USER MOD reduce.3.24.130724 H: found=0, std=0, add=422, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 423 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 71 ASN : amide:sc= 0.562 K(o=0.45,f=-7.9!) USER MOD Set 1.2: A 74 CYS SG : rot 38:sc= 0.47 USER MOD Set 1.3: A 86 ASN : amide:sc= -0.579 K(o=0.45,f=-4!) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot -44:sc= 0.574 USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 THR OG1 : rot 180:sc= -0.601 USER MOD Single : A 75 GLN : amide:sc= 0 X(o=0,f=-0.15) USER MOD Single : A 78 TYR OH : rot 180:sc= 0 USER MOD Single : A 81 LYS NZ :NH3+ -123:sc= 0.0462 (180deg=0) USER MOD Single : A 89 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 GLN : amide:sc= -0.224 X(o=-0.22,f=-0.012) USER MOD Single : A 92 ASN : amide:sc= -0.432 K(o=-0.43,f=-1.4) USER MOD Single : A 93 GLN : amide:sc= -1.14 K(o=-1.1,f=-3.6!) USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 98 TYR OH : rot 180:sc= 0 USER MOD Single : A 102 SER OG : rot 180:sc= -0.0926 USER MOD Single : A 105 ASN : amide:sc= -0.0673 K(o=-0.067,f=-3.1!) USER MOD Single : A 106 GLN : amide:sc= -1.16 K(o=-1.2,f=-4.5!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 50 16.275 -4.395 -4.192 1.00 0.00 N ATOM 2 CA GLY A 50 16.286 -2.987 -4.544 1.00 0.00 C ATOM 3 C GLY A 50 15.341 -2.667 -5.685 1.00 0.00 C ATOM 4 O GLY A 50 14.126 -2.602 -5.494 1.00 0.00 O ATOM 0 HA2 GLY A 50 16.010 -2.395 -3.671 1.00 0.00 H new ATOM 0 HA3 GLY A 50 17.298 -2.693 -4.821 1.00 0.00 H new ATOM 8 N SER A 51 15.898 -2.465 -6.875 1.00 0.00 N ATOM 9 CA SER A 51 15.097 -2.145 -8.050 1.00 0.00 C ATOM 10 C SER A 51 13.827 -2.990 -8.088 1.00 0.00 C ATOM 11 O SER A 51 13.834 -4.159 -7.705 1.00 0.00 O ATOM 12 CB SER A 51 15.911 -2.370 -9.325 1.00 0.00 C ATOM 13 OG SER A 51 15.350 -1.666 -10.420 1.00 0.00 O ATOM 0 H SER A 51 16.901 -2.517 -7.050 1.00 0.00 H new ATOM 0 HA SER A 51 14.812 -1.095 -7.990 1.00 0.00 H new ATOM 0 HB2 SER A 51 16.939 -2.043 -9.166 1.00 0.00 H new ATOM 0 HB3 SER A 51 15.947 -3.435 -9.554 1.00 0.00 H new ATOM 0 HG SER A 51 15.890 -1.825 -11.222 1.00 0.00 H new ATOM 19 N SER A 52 12.737 -2.388 -8.554 1.00 0.00 N ATOM 20 CA SER A 52 11.458 -3.082 -8.639 1.00 0.00 C ATOM 21 C SER A 52 11.639 -4.487 -9.207 1.00 0.00 C ATOM 22 O SER A 52 12.404 -4.695 -10.148 1.00 0.00 O ATOM 23 CB SER A 52 10.481 -2.290 -9.510 1.00 0.00 C ATOM 24 OG SER A 52 10.367 -0.951 -9.061 1.00 0.00 O ATOM 0 H SER A 52 12.715 -1.421 -8.878 1.00 0.00 H new ATOM 0 HA SER A 52 11.050 -3.166 -7.632 1.00 0.00 H new ATOM 0 HB2 SER A 52 10.821 -2.302 -10.546 1.00 0.00 H new ATOM 0 HB3 SER A 52 9.502 -2.768 -9.490 1.00 0.00 H new ATOM 0 HG SER A 52 9.738 -0.466 -9.635 1.00 0.00 H new ATOM 30 N GLY A 53 10.928 -5.449 -8.626 1.00 0.00 N ATOM 31 CA GLY A 53 11.024 -6.822 -9.086 1.00 0.00 C ATOM 32 C GLY A 53 11.630 -7.742 -8.044 1.00 0.00 C ATOM 33 O GLY A 53 10.911 -8.358 -7.257 1.00 0.00 O ATOM 0 H GLY A 53 10.288 -5.302 -7.846 1.00 0.00 H new ATOM 0 HA2 GLY A 53 10.030 -7.183 -9.351 1.00 0.00 H new ATOM 0 HA3 GLY A 53 11.628 -6.857 -9.992 1.00 0.00 H new ATOM 37 N SER A 54 12.955 -7.836 -8.039 1.00 0.00 N ATOM 38 CA SER A 54 13.658 -8.691 -7.090 1.00 0.00 C ATOM 39 C SER A 54 13.536 -8.143 -5.671 1.00 0.00 C ATOM 40 O SER A 54 13.754 -6.955 -5.432 1.00 0.00 O ATOM 41 CB SER A 54 15.133 -8.815 -7.476 1.00 0.00 C ATOM 42 OG SER A 54 15.309 -9.755 -8.522 1.00 0.00 O ATOM 0 H SER A 54 13.564 -7.330 -8.682 1.00 0.00 H new ATOM 0 HA SER A 54 13.198 -9.679 -7.120 1.00 0.00 H new ATOM 0 HB2 SER A 54 15.513 -7.843 -7.789 1.00 0.00 H new ATOM 0 HB3 SER A 54 15.715 -9.120 -6.607 1.00 0.00 H new ATOM 0 HG SER A 54 16.260 -9.815 -8.752 1.00 0.00 H new ATOM 48 N SER A 55 13.187 -9.017 -4.733 1.00 0.00 N ATOM 49 CA SER A 55 13.032 -8.621 -3.338 1.00 0.00 C ATOM 50 C SER A 55 11.926 -7.581 -3.188 1.00 0.00 C ATOM 51 O SER A 55 12.078 -6.596 -2.468 1.00 0.00 O ATOM 52 CB SER A 55 14.349 -8.063 -2.795 1.00 0.00 C ATOM 53 OG SER A 55 14.252 -7.783 -1.410 1.00 0.00 O ATOM 0 H SER A 55 13.006 -10.004 -4.913 1.00 0.00 H new ATOM 0 HA SER A 55 12.756 -9.505 -2.764 1.00 0.00 H new ATOM 0 HB2 SER A 55 15.151 -8.781 -2.969 1.00 0.00 H new ATOM 0 HB3 SER A 55 14.613 -7.154 -3.335 1.00 0.00 H new ATOM 0 HG SER A 55 13.400 -7.336 -1.226 1.00 0.00 H new ATOM 59 N GLY A 56 10.810 -7.809 -3.875 1.00 0.00 N ATOM 60 CA GLY A 56 9.694 -6.884 -3.806 1.00 0.00 C ATOM 61 C GLY A 56 8.372 -7.545 -4.142 1.00 0.00 C ATOM 62 O GLY A 56 8.095 -7.837 -5.305 1.00 0.00 O ATOM 0 H GLY A 56 10.659 -8.618 -4.478 1.00 0.00 H new ATOM 0 HA2 GLY A 56 9.640 -6.459 -2.804 1.00 0.00 H new ATOM 0 HA3 GLY A 56 9.868 -6.057 -4.494 1.00 0.00 H new ATOM 66 N GLU A 57 7.555 -7.783 -3.120 1.00 0.00 N ATOM 67 CA GLU A 57 6.256 -8.417 -3.314 1.00 0.00 C ATOM 68 C GLU A 57 5.174 -7.372 -3.571 1.00 0.00 C ATOM 69 O GLU A 57 5.274 -6.221 -3.147 1.00 0.00 O ATOM 70 CB GLU A 57 5.887 -9.258 -2.090 1.00 0.00 C ATOM 71 CG GLU A 57 6.858 -10.394 -1.816 1.00 0.00 C ATOM 72 CD GLU A 57 6.363 -11.339 -0.739 1.00 0.00 C ATOM 73 OE1 GLU A 57 6.321 -10.925 0.439 1.00 0.00 O ATOM 74 OE2 GLU A 57 6.017 -12.491 -1.072 1.00 0.00 O ATOM 0 H GLU A 57 7.769 -7.547 -2.151 1.00 0.00 H new ATOM 0 HA GLU A 57 6.324 -9.067 -4.186 1.00 0.00 H new ATOM 0 HB2 GLU A 57 5.843 -8.610 -1.215 1.00 0.00 H new ATOM 0 HB3 GLU A 57 4.888 -9.671 -2.231 1.00 0.00 H new ATOM 0 HG2 GLU A 57 7.025 -10.954 -2.736 1.00 0.00 H new ATOM 0 HG3 GLU A 57 7.820 -9.980 -1.516 1.00 0.00 H new ATOM 81 N PRO A 58 4.115 -7.782 -4.285 1.00 0.00 N ATOM 82 CA PRO A 58 2.993 -6.897 -4.616 1.00 0.00 C ATOM 83 C PRO A 58 2.156 -6.540 -3.392 1.00 0.00 C ATOM 84 O PRO A 58 1.778 -7.413 -2.611 1.00 0.00 O ATOM 85 CB PRO A 58 2.169 -7.724 -5.605 1.00 0.00 C ATOM 86 CG PRO A 58 2.497 -9.141 -5.280 1.00 0.00 C ATOM 87 CD PRO A 58 3.929 -9.140 -4.822 1.00 0.00 C ATOM 0 HA PRO A 58 3.332 -5.942 -5.017 1.00 0.00 H new ATOM 0 HB2 PRO A 58 1.103 -7.529 -5.492 1.00 0.00 H new ATOM 0 HB3 PRO A 58 2.430 -7.484 -6.636 1.00 0.00 H new ATOM 0 HG2 PRO A 58 1.838 -9.525 -4.501 1.00 0.00 H new ATOM 0 HG3 PRO A 58 2.367 -9.782 -6.152 1.00 0.00 H new ATOM 0 HD2 PRO A 58 4.108 -9.901 -4.062 1.00 0.00 H new ATOM 0 HD3 PRO A 58 4.614 -9.344 -5.645 1.00 0.00 H new ATOM 95 N VAL A 59 1.869 -5.252 -3.233 1.00 0.00 N ATOM 96 CA VAL A 59 1.074 -4.780 -2.105 1.00 0.00 C ATOM 97 C VAL A 59 -0.413 -5.013 -2.345 1.00 0.00 C ATOM 98 O VAL A 59 -1.082 -4.210 -2.997 1.00 0.00 O ATOM 99 CB VAL A 59 1.311 -3.282 -1.839 1.00 0.00 C ATOM 100 CG1 VAL A 59 0.436 -2.797 -0.694 1.00 0.00 C ATOM 101 CG2 VAL A 59 2.781 -3.019 -1.546 1.00 0.00 C ATOM 0 H VAL A 59 2.175 -4.517 -3.871 1.00 0.00 H new ATOM 0 HA VAL A 59 1.392 -5.351 -1.233 1.00 0.00 H new ATOM 0 HB VAL A 59 1.037 -2.724 -2.735 1.00 0.00 H new ATOM 0 HG11 VAL A 59 0.618 -1.736 -0.521 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -0.613 -2.949 -0.948 1.00 0.00 H new ATOM 0 HG13 VAL A 59 0.675 -3.358 0.209 1.00 0.00 H new ATOM 0 HG21 VAL A 59 2.930 -1.955 -1.360 1.00 0.00 H new ATOM 0 HG22 VAL A 59 3.084 -3.587 -0.666 1.00 0.00 H new ATOM 0 HG23 VAL A 59 3.383 -3.326 -2.401 1.00 0.00 H new ATOM 111 N LEU A 60 -0.927 -6.117 -1.814 1.00 0.00 N ATOM 112 CA LEU A 60 -2.337 -6.457 -1.969 1.00 0.00 C ATOM 113 C LEU A 60 -3.159 -5.919 -0.802 1.00 0.00 C ATOM 114 O LEU A 60 -2.750 -6.015 0.355 1.00 0.00 O ATOM 115 CB LEU A 60 -2.508 -7.973 -2.072 1.00 0.00 C ATOM 116 CG LEU A 60 -1.874 -8.639 -3.294 1.00 0.00 C ATOM 117 CD1 LEU A 60 -1.919 -10.154 -3.160 1.00 0.00 C ATOM 118 CD2 LEU A 60 -2.575 -8.193 -4.569 1.00 0.00 C ATOM 0 H LEU A 60 -0.388 -6.792 -1.272 1.00 0.00 H new ATOM 0 HA LEU A 60 -2.698 -5.994 -2.887 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -2.086 -8.428 -1.176 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -3.574 -8.199 -2.072 1.00 0.00 H new ATOM 0 HG LEU A 60 -0.830 -8.331 -3.351 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -1.463 -10.611 -4.039 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -1.370 -10.457 -2.268 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -2.955 -10.481 -3.077 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -2.110 -8.677 -5.428 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -3.628 -8.471 -4.522 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -2.489 -7.111 -4.672 1.00 0.00 H new ATOM 130 N CYS A 61 -4.320 -5.354 -1.114 1.00 0.00 N ATOM 131 CA CYS A 61 -5.202 -4.802 -0.092 1.00 0.00 C ATOM 132 C CYS A 61 -5.361 -5.776 1.072 1.00 0.00 C ATOM 133 O CYS A 61 -5.505 -6.981 0.872 1.00 0.00 O ATOM 134 CB CYS A 61 -6.572 -4.478 -0.691 1.00 0.00 C ATOM 135 SG CYS A 61 -7.518 -3.236 0.247 1.00 0.00 S ATOM 0 H CYS A 61 -4.673 -5.266 -2.067 1.00 0.00 H new ATOM 0 HA CYS A 61 -4.751 -3.883 0.284 1.00 0.00 H new ATOM 0 HB2 CYS A 61 -6.435 -4.120 -1.712 1.00 0.00 H new ATOM 0 HB3 CYS A 61 -7.157 -5.396 -0.751 1.00 0.00 H new ATOM 140 N SER A 62 -5.333 -5.243 2.290 1.00 0.00 N ATOM 141 CA SER A 62 -5.470 -6.064 3.487 1.00 0.00 C ATOM 142 C SER A 62 -6.676 -6.992 3.374 1.00 0.00 C ATOM 143 O SER A 62 -6.535 -8.215 3.389 1.00 0.00 O ATOM 144 CB SER A 62 -5.610 -5.177 4.726 1.00 0.00 C ATOM 145 OG SER A 62 -5.804 -5.958 5.893 1.00 0.00 O ATOM 0 H SER A 62 -5.217 -4.246 2.473 1.00 0.00 H new ATOM 0 HA SER A 62 -4.572 -6.674 3.584 1.00 0.00 H new ATOM 0 HB2 SER A 62 -4.717 -4.563 4.840 1.00 0.00 H new ATOM 0 HB3 SER A 62 -6.451 -4.496 4.596 1.00 0.00 H new ATOM 0 HG SER A 62 -5.889 -5.368 6.671 1.00 0.00 H new ATOM 151 N ARG A 63 -7.861 -6.401 3.260 1.00 0.00 N ATOM 152 CA ARG A 63 -9.092 -7.174 3.146 1.00 0.00 C ATOM 153 C ARG A 63 -8.922 -8.323 2.156 1.00 0.00 C ATOM 154 O ARG A 63 -8.445 -8.129 1.038 1.00 0.00 O ATOM 155 CB ARG A 63 -10.246 -6.273 2.703 1.00 0.00 C ATOM 156 CG ARG A 63 -11.619 -6.835 3.032 1.00 0.00 C ATOM 157 CD ARG A 63 -12.702 -5.777 2.895 1.00 0.00 C ATOM 158 NE ARG A 63 -13.192 -5.670 1.524 1.00 0.00 N ATOM 159 CZ ARG A 63 -14.387 -5.184 1.206 1.00 0.00 C ATOM 160 NH1 ARG A 63 -15.209 -4.762 2.157 1.00 0.00 N ATOM 161 NH2 ARG A 63 -14.762 -5.118 -0.065 1.00 0.00 N ATOM 0 H ARG A 63 -7.995 -5.390 3.244 1.00 0.00 H new ATOM 0 HA ARG A 63 -9.321 -7.592 4.126 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -10.138 -5.298 3.179 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -10.177 -6.111 1.627 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -11.840 -7.671 2.368 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -11.619 -7.227 4.049 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -13.532 -6.020 3.559 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -12.309 -4.812 3.216 1.00 0.00 H new ATOM 0 HE ARG A 63 -12.584 -5.986 0.769 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -14.924 -4.810 3.135 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -16.126 -4.389 1.910 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -14.133 -5.441 -0.800 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -15.680 -4.745 -0.307 1.00 0.00 H new ATOM 175 N THR A 64 -9.316 -9.522 2.576 1.00 0.00 N ATOM 176 CA THR A 64 -9.206 -10.702 1.728 1.00 0.00 C ATOM 177 C THR A 64 -10.157 -10.617 0.540 1.00 0.00 C ATOM 178 O THR A 64 -9.784 -10.929 -0.592 1.00 0.00 O ATOM 179 CB THR A 64 -9.505 -11.991 2.518 1.00 0.00 C ATOM 180 OG1 THR A 64 -9.393 -13.130 1.658 1.00 0.00 O ATOM 181 CG2 THR A 64 -10.899 -11.942 3.125 1.00 0.00 C ATOM 0 H THR A 64 -9.714 -9.701 3.498 1.00 0.00 H new ATOM 0 HA THR A 64 -8.179 -10.735 1.366 1.00 0.00 H new ATOM 0 HB THR A 64 -8.777 -12.073 3.325 1.00 0.00 H new ATOM 0 HG1 THR A 64 -9.583 -13.945 2.168 1.00 0.00 H new ATOM 0 HG21 THR A 64 -11.088 -12.862 3.678 1.00 0.00 H new ATOM 0 HG22 THR A 64 -10.971 -11.091 3.802 1.00 0.00 H new ATOM 0 HG23 THR A 64 -11.638 -11.838 2.331 1.00 0.00 H new ATOM 189 N THR A 65 -11.389 -10.191 0.803 1.00 0.00 N ATOM 190 CA THR A 65 -12.393 -10.064 -0.245 1.00 0.00 C ATOM 191 C THR A 65 -11.963 -9.051 -1.300 1.00 0.00 C ATOM 192 O THR A 65 -12.413 -9.103 -2.445 1.00 0.00 O ATOM 193 CB THR A 65 -13.757 -9.639 0.332 1.00 0.00 C ATOM 194 OG1 THR A 65 -13.643 -8.360 0.966 1.00 0.00 O ATOM 195 CG2 THR A 65 -14.263 -10.665 1.335 1.00 0.00 C ATOM 0 H THR A 65 -11.715 -9.928 1.733 1.00 0.00 H new ATOM 0 HA THR A 65 -12.492 -11.046 -0.708 1.00 0.00 H new ATOM 0 HB THR A 65 -14.471 -9.575 -0.489 1.00 0.00 H new ATOM 0 HG1 THR A 65 -14.514 -8.096 1.329 1.00 0.00 H new ATOM 0 HG21 THR A 65 -15.227 -10.344 1.729 1.00 0.00 H new ATOM 0 HG22 THR A 65 -14.376 -11.631 0.842 1.00 0.00 H new ATOM 0 HG23 THR A 65 -13.549 -10.757 2.153 1.00 0.00 H new ATOM 203 N CYS A 66 -11.089 -8.130 -0.908 1.00 0.00 N ATOM 204 CA CYS A 66 -10.597 -7.105 -1.819 1.00 0.00 C ATOM 205 C CYS A 66 -9.325 -7.568 -2.524 1.00 0.00 C ATOM 206 O CYS A 66 -9.317 -7.781 -3.736 1.00 0.00 O ATOM 207 CB CYS A 66 -10.327 -5.804 -1.060 1.00 0.00 C ATOM 208 SG CYS A 66 -10.296 -4.320 -2.115 1.00 0.00 S ATOM 0 H CYS A 66 -10.707 -8.073 0.036 1.00 0.00 H new ATOM 0 HA CYS A 66 -11.365 -6.926 -2.572 1.00 0.00 H new ATOM 0 HB2 CYS A 66 -11.093 -5.677 -0.295 1.00 0.00 H new ATOM 0 HB3 CYS A 66 -9.371 -5.889 -0.543 1.00 0.00 H new ATOM 213 N ARG A 67 -8.252 -7.721 -1.755 1.00 0.00 N ATOM 214 CA ARG A 67 -6.974 -8.158 -2.305 1.00 0.00 C ATOM 215 C ARG A 67 -6.690 -7.467 -3.635 1.00 0.00 C ATOM 216 O ARG A 67 -6.172 -8.081 -4.567 1.00 0.00 O ATOM 217 CB ARG A 67 -6.969 -9.676 -2.496 1.00 0.00 C ATOM 218 CG ARG A 67 -7.144 -10.453 -1.202 1.00 0.00 C ATOM 219 CD ARG A 67 -5.821 -10.628 -0.474 1.00 0.00 C ATOM 220 NE ARG A 67 -4.896 -11.482 -1.215 1.00 0.00 N ATOM 221 CZ ARG A 67 -3.907 -12.161 -0.646 1.00 0.00 C ATOM 222 NH1 ARG A 67 -3.715 -12.087 0.664 1.00 0.00 N ATOM 223 NH2 ARG A 67 -3.107 -12.917 -1.388 1.00 0.00 N ATOM 0 H ARG A 67 -8.242 -7.549 -0.750 1.00 0.00 H new ATOM 0 HA ARG A 67 -6.190 -7.885 -1.598 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -7.768 -9.950 -3.185 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -6.030 -9.972 -2.963 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -7.850 -9.931 -0.556 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -7.573 -11.431 -1.419 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -5.364 -9.652 -0.314 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -6.003 -11.060 0.510 1.00 0.00 H new ATOM 0 HE ARG A 67 -5.016 -11.561 -2.225 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -4.328 -11.507 1.237 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -2.954 -12.610 1.098 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -3.252 -12.977 -2.396 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -2.347 -13.438 -0.950 1.00 0.00 H new ATOM 237 N ALA A 68 -7.032 -6.185 -3.715 1.00 0.00 N ATOM 238 CA ALA A 68 -6.813 -5.409 -4.929 1.00 0.00 C ATOM 239 C ALA A 68 -5.430 -4.766 -4.927 1.00 0.00 C ATOM 240 O ALA A 68 -5.054 -4.084 -3.975 1.00 0.00 O ATOM 241 CB ALA A 68 -7.891 -4.347 -5.079 1.00 0.00 C ATOM 0 H ALA A 68 -7.462 -5.662 -2.952 1.00 0.00 H new ATOM 0 HA ALA A 68 -6.868 -6.088 -5.780 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -7.714 -3.775 -5.990 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -8.868 -4.826 -5.135 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -7.864 -3.677 -4.219 1.00 0.00 H new ATOM 247 N ALA A 69 -4.677 -4.989 -6.000 1.00 0.00 N ATOM 248 CA ALA A 69 -3.337 -4.430 -6.122 1.00 0.00 C ATOM 249 C ALA A 69 -3.367 -2.908 -6.039 1.00 0.00 C ATOM 250 O ALA A 69 -4.389 -2.281 -6.321 1.00 0.00 O ATOM 251 CB ALA A 69 -2.696 -4.877 -7.427 1.00 0.00 C ATOM 0 H ALA A 69 -4.973 -5.553 -6.797 1.00 0.00 H new ATOM 0 HA ALA A 69 -2.738 -4.801 -5.290 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -1.695 -4.452 -7.505 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -2.631 -5.965 -7.446 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -3.302 -4.535 -8.266 1.00 0.00 H new ATOM 257 N LEU A 70 -2.242 -2.319 -5.651 1.00 0.00 N ATOM 258 CA LEU A 70 -2.140 -0.868 -5.530 1.00 0.00 C ATOM 259 C LEU A 70 -2.320 -0.195 -6.887 1.00 0.00 C ATOM 260 O LEU A 70 -1.656 -0.550 -7.860 1.00 0.00 O ATOM 261 CB LEU A 70 -0.787 -0.481 -4.931 1.00 0.00 C ATOM 262 CG LEU A 70 -0.658 0.962 -4.441 1.00 0.00 C ATOM 263 CD1 LEU A 70 -1.693 1.254 -3.366 1.00 0.00 C ATOM 264 CD2 LEU A 70 0.747 1.224 -3.917 1.00 0.00 C ATOM 0 H LEU A 70 -1.387 -2.823 -5.415 1.00 0.00 H new ATOM 0 HA LEU A 70 -2.935 -0.526 -4.867 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -0.579 -1.148 -4.094 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -0.016 -0.659 -5.680 1.00 0.00 H new ATOM 0 HG LEU A 70 -0.840 1.630 -5.283 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -1.587 2.285 -3.029 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -2.693 1.107 -3.774 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -1.542 0.579 -2.523 1.00 0.00 H new ATOM 0 HD21 LEU A 70 0.820 2.256 -3.573 1.00 0.00 H new ATOM 0 HD22 LEU A 70 0.958 0.549 -3.088 1.00 0.00 H new ATOM 0 HD23 LEU A 70 1.470 1.056 -4.715 1.00 0.00 H new ATOM 276 N ASN A 71 -3.221 0.780 -6.943 1.00 0.00 N ATOM 277 CA ASN A 71 -3.487 1.505 -8.180 1.00 0.00 C ATOM 278 C ASN A 71 -3.335 3.009 -7.974 1.00 0.00 C ATOM 279 O ASN A 71 -3.441 3.521 -6.859 1.00 0.00 O ATOM 280 CB ASN A 71 -4.896 1.189 -8.688 1.00 0.00 C ATOM 281 CG ASN A 71 -5.912 1.113 -7.564 1.00 0.00 C ATOM 282 OD1 ASN A 71 -6.567 2.103 -7.238 1.00 0.00 O ATOM 283 ND2 ASN A 71 -6.047 -0.065 -6.967 1.00 0.00 N ATOM 0 H ASN A 71 -3.779 1.086 -6.146 1.00 0.00 H new ATOM 0 HA ASN A 71 -2.758 1.183 -8.924 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -5.203 1.955 -9.400 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -4.881 0.241 -9.226 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -6.715 -0.177 -6.204 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -5.483 -0.858 -7.271 1.00 0.00 H new ATOM 290 N PRO A 72 -3.080 3.734 -9.073 1.00 0.00 N ATOM 291 CA PRO A 72 -2.908 5.189 -9.038 1.00 0.00 C ATOM 292 C PRO A 72 -4.213 5.920 -8.739 1.00 0.00 C ATOM 293 O PRO A 72 -4.251 7.151 -8.696 1.00 0.00 O ATOM 294 CB PRO A 72 -2.420 5.522 -10.450 1.00 0.00 C ATOM 295 CG PRO A 72 -2.941 4.417 -11.302 1.00 0.00 C ATOM 296 CD PRO A 72 -2.940 3.189 -10.433 1.00 0.00 C ATOM 0 HA PRO A 72 -2.222 5.500 -8.250 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -2.798 6.489 -10.781 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -1.332 5.574 -10.491 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -3.946 4.641 -11.660 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -2.314 4.273 -12.182 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -3.762 2.518 -10.684 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -2.018 2.619 -10.544 1.00 0.00 H new ATOM 304 N LEU A 73 -5.280 5.156 -8.534 1.00 0.00 N ATOM 305 CA LEU A 73 -6.587 5.731 -8.239 1.00 0.00 C ATOM 306 C LEU A 73 -6.774 5.915 -6.736 1.00 0.00 C ATOM 307 O LEU A 73 -7.267 6.949 -6.284 1.00 0.00 O ATOM 308 CB LEU A 73 -7.697 4.838 -8.797 1.00 0.00 C ATOM 309 CG