21.503 1.00 10.00 O ATOM 0 H SER A 73 -10.563 6.039 20.118 1.00 10.00 H new ATOM 0 HA SER A 73 -12.453 7.729 18.779 1.00 10.00 H new ATOM 0 HB2 SER A 73 -13.429 5.069 19.115 1.00 10.00 H new ATOM 0 HB3 SER A 73 -12.672 5.751 17.689 1.00 10.00 H new ATOM 0 HG SER A 73 -11.523 3.892 18.490 1.00 10.00 H new