USER MOD reduce.3.24.130724 H: found=0, std=0, add=823, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 823 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 Single : A 1 GLY N :NH3+ 151:sc= 0.0489 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 ASN : amide:sc= 0 X(o=0,f=-0.0023) USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 16 HIS : no HD1:sc= -0.318 X(o=-0.32,f=-0.16) USER MOD Single : A 20 HIS :FLIP no HD1:sc= -1.5 F(o=-2.1!,f=-1.5) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 ASN : amide:sc= -0.0608 X(o=-0.061,f=-0.18) USER MOD Single : A 34 GLN : amide:sc= -0.0126 X(o=-0.013,f=-0.013) USER MOD Single : A 35 SER OG : rot -173:sc= 0.15 USER MOD Single : A 39 THR OG1 : rot 180:sc=-0.000809 USER MOD Single : A 40 ASN : amide:sc= 0.62 K(o=0.62,f=-0.52) USER MOD Single : A 41 SER OG : rot 180:sc= 0.126 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ -158:sc= -0.057 (180deg=-0.456) USER MOD Single : A 53 SER OG : rot -46:sc= 0.432 USER MOD Single : A 54 ASN : amide:sc= 0.732 K(o=0.73,f=0) USER MOD Single : A 56 THR OG1 : rot 180:sc= -0.363 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 THR OG1 : rot 140:sc= 0.672 USER MOD Single : A 62 ASN : amide:sc= -0.252 K(o=-0.25,f=-2.3!) USER MOD Single : A 74 MET CE :methyl 162:sc= -0.0207 (180deg=-0.478) USER MOD Single : A 75 HIS : no HE2:sc= -2.52 K(o=-2.5,f=-5.6!) USER MOD Single : A 76 SER OG : rot -179:sc= -0.675 USER MOD Single : A 77 THR OG1 : rot -170:sc= 0.746 USER MOD Single : A 79 HIS : no HE2:sc= -0.73 K(o=-0.73,f=-2.4!) USER MOD Single : A 84 LYS NZ :NH3+ -126:sc= 1.3 (180deg=0.51) USER MOD Single : A 86 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 ASN : amide:sc= -0.209 K(o=-0.21,f=-1.6) USER MOD Single : A 91 LYS NZ :NH3+ -165:sc= 0.73 (180deg=0.563) USER MOD Single : A 92 THR OG1 : rot -93:sc= -0.441 USER MOD Single : A 94 GLN : amide:sc= 0 K(o=0,f=-0.58) USER MOD Single : A 97 ASN : amide:sc= -0.028 K(o=-0.028,f=-0.9) USER MOD Single : A 99 GLN : amide:sc= -0.311 K(o=-0.31,f=-3.3!) USER MOD Single : A 101 LYS NZ :NH3+ -159:sc= -0.024 (180deg=-0.219) USER MOD Single : A 105 ASN : amide:sc= -0.0111 X(o=-0.011,f=-0.3) USER MOD Single : A 106 SER OG : rot -37:sc= 0.628 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -9.312 9.298 -11.267 1.00 17.96 N ATOM 2 CA GLY A 1 -10.372 10.317 -11.263 1.00 18.29 C ATOM 3 C GLY A 1 -9.792 11.561 -10.632 1.00 17.76 C ATOM 4 O GLY A 1 -9.146 11.432 -9.596 1.00 17.13 O ATOM 0 H1 GLY A 1 -9.740 8.352 -11.214 1.00 17.96 H new ATOM 0 H2 GLY A 1 -8.756 9.379 -12.142 1.00 17.96 H new ATOM 0 H3 GLY A 1 -8.689 9.442 -10.447 1.00 17.96 H new ATOM 0 HA2 GLY A 1 -10.712 10.523 -12.278 1.00 18.29 H new ATOM 0 HA3 GLY A 1 -11.239 9.969 -10.701 1.00 18.29 H new ATOM 10 N SER A 2 -9.943 12.714 -11.288 1.00 18.22 N ATOM 11 CA SER A 2 -9.109 13.884 -11.036 1.00 18.07 C ATOM 12 C SER A 2 -7.636 13.573 -11.343 1.00 18.71 C ATOM 13 O SER A 2 -7.280 12.427 -11.625 1.00 19.41 O ATOM 14 CB SER A 2 -9.342 14.406 -9.613 1.00 16.89 C ATOM 15 OG SER A 2 -10.734 14.560 -9.412 1.00 16.84 O ATOM 0 H SER A 2 -10.649 12.859 -12.009 1.00 18.22 H new ATOM 0 HA SER A 2 -9.395 14.691 -11.711 1.00 18.07 H new ATOM 0 HB2 SER A 2 -8.929 13.711 -8.882 1.00 16.89 H new ATOM 0 HB3 SER A 2 -8.831 15.358 -9.471 1.00 16.89 H new ATOM 0 HG SER A 2 -10.899 14.892 -8.505 1.00 16.84 H new ATOM 21 N LYS A 3 -6.778 14.595 -11.348 1.00 18.79 N ATOM 22 CA LYS A 3 -5.339 14.426 -11.507 1.00 19.43 C ATOM 23 C LYS A 3 -4.649 15.627 -10.873 1.00 18.40 C ATOM 24 O LYS A 3 -5.269 16.679 -10.738 1.00 18.07 O ATOM 25 CB LYS A 3 -4.965 14.286 -12.992 1.00 21.92 C ATOM 26 CG LYS A 3 -5.153 15.582 -13.796 1.00 22.79 C ATOM 27 CD LYS A 3 -4.888 15.368 -15.291 1.00 25.22 C ATOM 28 CE LYS A 3 -6.035 14.582 -15.936 1.00 25.75 C ATOM 29 NZ LYS A 3 -5.821 14.386 -17.388 1.00 27.79 N ATOM 0 H LYS A 3 -7.067 15.567 -11.241 1.00 18.79 H new ATOM 0 HA LYS A 3 -5.012 13.512 -11.012 1.00 19.43 H new ATOM 0 HB2 LYS A 3 -3.925 13.968 -13.068 1.00 21.92 H new ATOM 0 HB3 LYS A 3 -5.573 13.499 -13.439 1.00 21.92 H new ATOM 0 HG2 LYS A 3 -6.169 15.952 -13.656 1.00 22.79 H new ATOM 0 HG3 LYS A 3 -4.479 16.348 -13.413 1.00 22.79 H new ATOM 0 HD2 LYS A 3 -4.776 16.332 -15.788 1.00 25.22 H new ATOM 0 HD3 LYS A 3 -3.950 14.829 -15.426 1.00 25.22 H new ATOM 0 HE2 LYS A 3 -6.129 13.612 -15.449 1.00 25.75 H new ATOM 0 HE3 LYS A 3 -6.974 15.112 -15.776 1.00 25.75 H new ATOM 0 HZ1 LYS A 3 -6.618 13.850 -17.787 1.00 27.79 H new ATOM 0 HZ2 LYS A 3 -5.756 15.312 -17.857 1.00 27.79 H new ATOM 0 HZ3 LYS A 3 -4.938 13.858 -17.541 1.00 27.79 H new ATOM 43 N GLY A 4 -3.375 15.485 -10.516 1.00 18.16 N ATOM 44 CA GLY A 4 -2.580 16.569 -9.969 1.00 17.32 C ATOM 45 C GLY A 4 -1.374 15.998 -9.253 1.00 16.39 C ATOM 46 O GLY A 4 -1.346 14.810 -8.935 1.00 16.48 O ATOM 0 H GLY A 4 -2.866 14.605 -10.601 1.00 18.16 H new ATOM 0 HA2 GLY A 4 -2.259 17.238 -10.768 1.00 17.32 H new ATOM 0 HA3 GLY A 4 -3.180 17.162 -9.278 1.00 17.32 H new ATOM 50 N VAL A 5 -0.375 16.839 -9.004 1.00 15.75 N ATOM 51 CA VAL A 5 0.662 16.504 -8.055 1.00 14.71 C ATOM 52 C VAL A 5 0.138 16.634 -6.626 1.00 12.33 C ATOM 53 O VAL A 5 -1.038 16.919 -6.402 1.00 11.63 O ATOM 54 CB VAL A 5 1.913 17.359 -8.295 1.00 15.18 C ATOM 55 CG1 VAL A 5 2.754 16.635 -9.334 1.00 17.61 C ATOM 56 CG2 VAL A 5 1.648 18.763 -8.863 1.00 14.96 C ATOM 0 H VAL A 5 -0.268 17.751 -9.448 1.00 15.75 H new ATOM 0 HA VAL A 5 0.954 15.464 -8.201 1.00 14.71 H new ATOM 0 HB VAL A 5 2.385 17.490 -7.321 1.00 15.18 H new ATOM 0 HG11 VAL A 5 3.658 17.210 -9.536 1.00 17.61 H new ATOM 0 HG12 VAL A 5 3.028 15.649 -8.958 1.00 17.61 H new ATOM 0 HG13 VAL A 5 2.180 16.526 -10.254 1.00 17.61 H new ATOM 0 HG21 VAL A 5 2.595 19.286 -8.996 1.00 14.96 H new ATOM 0 HG22 VAL A 5 1.142 18.677 -9.825 1.00 14.96 H new ATOM 0 HG23 VAL A 5 1.019 19.323 -8.171 1.00 14.96 H new ATOM 66 N GLU A 6 1.017 16.413 -5.653 1.00 11.32 N ATOM 67 CA GLU A 6 0.663 16.304 -4.261 1.00 9.23 C ATOM 68 C GLU A 6 1.148 17.528 -3.494 1.00 7.86 C ATOM 69 O GLU A 6 2.344 17.765 -3.349 1.00 8.19 O ATOM 70 CB GLU A 6 1.158 14.954 -3.736 1.00 9.60 C ATOM 71 CG GLU A 6 2.626 14.562 -3.985 1.00 11.16 C ATOM 72 CD GLU A 6 2.816 13.064 -3.716 1.00 12.13 C ATOM 73 OE1 GLU A 6 2.174 12.240 -4.409 1.00 12.70 O ATOM 74 OE2 GLU A 6 3.540 12.681 -2.772 1.00 12.66 O ATOM 0 H GLU A 6 2.016 16.304 -5.826 1.00 11.32 H new ATOM 0 HA GLU A 6 -0.417 16.308 -4.115 1.00 9.23 H new ATOM 0 HB2 GLU A 6 0.988 14.934 -2.660 1.00 9.60 H new ATOM 0 HB3 GLU A 6 0.529 14.178 -4.172 1.00 9.60 H new ATOM 0 HG2 GLU A 6 2.905 14.795 -5.013 1.00 11.16 H new ATOM 0 HG3 GLU A 6 3.282 15.143 -3.337 1.00 11.16 H new ATOM 81 N LEU A 7 0.183 18.352 -3.076 1.00 6.67 N ATOM 82 CA LEU A 7 0.382 19.626 -2.405 1.00 5.75 C ATOM 83 C LEU A 7 -0.780 19.934 -1.459 1.00 4.20 C ATOM 84 O LEU A 7 -1.051 21.090 -1.143 1.00 4.95 O ATOM 85 CB LEU A 7 0.610 20.757 -3.429 1.00 7.63 C ATOM 86 CG LEU A 7 -0.171 20.715 -4.759 1.00 9.54 C ATOM 87 CD1 LEU A 7 0.641 20.023 -5.854 1.00 11.00 C ATOM 88 CD2 LEU A 7 -1.582 20.115 -4.757 1.00 9.53 C ATOM 0 H LEU A 7 -0.804 18.132 -3.206 1.00 6.67 H new ATOM 0 HA LEU A 7 1.283 19.556 -1.795 1.00 5.75 H new ATOM 0 HB2 LEU A 7 0.376 21.701 -2.937 1.00 7.63 H new ATOM 0 HB3 LEU A 7 1.673 20.777 -3.669 1.00 7.63 H new ATOM 0 HG LEU A 7 -0.323 21.777 -4.950 1.00 9.54 H new ATOM 0 HD11 LEU A 7 0.065 20.008 -6.780 1.00 11.00 H new ATOM 0 HD12 LEU A 7 1.572 20.566 -6.015 1.00 11.00 H new ATOM 0 HD13 LEU A 7 0.865 19.001 -5.550 1.00 11.00 H new ATOM 0 HD21 LEU A 7 -1.997 20.158 -5.764 1.00 9.53 H new ATOM 0 HD22 LEU A 7 -1.535 19.077 -4.428 1.00 9.53 H new ATOM 0 HD23 LEU A 7 -2.218 20.683 -4.078 1.00 9.53 H new ATOM 100 N ARG A 8 -1.460 18.899 -0.965 1.00 2.94 N ATOM 101 CA ARG A 8 -2.485 19.030 0.055 1.00 2.48 C ATOM 102 C ARG A 8 -2.501 17.746 0.867 1.00 1.98 C ATOM 103 O ARG A 8 -2.829 16.701 0.315 1.00 1.69 O ATOM 104 CB ARG A 8 -3.872 19.249 -0.575 1.00 4.38 C ATOM 105 CG ARG A 8 -4.089 20.668 -1.110 1.00 5.29 C ATOM 106 CD ARG A 8 -5.488 20.857 -1.703 1.00 7.12 C ATOM 107 NE ARG A 8 -6.570 20.761 -0.702 1.00 8.33 N ATOM 108 CZ ARG A 8 -7.802 21.277 -0.834 1.00 9.93 C ATOM 109 NH1 ARG A 8 -8.136 21.960 -1.929 1.00 10.47 N ATOM 110 NH2 ARG A 8 -8.708 21.109 0.126 1.00 11.29 N ATOM 0 H ARG A 8 -1.308 17.937 -1.270 1.00 2.94 H new ATOM 0 HA ARG A 8 -2.261 19.892 0.683 1.00 2.48 H new ATOM 0 HB2 ARG A 8 -4.007 18.538 -1.390 1.00 4.38 H new ATOM 0 HB3 ARG A 8 -4.638 19.030 0.169 1.00 4.38 H new ATOM 0 HG2 ARG A 8 -3.939 21.385 -0.303 1.00 5.29 H new ATOM 0 HG3 ARG A 8 -3.341 20.885 -1.873 1.00 5.29 H new ATOM 0 HD2 ARG A 8 -5.539 21.831 -2.189 1.00 7.12 H new ATOM 0 HD3 ARG A 8 -5.651 20.106 -2.476 1.00 7.12 H new ATOM 0 HE ARG A 8 -6.363 20.260 0.162 1.00 8.33 H new ATOM 0 