LEU A 73 -7.702 4.642 -10.313 1.00 0.00 C ATOM 310 CD1 LEU A 73 -8.332 3.306 -10.676 1.00 0.00 C ATOM 311 CD2 LEU A 73 -8.438 5.785 -10.997 1.00 0.00 C ATOM 0 H LEU A 73 -5.266 4.137 -8.567 1.00 0.00 H new ATOM 0 HA LEU A 73 -6.642 6.709 -8.716 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -7.620 3.859 -8.324 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -8.658 5.260 -8.502 1.00 0.00 H new ATOM 0 HG LEU A 73 -6.670 4.641 -10.663 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -8.327 3.184 -11.759 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -7.762 2.498 -10.217 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -9.359 3.277 -10.312 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -8.431 5.628 -12.076 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -9.468 5.819 -10.642 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -7.943 6.728 -10.764 1.00 0.00 H new ATOM 323 N CYS A 74 -6.376 4.907 -5.968 1.00 0.00 N ATOM 324 CA CYS A 74 -6.498 4.958 -4.515 1.00 0.00 C ATOM 325 C CYS A 74 -5.903 6.250 -3.965 1.00 0.00 C ATOM 326 O CYS A 74 -5.103 6.908 -4.630 1.00 0.00 O ATOM 327 CB CYS A 74 -5.804 3.752 -3.882 1.00 0.00 C ATOM 328 SG CYS A 74 -6.442 2.155 -4.442 1.00 0.00 S ATOM 0 H CYS A 74 -5.966 4.045 -6.327 1.00 0.00 H new ATOM 0 HA CYS A 74 -7.558 4.931 -4.262 1.00 0.00 H new ATOM 0 HB2 CYS A 74 -4.738 3.803 -4.103 1.00 0.00 H new ATOM 0 HB3 CYS A 74 -5.909 3.813 -2.799 1.00 0.00 H new ATOM 0 HG CYS A 74 -6.718 2.219 -5.711 1.00 0.00 H new ATOM 334 N GLN A 75 -6.300 6.607 -2.748 1.00 0.00 N ATOM 335 CA GLN A 75 -5.807 7.822 -2.109 1.00 0.00 C ATOM 336 C GLN A 75 -4.689 7.502 -1.122 1.00 0.00 C ATOM 337 O GLN A 75 -4.938 6.986 -0.032 1.00 0.00 O ATOM 338 CB GLN A 75 -6.947 8.544 -1.391 1.00 0.00 C ATOM 339 CG GLN A 75 -7.724 9.497 -2.286 1.00 0.00 C ATOM 340 CD GLN A 75 -7.009 10.817 -2.492 1.00 0.00 C ATOM 341 OE1 GLN A 75 -6.627 11.486 -1.531 1.00 0.00 O ATOM 342 NE2 GLN A 75 -6.824 11.201 -3.750 1.00 0.00 N ATOM 0 H GLN A 75 -6.961 6.073 -2.185 1.00 0.00 H new ATOM 0 HA GLN A 75 -5.406 8.474 -2.885 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -7.633 7.803 -0.981 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -6.539 9.102 -0.548 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -7.893 9.025 -3.254 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -8.704 9.684 -1.847 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -7.157 10.616 -4.516 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -6.349 12.081 -3.950 1.00 0.00 H new ATOM 351 N VAL A 76 -3.456 7.812 -1.511 1.00 0.00 N ATOM 352 CA VAL A 76 -2.300 7.559 -0.659 1.00 0.00 C ATOM 353 C VAL A 76 -1.937 8.795 0.156 1.00 0.00 C ATOM 354 O VAL A 76 -2.045 9.923 -0.325 1.00 0.00 O ATOM 355 CB VAL A 76 -1.076 7.127 -1.489 1.00 0.00 C ATOM 356 CG1 VAL A 76 0.137 6.936 -0.592 1.00 0.00 C ATOM 357 CG2 VAL A 76 -1.381 5.855 -2.265 1.00 0.00 C ATOM 0 H VAL A 76 -3.232 8.238 -2.410 1.00 0.00 H new ATOM 0 HA VAL A 76 -2.576 6.750 0.017 1.00 0.00 H new ATOM 0 HB VAL A 76 -0.847 7.916 -2.205 1.00 0.00 H new ATOM 0 HG11 VAL A 76 0.992 6.631 -1.196 1.00 0.00 H new ATOM 0 HG12 VAL A 76 0.366 7.874 -0.086 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -0.076 6.166 0.150 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -0.506 5.564 -2.846 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -1.636 5.056 -1.569 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -2.220 6.032 -2.938 1.00 0.00 H new ATOM 367 N ASP A 77 -1.505 8.575 1.393 1.00 0.00 N ATOM 368 CA ASP A 77 -1.124 9.671 2.276 1.00 0.00 C ATOM 369 C ASP A 77 0.263 9.436 2.867 1.00 0.00 C ATOM 370 O ASP A 77 0.467 8.504 3.646 1.00 0.00 O ATOM 371 CB ASP A 77 -2.150 9.830 3.399 1.00 0.00 C ATOM 372 CG ASP A 77 -2.139 11.221 4.001 1.00 0.00 C ATOM 373 OD1 ASP A 77 -1.669 12.158 3.322 1.00 0.00 O ATOM 374 OD2 ASP A 77 -2.601 11.373 5.151 1.00 0.00 O ATOM 0 H ASP A 77 -1.410 7.648 1.807 1.00 0.00 H new ATOM 0 HA ASP A 77 -1.098 10.587 1.686 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -3.145 9.613 3.011 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -1.946 9.098 4.180 1.00 0.00 H new ATOM 379 N TYR A 78 1.212 10.285 2.490 1.00 0.00 N ATOM 380 CA TYR A 78 2.581 10.167 2.980 1.00 0.00 C ATOM 381 C TYR A 78 2.696 10.692 4.408 1.00 0.00 C ATOM 382 O TYR A 78 3.341 10.078 5.257 1.00 0.00 O ATOM 383 CB TYR A 78 3.540 10.931 2.065 1.00 0.00 C ATOM 384 CG TYR A 78 3.205 10.804 0.596 1.00 0.00 C ATOM 385 CD1 TYR A 78 3.085 9.557 -0.004 1.00 0.00 C ATOM 386 CD2 TYR A 78 3.007 11.931 -0.191 1.00 0.00 C ATOM 387 CE1 TYR A 78 2.780 9.436 -1.346 1.00 0.00 C ATOM 388 CE2 TYR A 78 2.700 11.820 -1.534 1.00 0.00 C ATOM 389 CZ TYR A 78 2.589 10.571 -2.107 1.00 0.00 C ATOM 390 OH TYR A 78 2.283 10.455 -3.443 1.00 0.00 O ATOM 0 H TYR A 78 1.059 11.062 1.847 1.00 0.00 H new ATOM 0 HA TYR A 78 2.851 9.111 2.978 1.00 0.00 H new ATOM 0 HB2 TYR A 78 3.530 11.985 2.342 1.00 0.00 H new ATOM 0 HB3 TYR A 78 4.554 10.567 2.231 1.00 0.00 H new ATOM 0 HD1 TYR A 78 3.233 8.666 0.589 1.00 0.00 H new ATOM 0 HD2 TYR A 78 3.094 12.911 0.254 1.00 0.00 H new ATOM 0 HE1 TYR A 78 2.692 8.459 -1.797 1.00 0.00 H new ATOM 0 HE2 TYR A 78 2.548 12.707 -2.131 1.00 0.00 H new ATOM 0 HH TYR A 78 2.180 11.348 -3.834 1.00 0.00 H new ATOM 400 N ARG A 79 2.063 11.833 4.664 1.00 0.00 N ATOM 401 CA ARG A 79 2.094 12.443 5.988 1.00 0.00 C ATOM 402 C ARG A 79 1.619 11.457 7.052 1.00 0.00 C ATOM 403 O ARG A 79 2.306 11.222 8.046 1.00 0.00 O ATOM 404 CB ARG A 79 1.221 13.698 6.015 1.00 0.00 C ATOM 405 CG ARG A 79 1.873 14.908 5.365 1.00 0.00 C ATOM 406 CD ARG A 79 2.893 15.555 6.290 1.00 0.00 C ATOM 407 NE ARG A 79 2.256 16.362 7.327 1.00 0.00 N ATOM 408 CZ ARG A 79 2.869 17.351 7.968 1.00 0.00 C ATOM 409 NH1 ARG A 79 4.127 17.654 7.679 1.00 0.00 N ATOM 410 NH2 ARG A 79 2.223 18.041 8.899 1.00 0.00 N ATOM 0 H ARG A 79 1.523 12.353 3.972 1.00 0.00 H new ATOM 0 HA ARG A 79 3.125 12.721 6.209 1.00 0.00 H new ATOM 0 HB2 ARG A 79 0.280 13.487 5.507 1.00 0.00 H new ATOM 0 HB3 ARG A 79 0.978 13.939 7.050 1.00 0.00 H new ATOM 0 HG2 ARG A 79 2.361 14.606 4.438 1.00 0.00 H new ATOM 0 HG3 ARG A 79 1.107 15.637 5.099 1.00 0.00 H new ATOM 0 HD2 ARG A 79 3.502 14.781 6.756 1.00 0.00 H new ATOM 0 HD3 ARG A 79 3.567 16.182 5.705 1.00 0.00 H new ATOM 0 HE ARG A 79 1.288 