HH11 ARG A 8 -7.453 22.094 -2.675 1.00 10.47 H new ATOM 0 HH12 ARG A 8 -9.075 22.349 -2.021 1.00 10.47 H new ATOM 0 HH21 ARG A 8 -8.468 20.586 0.968 1.00 11.29 H new ATOM 0 HH22 ARG A 8 -9.643 21.504 0.020 1.00 11.29 H new ATOM 124 N ASN A 9 -2.235 17.833 2.172 1.00 1.95 N ATOM 125 CA ASN A 9 -2.421 16.729 3.115 1.00 1.70 C ATOM 126 C ASN A 9 -3.810 16.132 3.010 1.00 1.38 C ATOM 127 O ASN A 9 -3.994 14.947 3.240 1.00 1.22 O ATOM 128 CB ASN A 9 -2.233 17.228 4.554 1.00 1.87 C ATOM 129 CG ASN A 9 -0.800 17.035 5.021 1.00 2.23 C ATOM 130 OD1 ASN A 9 0.127 17.466 4.353 1.00 2.97 O ATOM 131 ND2 ASN A 9 -0.594 16.401 6.168 1.00 2.30 N ATOM 0 H ASN A 9 -1.880 18.683 2.609 1.00 1.95 H new ATOM 0 HA ASN A 9 -1.681 15.968 2.866 1.00 1.70 H new ATOM 0 HB2 ASN A 9 -2.498 18.284 4.613 1.00 1.87 H new ATOM 0 HB3 ASN A 9 -2.910 16.692 5.219 1.00 1.87 H new ATOM 0 HD21 ASN A 9 0.357 16.264 6.511 1.00 2.30 H new ATOM 0 HD22 ASN A 9 -1.386 16.051 6.707 1.00 2.30 H new ATOM 138 N ASP A 10 -4.791 16.970 2.711 1.00 1.37 N ATOM 139 CA ASP A 10 -6.160 16.564 2.477 1.00 1.24 C ATOM 140 C ASP A 10 -6.233 15.549 1.334 1.00 1.07 C ATOM 141 O ASP A 10 -6.759 14.459 1.507 1.00 0.94 O ATOM 142 CB ASP A 10 -6.931 17.855 2.225 1.00 1.40 C ATOM 143 CG ASP A 10 -8.335 17.644 1.683 1.00 1.66 C ATOM 144 OD1 ASP A 10 -9.024 16.724 2.163 1.00 2.64 O ATOM 145 OD2 ASP A 10 -8.690 18.465 0.808 1.00 2.60 O ATOM 0 H ASP A 10 -4.649 17.976 2.623 1.00 1.37 H new ATOM 0 HA ASP A 10 -6.603 16.040 3.324 1.00 1.24 H new ATOM 0 HB2 ASP A 10 -6.994 18.416 3.157 1.00 1.40 H new ATOM 0 HB3 ASP A 10 -6.370 18.469 1.521 1.00 1.40 H new ATOM 150 N SER A 11 -5.651 15.853 0.175 1.00 1.19 N ATOM 151 CA SER A 11 -5.670 14.956 -0.973 1.00 1.13 C ATOM 152 C SER A 11 -4.812 13.704 -0.749 1.00 0.84 C ATOM 153 O SER A 11 -5.237 12.588 -1.044 1.00 0.67 O ATOM 154 CB SER A 11 -5.165 15.735 -2.182 1.00 1.49 C ATOM 155 OG SER A 11 -5.862 16.965 -2.272 1.00 1.90 O ATOM 0 H SER A 11 -5.154 16.728 0.008 1.00 1.19 H new ATOM 0 HA SER A 11 -6.690 14.605 -1.132 1.00 1.13 H new ATOM 0 HB2 SER A 11 -4.094 15.917 -2.090 1.00 1.49 H new ATOM 0 HB3 SER A 11 -5.313 15.153 -3.092 1.00 1.49 H new ATOM 0 HG SER A 11 -5.538 17.469 -3.048 1.00 1.90 H new ATOM 161 N GLU A 12 -3.588 13.888 -0.252 1.00 0.93 N ATOM 162 CA GLU A 12 -2.639 12.803 0.001 1.00 0.86 C ATOM 163 C GLU A 12 -3.206 11.855 1.058 1.00 0.73 C ATOM 164 O GLU A 12 -3.005 10.640 1.025 1.00 0.70 O ATOM 165 CB GLU A 12 -1.309 13.381 0.512 1.00 1.21 C ATOM 166 CG GLU A 12 -0.161 13.063 -0.442 1.00 1.92 C ATOM 167 CD GLU A 12 1.172 13.405 0.227 1.00 2.27 C ATOM 168 OE1 GLU A 12 1.545 14.595 0.163 1.00 3.28 O ATOM 169 OE2 GLU A 12 1.764 12.478 0.833 1.00 2.92 O ATOM 0 H GLU A 12 -3.223 14.809 -0.010 1.00 0.93 H new ATOM 0 HA GLU A 12 -2.470 12.260 -0.929 1.00 0.86 H new ATOM 0 HB2 GLU A 12 -1.400 14.461 0.627 1.00 1.21 H new ATOM 0 HB3 GLU A 12 -1.088 12.973 1.498 1.00 1.21 H new ATOM 0 HG2 GLU A 12 -0.183 12.008 -0.714 1.00 1.92 H new ATOM 0 HG3 GLU A 12 -0.273 13.633 -1.365 1.00 1.92 H new ATOM 176 N GLY A 13 -3.907 12.440 2.025 1.00 0.75 N ATOM 177 CA GLY A 13 -4.613 11.722 3.067 1.00 0.69 C ATOM 178 C GLY A 13 -5.741 10.917 2.444 1.00 0.55 C ATOM 179 O GLY A 13 -5.825 9.714 2.659 1.00 0.51 O ATOM 0 H GLY A 13 -3.998 13.453 2.102 1.00 0.75 H new ATOM 0 HA2 GLY A 13 -3.928 11.060 3.597 1.00 0.69 H new ATOM 0 HA3 GLY A 13 -5.012 12.422 3.801 1.00 0.69 H new ATOM 183 N PHE A 14 -6.570 11.565 1.623 1.00 0.58 N ATOM 184 CA PHE A 14 -7.711 10.958 0.956 1.00 0.58 C ATOM 185 C PHE A 14 -7.303 9.659 0.282 1.00 0.45 C ATOM 186 O PHE A 14 -7.855 8.610 0.586 1.00 0.52 O ATOM 187 CB PHE A 14 -8.336 11.928 -0.063 1.00 0.70 C ATOM 188 CG PHE A 14 -9.691 12.469 0.340 1.00 1.04 C ATOM 189 CD1 PHE A 14 -9.821 13.249 1.503 1.00 2.82 C ATOM 190 CD2 PHE A 14 -10.821 12.208 -0.457 1.00 1.66 C ATOM 191 CE1 PHE A 14 -11.075 13.764 1.869 1.00 3.71 C ATOM 192 CE2 PHE A 14 -12.078 12.720 -0.087 1.00 2.04 C ATOM 193 CZ PHE A 14 -12.205 13.498 1.077 1.00 2.88 C ATOM 0 H PHE A 14 -6.458 12.554 1.401 1.00 0.58 H new ATOM 0 HA PHE A 14 -8.465 10.734 1.710 1.00 0.58 H new ATOM 0 HB2 PHE A 14 -7.655 12.765 -0.215 1.00 0.70 H new ATOM 0 HB3 PHE A 14 -8.432 11.417 -1.021 1.00 0.70 H new ATOM 0 HD1 PHE A 14 -8.955 13.452 2.116 1.00 2.82 H new ATOM 0 HD2 PHE A 14 -10.723 11.614 -1.354 1.00 1.66 H new ATOM 0 HE1 PHE A 14 -11.171 14.366 2.761 1.00 3.71 H new ATOM 0 HE2 PHE A 14 -12.945 12.515 -0.697 1.00 2.04 H new ATOM 0 HZ PHE A 14 -13.170 13.891 1.362 1.00 2.88 H new ATOM 203 N ILE A 15 -6.347 9.704 -0.643 1.00 0.36 N ATOM 204 CA ILE A 15 -5.964 8.503 -1.380 1.00 0.34 C ATOM 205 C ILE A 15 -5.409 7.414 -0.453 1.00 0.31 C ATOM 206 O ILE A 15 -5.614 6.229 -0.717 1.00 0.33 O ATOM 207 CB ILE A 15 -4.980 8.828 -2.506 1.00 0.32 C ATOM 208 CG1 ILE A 15 -3.657 9.292 -1.889 1.00 0.27 C ATOM 209 CG2 ILE A 15 -5.605 9.820 -3.491 1.00 0.38 C ATOM 210 CD1 ILE A 15 -2.938 10.414 -2.615 1.00 0.38 C ATOM 0 H ILE A 15 -5.830 10.546 -0.897 1.00 0.36 H new ATOM 0 HA ILE A 15 -6.871 8.106 -1.836 1.00 0.34 H new ATOM 0 HB ILE A 15 -4.755 7.942 -3.100 1.00 0.32 H new ATOM 0 HG12 ILE A 15 -3.850 9.614 -0.866 1.00 0.27 H new ATOM 0 HG13 ILE A 15 -2.986 8.435 -1.832 1.00 0.27 H new ATOM 0 HG21 ILE A 15 -4.893 10.041 -4.286 1.00 0.38 H new ATOM 0 HG22 ILE A 15 -6.507 9.385 -3.922 1.00 0.38 H new ATOM 0 HG23 ILE A 15 -5.861 10.741 -2.967 1.00 0.38 H new ATOM 0 HD11 ILE A 15 -2.016 10.657 -2.087 1.00 0.38 H new ATOM 0 HD12 ILE A 15 -2.702 10.097 -3.631 1.00 0.38 H new ATOM 0 HD13 ILE A 15 -3.579 11.295 -2.649 1.00 0.38 H new ATOM 222 N HIS A 16 -4.693 7.790 0.615 1.00 0.28 N ATOM 223 CA HIS A 16 -4.164 6.826 1.570 1.00 0.28 C ATOM 224 C HIS A 16 -5.359 6.072 2.162 1.00 0.33 C ATOM 225 O HIS A 16 -5.445 4.847 2.091 1.00 0.33 O ATOM 226 CB HIS A 16 -3.313 7.564 2.627 1.00 0.33 C ATOM 227 CG HIS A 16 -2.760 6.748 3.780 1.00 0.35 C ATOM 228 ND1 HIS A 16 -1.417 6.551 4.065 1.00 0.45 N ATOM 229 CD2 HIS A 16 -3.479 6.295 4.855 1.00 0.50 C ATOM 230 CE1 HIS A 16 -1.330 5.988 5.288 1.00 0.49 C ATOM 231 NE2 HIS A 16 -2.569 5.816 5.785 1.00 0.55 N ATOM 0 H HIS A 16 -4.470 8.761 0.834 1.00 0.28 H new ATOM 0 HA HIS A 16 -3.499 6.099 1.104 1.00 0.28 H new ATOM 0 HB2 HIS A 16 -2.473 8.032 2.114 1.00 0.33 H new ATOM 0 HB3 HIS A 16 -3.920 8.367 3.045 1.00 0.33 H new ATOM 0 HD2 HIS A 16 -4.554 6.309 4.959 1.00 0.50 H new ATOM 0 HE1 HIS A 16 -0.412 5.718 5.789 1.00 0.49 H new ATOM 0 HE2 HIS A 16 -2.799 5.404 6.690 1.00 0.55 H new ATOM 240 N GLU A 17 -6.311 6.812 2.724 1.00 0.39 N ATOM 241 CA GLU A 17 -7.526 6.271 3.309 1.00 0.44 C ATOM 242 C GLU A 17 -8.316 5.438 2.306 1.00 0.46 C ATOM 243 O GLU A 17 -8.834 4.398 2.690 1.00 0.49 O ATOM 244 CB GLU A 17 -8.379 7.398 3.898 1.00 0.49 C ATOM 245 CG GLU A 17 -7.829 7.782 5.273 1.00 0.62 C ATOM 246 CD GLU A 17 -8.628 8.933 5.882 1.00 1.08 C ATOM 247 OE1 GLU A 17 -9.645 8.629 6.541 1.00 1.94 O ATOM 248 OE2 GLU A 17 -8.205 10.091 5.678 1.00 1.91 O ATOM 0 H GLU A 17 -6.254 7.829 2.785 1.00 0.39 H new ATOM 0 HA GLU A 17 -7.240 5.599 4.118 1.00 0.44 H new ATOM 0 HB2 GLU A 17 -8.368 8.263 3.235 1.00 0.49 H new ATOM 0 HB3 GLU A 17 -9.417 7.077 3.985 1.00 0.49 H new ATOM 0 HG2 GLU A 17 -7.865 6.918 5.937 1.00 0.62 H new ATOM 0 HG3 GLU A 17 -6.782 8.070 5.182 1.00 0.62 H new ATOM 255 N PHE A 18 -8.384 5.835 1.033 1.00 0.46 N ATOM 256 CA PHE A 18 -9.048 5.058 -0.007 1.00 0.52 C ATOM 257 C PHE A 18 -8.469 3.656 -0.045 1.00 0.47 C ATOM 258 O PHE A 18 -9.229 2.693 -0.021 1.00 0.50 O ATOM 259 CB PHE A 18 -8.919 5.727 -1.383 1.00 0.59 C ATOM 260 CG PHE A 18 -10.168 6.440 -1.857 1.00 0.90 C ATOM 261 CD1 PHE A 18 -10.453 7.747 -1.422 1.00 2.42 C ATOM 262 CD2 PHE A 18 -11.049 5.796 -2.746 1.00 1.52 C ATOM 263 CE1 PHE A 18 -11.600 8.412 -1.884 1.00 3.08 C ATOM 264 CE2 PHE A 18 -12.196 6.462 -3.212 1.00 1.86 C ATOM 265 CZ PHE A 18 -12.470 7.773 -2.784 1.00 2.36 C ATOM 0 H PHE A 18 -7.977 6.708 0.697 1.00 0.46 H new ATOM 0 HA PHE A 18 -10.110 5.007 0.233 1.00 0.52 H new ATOM 0 HB2 PHE A 18 -8.098 6.444 -1.348 1.00 0.59 H new ATOM 0 HB3 PHE A 18 -8.649 4.968 -2.117 1.00 0.59 H new ATOM 0 HD1 PHE A 18 -9.787 8.241 -0.730 1.00 2.42 H new ATOM 0 HD2 PHE A 18 -10.843 4.787 -3.071 1.00 1.52 H new ATOM 0 HE1 PHE A 18 -11.814 9.416 -1.547 1.00 3.08 H new ATOM 0 HE2 PHE A 18 -12.867 5.967 -3.899 1.00 1.86 H new ATOM 0 HZ PHE A 18 -13.347 8.288 -3.146 1.00 2.36 H new ATOM 275 N GLY A 19 -7.142 3.525 -0.075 1.00 0.42 N ATOM 276 CA GLY A 19 -6.511 2.216 -0.001 1.00 0.41 C ATOM 277 C GLY A 19 -7.069 1.411 1.168 1.00 0.38 C ATOM 278 O GLY A 19 -7.433 0.247 1.024 1.00 0.40 O ATOM 0 H GLY A 19 -6.491 4.307 -0.150 1.00 0.42 H new ATOM 0 HA2 GLY A 19 -6.676 1.675 -0.933 1.00 0.41 H new ATOM 0 HA3 GLY A 19 -5.433 2.333 0.114 1.00 0.41 H new ATOM 282 N HIS A 20 -7.183 2.045 2.334 