16.155 7.572 1.00 0.00 H new ATOM 0 HH11 ARG A 79 4.627 17.127 6.963 1.00 0.00 H new ATOM 0 HH12 ARG A 79 4.595 18.414 8.173 1.00 0.00 H new ATOM 0 HH21 ARG A 79 1.255 17.812 9.123 1.00 0.00 H new ATOM 0 HH22 ARG A 79 2.695 18.800 9.390 1.00 0.00 H new ATOM 424 N ALA A 80 0.440 10.883 6.835 1.00 0.00 N ATOM 425 CA ALA A 80 -0.126 9.923 7.774 1.00 0.00 C ATOM 426 C ALA A 80 0.335 8.505 7.453 1.00 0.00 C ATOM 427 O ALA A 80 0.144 7.584 8.247 1.00 0.00 O ATOM 428 CB ALA A 80 -1.645 10.002 7.758 1.00 0.00 C ATOM 0 H ALA A 80 -0.141 11.066 6.017 1.00 0.00 H new ATOM 0 HA ALA A 80 0.229 10.176 8.773 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -2.054 9.279 8.464 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -1.960 11.006 8.042 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -2.010 9.777 6.756 1.00 0.00 H new ATOM 434 N LYS A 81 0.942 8.336 6.283 1.00 0.00 N ATOM 435 CA LYS A 81 1.431 7.030 5.856 1.00 0.00 C ATOM 436 C LYS A 81 0.298 6.009 5.823 1.00 0.00 C ATOM 437 O LYS A 81 0.427 4.906 6.357 1.00 0.00 O ATOM 438 CB LYS A 81 2.540 6.547 6.793 1.00 0.00 C ATOM 439 CG LYS A 81 3.722 7.497 6.877 1.00 0.00 C ATOM 440 CD LYS A 81 4.703 7.269 5.739 1.00 0.00 C ATOM 441 CE LYS A 81 6.125 7.618 6.151 1.00 0.00 C ATOM 442 NZ LYS A 81 6.338 9.090 6.221 1.00 0.00 N ATOM 0 H LYS A 81 1.107 9.087 5.613 1.00 0.00 H new ATOM 0 HA LYS A 81 1.834 7.132 4.848 1.00 0.00 H new ATOM 0 HB2 LYS A 81 2.125 6.407 7.791 1.00 0.00 H new ATOM 0 HB3 LYS A 81 2.891 5.572 6.454 1.00 0.00 H new ATOM 0 HG2 LYS A 81 3.365 8.527 6.850 1.00 0.00 H new ATOM 0 HG3 LYS A 81 4.232 7.361 7.831 1.00 0.00 H new ATOM 0 HD2 LYS A 81 4.660 6.227 5.423 1.00 0.00 H new ATOM 0 HD3 LYS A 81 4.413 7.874 4.880 1.00 0.00 H new ATOM 0 HE2 LYS A 81 6.341 7.173 7.123 1.00 0.00 H new ATOM 0 HE3 LYS A 81 6.826 7.183 5.439 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 7.123 9.357 5.593 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 5.472 9.581 5.921 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 6.569 9.361 7.198 1.00 0.00 H new ATOM 456 N LEU A 82 -0.809 6.382 5.192 1.00 0.00 N ATOM 457 CA LEU A 82 -1.965 5.497 5.087 1.00 0.00 C ATOM 458 C LEU A 82 -2.628 5.628 3.720 1.00 0.00 C ATOM 459 O LEU A 82 -3.003 6.724 3.303 1.00 0.00 O ATOM 460 CB LEU A 82 -2.976 5.814 6.190 1.00 0.00 C ATOM 461 CG LEU A 82 -2.667 5.235 7.571 1.00 0.00 C ATOM 462 CD1 LEU A 82 -3.376 6.032 8.655 1.00 0.00 C ATOM 463 CD2 LEU A 82 -3.067 3.769 7.636 1.00 0.00 C ATOM 0 H LEU A 82 -0.932 7.291 4.745 1.00 0.00 H new ATOM 0 HA LEU A 82 -1.618 4.470 5.205 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -3.055 6.897 6.282 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -3.953 5.448 5.875 1.00 0.00 H new ATOM 0 HG LEU A 82 -1.593 5.306 7.741 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -3.144 5.605 9.631 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -3.040 7.068 8.623 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -4.453 5.994 8.489 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -2.840 3.373 8.626 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -4.136 3.675 7.444 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -2.512 3.207 6.885 1.00 0.00 H new ATOM 475 N TRP A 83 -2.773 4.503 3.029 1.00 0.00 N ATOM 476 CA TRP A 83 -3.394 4.492 1.709 1.00 0.00 C ATOM 477 C TRP A 83 -4.814 3.941 1.780 1.00 0.00 C ATOM 478 O TRP A 83 -5.029 2.807 2.208 1.00 0.00 O ATOM 479 CB TRP A 83 -2.558 3.658 0.737 1.00 0.00 C ATOM 480 CG TRP A 83 -2.560 2.193 1.057 1.00 0.00 C ATOM 481 CD1 TRP A 83 -1.779 1.555 1.977 1.00 0.00 C ATOM 482 CD2 TRP A 83 -3.381 1.186 0.456 1.00 0.00 C ATOM 483 NE1 TRP A 83 -2.065 0.211 1.985 1.00 0.00 N ATOM 484 CE2 TRP A 83 -3.044 -0.041 1.061 1.00 0.00 C ATOM 485 CE3 TRP A 83 -4.368 1.200 -0.533 1.00 0.00 C ATOM 486 CZ2 TRP A 83 -3.660 -1.239 0.708 1.00 0.00 C ATOM 487 CZ3 TRP A 83 -4.978 0.011 -0.883 1.00 0.00 C ATOM 488 CH2 TRP A 83 -4.623 -1.195 -0.263 1.00 0.00 C ATOM 0 H TRP A 83 -2.469 3.587 3.360 1.00 0.00 H new ATOM 0 HA TRP A 83 -3.441 5.519 1.348 1.00 0.00 H new ATOM 0 HB2 TRP A 83 -2.938 3.802 -0.274 1.00 0.00 H new ATOM 0 HB3 TRP A 83 -1.531 4.023 0.746 1.00 0.00 H new ATOM 0 HD1 TRP A 83 -1.044 2.036 2.606 1.00 0.00 H new ATOM 0 HE1 TRP A 83 -1.620 -0.486 2.582 1.00 0.00 H new ATOM 0 HE3 TRP A 83 -4.649 2.124 -1.015 1.00 0.00 H new ATOM 0 HZ2 TRP A 83 -3.387 -2.170 1.184 1.00 0.00 H new ATOM 0 HZ3 TRP A 83 -5.741 0.011 -1.647 1.00 0.00 H new ATOM 0 HH2 TRP A 83 -5.120 -2.108 -0.558 1.00 0.00 H new ATOM 499 N ALA A 84 -5.780 4.751 1.359 1.00 0.00 N ATOM 500 CA ALA A 84 -7.179 4.342 1.373 1.00 0.00 C ATOM 501 C ALA A 84 -7.586 3.729 0.038 1.00 0.00 C ATOM 502 O ALA A 84 -7.346 4.308 -1.022 1.00 0.00 O ATOM 503 CB ALA A 84 -8.072 5.529 1.704 1.00 0.00 C ATOM 0 H ALA A 84 -5.619 5.694 1.004 1.00 0.00 H new ATOM 0 HA ALA A 84 -7.301 3.582 2.144 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -9.114 5.210 1.711 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -7.806 5.922 2.685 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -7.936 6.307 0.953 1.00 0.00 H new ATOM 509 N CYS A 85 -8.202 2.552 0.096 1.00 0.00 N ATOM 510 CA CYS A 85 -8.641 1.859 -1.109 1.00 0.00 C ATOM 511 C CYS A 85 -9.754 2.634 -1.808 1.00 0.00 C ATOM 512 O CYS A 85 -10.490 3.390 -1.175 1.00 0.00 O ATOM 513 CB CYS A 85 -9.126 0.450 -0.763 1.00 0.00 C ATOM 514 SG CYS A 85 -9.107 -0.709 -2.168 1.00 0.00 S ATOM 0 H CYS A 85 -8.408 2.059 0.965 1.00 0.00 H new ATOM 0 HA CYS A 85 -7.791 1.788 -1.787 1.00 0.00 H new ATOM 0 HB2 CYS A 85 -8.501 0.048 0.034 1.00 0.00 H new ATOM 0 HB3 CYS A 85 -10.141 0.513 -0.371 1.00 0.00 H new ATOM 519 N ASN A 86 -9.869 2.441 -3.118 1.00 0.00 N ATOM 520 CA ASN A 86 -10.892 3.122 -3.904 1.00 0.00 C ATOM 521 C ASN A 86 -12.158 2.275 -4.000 1.00 0.00 C ATOM 522 O ASN A 86 -13.246 2.793 -4.254 1.00 0.00 O ATOM 523 CB ASN A 86 -10.364 3.432 -5.306 1.00 0.00 C ATOM 524 CG ASN A 86 -10.087 2.177 -6.110 1.00 0.00 C ATOM 525 OD1 ASN A 86 -9.430 1.252 -5.631 1.00 0.00 O ATOM 526 ND2 ASN A 86 -10.587 2.139 -7.340 1.00 0.00 N ATOM 0 H ASN A 86 -9.267 1.819 -3.658 1.00 0.00 H new ATOM 0 HA ASN A 86 -11.140 4.057 -3.401 1.00 0.00 H new ATOM 0 HB2 ASN A 86 -11.090 4.047 -5.837 1.00 0.00 H new ATOM 0 HB3 ASN A 86 -9.448 4.018 -5.225 1.00 0.00 H new ATOM 0 HD21 ASN A 86 -10.432 1.320 -7.928 1.00 0.00 H new ATOM 0 HD22 ASN A 86 -11.126 2.929 -7.696 1.00 0.00 H new ATOM 533 N PHE A 87 -12.007 0.971 -3.795 1.00 0.00 N ATOM 534 CA PHE A 87 -13.138 0.052 -3.859 1.00 0.00 C ATOM 535 C PHE A 87 -13.687 -0.233 -2.464 1.00 0.00 C ATOM 536 O PHE A 87 -14.741 0.278 -2.083 1.00 0.00 O ATOM 537 CB PHE A 87 -12.721 -1.257 -4.532 1.00 0.00 C ATOM 538 CG PHE A 87 -12.162 -1.070 -5.914 1.00 0.00 C ATOM 539 CD1 PHE A 87 -13.005 -0.866 -6.994 1.00 0.00 C ATOM 540 CD2 PHE A 87 -10.794 -1.097 -6.132 1.00 0.00 C ATOM 541 CE1 PHE A 87 -12.493 -0.694 -8.267 1.00 0.00 C ATOM 542 CE2 PHE A 87 -10.276 -0.925 -7.402 1.00 0.00 C ATOM 543 CZ PHE A 87 -11.127 -0.722 -8.470 1.00 0.00 C ATOM 0 H PHE A 87 -11.114 0.527 -3.583 1.00 0.00 H new ATOM 0 HA PHE A 87 -13.923 0.523 -4.450 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -11.975 -1.754 -3.911 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -13.584 -1.920 -4.585 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -14.074 -0.841 -6.840 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -10.124 -1.254 -5.300 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -13.160 -0.538 -9.102 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -9.208 -0.949 -7.558 1.00 0.00 H new ATOM 0 HZ PHE A 87 -10.725 -0.585 -9.463 1.00 0.00 H new ATOM 553 N CYS A 88 -12.965 -1.051 -1.706 1.00 0.00 N ATOM 554 CA CYS A 88 -13.379 -1.406 -0.354 1.00 0.00 C ATOM 555 C CYS A 88 -13.358 -0.184 0.559 1.00 0.00 C ATOM 556 O CYS A 88 -14.060 -0.139 1.570 1.00 0.00 O ATOM 557 CB CYS A 88 -12.465 -2.495 0.212 1.00 0.00 C ATOM 558 SG CYS A 88 -10.859 -1.880 0.811 1.00 0.00 S ATOM 0 H CYS A 88 -12.090 -1.481 -2.005 1.00 0.00 H new ATOM 0 HA CYS A 88 -14.400 -1.786 -0.401 1.00 0.00 H new ATOM 0 HB2 CYS A 88 -12.979 -2.996 1.032 1.00 0.00 H new ATOM 0 HB3 CYS A 88 -12.290 -3.245 -0.560 1.00 0.00 H new ATOM 563 N TYR A 89 -12.548 0.805 0.196 1.00 0.00 N ATOM 564 CA TYR A 89 -12.434 2.027 0.984 1.00 0.00 C ATOM 565 C TYR A 89 -11.980 1.717 2.407 1.00 0.00 C ATOM 566 O TYR A 89 -12.587 2.172 3.376 1.00 0.00 O ATOM 567 CB TYR A 89 -13.772 2.767 1.013 1.00 0.00 C ATOM 568 CG TYR A 89 -13.940 3.760 -0.115 1.00 0.00 C ATOM 569 CD1 TYR A 89 -13.087 4.850 -0.239 1.00 0.00 C ATOM 570 CD2 TYR A 89 -14.951 3.608 -1.056 1.00 0.00 C ATOM 571 CE1 TYR A 89 -13.237 5.760 -1.268 1.00 0.00 C ATOM 572 CE2 TYR A 89 -15.107 4.512 -2.088 1.00 0.00 C ATOM 573 CZ TYR A 89 -14.248 5.587 -2.190 1.00 0.00 C ATOM 574 OH TYR A 89 -14.401 6.491 -3.216 1.00 0.00 O ATOM 0 H TYR A 89 -11.961 0.784 -0.638 1.00 0.00 H new ATOM 0 HA TYR A 89 -11.685 2.664 0.514 1.00 0.00 H new ATOM 0 HB2 TYR A 89 -14.581 2.038 0.968 1.00 0.00 H new ATOM 0 HB3 TYR A 89 -13.867 3.291 1.964 1.00 0.00 H new ATOM 0 HD1 TYR A 89 -12.294 4.988 0.481 1.00 0.00 H new ATOM 0 HD2 TYR A 89 -15.626 2.769 -0.979 1.00 0.00 H new ATOM 0 HE1 TYR A 89 -12.566 6.602 -1.350 1.00 0.00 H new ATOM 0 HE2 TYR A 89 -15.897 4.378 -2.812 1.00 0.00 H new ATOM 0 HH TYR A 89 -15.158 6.224 -3.777 1.00 0.00 H new ATOM 584 N GLN A 90 -10.907 0.940 2.523 1.00 0.00 N ATOM 585 CA GLN A 90 -10.371 0.570 3.828 1.00 0.00 C ATOM 586 C GLN A 90 -8.988 1.175 4.039 1.00 0.00 C ATOM 587 O GLN A 90 -8.193 1.274 3.104 1.00 0.00 O ATOM 588 CB GLN A 90 -10.301 -0.953 3.959 1.00 0.00 C ATOM 589 CG GLN A 90 -9.598 -1.422 5.223 1.00 0.00 C ATOM 590 CD GLN A 90 -10.485 -1.340 6.449 1.00 0.00 C ATOM 591 OE1 GLN A 90 -10.120 -0.730 7.455 1.00 0.00 O ATOM 592 NE2 GLN A 90 -11.659 -1.955 6.373 1.00 0.00 N ATOM 0 H GLN A 90 -10.393 0.555 1.731 1.00 0.00 H new ATOM 0 HA GLN A 90 -11.040 0.963 4.594 1.00 0.00 H new ATOM 0 HB2 GLN A 90 -11.313 -1.358 3.944 1.00 0.00 H new ATOM 0 HB3 GLN A 90 -9.782 -1.361 3.092 1.00 0.00 H new ATOM 0 HG2 GLN A 90 -9.265 -2.451 5.088 1.00 0.00 H new ATOM 0 HG3 GLN A 90 -8.706 -0.817 5.384 1.00 0.00 H new ATOM 0 HE21 GLN A 90 -11.922 -2.449 5.520 1.00 0.00 H new ATOM 0 HE22 GLN A 90 -12.298 -1.934 7.167 1.00 0.00 H new ATOM 601 N ARG A 91 -8.706 1.579 5.274 1.00 0.00 N ATOM 602 CA ARG A 91 -7.419 2.176 5.608 1.00 0.00 C ATOM 603 C ARG A 91 -6.409 1.103 6.005 1.00 0.00 C ATOM 604 O ARG A 91 -6.625 0.356 6.958 1.00 0.00 O ATOM 605 CB ARG A 91 -7.581 3.186 6.746 1.00 0.00 C ATOM 606 CG ARG A 91 -8.179 4.511 6.303 1.00 0.00 C ATOM 607 CD ARG A 91 -7.731 5.652 7.203 1.00 0.00 C ATOM 608 NE ARG A 91 -8.318 5.561 8.537 1.00 0.00 N ATOM 609 CZ ARG A 91 -9.525 6.026 8.842 1.00 0.00 C ATOM 610 NH1 ARG A 91 -10.268 6.612 7.913 1.00 0.00 N ATOM 611 NH2 ARG A 91 -9.990 5.905 10.079 1.00 0.00 N ATOM 0 H ARG A 91 -9.352 1.503 6.060 1.00 0.00 H new ATOM 0 HA ARG A 91 -7.046 2.693 4.724 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -8.215 2.751 7.519 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -6.607 3.370 7.199 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -7.883 4.719 5.275 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -9.267 4.443 6.314 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -6.644 5.644 7.284 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -8.010 6.603 6.749 1.00 0.00 H new ATOM 0 HE ARG A 91 -7.772 5.116 9.275 1.00 0.00 H new ATOM 0 HH11 ARG A 91 -9.913 6.707 6.961 1.00 0.00 H new ATOM 0 HH12 ARG A 91 -11.194 6.968 8.150 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -9.421 5.455 10.796 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -10.916 6.262 10.313 1.00 0.00 H new ATOM 625 N ASN A 92 -5.305 1.035 5.267 1.00 0.00 N ATOM 626 CA ASN A 92 -4.262 0.053 5.542 1.00 0.00 C ATOM 627 C ASN A 92 -2.894 0.723 5.625 1.00 0.00 C ATOM 628 O ASN A 92 -2.544 1.548 4.782 1.00 0.00 O ATOM 629 CB ASN A 92 -4.250 -1.025 4.457 1.00 0.00 C ATOM 630 CG ASN A 92 -5.647 -1.419 4.018 1.00 0.00 C ATOM 631 OD1 ASN A 92 -6.340 -2.166 4.709 1.00 0.00 O ATOM 632 ND2 ASN A 92 -6.067 -0.917 2.862 1.00 0.00 N ATOM 0 H ASN A 92 -5.110 1.647 4.475 1.00 0.00 H new ATOM 0 HA ASN A 92 -4.478 -0.412 6.504 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -3.690 -0.663 3.595 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -3.727 -1.906 4.830 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -6.998 -1.147 2.514 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -5.459 -0.302 2.322 1.00 0.00 H new ATOM 639 N GLN A 93 -2.125 0.360 6.646 1.00 0.00 N ATOM 640 CA GLN A 93 -0.794 0.926 6.839 1.00 