1.00 0.36 N ATOM 283 CA HIS A 20 -7.710 1.396 3.520 1.00 0.37 C ATOM 284 C HIS A 20 -9.160 0.950 3.326 1.00 0.38 C ATOM 285 O HIS A 20 -9.513 -0.163 3.696 1.00 0.41 O ATOM 286 CB HIS A 20 -7.553 2.340 4.721 1.00 0.46 C ATOM 287 CG HIS A 20 -7.375 1.611 6.023 1.00 0.56 C ATOM 288 ND1 HIS A 20 -8.168 0.604 6.494 1.00 0.54 N flip ATOM 289 CD2 HIS A 20 -6.354 1.822 6.928 1.00 1.65 C flip ATOM 290 CE1 HIS A 20 -7.633 0.211 7.705 1.00 0.86 C flip ATOM 291 NE2 HIS A 20 -6.537 0.963 7.946 1.00 1.79 N flip ATOM 0 H HIS A 20 -6.912 3.018 2.477 1.00 0.36 H new ATOM 0 HA HIS A 20 -7.140 0.487 3.711 1.00 0.37 H new ATOM 0 HB2 HIS A 20 -6.694 2.990 4.555 1.00 0.46 H new ATOM 0 HB3 HIS A 20 -8.431 2.983 4.788 1.00 0.46 H new ATOM 0 HD2 HIS A 20 -5.556 2.544 6.835 1.00 1.65 H new ATOM 0 HE1 HIS A 20 -8.023 -0.564 8.348 1.00 0.86 H new ATOM 0 HE2 HIS A 20 -5.942 0.891 8.771 1.00 1.79 H new ATOM 300 N ALA A 21 -10.022 1.797 2.771 1.00 0.43 N ATOM 301 CA ALA A 21 -11.414 1.444 2.546 1.00 0.51 C ATOM 302 C ALA A 21 -11.513 0.301 1.533 1.00 0.50 C ATOM 303 O ALA A 21 -12.450 -0.490 1.571 1.00 0.55 O ATOM 304 CB ALA A 21 -12.189 2.679 2.083 1.00 0.61 C ATOM 0 H ALA A 21 -9.775 2.739 2.468 1.00 0.43 H new ATOM 0 HA ALA A 21 -11.859 1.095 3.478 1.00 0.51 H new ATOM 0 HB1 ALA A 21 -13.232 2.412 1.915 1.00 0.61 H new ATOM 0 HB2 ALA A 21 -12.131 3.453 2.848 1.00 0.61 H new ATOM 0 HB3 ALA A 21 -11.756 3.053 1.155 1.00 0.61 H new ATOM 310 N VAL A 22 -10.549 0.177 0.622 1.00 0.49 N ATOM 311 CA VAL A 22 -10.566 -0.946 -0.306 1.00 0.54 C ATOM 312 C VAL A 22 -10.216 -2.232 0.437 1.00 0.49 C ATOM 313 O VAL A 22 -10.823 -3.275 0.191 1.00 0.55 O ATOM 314 CB VAL A 22 -9.640 -0.667 -1.504 1.00 0.62 C ATOM 315 CG1 VAL A 22 -9.611 -1.844 -2.485 1.00 0.70 C ATOM 316 CG2 VAL A 22 -10.094 0.566 -2.299 1.00 0.72 C ATOM 0 H VAL A 22 -9.767 0.822 0.509 1.00 0.49 H new ATOM 0 HA VAL A 22 -11.567 -1.076 -0.717 1.00 0.54 H new ATOM 0 HB VAL A 22 -8.651 -0.502 -1.076 1.00 0.62 H new ATOM 0 HG11 VAL A 22 -8.947 -1.608 -3.316 1.00 0.70 H new ATOM 0 HG12 VAL A 22 -9.249 -2.736 -1.973 1.00 0.70 H new ATOM 0 HG13 VAL A 22 -10.616 -2.026 -2.864 1.00 0.70 H new ATOM 0 HG21 VAL A 22 -9.415 0.730 -3.136 1.00 0.72 H new ATOM 0 HG22 VAL A 22 -11.103 0.404 -2.677 1.00 0.72 H new ATOM 0 HG23 VAL A 22 -10.086 1.441 -1.649 1.00 0.72 H new ATOM 326 N ASP A 23 -9.288 -2.146 1.391 1.00 0.43 N ATOM 327 CA ASP A 23 -8.961 -3.253 2.282 1.00 0.46 C ATOM 328 C ASP A 23 -10.198 -3.739 3.033 1.00 0.41 C ATOM 329 O ASP A 23 -10.318 -4.917 3.368 1.00 0.45 O ATOM 330 CB ASP A 23 -7.873 -2.814 3.271 1.00 0.53 C ATOM 331 CG ASP A 23 -7.064 -4.000 3.782 1.00 0.85 C ATOM 332 OD1 ASP A 23 -6.486 -4.692 2.919 1.00 1.42 O ATOM 333 OD2 ASP A 23 -7.014 -4.181 5.019 1.00 2.23 O ATOM 0 H ASP A 23 -8.742 -1.302 1.566 1.00 0.43 H new ATOM 0 HA ASP A 23 -8.589 -4.083 1.682 1.00 0.46 H new ATOM 0 HB2 ASP A 23 -7.207 -2.101 2.786 1.00 0.53 H new ATOM 0 HB3 ASP A 23 -8.334 -2.298 4.113 1.00 0.53 H new ATOM 338 N ASP A 24 -11.131 -2.817 3.283 1.00 0.41 N ATOM 339 CA ASP A 24 -12.336 -3.084 4.048 1.00 0.48 C ATOM 340 C ASP A 24 -13.232 -4.014 3.246 1.00 0.52 C ATOM 341 O ASP A 24 -13.654 -5.063 3.724 1.00 0.56 O ATOM 342 CB ASP A 24 -13.069 -1.786 4.398 1.00 0.63 C ATOM 343 CG ASP A 24 -14.181 -2.047 5.405 1.00 0.94 C ATOM 344 OD1 ASP A 24 -13.825 -2.253 6.584 1.00 2.03 O ATOM 345 OD2 ASP A 24 -15.359 -2.008 4.986 1.00 2.13 O ATOM 0 H ASP A 24 -11.063 -1.854 2.953 1.00 0.41 H new ATOM 0 HA ASP A 24 -12.064 -3.562 4.989 1.00 0.48 H new ATOM 0 HB2 ASP A 24 -12.363 -1.064 4.808 1.00 0.63 H new ATOM 0 HB3 ASP A 24 -13.488 -1.344 3.494 1.00 0.63 H new ATOM 350 N TYR A 25 -13.468 -3.657 1.981 1.00 0.60 N ATOM 351 CA TYR A 25 -14.265 -4.472 1.077 1.00 0.75 C ATOM 352 C TYR A 25 -13.657 -5.862 0.935 1.00 0.76 C ATOM 353 O TYR A 25 -14.367 -6.863 0.994 1.00 0.85 O ATOM 354 CB TYR A 25 -14.383 -3.784 -0.283 1.00 0.91 C ATOM 355 CG TYR A 25 -15.438 -4.428 -1.153 1.00 1.30 C ATOM 356 CD1 TYR A 25 -16.794 -4.229 -0.839 1.00 1.23 C ATOM 357 CD2 TYR A 25 -15.078 -5.239 -2.246 1.00 2.57 C ATOM 358 CE1 TYR A 25 -17.795 -4.820 -1.626 1.00 1.40 C ATOM 359 CE2 TYR A 25 -16.076 -5.831 -3.042 1.00 3.10 C ATOM 360 CZ TYR A 25 -17.441 -5.620 -2.736 1.00 2.27 C ATOM 361 OH TYR A 25 -18.421 -6.197 -3.486 1.00 2.77 O ATOM 0 H TYR A 25 -13.112 -2.798 1.562 1.00 0.60 H new ATOM 0 HA TYR A 25 -15.266 -4.585 1.493 1.00 0.75 H new ATOM 0 HB2 TYR A 25 -14.626 -2.732 -0.137 1.00 0.91 H new ATOM 0 HB3 TYR A 25 -13.420 -3.821 -0.793 1.00 0.91 H new ATOM 0 HD1 TYR A 25 -17.066 -3.620 0.010 1.00 1.23 H new ATOM 0 HD2 TYR A 25 -14.036 -5.407 -2.474 1.00 2.57 H new ATOM 0 HE1 TYR A 25 -18.836 -4.663 -1.383 1.00 1.40 H new ATOM 0 HE2 TYR A 25 -15.800 -6.446 -3.886 1.00 3.10 H new ATOM 0 HH TYR A 25 -18.015 -6.714 -4.213 1.00 2.77 H new ATOM 371 N ALA A 26 -12.339 -5.938 0.752 1.00 0.76 N ATOM 372 CA ALA A 26 -11.659 -7.221 0.675 1.00 0.88 C ATOM 373 C ALA A 26 -11.896 -8.052 1.937 1.00 0.82 C ATOM 374 O ALA A 26 -12.033 -9.265 1.838 1.00 0.95 O ATOM 375 CB ALA A 26 -10.175 -7.004 0.392 1.00 0.99 C ATOM 0 H ALA A 26 -11.727 -5.128 0.655 1.00 0.76 H new ATOM 0 HA ALA A 26 -12.077 -7.795 -0.152 1.00 0.88 H new ATOM 0 HB1 ALA A 26 -9.671 -7.969 0.335 1.00 0.99 H new ATOM 0 HB2 ALA A 26 -10.058 -6.477 -0.555 1.00 0.99 H new ATOM 0 HB3 ALA A 26 -9.735 -6.411 1.193 1.00 0.99 H new ATOM 381 N GLY A 27 -11.972 -7.422 3.109 1.00 0.69 N ATOM 382 CA GLY A 27 -12.278 -8.111 4.351 1.00 0.75 C ATOM 383 C GLY A 27 -13.670 -8.712 4.275 1.00 0.82 C ATOM 384 O GLY A 27 -13.839 -9.925 4.335 1.00 1.22 O ATOM 0 H GLY A 27 -11.822 -6.419 3.218 1.00 0.69 H new ATOM 0 HA2 GLY A 27 -11.543 -8.895 4.534 1.00 0.75 H new ATOM 0 HA3 GLY A 27 -12.217 -7.416 5.188 1.00 0.75 H new ATOM 388 N TYR A 28 -14.664 -7.840 4.111 1.00 0.73 N ATOM 389 CA TYR A 28 -16.079 -8.174 4.133 1.00 0.85 C ATOM 390 C TYR A 28 -16.382 -9.347 3.198 1.00 0.94 C ATOM 391 O TYR A 28 -17.057 -10.301 3.577 1.00 1.09 O ATOM 392 CB TYR A 28 -16.894 -6.917 3.779 1.00 0.91 C ATOM 393 CG TYR A 28 -18.050 -6.659 4.720 1.00 1.10 C ATOM 394 CD1 TYR A 28 -19.250 -7.379 4.583 1.00 1.30 C ATOM 395 CD2 TYR A 28 -17.916 -5.697 5.740 1.00 1.31 C ATOM 396 CE1 TYR A 28 -20.323 -7.128 5.457 1.00 1.55 C ATOM 397 CE2 TYR A 28 -18.982 -5.446 6.621 1.00 1.62 C ATOM 398 CZ TYR A 28 -20.194 -6.161 6.479 1.00 1.69 C ATOM 399 OH TYR A 28 -21.239 -5.925 7.320 1.00 2.03 O ATOM 0 H TYR A 28 -14.495 -6.846 3.954 1.00 0.73 H new ATOM 0 HA TYR A 28 -16.366 -8.501 5.133 1.00 0.85 H new ATOM 0 HB2 TYR A 28 -16.232 -6.051 3.785 1.00 0.91 H new ATOM 0 HB3 TYR A 28 -17.278 -7.017 2.764 1.00 0.91 H new ATOM 0 HD1 TYR A 28 -19.348 -8.124 3.807 1.00 1.30 H new ATOM 0 HD2 TYR A 28 -16.991 -5.150 5.846 1.00 1.31 H new ATOM 0 HE1 TYR A 28 -21.247 -7.676 5.347 1.00 1.55 H new ATOM 0 HE2 TYR A 28 -18.876 -4.710 7.404 1.00 1.62 H new ATOM 0 HH TYR A 28 -20.989 -5.233 7.967 1.00 2.03 H new ATOM 409 N LEU A 29 -15.914 -9.265 1.952 1.00 0.92 N ATOM 410 CA LEU A 29 -16.197 -10.254 0.929 1.00 1.09 C ATOM 411 C LEU A 29 -15.386 -11.521 1.096 1.00 1.18 C ATOM 412 O LEU A 29 -15.867 -12.588 0.723 1.00 1.34 O ATOM 413 CB LEU A 29 -15.921 -9.658 -0.452 1.00 1.16 C ATOM 414 CG LEU A 29 -17.055 -8.748 -0.953 1.00 1.22 C ATOM 415 CD1 LEU A 29 -18.303 -9.590 -1.193 1.00 1.39 C ATOM 416 CD2 LEU A 29 -17.496 -7.638 -0.001 1.00 1.13 C ATOM 0 H LEU A 29 -15.322 -8.500 1.628 1.00 0.92 H new ATOM 0 HA LEU A 29 -17.248 -10.524 1.030 1.00 1.09 H new ATOM 0 HB2 LEU A 29 -14.994 -9.087 -0.416 1.00 1.16 H new ATOM 0 HB3 LEU A 29 -15.769 -10.467 -1.167 1.00 1.16 H new ATOM 0 HG LEU A 29 -16.639 -8.278 -1.844 1.00 1.22 H new ATOM 0 HD11 LEU A 29 -19.111 -8.950 -1.548 1.00 1.39 H new ATOM 0 HD12 LEU A 29 -18.089 -10.353 -1.941 1.00 1.39 H new ATOM 0 HD13 LEU A 29 -18.603 -10.069 -0.261 1.00 1.39 H new ATOM 0 HD21 LEU A 29 -18.299 -7.062 -0.461 1.00 1.13 H new ATOM 0 HD22 LEU A 29 -17.852 -8.078 0.931 1.00 1.13 H new ATOM 0 HD23 LEU A 29 -16.652 -6.981 0.207 1.00 1.13 H new ATOM 428 N LEU A 30 -14.149 -11.424 1.581 1.00 1.14 N ATOM 429 CA LEU A 30 -13.257 -12.573 1.585 1.00 1.32 C ATOM 430 C LEU A 30 -12.997 -12.990 3.028 1.00 1.48 C ATOM 431 O LEU A 30 -11.911 -13.474 3.345 1.00 2.31 O ATOM 432 CB LEU A 30 -11.966 -12.264 0.811 1.00 1.35 C ATOM 433 CG LEU A 30 -12.244 -11.803 -0.631 1.00 1.41 C ATOM 434 CD1 LEU A 30 -11.099 -10.930 -1.138 1.00 1.47 C ATOM 435 CD2 LEU A 30 -12.424 -13.005 -1.562 1.00 1.62 C ATOM 0 H LEU A 30 -13.749 -10.571 1.971 1.00 1.14 H new ATOM 0 HA LEU A 30 -13.722 -13.413 1.070 1.00 1.32 H new ATOM 0 HB2 LEU A 30 -11.407 -11.489 1.336 1.00 1.35 H new ATOM 0 HB3 LEU A 30 -11.336 -13.153 0.790 1.00 1.35 H new ATOM 0 HG LEU A 30 -13.166 -11.222 -0.627 1.00 1.41 H new ATOM 0 HD11 LEU A 30 -11.309 -10.611 -2.159 1.00 1.47 