0.00 C ATOM 641 C GLN A 93 0.158 0.462 5.742 1.00 0.00 C ATOM 642 O GLN A 93 -0.026 -0.605 5.156 1.00 0.00 O ATOM 643 CB GLN A 93 -0.243 0.532 8.210 1.00 0.00 C ATOM 644 CG GLN A 93 -0.699 1.447 9.335 1.00 0.00 C ATOM 645 CD GLN A 93 -2.087 1.105 9.840 1.00 0.00 C ATOM 646 OE1 GLN A 93 -2.618 0.032 9.551 1.00 0.00 O ATOM 647 NE2 GLN A 93 -2.682 2.017 10.600 1.00 0.00 N ATOM 0 H GLN A 93 -2.400 -0.323 7.352 1.00 0.00 H new ATOM 0 HA GLN A 93 -0.877 2.012 6.788 1.00 0.00 H new ATOM 0 HB2 GLN A 93 -0.550 -0.489 8.436 1.00 0.00 H new ATOM 0 HB3 GLN A 93 0.846 0.535 8.169 1.00 0.00 H new ATOM 0 HG2 GLN A 93 0.010 1.382 10.161 1.00 0.00 H new ATOM 0 HG3 GLN A 93 -0.688 2.479 8.985 1.00 0.00 H new ATOM 0 HE21 GLN A 93 -2.205 2.893 10.814 1.00 0.00 H new ATOM 0 HE22 GLN A 93 -3.616 1.842 10.970 1.00 0.00 H new ATOM 656 N PHE A 94 1.177 1.270 5.469 1.00 0.00 N ATOM 657 CA PHE A 94 2.159 0.943 4.442 1.00 0.00 C ATOM 658 C PHE A 94 2.860 -0.374 4.759 1.00 0.00 C ATOM 659 O PHE A 94 3.048 -0.743 5.919 1.00 0.00 O ATOM 660 CB PHE A 94 3.191 2.066 4.316 1.00 0.00 C ATOM 661 CG PHE A 94 2.809 3.123 3.319 1.00 0.00 C ATOM 662 CD1 PHE A 94 1.797 4.026 3.601 1.00 0.00 C ATOM 663 CD2 PHE A 94 3.463 3.213 2.101 1.00 0.00 C ATOM 664 CE1 PHE A 94 1.443 4.999 2.685 1.00 0.00 C ATOM 665 CE2 PHE A 94 3.114 4.183 1.181 1.00 0.00 C ATOM 666 CZ PHE A 94 2.103 5.078 1.474 1.00 0.00 C ATOM 0 H PHE A 94 1.344 2.156 5.945 1.00 0.00 H new ATOM 0 HA PHE A 94 1.633 0.835 3.494 1.00 0.00 H new ATOM 0 HB2 PHE A 94 3.330 2.532 5.292 1.00 0.00 H new ATOM 0 HB3 PHE A 94 4.150 1.636 4.028 1.00 0.00 H new ATOM 0 HD1 PHE A 94 1.279 3.969 4.547 1.00 0.00 H new ATOM 0 HD2 PHE A 94 4.255 2.517 1.868 1.00 0.00 H new ATOM 0 HE1 PHE A 94 0.651 5.697 2.916 1.00 0.00 H new ATOM 0 HE2 PHE A 94 3.631 4.242 0.234 1.00 0.00 H new ATOM 0 HZ PHE A 94 1.829 5.838 0.757 1.00 0.00 H new ATOM 676 N PRO A 95 3.256 -1.102 3.704 1.00 0.00 N ATOM 677 CA PRO A 95 3.942 -2.390 3.844 1.00 0.00 C ATOM 678 C PRO A 95 5.357 -2.236 4.393 1.00 0.00 C ATOM 679 O PRO A 95 5.983 -1.182 4.276 1.00 0.00 O ATOM 680 CB PRO A 95 3.980 -2.929 2.412 1.00 0.00 C ATOM 681 CG PRO A 95 3.913 -1.716 1.549 1.00 0.00 C ATOM 682 CD PRO A 95 3.064 -0.724 2.294 1.00 0.00 C ATOM 0 HA PRO A 95 3.434 -3.048 4.548 1.00 0.00 H new ATOM 0 HB2 PRO A 95 4.892 -3.497 2.227 1.00 0.00 H new ATOM 0 HB3 PRO A 95 3.142 -3.599 2.219 1.00 0.00 H new ATOM 0 HG2 PRO A 95 4.909 -1.315 1.362 1.00 0.00 H new ATOM 0 HG3 PRO A 95 3.477 -1.951 0.578 1.00 0.00 H new ATOM 0 HD2 PRO A 95 3.384 0.301 2.105 1.00 0.00 H new ATOM 0 HD3 PRO A 95 2.017 -0.790 1.999 1.00 0.00 H new ATOM 690 N PRO A 96 5.874 -3.311 5.006 1.00 0.00 N ATOM 691 CA PRO A 96 7.221 -3.320 5.585 1.00 0.00 C ATOM 692 C PRO A 96 8.310 -3.282 4.518 1.00 0.00 C ATOM 693 O PRO A 96 9.353 -2.656 4.704 1.00 0.00 O ATOM 694 CB PRO A 96 7.269 -4.644 6.351 1.00 0.00 C ATOM 695 CG PRO A 96 6.275 -5.516 5.664 1.00 0.00 C ATOM 696 CD PRO A 96 5.185 -4.600 5.182 1.00 0.00 C ATOM 0 HA PRO A 96 7.403 -2.445 6.208 1.00 0.00 H new ATOM 0 HB2 PRO A 96 8.267 -5.082 6.322 1.00 0.00 H new ATOM 0 HB3 PRO A 96 7.013 -4.503 7.401 1.00 0.00 H new ATOM 0 HG2 PRO A 96 6.733 -6.049 4.831 1.00 0.00 H new ATOM 0 HG3 PRO A 96 5.879 -6.269 6.346 1.00 0.00 H new ATOM 0 HD2 PRO A 96 4.748 -4.953 4.248 1.00 0.00 H new ATOM 0 HD3 PRO A 96 4.373 -4.526 5.906 1.00 0.00 H new ATOM 704 N SER A 97 8.061 -3.957 3.400 1.00 0.00 N ATOM 705 CA SER A 97 9.022 -4.003 2.305 1.00 0.00 C ATOM 706 C SER A 97 8.771 -2.871 1.313 1.00 0.00 C ATOM 707 O SER A 97 8.762 -3.084 0.100 1.00 0.00 O ATOM 708 CB SER A 97 8.945 -5.352 1.587 1.00 0.00 C ATOM 709 OG SER A 97 7.649 -5.575 1.059 1.00 0.00 O ATOM 0 H SER A 97 7.202 -4.479 3.229 1.00 0.00 H new ATOM 0 HA SER A 97 10.020 -3.879 2.725 1.00 0.00 H new ATOM 0 HB2 SER A 97 9.679 -5.382 0.782 1.00 0.00 H new ATOM 0 HB3 SER A 97 9.201 -6.152 2.281 1.00 0.00 H new ATOM 0 HG SER A 97 7.626 -6.443 0.604 1.00 0.00 H new ATOM 715 N TYR A 98 8.568 -1.668 1.838 1.00 0.00 N ATOM 716 CA TYR A 98 8.313 -0.502 1.001 1.00 0.00 C ATOM 717 C TYR A 98 9.619 0.080 0.466 1.00 0.00 C ATOM 718 O TYR A 98 9.781 1.297 0.384 1.00 0.00 O ATOM 719 CB TYR A 98 7.553 0.564 1.791 1.00 0.00 C ATOM 720 CG TYR A 98 8.451 1.482 2.590 1.00 0.00 C ATOM 721 CD1 TYR A 98 9.305 0.976 3.562 1.00 0.00 C ATOM 722 CD2 TYR A 98 8.446 2.854 2.372 1.00 0.00 C ATOM 723 CE1 TYR A 98 10.127 1.811 4.295 1.00 0.00 C ATOM 724 CE2 TYR A 98 9.266 3.696 3.098 1.00 0.00 C ATOM 725 CZ TYR A 98 10.104 3.170 4.059 1.00 0.00 C ATOM 726 OH TYR A 98 10.921 4.005 4.785 1.00 0.00 O ATOM 0 H TYR A 98 8.575 -1.475 2.840 1.00 0.00 H new ATOM 0 HA TYR A 98 7.704 -0.820 0.155 1.00 0.00 H new ATOM 0 HB2 TYR A 98 6.959 1.162 1.100 1.00 0.00 H new ATOM 0 HB3 TYR A 98 6.855 0.073 2.469 1.00 0.00 H new ATOM 0 HD1 TYR A 98 9.327 -0.088 3.748 1.00 0.00 H new ATOM 0 HD2 TYR A 98 7.790 3.270 1.622 1.00 0.00 H new ATOM 0 HE1 TYR A 98 10.784 1.402 5.048 1.00 0.00 H new ATOM 0 HE2 TYR A 98 9.251 4.760 2.914 1.00 0.00 H new ATOM 0 HH TYR A 98 10.783 4.931 4.495 1.00 0.00 H new ATOM 736 N ALA A 99 10.546 -0.800 0.103 1.00 0.00 N ATOM 737 CA ALA A 99 11.836 -0.376 -0.426 1.00 0.00 C ATOM 738 C ALA A 99 11.888 -0.537 -1.942 1.00 0.00 C ATOM 739 O ALA A 99 11.880 -1.654 -2.458 1.00 0.00 O ATOM 740 CB ALA A 99 12.961 -1.164 0.229 1.00 0.00 C ATOM 0 H ALA A 99 10.428 -1.811 0.166 1.00 0.00 H new ATOM 0 HA ALA A 99 11.965 0.681 -0.194 1.00 0.00 H new ATOM 0 HB1 ALA A 99 13.918 -0.836 -0.176 1.00 0.00 H new ATOM 0 HB2 ALA A 99 12.945 -0.994 1.306 1.00 0.00 H new ATOM 0 HB3 ALA A 99 12.826 -2.227 0.027 1.00 0.00 H new ATOM 746 N GLY A 100 11.939 0.587 -2.651 1.00 0.00 N ATOM 747 CA GLY A 100 11.990 0.547 -4.101 1.00 0.00 C ATOM 748 C GLY A 100 10.642 0.824 -4.736 1.00 0.00 C ATOM 749 O GLY A 100 10.271 0.186 -5.722 1.00 0.00 O ATOM 0 H GLY A 100 11.946 1.524 -2.247 1.00 0.00 H new ATOM 0 HA2 GLY A 100 12.713 1.281 -4.456 1.00 0.00 H new ATOM 0 HA3 GLY A 100 12.345 -0.432 -4.422 1.00 0.00 H new ATOM 753 N ILE A 101 9.907 1.774 -4.170 1.00 0.00 N ATOM 754 CA ILE A 101 8.592 2.133 -4.687 1.00 0.00 C ATOM 755 C ILE A 101 8.547 3.598 -5.106 1.00 0.00 C ATOM 756 O ILE A 101 8.865 4.489 -4.319 1.00 0.00 O ATOM 757 CB ILE A 101 7.488 1.873 -3.646 1.00 0.00 C ATOM 758 CG1 ILE A 101 7.525 0.415 -3.182 1.00 0.00 C