H new ATOM 0 HD12 LEU A 30 -10.999 -10.054 -0.498 1.00 1.47 H new ATOM 0 HD13 LEU A 30 -10.171 -11.501 -1.120 1.00 1.47 H new ATOM 0 HD21 LEU A 30 -12.619 -12.654 -2.575 1.00 1.62 H new ATOM 0 HD22 LEU A 30 -11.517 -13.609 -1.556 1.00 1.62 H new ATOM 0 HD23 LEU A 30 -13.264 -13.609 -1.219 1.00 1.62 H new ATOM 447 N ASP A 31 -14.002 -12.809 3.889 1.00 2.13 N ATOM 448 CA ASP A 31 -13.946 -13.154 5.298 1.00 2.46 C ATOM 449 C ASP A 31 -13.613 -14.641 5.430 1.00 2.21 C ATOM 450 O ASP A 31 -14.184 -15.476 4.727 1.00 3.22 O ATOM 451 CB ASP A 31 -15.281 -12.800 5.968 1.00 4.15 C ATOM 452 CG ASP A 31 -15.228 -12.987 7.484 1.00 5.09 C ATOM 453 OD1 ASP A 31 -14.180 -13.469 7.968 1.00 5.12 O ATOM 454 OD2 ASP A 31 -16.242 -12.656 8.136 1.00 6.26 O ATOM 0 H ASP A 31 -14.897 -12.407 3.611 1.00 2.13 H new ATOM 0 HA ASP A 31 -13.166 -12.585 5.804 1.00 2.46 H new ATOM 0 HB2 ASP A 31 -15.539 -11.766 5.739 1.00 4.15 H new ATOM 0 HB3 ASP A 31 -16.072 -13.425 5.553 1.00 4.15 H new ATOM 459 N LYS A 32 -12.636 -14.961 6.282 1.00 2.39 N ATOM 460 CA LYS A 32 -12.103 -16.308 6.466 1.00 3.67 C ATOM 461 C LYS A 32 -11.060 -16.307 7.568 1.00 4.29 C ATOM 462 O LYS A 32 -10.998 -17.232 8.373 1.00 5.01 O ATOM 463 CB LYS A 32 -11.496 -16.868 5.167 1.00 4.62 C ATOM 464 CG LYS A 32 -10.297 -16.072 4.618 1.00 5.76 C ATOM 465 CD LYS A 32 -10.044 -16.441 3.154 1.00 6.91 C ATOM 466 CE LYS A 32 -9.549 -17.890 3.060 1.00 7.88 C ATOM 467 NZ LYS A 32 -10.006 -18.553 1.821 1.00 8.84 N ATOM 0 H LYS A 32 -12.183 -14.269 6.879 1.00 2.39 H new ATOM 0 HA LYS A 32 -12.933 -16.956 6.748 1.00 3.67 H new ATOM 0 HB2 LYS A 32 -11.181 -17.896 5.344 1.00 4.62 H new ATOM 0 HB3 LYS A 32 -12.273 -16.900 4.404 1.00 4.62 H new ATOM 0 HG2 LYS A 32 -10.491 -15.003 4.703 1.00 5.76 H new ATOM 0 HG3 LYS A 32 -9.408 -16.283 5.213 1.00 5.76 H new ATOM 0 HD2 LYS A 32 -10.961 -16.322 2.576 1.00 6.91 H new ATOM 0 HD3 LYS A 32 -9.305 -15.766 2.722 1.00 6.91 H new ATOM 0 HE2 LYS A 32 -8.460 -17.904 3.098 1.00 7.88 H new ATOM 0 HE3 LYS A 32 -9.905 -18.451 3.924 1.00 7.88 H new ATOM 0 HZ1 LYS A 32 -9.649 -19.530 1.798 1.00 8.84 H new ATOM 0 HZ2 LYS A 32 -11.046 -18.563 1.796 1.00 8.84 H new ATOM 0 HZ3 LYS A 32 -9.645 -18.033 0.996 1.00 8.84 H new ATOM 481 N ASN A 33 -10.179 -15.306 7.556 1.00 4.66 N ATOM 482 CA ASN A 33 -9.207 -15.150 8.619 1.00 5.47 C ATOM 483 C ASN A 33 -9.929 -14.603 9.845 1.00 4.84 C ATOM 484 O ASN A 33 -11.035 -14.092 9.728 1.00 4.37 O ATOM 485 CB ASN A 33 -8.066 -14.225 8.169 1.00 6.38 C ATOM 486 CG ASN A 33 -6.742 -14.943 8.354 1.00 7.93 C ATOM 487 OD1 ASN A 33 -6.325 -15.164 9.483 1.00 8.39 O ATOM 488 ND2 ASN A 33 -6.102 -15.361 7.269 1.00 9.12 N ATOM 0 H ASN A 33 -10.125 -14.599 6.823 1.00 4.66 H new ATOM 0 HA ASN A 33 -8.755 -16.110 8.869 1.00 5.47 H new ATOM 0 HB2 ASN A 33 -8.199 -13.945 7.124 1.00 6.38 H new ATOM 0 HB3 ASN A 33 -8.078 -13.303 8.750 1.00 6.38 H new ATOM 0 HD21 ASN A 33 -5.232 -15.885 7.360 1.00 9.12 H new ATOM 0 HD22 ASN A 33 -6.480 -15.158 6.344 1.00 9.12 H new ATOM 495 N GLN A 34 -9.304 -14.676 11.021 1.00 5.47 N ATOM 496 CA GLN A 34 -9.877 -14.029 12.200 1.00 5.34 C ATOM 497 C GLN A 34 -9.867 -12.506 12.023 1.00 4.46 C ATOM 498 O GLN A 34 -10.688 -11.804 12.605 1.00 4.47 O ATOM 499 CB GLN A 34 -9.120 -14.465 13.466 1.00 6.44 C ATOM 500 CG GLN A 34 -10.011 -15.281 14.413 1.00 7.21 C ATOM 501 CD GLN A 34 -11.035 -14.410 15.137 1.00 6.91 C ATOM 502 OE1 GLN A 34 -10.675 -13.527 15.903 1.00 7.01 O ATOM 503 NE2 GLN A 34 -12.324 -14.656 14.941 1.00 7.29 N ATOM 0 H GLN A 34 -8.423 -15.164 11.181 1.00 5.47 H new ATOM 0 HA GLN A 34 -10.915 -14.341 12.315 1.00 5.34 H new ATOM 0 HB2 GLN A 34 -8.251 -15.059 13.183 1.00 6.44 H new ATOM 0 HB3 GLN A 34 -8.747 -13.584 13.988 1.00 6.44 H new ATOM 0 HG2 GLN A 34 -10.530 -16.053 13.845 1.00 7.21 H new ATOM 0 HG3 GLN A 34 -9.387 -15.791 15.147 1.00 7.21 H new ATOM 0 HE21 GLN A 34 -12.610 -15.395 14.299 1.00 7.29 H new ATOM 0 HE22 GLN A 34 -13.029 -14.106 15.432 1.00 7.29 H new ATOM 512 N SER A 35 -8.917 -11.993 11.238 1.00 4.33 N ATOM 513 CA SER A 35 -8.780 -10.584 10.928 1.00 3.95 C ATOM 514 C SER A 35 -10.025 -10.024 10.235 1.00 3.02 C ATOM 515 O SER A 35 -10.515 -10.605 9.273 1.00 3.69 O ATOM 516 CB SER A 35 -7.579 -10.410 10.001 1.00 5.06 C ATOM 517 OG SER A 35 -6.490 -11.211 10.417 1.00 6.21 O ATOM 0 H SER A 35 -8.205 -12.571 10.791 1.00 4.33 H new ATOM 0 HA SER A 35 -8.646 -10.040 11.863 1.00 3.95 H new ATOM 0 HB2 SER A 35 -7.861 -10.676 8.982 1.00 5.06 H new ATOM 0 HB3 SER A 35 -7.278 -9.363 9.985 1.00 5.06 H new ATOM 0 HG SER A 35 -5.701 -10.996 9.878 1.00 6.21 H new ATOM 523 N ASP A 36 -10.484 -8.857 10.691 1.00 2.45 N ATOM 524 CA ASP A 36 -11.654 -8.155 10.165 1.00 2.64 C ATOM 525 C ASP A 36 -11.435 -7.625 8.740 1.00 2.28 C ATOM 526 O ASP A 36 -12.387 -7.442 7.986 1.00 3.22 O ATOM 527 CB ASP A 36 -11.972 -7.016 11.139 1.00 3.69 C ATOM 528 CG ASP A 36 -13.269 -6.286 10.807 1.00 4.76 C ATOM 529 OD1 ASP A 36 -14.326 -6.951 10.857 1.00 5.61 O ATOM 530 OD2 ASP A 36 -13.185 -5.055 10.601 1.00 5.52 O ATOM 0 H ASP A 36 -10.037 -8.360 11.461 1.00 2.45 H new ATOM 0 HA ASP A 36 -12.492 -8.848 10.088 1.00 2.64 H new ATOM 0 HB2 ASP A 36 -12.038 -7.419 12.150 1.00 3.69 H new ATOM 0 HB3 ASP A 36 -11.149 -6.301 11.134 1.00 3.69 H new ATOM 535 N LEU A 37 -10.177 -7.397 8.345 1.00 1.85 N ATOM 536 CA LEU A 37 -9.821 -6.990 6.990 1.00 1.44 C ATOM 537 C LEU A 37 -8.938 -8.077 6.380 1.00 1.45 C ATOM 538 O LEU A 37 -8.520 -9.000 7.077 1.00 1.69 O ATOM 539 CB LEU A 37 -9.130 -5.614 6.951 1.00 1.27 C ATOM 540 CG LEU A 37 -9.914 -4.476 7.627 1.00 1.45 C ATOM 541 CD1 LEU A 37 -9.522 -4.323 9.102 1.00 1.96 C ATOM 542 CD2 LEU A 37 -9.604 -3.142 6.939 1.00 1.69 C ATOM 0 H LEU A 37 -9.374 -7.492 8.966 1.00 1.85 H new ATOM 0 HA LEU A 37 -10.732 -6.877 6.403 1.00 1.44 H new ATOM 0 HB2 LEU A 37 -8.155 -5.699 7.431 1.00 1.27 H new ATOM 0 HB3 LEU A 37 -8.950 -5.343 5.911 1.00 1.27 H new ATOM 0 HG LEU A 37 -10.971 -4.728 7.547 1.00 1.45 H new ATOM 0 HD11 LEU A 37 -10.095 -3.510 9.548 1.00 1.96 H new ATOM 0 HD12 LEU A 37 -9.734 -5.251 9.633 1.00 1.96 H new ATOM 0 HD13 LEU A 37 -8.458 -4.099 9.174 1.00 1.96 H new ATOM 0 HD21 LEU A 37 -10.164 -2.343 7.425 1.00 1.69 H new ATOM 0 HD22 LEU A 37 -8.537 -2.934 7.013 1.00 1.69 H new ATOM 0 HD23 LEU A 37 -9.891 -3.199 5.889 1.00 1.69 H new ATOM 554 N VAL A 38 -8.575 -7.958 5.099 1.00 1.33 N ATOM 555 CA VAL A 38 -7.782 -8.976 4.398 1.00 1.45 C ATOM 556 C VAL A 38 -6.302 -9.015 4.863 1.00 1.78 C ATOM 557 O VAL A 38 -5.482 -9.737 4.289 1.00 2.32 O ATOM 558 CB VAL A 38 -7.995 -8.790 2.876 1.00 1.35 C ATOM 559 CG1 VAL A 38 -7.413 -7.475 2.361 1.00 1.65 C ATOM 560 CG2 VAL A 38 -7.456 -9.949 2.030 1.00 1.57 C ATOM 0 H VAL A 38 -8.821 -7.156 4.519 1.00 1.33 H new ATOM 0 HA VAL A 38 -8.132 -9.975 4.659 1.00 1.45 H new ATOM 0 HB VAL A 38 -9.079 -8.771 2.759 1.00 1.35 H new ATOM 0 HG11 VAL A 38 -7.589 -7.394 1.288 1.00 1.65 H new ATOM 0 HG12 VAL A 38 -7.893 -6.640 2.871 1.00 1.65 H new ATOM 0 HG13 VAL A 38 -6.341 -7.451 2.555 1.00 1.65 H new ATOM 0 HG21 VAL A 38 -7.642 -9.747 0.975 1.00 1.57 H new ATOM 0 HG22 VAL A 38 -6.384 -10.053 2.196 1.00 1.57 H new ATOM 0 HG23 VAL A 38 -7.959 -10.873 2.316 1.00 1.57 H new ATOM 570 N THR A 39 -5.968 -8.290 5.937 1.00 1.95 N ATOM 571 CA THR A 39 -4.679 -8.235 6.617 1.00 2.34 C ATOM 572 C THR A 39 -4.275 -9.626 7.132 1.00 2.81 C ATOM 573 O THR A 39 -4.527 -9.995 8.283 1.00 4.11 O ATOM 574 CB THR A 39 -4.763 -7.144 7.711 1.00 2.56 C ATOM 575 OG1 THR A 39 -3.553 -7.003 8.409 1.00 3.25 O ATOM 576 CG2 THR A 39 -5.844 -7.325 8.781 1.00 2.98 C ATOM 0 H THR A 39 -6.651 -7.679 6.385 1.00 1.95 H new ATOM 0 HA THR A 39 -3.878 -7.953 5.934 1.00 2.34 H new ATOM 0 HB THR A 39 -5.019 -6.266 7.118 1.00 2.56 H new ATOM 0 HG1 THR A 39 -3.647 -6.304 9.089 1.00 3.25 H new ATOM 0 HG21 THR A 39 -5.799 -6.496 9.488 1.00 2.98 H new ATOM 0 HG22 THR A 39 -6.825 -7.345 8.307 1.00 2.98 H new ATOM 0 HG23 THR A 39 -5.678 -8.263 9.311 1.00 2.98 H new ATOM 584 N ASN A 40 -3.659 -10.429 6.254 1.00 2.56 N ATOM 585 CA ASN A 40 -3.078 -11.740 6.546 1.00 3.17 C ATOM 586 C ASN A 40 -2.651 -12.466 5.272 1.00 2.45 C ATOM 587 O ASN A 40 -1.705 -13.250 5.309 1.00 3.11 O ATOM 588 CB ASN A 40 -4.037 -12.672 7.315 1.00 4.49 C ATOM 589 CG ASN A 40 -3.419 -13.122 8.630 1.00 5.38 C ATOM 590 OD1 ASN A 40 -3.030 -14.272 8.773 1.00 6.27 O ATOM 591 ND2 ASN A 40 -3.296 -12.226 9.598 1.00 5.66 N ATOM 0 H ASN A 40 -3.549 -10.166 5.275 1.00 2.56 H new ATOM 0 HA ASN A 40 -2.213 -11.525 7.173 1.00 3.17 H new ATOM 0 HB2 ASN A 40 -4.976 -12.154 7.509 1.00 4.49 H new ATOM 0 HB3 ASN A 40 -4.273 -13.542 6.703 1.00 4.49 H new ATOM 0 HD21 ASN A 40 -2.869 -12.490 10.486 1.00 5.66 H new ATOM 0 HD22 ASN A 40 -3.628 -11.272 9.455 1.00 5.66 H new ATOM 598 N SER A 41 -3.411 -12.305 4.185 1.00 1.98 N ATOM 599 CA SER A 41 -3.250 -13.155 3.010 1.00 2.17 C ATOM 600 C SER A 41 -1.923 -12.898 2.283 1.00 2.59 C ATOM 601 O SER A 41 -1.180 -11.977 2.616 1.00 3.39 O ATOM 602 CB SER A 41 -4.451 -12.971 2.077 1.00 2.73 C ATOM 603 OG SER A 41 -4.505 -14.029 1.137 1.00 3.74 O ATOM 0 H SER A 41 -4.140 -11.596 4.098 1.00 1.98 H new ATOM 0 HA SER A 41 -3.215 -14.193 3.341 1.00 2.17 H new ATOM 0 HB2 SER A 41 -5.372 -12.944 2.659 1.00 2.73 H new ATOM 0 HB3 SER A 41 -4.374 -12.016 1.557 1.00 2.73 H new ATOM 0 HG SER A 41 -5.277 -13.903 0.547 1.00 3.74 H new ATOM 609 N LYS A 42 -1.656 -13.728 1.265 1.00 2.97 N ATOM 610 CA LYS A 42 -0.382 -13.880 0.565 1.00 3.59 C ATOM 611 C LYS A 42 0.619 -14.553 1.507 1.00 3.12 C ATOM 612 O LYS A 42 1.223 -13.901 2.353 1.00 3.86 O ATOM 613 CB LYS A 42 0.137 -12.537 0.026 1.00 4.31 C ATOM 614 CG LYS A 42 1.177 -12.733 -1.087 1.00 5.66 C ATOM 615 CD LYS A 42 0.505 -12.818 -2.463 1.00 5.67 C ATOM 616 CE LYS A 42 1.532 -13.217 -3.527 1.00 6.76 C ATOM 617 NZ LYS A 42 0.961 -13.171 -4.893 1.00 7.04 N ATOM 0 H LYS A 42 -2.372 -14.348 0.888 1.00 2.97 H new ATOM 0 HA LYS A 42 -0.523 -14.513 -0.311 1.00 3.59 H new ATOM 0 HB2 LYS A 42 -0.699 -11.951 -0.357 1.00 4.31 H new ATOM 0 HB3 LYS A 42 0.580 -11.965 0.841 1.00 4.31 H new ATOM 0 HG2 LYS A 42 1.886 -11.905 -1.076 1.00 5.66 H new ATOM 0 HG3 LYS A 42 1.747 -13.643 -0.900 1.00 5.66 H new ATOM 0 HD2 LYS A 42 -0.305 -13.547 -2.436 1.00 5.67 H new ATOM 0 HD3 LYS A 42 0.060 -11.857 -2.719 1.00 5.67 H new ATOM 0 HE2 LYS A 42 2.391 -12.549 -3.470 1.00 6.76 H new ATOM 0 HE3 LYS A 42 1.897 -14.223 -3.320 1.00 6.76 H new ATOM 0 HZ1 LYS A 42 1.688 -13.448 -5.583 1.00 7.04 H new ATOM 0 HZ2 LYS A 42 0.157 -13.828 -4.955 1.00 7.04 H new ATOM 0 HZ3 LYS A 42 0.636 -12.205 -5.101 1.00 7.04 H new ATOM 631 N LYS A 43 0.796 -15.871 1.352 1.00 3.10 N ATOM 632 CA LYS A 43 1.489 -16.700 2.335 1.00 2.98 C ATOM 633 C LYS A 43 0.903 -16.397 3.717 1.00 2.42 C ATOM 634 O LYS A 43 -0.266 -16.711 3.924 1.00 3.47 O ATOM 635 CB LYS A 43 3.013 -16.528 2.224 1.00 3.64 C ATOM 636 CG LYS A 43 3.594 -17.102 0.924 1.00 4.37 C ATOM 637 CD LYS A 43 4.454 -18.345 1.184 1.00 5.38 C ATOM 638 CE LYS A 43 3.622 -19.466 1.817 1.00 6.17 C ATOM 639 NZ LYS A 43 4.400 -20.717 1.951 1.00 7.18 N ATOM 0 H LYS A 43 0.461 -16.389 0.540 1.00 3.10 H new ATOM 0 HA LYS A 43 1.327 -17.761 2.145 1.00 2.98 H new ATOM 0 HB2 LYS A 43 3.258 -15.468 2.287 1.00 3.64 H new ATOM 0 HB3 LYS A 43 3.490 -17.016 3.074 1.00 3.64 H new ATOM 0 HG2 LYS A 43 2.781 -17.358 0.245 1.00 4.37 H new ATOM 0 HG3 LYS A 43 4.196 -16.341 0.428 1.00 4.37 H new ATOM 0 HD2 LYS A 43 4.888 -18.694 0.247 1.00 5.38 H new ATOM 0 HD3 LYS A 43 5.283 -18.087 1.842 1.00 5.38 H new ATOM 0 HE2 LYS A 43 3.272 -19.149 2.799 1.00 6.17 H new ATOM 0 HE3 LYS A 43 2.738 -19.651 1.207 1.00 6.17 H new ATOM 0 HZ1 LYS A 43 3.804 -21.452 2.383 1.00 7.18 H new ATOM 0 HZ2 LYS A 43 4.713 -21.033 1.011 1.00 7.18 H new ATOM 0 HZ3 LYS A 43 5.230 -20.547 2.553 1.00 7.18 H new ATOM 653 N PHE A 44 1.660 -15.805 4.639 1.00 2.18 N ATOM 654 CA PHE A 44 1.163 -15.419 5.949 1.00 1.85 C ATOM 655 C PHE A 44 1.820 -14.093 6.332 1.00 1.44 C ATOM 656 O PHE A 44 2.906 -14.075 6.900 1.00 2.00 O ATOM 657 CB PHE A 44 1.456 -16.540 6.966 1.00 2.56 C ATOM 658 CG PHE A 44 0.221 -17.195 7.551 1.00 2.93 C ATOM 659 CD1 PHE A 44 -0.619 -16.460 8.407 1.00 3.58 C ATOM 660 CD2 PHE A 44 -0.071 -18.547 7.284 1.00 3.79 C ATOM 661 CE1 PHE A 44 -1.734 -17.073 9.001 1.00 4.45 C ATOM 662 CE2 PHE A 44 -1.189 -19.159 7.876 1.00 4.57 C ATOM 663 CZ PHE A 44 -2.021 -18.424 8.738 1.00 4.70 C ATOM 0 H PHE A 44 2.644 -15.580 4.492 1.00 2.18 H new ATOM 0 HA PHE A 44 0.082 -15.278 5.939 1.00 1.85 H new ATOM 0 HB2 PHE A 44 2.062 -17.305 6.480 1.00 2.56 H new ATOM 0 HB3 PHE A 44 2.054 -16.128 7.779 1.00 2.56 H new ATOM 0 HD1 PHE A 44 -0.406 -15.421 8.608 1.00 3.58 H new ATOM 0 HD2 PHE A 44 0.566 -19.115 6.622 1.00 3.79 H new ATOM 0 HE1 PHE A 44 -2.373 -16.505 9.661 1.00 4.45 H new ATOM 0 HE2 PHE A 44 -1.409 -20.196 7.668 1.00 4.57 H new ATOM 0 HZ PHE A 44 -2.878 -18.895 9.197 1.00 4.70 H new ATOM 673 N ILE A 45 1.158 -12.971 6.017 1.00 1.05 N ATOM 674 CA ILE A 45 1.564 -11.597 6.337 1.00 1.11 C ATOM 675 C ILE A 45 3.031 -11.280 5.954 1.00 1.16 C ATOM 676 O ILE A 45 3.621 -10.305 6.422 1.00 2.33 O ATOM 677 CB ILE A 45 1.128 -11.258 7.790 1.00 1.47 C ATOM 678 CG1 ILE A 45 1.359 -9.779 8.145 1.00 2.34 C ATOM 679 CG2 ILE A 45 1.762 -12.159 8.864 1.00 1.95 C ATOM 680 CD1 ILE A 45 0.418 -9.280 9.249 1.00 2.92 C ATOM 0 H ILE A 45 0.277 -13.000 5.504 1.00 1.05 H new ATOM 0 HA ILE A 45 1.031 -10.896 5.695 1.00 1.11 H new ATOM 0 HB ILE A 45 0.057 -11.458 7.798 1.00 1.47 H new ATOM 0 HG12 ILE A 45 2.392 -9.644 8.466 1.00 2.34 H new ATOM 0 HG13 ILE A 45 1.220 -9.169 7.252 1.00 2.34 H new ATOM 0 HG21 ILE A 45 1.406 -11.857 9.849 1.00 1.95 H new ATOM 0 HG22 ILE A 45 1.483 -13.196 8.680 1.00 1.95 H new ATOM 0 HG23 ILE A 45 2.847 -12.063 8.825 1.00 1.95 H new ATOM 0 HD11 ILE A 45 0.626 -8.231 9.458 1.00 2.92 H new ATOM 0 HD12 ILE A 45 -0.616 -9.386 8.921 1.00 2.92 H new ATOM 0 HD13 ILE A 45 0.574 -9.868 10.153 1.00 2.92 H new ATOM 692 N ASP A 46 3.617 -12.051 5.032 1.00 0.82 N ATOM 693 CA ASP A 46 5.045 -12.001 4.720 1.00 0.57 C ATOM 694 C ASP A 46 5.431 -10.659 4.111 1.00 0.49 C ATOM 695 O ASP A 46 6.446 -10.065 4.474 1.00 0.47 O ATOM 696 CB ASP A 46 5.405 -13.126 3.744 1.00 0.68 C ATOM 697 CG ASP A 46 5.511 -14.469 4.457 1.00 2.23 C ATOM 698 OD1 ASP A 46 6.575 -14.716 5.062 1.00 3.23 O ATOM 699 OD2 ASP A 46 4.528 -15.236 4.365 1.00 3.61 O ATOM 0 H ASP A 46 3.104 -12.735 4.476 1.00 0.82 H new ATOM 0 HA ASP A 46 5.597 -12.128 5.651 1.00 0.57 H new ATOM 0 HB2 ASP A 46 4.649 -13.187 2.962 1.00 0.68 H new ATOM 0 HB3 ASP A 46 6.352 -12.896 3.255 1.00 0.68 H new ATOM 704 N ILE A 47 4.616 -10.181 3.170 1.00 0.47 N ATOM 705 CA ILE A 47 4.859 -8.956 2.419 1.00 0.39 C ATOM 706 C ILE A 47 5.112 -7.803 3.394 1.00 0.35 C ATOM 707 O ILE A 47 6.090 -7.073 3.278 1.00 0.35 O ATOM 708 CB ILE A 47 3.656 -8.688 1.495 1.00 0.36 C ATOM 709 CG1 ILE A 47 3.476 -9.796 0.444 1.00 0.40 C ATOM 710 CG2 ILE A 47 3.745 -7.310 0.835 1.00 0.36 C ATOM 711 CD1 ILE A 47 4.248 -9.506 -0.839 1.00 0.40 C ATOM 0 H ILE A 47 3.749 -10.648 2.905 1.00 0.47 H new ATOM 0 HA ILE A 47 5.746 -9.054 1.793 1.00 0.39 H new ATOM 0 HB ILE A 47 2.769 -8.695 2.128 1.00 0.36 H new ATOM 0 HG12 ILE A 47 3.810 -10.746 0.860 1.00 0.40 H new ATOM 0 HG13 ILE A 47 2.417 -9.905 0.212 1.00 0.40 H new ATOM 0 HG21 ILE A 47 2.879 -7.158 0.191 1.00 0.36 H new ATOM 0 HG22 ILE A 47 3.765 -6.538 1.605 1.00 0.36 H new ATOM 0 HG23 ILE A 47 4.655 -7.250 0.238 1.00 0.36 H new ATOM 0 HD11 ILE A 47 4.089 -10.317 -1.550 1.00 0.40 H new ATOM 0 HD12 ILE A 47 3.896 -8.570 -1.272 1.00 0.40 H new ATOM 0 HD13 ILE A 47 5.311 -9.424 -0.613 1.00 0.40 H new ATOM 723 N PHE A 48 4.224 -7.628 4.366 1.00 0.34 N ATOM 724 CA PHE A 48 4.397 -6.605 5.381 1.00 0.30 C ATOM 725 C PHE A 48 5.630 -6.871 6.233 1.00 0.33 C ATOM 726 O PHE A 48 6.296 -5.927 6.639 1.00 0.34 O ATOM 727 CB PHE A 48 3.136 -6.564 6.236 1.00 0.33 C ATOM 728 CG PHE A 48 3.270 -5.712 7.478 1.00 0.31 C ATOM 729 CD1 PHE A 48 3.646 -4.367 7.356 1.00 0.29 C ATOM 730 CD2 PHE A 48 3.080 -6.272 8.753 1.00 0.37 C ATOM 731 CE1 PHE A 48 3.848 -3.586 8.501 1.00 0.32 C ATOM 732 CE2 PHE A 48 3.248 -5.480 9.904 1.00 0.38 C ATOM 733 CZ PHE A 48 3.642 -4.137 9.776 1.00 0.36 C ATOM 0 H PHE A 48 3.376 -8.185 4.469 1.00 0.34 H new ATOM 0 HA PHE A 48 4.552 -5.638 4.903 1.00 0.30 H new ATOM 0 HB2 PHE A 48 2.311 -6.184 5.633 1.00 0.33 H new ATOM 0 HB3 PHE A 48 2.874 -7.580 6.530 1.00 0.33 H new ATOM 0 HD1 PHE A 48 3.780 -3.932 6.377 1.00 0.29 H new ATOM 0 HD2 PHE A 48 2.805 -7.312 8.850 1.00 0.37 H new ATOM 0 HE1 PHE A 48 4.163 -2.558 8.403 1.00 0.32 H new ATOM 0 HE2 PHE A 48 3.075 -5.903 10.883 1.00 0.38 H new ATOM 0 HZ PHE A 48 3.786 -3.530 10.657 1.00 0.36 H new ATOM 743 N LYS A 49 5.952 -8.123 6.547 1.00 0.44 N ATOM 744 CA LYS A 49 7.100 -8.356 7.412 1.00 0.47 C ATOM 745 C LYS A 49 8.385 -7.813 6.798 1.00 0.49 C ATOM 746 O LYS A 49 9.154 -7.168 7.504 1.00 0.53 O ATOM 747 CB LYS A 49 7.232 -9.842 7.771 1.00 0.59 C ATOM 748 CG LYS A 49 6.739 -10.146 9.188 1.00 0.77 C ATOM 749 CD LYS A 49 5.297 -9.683 9.458 1.00 1.05 C ATOM 750 CE LYS A 49 5.174 -8.332 10.178 1.00 0.80 C ATOM 751 NZ LYS A 49 5.862 -8.323 11.488 1.00 1.09 N ATOM 0 H LYS A 49 5.458 -8.958 6.231 1.00 0.44 H new ATOM 0 HA LYS A 49 6.929 -7.807 8.338 1.00 0.47 H new ATOM 0 HB2 LYS A 49 6.664 -10.438 7.056 1.00 0.59 H new ATOM 0 HB3 LYS A 49 8.275 -10.144 7.680 1.00 0.59 H new ATOM 0 HG2 LYS A 49 6.804 -11.220 9.362 1.00 0.77 H new ATOM 0 HG3 LYS A 49 7.405 -9.666 9.905 1.00 0.77 H new ATOM 0 HD2 LYS A 49 4.767 -9.621 8.507 1.00 1.05 H new ATOM 0 HD3 LYS A 49 4.793 -10.443 10.055 1.00 