ATOM 759 CG2 ILE A 101 6.123 2.216 -4.224 1.00 0.00 C ATOM 760 CD1 ILE A 101 6.558 0.113 -2.059 1.00 0.00 C ATOM 0 H ILE A 101 10.199 2.310 -3.353 1.00 0.00 H new ATOM 0 HA ILE A 101 8.413 1.504 -5.559 1.00 0.00 H new ATOM 0 HB ILE A 101 7.667 2.513 -2.782 1.00 0.00 H new ATOM 0 HG12 ILE A 101 7.299 -0.233 -4.029 1.00 0.00 H new ATOM 0 HG13 ILE A 101 8.536 0.172 -2.855 1.00 0.00 H new ATOM 0 HG21 ILE A 101 5.353 2.027 -3.476 1.00 0.00 H new ATOM 0 HG22 ILE A 101 6.102 3.268 -4.508 1.00 0.00 H new ATOM 0 HG23 ILE A 101 5.934 1.599 -5.103 1.00 0.00 H new ATOM 0 HD11 ILE A 101 6.639 -0.938 -1.782 1.00 0.00 H new ATOM 0 HD12 ILE A 101 6.796 0.735 -1.196 1.00 0.00 H new ATOM 0 HD13 ILE A 101 5.541 0.324 -2.388 1.00 0.00 H new ATOM 772 N SER A 102 8.146 3.840 -6.350 1.00 0.00 N ATOM 773 CA SER A 102 8.060 5.198 -6.874 1.00 0.00 C ATOM 774 C SER A 102 6.637 5.735 -6.762 1.00 0.00 C ATOM 775 O SER A 102 6.417 6.842 -6.272 1.00 0.00 O ATOM 776 CB SER A 102 8.517 5.233 -8.334 1.00 0.00 C ATOM 777 OG SER A 102 7.681 4.431 -9.150 1.00 0.00 O ATOM 0 H SER A 102 7.876 3.114 -7.013 1.00 0.00 H new ATOM 0 HA SER A 102 8.717 5.833 -6.279 1.00 0.00 H new ATOM 0 HB2 SER A 102 8.507 6.261 -8.697 1.00 0.00 H new ATOM 0 HB3 SER A 102 9.546 4.880 -8.405 1.00 0.00 H new ATOM 0 HG SER A 102 7.993 4.472 -10.078 1.00 0.00 H new ATOM 783 N GLU A 103 5.674 4.941 -7.220 1.00 0.00 N ATOM 784 CA GLU A 103 4.271 5.337 -7.173 1.00 0.00 C ATOM 785 C GLU A 103 3.943 6.017 -5.847 1.00 0.00 C ATOM 786 O GLU A 103 3.333 7.087 -5.819 1.00 0.00 O ATOM 787 CB GLU A 103 3.368 4.118 -7.371 1.00 0.00 C ATOM 788 CG GLU A 103 3.457 3.104 -6.243 1.00 0.00 C ATOM 789 CD GLU A 103 2.971 1.728 -6.656 1.00 0.00 C ATOM 790 OE1 GLU A 103 1.741 1.516 -6.682 1.00 0.00 O ATOM 791 OE2 GLU A 103 3.822 0.863 -6.953 1.00 0.00 O ATOM 0 H GLU A 103 5.839 4.021 -7.627 1.00 0.00 H new ATOM 0 HA GLU A 103 4.092 6.047 -7.980 1.00 0.00 H new ATOM 0 HB2 GLU A 103 2.335 4.453 -7.466 1.00 0.00 H new ATOM 0 HB3 GLU A 103 3.632 3.629 -8.309 1.00 0.00 H new ATOM 0 HG2 GLU A 103 4.490 3.033 -5.904 1.00 0.00 H new ATOM 0 HG3 GLU A 103 2.867 3.455 -5.397 1.00 0.00 H new ATOM 798 N LEU A 104 4.350 5.388 -4.749 1.00 0.00 N ATOM 799 CA LEU A 104 4.099 5.931 -3.419 1.00 0.00 C ATOM 800 C LEU A 104 5.035 7.098 -3.121 1.00 0.00 C ATOM 801 O LEU A 104 4.589 8.218 -2.879 1.00 0.00 O ATOM 802 CB LEU A 104 4.272 4.840 -2.360 1.00 0.00 C ATOM 803 CG LEU A 104 3.283 3.676 -2.427 1.00 0.00 C ATOM 804 CD1 LEU A 104 3.767 2.514 -1.574 1.00 0.00 C ATOM 805 CD2 LEU A 104 1.899 4.126 -1.983 1.00 0.00 C ATOM 0 H LEU A 104 4.855 4.502 -4.754 1.00 0.00 H new ATOM 0 HA LEU A 104 3.073 6.297 -3.391 1.00 0.00 H new ATOM 0 HB2 LEU A 104 5.282 4.438 -2.443 1.00 0.00 H new ATOM 0 HB3 LEU A 104 4.193 5.301 -1.376 1.00 0.00 H new ATOM 0 HG LEU A 104 3.219 3.338 -3.461 1.00 0.00 H new ATOM 0 HD11 LEU A 104 3.050 1.695 -1.634 1.00 0.00 H new ATOM 0 HD12 LEU A 104 4.737 2.175 -1.938 1.00 0.00 H new ATOM 0 HD13 LEU A 104 3.861 2.838 -0.538 1.00 0.00 H new ATOM 0 HD21 LEU A 104 1.208 3.285 -2.037 1.00 0.00 H new ATOM 0 HD22 LEU A 104 1.947 4.491 -0.957 1.00 0.00 H new ATOM 0 HD23 LEU A 104 1.549 4.925 -2.636 1.00 0.00 H new ATOM 817 N ASN A 105 6.336 6.826 -3.143 1.00 0.00 N ATOM 818 CA ASN A 105 7.336 7.854 -2.878 1.00 0.00 C ATOM 819 C ASN A 105 7.088 9.090 -3.737 1.00 0.00 C ATOM 820 O ASN A 105 6.369 9.029 -4.735 1.00 0.00 O ATOM 821 CB ASN A 105 8.741 7.309 -3.143 1.00 0.00 C ATOM 822 CG ASN A 105 9.820 8.343 -2.888 1.00 0.00 C ATOM 823 OD1 ASN A 105 9.752 9.103 -1.921 1.00 0.00 O ATOM 824 ND2 ASN A 105 10.824 8.377 -3.757 1.00 0.00 N ATOM 0 H ASN A 105 6.722 5.903 -3.341 1.00 0.00 H new ATOM 0 HA ASN A 105 7.256 8.141 -1.829 1.00 0.00 H new ATOM 0 HB2 ASN A 105 8.917 6.441 -2.508 1.00 0.00 H new ATOM 0 HB3 ASN A 105 8.806 6.967 -4.176 1.00 0.00 H new ATOM 0 HD21 ASN A 105 11.579 9.052 -3.637 1.00 0.00 H new ATOM 0 HD22 ASN A 105 10.840 7.728 -4.544 1.00 0.00 H new ATOM 831 N GLN A 106 7.687 10.208 -3.343 1.00 0.00 N ATOM 832 CA GLN A 106 7.531 11.458 -4.077 1.00 0.00 C ATOM 833 C GLN A 106 8.387 11.459 -5.339 1.00 0.00 C ATOM 834 O GLN A 106 9.563 11.095 -5.321 1.00 0.00 O ATOM 835 CB GLN A 106 7.907 12.646 -3.191 1.00 0.00 C ATOM 836 CG GLN A 106 7.144 13.919 -3.522 1.00 0.00 C ATOM 837 CD GLN A 106 5.657 13.793 -3.259 1.00 0.00 C ATOM 838 OE1 GLN A 106 4.851 13.761 -4.189 1.00 0.00 O ATOM 839 NE2 GLN A 106 5.285 13.720 -1.986 1.00 0.00 N ATOM 0 H GLN A 106 8.285 10.274 -2.519 1.00 0.00 H new ATOM 0 HA GLN A 106 6.485 11.549 -4.369 1.00 0.00 H new ATOM 0 HB2 GLN A 106 7.724 12.383 -2.149 1.00 0.00 H new ATOM 0 HB3 GLN A 106 8.976 12.837 -3.289 1.00 0.00 H new ATOM 0 HG2 GLN A 106 7.545 14.742 -2.931 1.00 0.00 H new ATOM 0 HG3 GLN A 106 7.304 14.172 -4.570 1.00 0.00 H new ATOM 0 HE21 GLN A 106 5.987 13.750 -1.247 1.00 0.00 H new ATOM 0 HE22 GLN A 106 4.297 13.634 -1.748 1.00 0.00 H new ATOM 848 N PRO A 107 7.786 11.877 -6.463 1.00 0.00 N ATOM 849 CA PRO A 107 8.475 11.935 -7.755 1.00 0.00 C ATOM 850 C PRO A 107 9.535 13.031 -7.798 1.00 0.00 C ATOM 851 O PRO A 107 9.365 14.095 -7.203 1.00 0.00 O ATOM 852 CB PRO A 107 7.349 12.242 -8.745 1.00 0.00 C ATOM 853 CG PRO A 107 6.308 12.931 -7.932 1.00 0.00 C ATOM 854 CD PRO A 107 6.386 12.325 -6.558 1.00 0.00 C ATOM 0 HA PRO A 107 9.012 11.011 -7.972 1.00 0.00 H new ATOM 0 HB2 PRO A 107 7.700 12.876 -9.559 1.00 0.00 H new ATOM 0 HB3 PRO A 107 6.959 11.330 -9.197 1.00 0.00 H new ATOM 0 HG2 PRO A 107 6.489 14.005 -7.895 1.00 0.00 H new ATOM 0 HG3 PRO A 107 5.318 12.789 -8.365 1.00 0.00 H new ATOM 0 HD2 PRO A 107 6.143 13.052 -5.783 1.00 0.00 H new ATOM 0 HD3 PRO A 107 5.689 11.494 -6.445 1.00 0.00 H new ATOM 862 N ALA A 108 10.627 12.764 -8.507 1.00 0.00 N ATOM 863 CA ALA A 108 11.713 13.729 -8.629 1.00 0.00 C ATOM 864 C ALA A 108 11.183 15.107 -9.011 1.00 0.00 C ATOM 865 O ALA A 108 10.364 15.237 -9.921 1.00 0.00 O ATOM 866 CB ALA A 108 12.731 13.251 -9.653 1.00 0.00 C ATOM 0 H ALA A 108 10.783 11.888 -9.005 1.00 0.00 H new ATOM 0 HA ALA A 108 12.202 13.813 -7.658 1.00 0.00 H new ATOM 0 HB1 ALA A 108 13.536 13.981 -9.734 1.00 0.00 H new ATOM 0 HB2 ALA A 108 13.141 12.292 -9.338 1.00 0.00 H new ATOM 0 HB3 ALA A 108 12.246 13.137 -10.622 1.00 0.00 H new TER 872 ALA A 108 HETATM 873 ZN ZN A 200 -9.423 -2.652 -0.882 1.00 0.00 ZN