1.05 H new ATOM 0 HE2 LYS A 49 5.592 -7.548 9.546 1.00 0.80 H new ATOM 0 HE3 LYS A 49 4.120 -8.096 10.323 1.00 0.80 H new ATOM 0 HZ1 LYS A 49 5.461 -7.572 12.086 1.00 1.09 H new ATOM 0 HZ2 LYS A 49 5.733 -9.243 11.954 1.00 1.09 H new ATOM 0 HZ3 LYS A 49 6.877 -8.147 11.346 1.00 1.09 H new ATOM 765 N GLU A 50 8.635 -8.101 5.523 1.00 0.51 N ATOM 766 CA GLU A 50 9.878 -7.687 4.890 1.00 0.57 C ATOM 767 C GLU A 50 9.727 -6.264 4.343 1.00 0.52 C ATOM 768 O GLU A 50 10.454 -5.345 4.715 1.00 0.58 O ATOM 769 CB GLU A 50 10.231 -8.691 3.781 1.00 0.67 C ATOM 770 CG GLU A 50 11.732 -8.714 3.482 1.00 1.13 C ATOM 771 CD GLU A 50 12.486 -9.508 4.550 1.00 1.57 C ATOM 772 OE1 GLU A 50 12.785 -8.912 5.608 1.00 2.42 O ATOM 773 OE2 GLU A 50 12.731 -10.710 4.301 1.00 2.89 O ATOM 0 H GLU A 50 7.998 -8.615 4.915 1.00 0.51 H new ATOM 0 HA GLU A 50 10.692 -7.677 5.615 1.00 0.57 H new ATOM 0 HB2 GLU A 50 9.906 -9.688 4.078 1.00 0.67 H new ATOM 0 HB3 GLU A 50 9.685 -8.435 2.873 1.00 0.67 H new ATOM 0 HG2 GLU A 50 11.905 -9.158 2.502 1.00 1.13 H new ATOM 0 HG3 GLU A 50 12.115 -7.694 3.442 1.00 1.13 H new ATOM 780 N GLU A 51 8.770 -6.075 3.435 1.00 0.46 N ATOM 781 CA GLU A 51 8.639 -4.843 2.674 1.00 0.44 C ATOM 782 C GLU A 51 8.089 -3.716 3.560 1.00 0.38 C ATOM 783 O GLU A 51 8.404 -2.541 3.353 1.00 0.43 O ATOM 784 CB GLU A 51 7.743 -5.068 1.451 1.00 0.43 C ATOM 785 CG GLU A 51 7.946 -6.412 0.724 1.00 0.92 C ATOM 786 CD GLU A 51 9.385 -6.727 0.334 1.00 0.93 C ATOM 787 OE1 GLU A 51 10.094 -5.791 -0.081 1.00 1.99 O ATOM 788 OE2 GLU A 51 9.729 -7.934 0.358 1.00 2.19 O ATOM 0 H GLU A 51 8.065 -6.776 3.209 1.00 0.46 H new ATOM 0 HA GLU A 51 9.626 -4.542 2.324 1.00 0.44 H new ATOM 0 HB2 GLU A 51 6.702 -4.998 1.766 1.00 0.43 H new ATOM 0 HB3 GLU A 51 7.916 -4.260 0.741 1.00 0.43 H new ATOM 0 HG2 GLU A 51 7.576 -7.213 1.364 1.00 0.92 H new ATOM 0 HG3 GLU A 51 7.333 -6.416 -0.177 1.00 0.92 H new ATOM 795 N GLY A 52 7.292 -4.066 4.580 1.00 0.33 N ATOM 796 CA GLY A 52 6.792 -3.190 5.627 1.00 0.31 C ATOM 797 C GLY A 52 7.861 -2.671 6.592 1.00 0.30 C ATOM 798 O GLY A 52 7.618 -2.530 7.788 1.00 0.33 O ATOM 0 H GLY A 52 6.965 -5.026 4.695 1.00 0.33 H new ATOM 0 HA2 GLY A 52 6.297 -2.337 5.163 1.00 0.31 H new ATOM 0 HA3 GLY A 52 6.035 -3.726 6.199 1.00 0.31 H new ATOM 802 N SER A 53 9.036 -2.306 6.089 1.00 0.31 N ATOM 803 CA SER A 53 9.918 -1.374 6.765 1.00 0.34 C ATOM 804 C SER A 53 10.680 -0.531 5.735 1.00 0.34 C ATOM 805 O SER A 53 11.746 -0.009 6.063 1.00 0.52 O ATOM 806 CB SER A 53 10.858 -2.161 7.687 1.00 0.46 C ATOM 807 OG SER A 53 11.608 -1.287 8.512 1.00 1.90 O ATOM 0 H SER A 53 9.399 -2.651 5.201 1.00 0.31 H new ATOM 0 HA SER A 53 9.344 -0.680 7.379 1.00 0.34 H new ATOM 0 HB2 SER A 53 10.277 -2.844 8.307 1.00 0.46 H new ATOM 0 HB3 SER A 53 11.534 -2.771 7.088 1.00 0.46 H new ATOM 0 HG SER A 53 11.972 -0.556 7.969 1.00 1.90 H new ATOM 813 N ASN A 54 10.171 -0.388 4.501 1.00 0.36 N ATOM 814 CA ASN A 54 10.971 0.169 3.411 1.00 0.38 C ATOM 815 C ASN A 54 10.224 1.196 2.564 1.00 0.51 C ATOM 816 O ASN A 54 10.858 2.024 1.912 1.00 0.89 O ATOM 817 CB ASN A 54 11.510 -0.977 2.535 1.00 0.47 C ATOM 818 CG ASN A 54 12.912 -0.712 1.992 1.00 0.63 C ATOM 819 OD1 ASN A 54 13.800 -1.542 2.128 1.00 1.94 O ATOM 820 ND2 ASN A 54 13.168 0.435 1.379 1.00 2.22 N ATOM 0 H ASN A 54 9.220 -0.648 4.240 1.00 0.36 H new ATOM 0 HA ASN A 54 11.798 0.714 3.867 1.00 0.38 H new ATOM 0 HB2 ASN A 54 11.522 -1.897 3.119 1.00 0.47 H new ATOM 0 HB3 ASN A 54 10.829 -1.138 1.700 1.00 0.47 H new ATOM 0 HD21 ASN A 54 14.104 0.624 1.022 1.00 2.22 H new ATOM 0 HD22 ASN A 54 12.429 1.128 1.265 1.00 2.22 H new ATOM 827 N LEU A 55 8.894 1.164 2.538 1.00 0.28 N ATOM 828 CA LEU A 55 8.148 2.183 1.810 1.00 0.28 C ATOM 829 C LEU A 55 8.233 3.518 2.549 1.00 0.33 C ATOM 830 O LEU A 55 8.370 4.571 1.933 1.00 0.42 O ATOM 831 CB LEU A 55 6.684 1.764 1.654 1.00 0.24 C ATOM 832 CG LEU A 55 6.490 0.376 1.033 1.00 0.29 C ATOM 833 CD1 LEU A 55 5.015 0.185 0.677 1.00 0.35 C ATOM 834 CD2 LEU A 55 7.353 0.211 -0.217 1.00 0.37 C ATOM 0 H LEU A 55 8.322 0.459 3.002 1.00 0.28 H new ATOM 0 HA LEU A 55 8.586 2.295 0.818 1.00 0.28 H new ATOM 0 HB2 LEU A 55 6.207 1.781 2.634 1.00 0.24 H new ATOM 0 HB3 LEU A 55 6.171 2.501 1.036 1.00 0.24 H new ATOM 0 HG LEU A 55 6.796 -0.379 1.757 1.00 0.29 H new ATOM 0 HD11 LEU A 55 4.872 -0.801 0.235 1.00 0.35 H new ATOM 0 HD12 LEU A 55 4.409 0.269 1.579 1.00 0.35 H new ATOM 0 HD13 LEU A 55 4.711 0.950 -0.037 1.00 0.35 H new ATOM 0 HD21 LEU A 55 7.197 -0.782 -0.638 1.00 0.37 H new ATOM 0 HD22 LEU A 55 7.075 0.965 -0.953 1.00 0.37 H new ATOM 0 HD23 LEU A 55 8.403 0.332 0.048 1.00 0.37 H new ATOM 846 N THR A 56 8.116 3.469 3.877 1.00 0.31 N ATOM 847 CA THR A 56 8.059 4.625 4.763 1.00 0.36 C ATOM 848 C THR A 56 7.902 4.112 6.199 1.00 0.33 C ATOM 849 O THR A 56 7.724 2.914 6.418 1.00 0.34 O ATOM 850 CB THR A 56 6.948 5.614 4.335 1.00 0.40 C ATOM 851 OG1 THR A 56 6.716 6.595 5.330 1.00 0.52 O ATOM 852 CG2 THR A 56 5.618 4.933 4.037 1.00 0.33 C ATOM 0 H THR A 56 8.056 2.585 4.382 1.00 0.31 H new ATOM 0 HA THR A 56 8.982 5.202 4.701 1.00 0.36 H new ATOM 0 HB THR A 56 7.321 6.074 3.420 1.00 0.40 H new ATOM 0 HG1 THR A 56 6.011 7.205 5.029 1.00 0.52 H new ATOM 0 HG21 THR A 56 4.883 5.683 3.743 1.00 0.33 H new ATOM 0 HG22 THR A 56 5.750 4.216 3.226 1.00 0.33 H new ATOM 0 HG23 THR A 56 5.268 4.412 4.928 1.00 0.33 H new ATOM 860 N SER A 57 7.928 5.010 7.188 1.00 0.36 N ATOM 861 CA SER A 57 7.560 4.695 8.561 1.00 0.37 C ATOM 862 C SER A 57 6.101 4.229 8.613 1.00 0.36 C ATOM 863 O SER A 57 5.780 3.304 9.356 1.00 0.36 O ATOM 864 CB SER A 57 7.803 5.923 9.445 1.00 0.45 C ATOM 865 OG SER A 57 7.497 5.664 10.798 1.00 2.17 O ATOM 0 H SER A 57 8.208 5.981 7.052 1.00 0.36 H new ATOM 0 HA SER A 57 8.177 3.881 8.940 1.00 0.37 H new ATOM 0 HB2 SER A 57 8.845 6.231 9.361 1.00 0.45 H new ATOM 0 HB3 SER A 57 7.195 6.754 9.088 1.00 0.45 H new ATOM 0 HG SER A 57 7.665 6.469 11.331 1.00 2.17 H new ATOM 871 N TYR A 58 5.228 4.812 7.782 1.00 0.39 N ATOM 872 CA TYR A 58 3.838 4.365 7.666 1.00 0.42 C ATOM 873 C TYR A 58 3.724 2.952 7.086 1.00 0.40 C ATOM 874 O TYR A 58 2.652 2.354 7.125 1.00 0.57 O ATOM 875 CB TYR A 58 3.021 5.351 6.808 1.00 0.51 C ATOM 876 CG TYR A 58 2.052 6.216 7.587 1.00 0.57 C ATOM 877 CD1 TYR A 58 1.242 5.639 8.580 1.00 0.58 C ATOM 878 CD2 TYR A 58 1.933 7.591 7.302 1.00 0.71 C ATOM 879 CE1 TYR A 58 0.369 6.432 9.338 1.00 0.70 C ATOM 880 CE2 TYR A 58 1.026 8.385 8.027 1.00 0.85 C ATOM 881 CZ TYR A 58 0.248 7.811 9.058 1.00 0.84 C ATOM 882 OH TYR A 58 -0.622 8.582 9.764 1.00 1.01 O ATOM 0 H TYR A 58 5.464 5.599 7.177 1.00 0.39 H new ATOM 0 HA TYR A 58 3.431 4.339 8.677 1.00 0.42 H new ATOM 0 HB2 TYR A 58 3.711 5.999 6.267 1.00 0.51 H new ATOM 0 HB3 TYR A 58 2.463 4.786 6.062 1.00 0.51 H new ATOM 0 HD1 TYR A 58 1.292 4.575 8.761 1.00 0.58 H new ATOM 0 HD2 TYR A 58 2.539 8.036 6.526 1.00 0.71 H new ATOM 0 HE1 TYR A 58 -0.210 5.989 10.135 1.00 0.70 H new ATOM 0 HE2 TYR A 58 0.924 9.435 7.795 1.00 0.85 H new ATOM 0 HH TYR A 58 -0.576 9.506 9.441 1.00 1.01 H new ATOM 892 N GLY A 59 4.817 2.412 6.550 1.00 0.36 N ATOM 893 CA GLY A 59 4.862 1.060 6.040 1.00 0.36 C ATOM 894 C GLY A 59 5.241 0.075 7.133 1.00 0.34 C ATOM 895 O GLY A 59 5.193 -1.122 6.897 1.00 0.39 O ATOM 0 H GLY A 59 5.701 2.913 6.461 1.00 0.36 H new ATOM 0 HA2 GLY A 59 3.890 0.792 5.626 1.00 0.36 H new ATOM 0 HA3 GLY A 59 5.584 0.999 5.225 1.00 0.36 H new ATOM 899 N ARG A 60 5.616 0.547 8.325 1.00 0.31 N ATOM 900 CA ARG A 60 6.026 -0.308 9.432 1.00 0.32 C ATOM 901 C ARG A 60 5.043 -0.246 10.598 1.00 0.33 C ATOM 902 O ARG A 60 5.119 -1.061 11.515 1.00 0.37 O ATOM 903 CB ARG A 60 7.423 0.119 9.889 1.00 0.36 C ATOM 904 CG ARG A 60 8.096 -0.932 10.784 1.00 0.42 C ATOM 905 CD ARG A 60 9.492 -0.481 11.208 1.00 1.35 C ATOM 906 NE ARG A 60 10.018 -1.351 12.272 1.00 1.34 N ATOM 907 CZ ARG A 60 11.140 -1.126 12.964 1.00 2.26 C ATOM 908 NH1 ARG A 60 11.927 -0.100 12.641 1.00 3.48 N ATOM 909 NH2 ARG A 60 11.468 -1.921 13.985 1.00 2.23 N ATOM 0 H ARG A 60 5.642 1.542 8.546 1.00 0.31 H new ATOM 0 HA ARG A 60 6.040 -1.342 9.086 1.00 0.32 H new ATOM 0 HB2 ARG A 60 8.048 0.301 9.015 1.00 0.36 H new ATOM 0 HB3 ARG A 60 7.352 1.062 10.432 1.00 0.36 H new ATOM 0 HG2 ARG A 60 7.483 -1.107 11.668 1.00 0.42 H new ATOM 0 HG3 ARG A 60 8.163 -1.880 10.250 1.00 0.42 H new ATOM 0 HD2 ARG A 60 10.163 -0.502 10.349 1.00 1.35 H new ATOM 0 HD3 ARG A 60 9.456 0.550 11.559 1.00 1.35 H new ATOM 0 HE ARG A 60 9.485 -2.191 12.499 1.00 1.34 H new ATOM 0 HH11 ARG A 60 11.673 0.513 11.866 1.00 3.48 H new ATOM 0 HH12 ARG A 60 12.783 0.072 13.169 1.00 3.48 H new ATOM 0 HH21 ARG A 60 10.862 -2.702 14.238 1.00 2.23 H new ATOM 0 HH22 ARG A 60 12.324 -1.748 14.512 1.00 2.23 H new ATOM 923 N THR A 61 4.151 0.743 10.593 1.00 0.36 N ATOM 924 CA THR A 61 3.008 0.797 11.495 1.00 0.39 C ATOM 925 C THR A 61 2.063 -0.380 11.195 1.00 0.44 C ATOM 926 O THR A 61 2.485 -1.399 10.652 1.00 0.75 O ATOM 927 CB THR A 61 2.336 2.171 11.340 1.00 0.44 C ATOM 928 OG1 THR A 61 2.150 2.460 9.985 1.00 0.76 O ATOM 929 CG2 THR A 61 3.151 3.301 11.942 1.00 0.78 C ATOM 0 H THR A 61 4.204 1.537 9.955 1.00 0.36 H new ATOM 0 HA THR A 61 3.312 0.692 12.537 1.00 0.39 H new ATOM 0 HB THR A 61 1.387 2.106 11.872 1.00 0.44 H new ATOM 0 HG1 THR A 61 1.280 2.893 9.859 1.00 0.76 H new ATOM 0 HG21 THR A 61 2.624 4.245 11.801 1.00 0.78 H new ATOM 0 HG22 THR A 61 3.292 3.120 13.008 1.00 0.78 H new ATOM 0 HG23 THR A 61 4.123 3.351 11.451 1.00 0.78 H new ATOM 937 N ASN A 62 0.786 -0.300 11.585 1.00 0.41 N ATOM 938 CA ASN A 62 -0.144 -1.405 11.406 1.00 0.40 C ATOM 939 C ASN A 62 -0.145 -1.866 9.947 1.00 0.36 C ATOM 940 O ASN A 62 -0.020 -1.039 9.045 1.00 0.34 O ATOM 941 CB ASN A 62 -1.554 -0.962 11.841 1.00 0.50 C ATOM 942 CG ASN A 62 -2.302 -2.048 12.598 1.00 0.90 C ATOM 943 OD1 ASN A 62 -1.791 -3.139 12.814 1.00 1.75 O ATOM 944 ND2 ASN A 62 -3.523 -1.757 13.026 1.00 1.41 N ATOM 0 H ASN A 62 0.378 0.524 12.027 1.00 0.41 H new ATOM 0 HA ASN A 62 0.168 -2.246 12.025 1.00 0.40 H new ATOM 0 HB2 ASN A 62 -1.474 -0.075 12.470 1.00 0.50 H new ATOM 0 HB3 ASN A 62 -2.129 -0.677 10.960 1.00 0.50 H new ATOM 0 HD21 ASN A 62 -4.059 -2.450 13.548 1.00 1.41 H new ATOM 0 HD22 ASN A 62 -3.926 -0.840 12.833 1.00 1.41 H new ATOM 951 N GLU A 63 -0.324 -3.162 9.689 1.00 0.38 N ATOM 952 CA GLU A 63 -0.256 -3.683 8.323 1.00 0.38 C ATOM 953 C GLU A 63 -1.311 -3.011 7.434 1.00 0.37 C ATOM 954 O GLU A 63 -1.080 -2.739 6.260 1.00 0.43 O ATOM 955 CB GLU A 63 -0.376 -5.211 8.351 1.00 0.45 C ATOM 956 CG GLU A 63 -0.059 -5.855 6.990 1.00 0.72 C ATOM 957 CD GLU A 63 -1.297 -6.348 6.242 1.00 1.85 C ATOM 958 OE1 GLU A 63 -2.323 -5.640 6.304 1.00 3.36 O ATOM 959 OE2 GLU A 63 -1.239 -7.471 5.694 1.00 2.48 O ATOM 0 H GLU A 63 -0.516 -3.866 10.402 1.00 0.38 H new ATOM 0 HA GLU A 63 0.710 -3.442 7.880 1.00 0.38 H new ATOM 0 HB2 GLU A 63 0.302 -5.611 9.105 1.00 0.45 H new ATOM 0 HB3 GLU A 63 -1.386 -5.487 8.653 1.00 0.45 H new ATOM 0 HG2 GLU A 63 0.466 -5.130 6.368 1.00 0.72 H new ATOM 0 HG3 GLU A 63 0.620 -6.694 7.144 1.00 0.72 H new ATOM 966 N ALA A 64 -2.447 -2.647 8.026 1.00 0.35 N ATOM 967 CA ALA A 64 -3.493 -1.899 7.350 1.00 0.35 C ATOM 968 C ALA A 64 -3.009 -0.554 6.807 1.00 0.32 C ATOM 969 O ALA A 64 -3.462 -0.090 5.762 1.00 0.35 O ATOM 970 CB ALA A 64 -4.662 -1.730 8.314 1.00 0.41 C ATOM 0 H ALA A 64 -2.665 -2.868 8.998 1.00 0.35 H new ATOM 0 HA ALA A 64 -3.812 -2.461 6.472 1.00 0.35 H new ATOM 0 HB1 ALA A 64 -5.459 -1.170 7.825 1.00 0.41 H new ATOM 0 HB2 ALA A 64 -5.036 -2.711 8.608 1.00 0.41 H new ATOM 0 HB3 ALA A 64 -4.328 -1.188 9.199 1.00 0.41 H new ATOM 976 N GLU A 65 -2.114 0.109 7.533 1.00 0.32 N ATOM 977 CA GLU A 65 -1.501 1.335 7.061 1.00 0.31 C ATOM 978 C GLU A 65 -0.540 1.039 5.933 1.00 0.26 C ATOM 979 O GLU A 65 -0.635 1.691 4.906 1.00 0.33 O ATOM 980 CB GLU A 65 -0.778 2.062 8.181 1.00 0.36 C ATOM 981 CG GLU A 65 -1.732 2.251 9.352 1.00 0.48 C ATOM 982 CD GLU A 65 -1.386 3.534 10.088 1.00 0.81 C ATOM 983 OE1 GLU A 65 -0.334 3.533 10.763 1.00 2.22 O ATOM 984 OE2 GLU A 65 -2.129 4.521 9.886 1.00 1.73 O ATOM 0 H GLU A 65 -1.799 -0.189 8.456 1.00 0.32 H new ATOM 0 HA GLU A 65 -2.296 1.984 6.695 1.00 0.31 H new ATOM 0 HB2 GLU A 65 0.096 1.492 8.496 1.00 0.36 H new ATOM 0 HB3 GLU A 65 -0.418 3.029 7.830 1.00 0.36 H new ATOM 0 HG2 GLU A 65 -2.761 2.291 8.994 1.00 0.48 H new ATOM 0 HG3 GLU A 65 -1.664 1.401 10.031 1.00 0.48 H new ATOM 991 N PHE A 66 0.344 0.057 6.103 1.00 0.24 N ATOM 992 CA PHE A 66 1.264 -0.411 5.072 1.00 0.23 C ATOM 993 C PHE A 66 0.547 -0.618 3.733 1.00 0.23 C ATOM 994 O PHE A 66 1.011 -0.163 2.691 1.00 0.23 O ATOM 995 CB PHE A 66 1.948 -1.672 5.605 1.00 0.28 C ATOM 996 CG PHE A 66 2.646 -2.492 4.555 1.00 0.26 C ATOM 997 CD1 PHE A 66 3.965 -2.191 4.195 1.00 0.26 C ATOM 998 CD2 PHE A 66 1.977 -3.567 3.948 1.00 0.27 C ATOM 999 CE1 PHE A 66 4.607 -2.928 3.200 1.00 0.26 C ATOM 1000 CE2 PHE A 66 2.637 -4.341 2.983 1.00 0.28 C ATOM 1001 CZ PHE A 66 3.959 -4.025 2.621 1.00 0.26 C ATOM 0 H PHE A 66 0.441 -0.447 6.985 1.00 0.24 H new ATOM 0 HA PHE A 66 2.028 0.337 4.859 1.00 0.23 H new ATOM 0 HB2 PHE A 66 2.674 -1.383 6.365 1.00 0.28 H new ATOM 0 HB3 PHE A 66 1.201 -2.295 6.098 1.00 0.28 H new ATOM 0 HD1 PHE A 66 4.487 -1.385 4.689 1.00 0.26 H new ATOM 0 HD2 PHE A 66 0.958 -3.797 4.223 1.00 0.27 H new ATOM 0 HE1 PHE A 66 5.600 -2.653 2.878 1.00 0.26 H new ATOM 0 HE2 PHE A 66 2.133 -5.176 2.520 1.00 0.28 H new ATOM 0 HZ PHE A 66 4.476 -4.632 1.893 1.00 0.26 H new ATOM 1011 N PHE A 67 -0.604 -1.283 3.741 1.00 0.25 N ATOM 1012 CA PHE A 67 -1.399 -1.489 2.541 1.00 0.25 C ATOM 1013 C PHE A 67 -1.936 -0.156 1.997 1.00 0.23 C ATOM 1014 O PHE A 67 -1.921 0.091 0.792 1.00 0.23 O ATOM 1015 CB PHE A 67 -2.534 -2.452 2.896 1.00 0.30 C ATOM 1016 CG PHE A 67 -3.445 -2.789 1.737 1.00 0.29 C ATOM 1017 CD1 PHE A 67 -3.095 -3.820 0.845 1.00 0.35 C ATOM 1018 CD2 PHE A 67 -4.653 -2.090 1.569 1.00 0.31 C ATOM 1019 CE1 PHE A 67 -3.963 -4.169 -0.204 1.00 0.41 C ATOM 1020 CE2 PHE A 67 -5.522 -2.442 0.519 1.00 0.41 C ATOM 1021 CZ PHE A 67 -5.181 -3.486 -0.359 1.00 0.45 C ATOM 0 H PHE A 67 -1.010 -1.694 4.582 1.00 0.25 H new ATOM 0 HA PHE A 67 -0.785 -1.917 1.748 1.00 0.25 H new ATOM 0 HB2 PHE A 67 -2.104 -3.375 3.286 1.00 0.30 H new ATOM 0 HB3 PHE A 67 -3.130 -2.014 3.697 1.00 0.30 H new ATOM 0 HD1 PHE A 67 -2.158 -4.344 0.967 1.00 0.35 H new ATOM 0 HD2 PHE A 67 -4.913 -1.287 2.242 1.00 0.31 H new ATOM 0 HE1 PHE A 67 -3.695 -4.960 -0.889 1.00 0.41 H new ATOM 0 HE2 PHE A 67 -6.452 -1.909 0.388 1.00 0.41 H new ATOM 0 HZ PHE A 67 -5.857 -3.764 -1.154 1.00 0.45 H new ATOM 1031 N ALA A 68 -2.449 0.706 2.874 1.00 0.25 N ATOM 1032 CA ALA A 68 -3.102 1.953 2.502 1.00 0.25 C ATOM 1033 C ALA A 68 -2.133 2.961 1.858 1.00 0.26 C ATOM 1034 O ALA A 68 -2.395 3.509 0.787 1.00 0.28 O ATOM 1035 CB ALA A 68 -3.766 2.498 3.766 1.00 0.25 C ATOM 0 H ALA A 68 -2.420 0.551 3.882 1.00 0.25 H new ATOM 0 HA ALA A 68 -3.850 1.773 1.730 1.00 0.25 H new ATOM 0 HB1 ALA A 68 -4.271 3.436 3.536 1.00 0.25 H new ATOM 0 HB2 ALA A 68 -4.494 1.775 4.135 1.00 0.25 H new ATOM 0 HB3 ALA A 68 -3.008 2.671 4.530 1.00 0.25 H new ATOM 1041 N GLU A 69 -1.001 3.232 2.505 1.00 0.30 N ATOM 1042 CA GLU A 69 0.081 4.036 1.955 1.00 0.35 C ATOM 1043 C GLU A 69 0.634 3.396 0.685 1.00 0.38 C ATOM 1044 O GLU A 69 0.847 4.106 -0.295 1.00 0.38 O ATOM 1045 CB GLU A 69 1.152 4.306 3.024 1.00 0.57 C ATOM 1046 CG GLU A 69 1.885 3.052 3.517 1.00 1.13 C ATOM 1047 CD GLU A 69 3.227 2.791 2.837 1.00 2.49 C ATOM 1048 OE1 GLU A 69 3.447 3.328 1.730 1.00 3.36 O ATOM 1049 OE2 GLU A 69 4.033 2.069 3.462 1.00 3.59 O ATOM 0 H GLU A 69 -0.809 2.890 3.447 1.00 0.30 H new ATOM 0 HA GLU A 69 -0.306 5.011 1.660 1.00 0.35 H new ATOM 0 HB2 GLU A 69 1.884 5.004 2.619 1.00 0.57 H new ATOM 0 HB3 GLU A 69 0.682 4.796 3.877 1.00 0.57 H new ATOM 0 HG2 GLU A 69 2.048 3.141 4.591 1.00 1.13 H new ATOM 0 HG3 GLU A 69 1.240 2.187 3.363 1.00 1.13 H new ATOM 1056 N ALA A 70 0.775 2.067 0.644 1.00 0.42 N ATOM 1057 CA ALA A 70 1.189 1.405 -0.582 1.00 0.46 C ATOM 1058 C ALA A 70 0.234 1.761 -1.722 1.00 0.42 C ATOM 1059 O ALA A 70 0.696 2.034 -2.820 1.00 0.43 O ATOM 1060 CB ALA A 70 1.304 -0.107 -0.385 1.00 0.51 C ATOM 0 H ALA A 70 0.610 1.444 1.434 1.00 0.42 H new ATOM 0 HA ALA A 70 2.182 1.763 -0.852 1.00 0.46 H new ATOM 0 HB1 ALA A 70 1.615 -0.573 -1.320 1.00 0.51 H new ATOM 0 HB2 ALA A 70 2.042 -0.318 0.389 1.00 0.51 H new ATOM 0 HB3 ALA A 70 0.337 -0.509 -0.084 1.00 0.51 H new ATOM 1066 N PHE A 71 -1.079 1.817 -1.470 1.00 0.41 N ATOM 1067 CA PHE A 71 -2.086 2.302 -2.417 1.00 0.41 C ATOM 1068 C PHE A 71 -1.777 3.714 -2.899 1.00 0.37 C ATOM 1069 O PHE A 71 -1.791 3.954 -4.108 1.00 0.37 O ATOM 1070 CB PHE A 71 -3.487 2.212 -1.792 1.00 0.48 C ATOM 1071 CG PHE A 71 -4.443 1.319 -2.553 1.00 1.08 C ATOM 1072 CD1 PHE A 71 -4.953 1.733 -3.796 1.00 1.43 C ATOM 1073 CD2 PHE A 71 -4.831 0.079 -2.013 1.00 2.66 C ATOM 1074 CE1 PHE A 71 -5.848 0.908 -4.501 1.00 2.09 C ATOM 1075 CE2 PHE A 71 -5.744 -0.733 -2.708 1.00 3.45 C ATOM 1076 CZ PHE A 71 -6.247 -0.323 -3.954 1.00 2.89 C ATOM 0 H PHE A 71 -1.479 1.519 -0.580 1.00 0.41 H new ATOM 0 HA PHE A 71 -2.060 1.660 -3.298 1.00 0.41 H new ATOM 0 HB2 PHE A 71 -3.395 1.842 -0.771 1.00 0.48 H new ATOM 0 HB3 PHE A 71 -3.912 3.214 -1.731 1.00 0.48 H new ATOM 0 HD1 PHE A 71 -4.657 2.686 -4.210 1.00 1.43 H new ATOM 0 HD2 PHE A 71 -4.428 -0.248 -1.066 1.00 2.66 H new ATOM 0 HE1 PHE A 71 -6.228 1.221 -5.462 1.00 2.09 H new ATOM 0 HE2 PHE A 71 -6.060 -1.674 -2.283 1.00 3.45 H new ATOM 0 HZ PHE A 71 -6.940 -0.954 -4.491 1.00 2.89 H new ATOM 1086 N ARG A 72 -1.504 4.654 -1.988 1.00 0.37 N ATOM 1087 CA ARG A 72 -1.129 6.015 -2.373 1.00 0.34 C ATOM 1088 C ARG A 72 0.005 5.954 -3.400 1.00 0.32 C ATOM 1089 O ARG A 72 -0.123 6.469 -4.510 1.00 0.37 O ATOM 1090 CB ARG A 72 -0.770 6.847 -1.126 1.00 0.37 C ATOM 1091 CG ARG A 72 -0.087 8.175 -1.479 1.00 0.45 C ATOM 1092 CD ARG A 72 0.160 9.028 -0.223 1.00 0.63 C ATOM 1093 NE ARG A 72 1.537 9.546 -0.106 1.00 0.89 N ATOM 1094 CZ ARG A 72 2.221 10.271 -1.006 1.00 2.10 C ATOM 1095 NH1 ARG A 72 1.740 10.463 -2.229 1.00 3.93 N ATOM 1096 NH2 ARG A 72 3.391 10.812 -0.682 1.00 2.26 N ATOM 0 H ARG A 72 -1.536 4.496 -0.981 1.00 0.37 H new ATOM 0 HA ARG A 72 -1.972 6.520 -2.845 1.00 0.34 H new ATOM 0 HB2 ARG A 72 -1.676 7.049 -0.556 1.00 0.37 H new ATOM 0 HB3 ARG A 72 -0.112 6.264 -0.482 1.00 0.37 H new ATOM 0 HG2 ARG A 72 0.861 7.977 -1.979 1.00 0.45 H new ATOM 0 HG3 ARG A 72 -0.708 8.730 -2.182 1.00 0.45 H new ATOM 0 HD2 ARG A 72 -0.534 9.869 -0.226 1.00 0.63 H new ATOM 0 HD3 ARG A 72 -0.068 8.430 0.659 1.00 0.63 H new ATOM 0 HE ARG A 72 2.027 9.327 0.761 1.00 0.89 H new ATOM 0 HH11 ARG A 72 0.842 10.058 -2.493 1.00 3.93 H new ATOM 0 HH12 ARG A 72 2.269 11.016 -2.904 1.00 3.93 H new ATOM 0 HH21 ARG A 72 3.773 10.677 0.254 1.00 2.26 H new ATOM 0 HH22 ARG A 72 3.906 11.362 -1.369 1.00 2.26 H new ATOM 1110 N LEU A 73 1.100 5.302 -3.031 1.00 0.30 N ATOM 1111 CA LEU A 73 2.312 5.217 -3.829 1.00 0.29 C ATOM 1112 C LEU A 73 2.077 4.421 -5.106 1.00 0.33 C ATOM 1113 O LEU A 73 2.763 4.649 -6.094 1.00 0.49 O ATOM 1114 CB LEU A 73 3.432 4.614 -2.994 1.00 0.33 C ATOM 1115 CG LEU A 73 3.912 5.417 -1.758 1.00 0.31 C ATOM 1116 CD1 LEU A 73 5.368 5.877 -1.907 1.00 0.39 C ATOM 1117 CD2 LEU A 73 3.110 6.668 -1.392 1.00 0.37 C ATOM 0 H LEU A 73 1.169 4.805 -2.143 1.00 0.30 H new ATOM 0 HA LEU A 73 2.606 6.222 -4.132 1.00 0.29 H new ATOM 0 HB2 LEU A 73 3.106 3.632 -2.652 1.00 0.33 H new ATOM 0 HB3 LEU A 73 4.290 4.455 -3.647 1.00 0.33 H new ATOM 0 HG LEU A 73 3.772 4.688 -0.960 1.00 0.31 H new ATOM 0 HD11 LEU A 73 5.666 6.436 -1.020 1.00 0.39 H new ATOM 0 HD12 LEU A 73 6.015 5.007 -2.021 1.00 0.39 H new ATOM 0 HD13 LEU A 73 5.460 6.515 -2.786 1.00 0.39 H new ATOM 0 HD21 LEU A 73 3.549 7.137 -0.511 1.00 0.37 H new ATOM 0 HD22 LEU A 73 3.131 7.370 -2.225 1.00 0.37 H new ATOM 0 HD23 LEU A 73 2.078 6.389 -1.179 1.00 0.37 H new ATOM 1129 N MET A 74 1.104 3.509 -5.121 1.00 0.32 N ATOM 1130 CA MET A 74 0.811 2.690 -6.290 1.00 0.37 C ATOM 1131 C MET A 74 0.352 3.576 -7.443 1.00 0.35 C ATOM 1132 O MET A 74 0.663 3.304 -8.603 1.00 0.38 O ATOM 1133 CB MET A 74 -0.241 1.605 -5.984 1.00 0.51 C ATOM 1134 CG MET A 74 0.084 0.277 -6.686 1.00 0.84 C ATOM 1135 SD MET A 74 -1.153 -0.372 -7.844 1.00 1.56 S ATOM 1136 CE MET A 74 -0.933 0.752 -9.243 1.00 2.34 C ATOM 0 H MET A 74 0.499 3.320 -4.322 1.00 0.32 H new ATOM 0 HA MET A 74 1.728 2.175 -6.577 1.00 0.37 H new ATOM 0 HB2 MET A 74 -0.293 1.443 -4.907 1.00 0.51 H new ATOM 0 HB3 MET A 74 -1.224 1.953 -6.302 1.00 0.51 H new ATOM 0 HG2 MET A 74 1.022 0.402 -7.228 1.00 0.84 H new ATOM 0 HG3 MET A 74 0.257 -0.477 -5.919 1.00 0.84 H new ATOM 0 HE1 MET A 74 -1.372 0.310 -10.137 1.00 2.34 H new ATOM 0 HE2 MET A 74 -1.425 1.701 -9.028 1.00 2.34 H new ATOM 0 HE3 MET A 74 0.131 0.924 -9.408 1.00 2.34 H new ATOM 1146 N HIS A 75 -0.447 4.603 -7.134 1.00 0.39 N ATOM 1147 CA HIS A 75 -0.949 5.538 -8.132 1.00 0.50 C ATOM 1148 C HIS A 75 -0.146 6.838 -8.234 1.00 0.55 C ATOM 1149 O HIS A 75 -0.517 7.642 -9.089 1.00 0.85 O ATOM 1150 CB HIS A 75 -2.435 5.832 -7.897 1.00 0.56 C ATOM 1151 CG HIS A 75 -2.641 6.883 -6.842 1.00 0.59 C ATOM 1152 ND1 HIS A 75 -2.407 8.237 -7.026 1.00 0.67 N ATOM 1153 CD2 HIS A 75 -2.870 6.647 -5.518 1.00 0.81 C ATOM 1154 CE1 HIS A 75 -2.468 8.821 -5.816 1.00 0.90 C ATOM 1155 NE2 HIS A 75 -2.771 7.879 -4.899 1.00 0.97 N ATOM 0 H HIS A 75 -0.760 4.804 -6.184 1.00 0.39 H new ATOM 0 HA HIS A 75 -0.824 5.041 -9.094 1.00 0.50 H new ATOM 0 HB2 HIS A 75 -2.892 6.161 -8.831 1.00 0.56 H new ATOM 0 HB3 HIS A 75 -2.943 4.915 -7.599 1.00 0.56 H new ATOM 0 HD1 HIS A 75 -2.223 8.704 -7.914 1.00 0.67 H new ATOM 0 HD2 HIS A 75 -3.084 5.697 -5.051 1.00 0.81 H new ATOM 0 HE1 HIS A 75 -2.302 9.869 -5.613 1.00 0.90 H new ATOM 1164 N SER A 76 0.797 7.135 -7.324 1.00 0.54 N ATOM 1165 CA SER A 76 1.519 8.402 -7.248 1.00 0.59 C ATOM 1166 C SER A 76 1.794 8.957 -8.627 1.00 0.60 C ATOM 1167 O SER A 76 2.495 8.361 -9.434 1.00 0.65 O ATOM 1168 CB SER A 76 2.804 8.258 -6.435 1.00 0.63 C ATOM 1169 OG SER A 76 2.470 8.314 -5.064 1.00 1.12 O ATOM 0 H SER A 76 1.082 6.474 -6.601 1.00 0.54 H new ATOM 0 HA SER A 76 0.883 9.118 -6.728 1.00 0.59 H new ATOM 0 HB2 SER A 76 3.297 7.314 -6.668 1.00 0.63 H new ATOM 0 HB3 SER A 76 3.505 9.054 -6.688 1.00 0.63 H new ATOM 0 HG SER A 76 3.285 8.237 -4.525 1.00 1.12 H new ATOM 1175 N THR A 77 1.174 10.099 -8.888 1.00 0.64 N ATOM 1176 CA THR A 77 1.177 10.752 -10.180 1.00 0.69 C ATOM 1177 C THR A 77 2.596 10.909 -10.699 1.00 0.64 C ATOM 1178 O THR A 77 2.840 10.716 -11.891 1.00 0.67 O ATOM 1179 CB THR A 77 0.451 12.094 -10.069 1.00 0.83 C ATOM 1180 OG1 THR A 77 0.532 12.588 -8.746 1.00 0.84 O ATOM 1181 CG2 THR A 77 -1.027 11.889 -10.410 1.00 1.04 C ATOM 0 H THR A 77 0.641 10.608 -8.183 1.00 0.64 H new ATOM 0 HA THR A 77 0.645 10.136 -10.905 1.00 0.69 H new ATOM 0 HB THR A 77 0.916 12.803 -10.754 1.00 0.83 H new ATOM 0 HG1 THR A 77 -0.061 13.362 -8.649 1.00 0.84 H new ATOM 0 HG21 THR A 77 -1.553 12.840 -10.334 1.00 1.04 H new ATOM 0 HG22 THR A 77 -1.116 11.506 -11.426 1.00 1.04 H new ATOM 0 HG23 THR A 77 -1.466 11.175 -9.713 1.00 1.04 H new ATOM 1189 N ASP A 78 3.549 11.193 -9.810 1.00 0.64 N ATOM 1190 CA ASP A 78 4.924 11.012 -10.239 1.00 0.65 C ATOM 1191 C ASP A 78 5.245 9.524 -10.309 1.00 0.55 C ATOM 1192 O ASP A 78 5.467 8.859 -9.295 1.00 0.61 O ATOM 1193 CB ASP A 78 5.964 11.752 -9.401 1.00 0.92 C ATOM 1194 CG ASP A 78 7.319 11.646 -10.118 1.00 1.24 C ATOM 1195 OD1 ASP A 78 7.334 11.136 -11.268 1.00 2.40 O ATOM 1196 OD2 ASP A 78 8.337 12.053 -9.530 1.00 1.86 O ATOM 0 H ASP A 78 3.407 11.526 -8.856 1.00 0.64 H new ATOM 0 HA ASP A 78 4.993 11.467 -11.227 1.00 0.65 H new ATOM 0 HB2 ASP A 78 5.680 12.797 -9.278 1.00 0.92 H new ATOM 0 HB3 ASP A 78 6.027 11.319 -8.403 1.00 0.92 H new ATOM 1201 N HIS A 79 5.348 9.034 -11.545 1.00 0.53 N ATOM 1202 CA HIS A 79 5.855 7.714 -11.885 1.00 0.54 C ATOM 1203 C HIS A 79 7.046 7.305 -11.021 1.00 0.49 C ATOM 1204 O HIS A 79 7.163 6.133 -10.676 1.00 0.47 O ATOM 1205 CB HIS A 79 6.236 7.668 -13.369 1.00 0.65 C ATOM 1206 CG HIS A 79 7.489 8.453 -13.695 1.00 2.01 C ATOM 1207 ND1 HIS A 79 7.663 9.821 -13.556 1.00 3.16 N ATOM 1208 CD2 HIS A 79 8.696 7.911 -14.043 1.00 3.38 C ATOM 1209 CE1 HIS A 79 8.943 10.103 -13.851 1.00 4.47 C ATOM 1210 NE2 HIS A 79 9.591 8.960 -14.152 1.00 4.59 N ATOM 0 H HIS A 79 5.068 9.571 -12.366 1.00 0.53 H new ATOM 0 HA HIS A 79 5.057 6.998 -11.687 1.00 0.54 H new ATOM 0 HB2 HIS A 79 6.379 6.629 -13.667 1.00 0.65 H new ATOM 0 HB3 HIS A 79 5.408 8.058 -13.961 1.00 0.65 H new ATOM 0 HD1 HIS A 79 6.947 10.493 -13.279 1.00 3.16 H new ATOM 0 HD2 HIS A 79 8.909 6.864 -14.202 1.00 3.38 H new ATOM 0 HE1 HIS A 79 9.383 11.089 -13.848 1.00 4.47 H new ATOM 1219 N ALA A 80 7.941 8.240 -10.698 1.00 0.51 N ATOM 1220 CA ALA A 80 9.109 7.935 -9.896 1.00 0.53 C ATOM 1221 C ALA A 80 8.683 7.261 -8.602 1.00 0.51 C ATOM 1222 O ALA A 80 9.160 6.173 -8.298 1.00 0.52 O ATOM 1223 CB ALA A 80 9.884 9.209 -9.582 1.00 0.58 C ATOM 0 H ALA A 80 7.871 9.216 -10.985 1.00 0.51 H new ATOM 0 HA ALA A 80 9.755 7.261 -10.459 1.00 0.53 H new ATOM 0 HB1 ALA A 80 10.758 8.964 -8.979 1.00 0.58 H new ATOM 0 HB2 ALA A 80 10.205 9.678 -10.512 1.00 0.58 H new ATOM 0 HB3 ALA A 80 9.244 9.897 -9.030 1.00 0.58 H new ATOM 1229 N GLU A 81 7.787 7.897 -7.845 1.00 0.51 N ATOM 1230 CA GLU A 81 7.370 7.414 -6.539 1.00 0.54 C ATOM 1231 C GLU A 81 6.811 6.009 -6.610 1.00 0.41 C ATOM 1232 O GLU A 81 7.071 5.176 -5.741 1.00 0.40 O ATOM 1233 CB GLU A 81 6.418 8.411 -5.868 1.00 0.67 C ATOM 1234 CG GLU A 81 7.104 9.110 -4.688 1.00 1.01 C ATOM 1235 CD GLU A 81 8.421 9.798 -5.070 1.00 3.10 C ATOM 1236 OE1 GLU A 81 9.459 9.093 -5.112 1.00 4.58 O ATOM 1237 OE2 GLU A 81 8.402 11.018 -5.316 1.00 3.98 O ATOM 0 H GLU A 81 7.332 8.765 -8.127 1.00 0.51 H new ATOM 0 HA GLU A 81 8.252 7.346 -5.902 1.00 0.54 H new ATOM 0 HB2 GLU A 81 6.090 9.154 -6.596 1.00 0.67 H new ATOM 0 HB3 GLU A 81 5.526 7.891 -5.519 1.00 0.67 H new ATOM 0 HG2 GLU A 81 6.424 9.851 -4.269 1.00 1.01 H new ATOM 0 HG3 GLU A 81 7.299 8.377 -3.905 1.00 1.01 H new ATOM 1244 N ARG A 82 6.112 5.711 -7.696 1.00 0.35 N ATOM 1245 CA ARG A 82 5.616 4.363 -7.884 1.00 0.29 C ATOM 1246 C ARG A 82 6.791 3.399 -7.967 1.00 0.30 C ATOM 1247 O ARG A 82 6.806 2.383 -7.281 1.00 0.29 O ATOM 1248 CB ARG A 82 4.799 4.298 -9.166 1.00 0.28 C ATOM 1249 CG ARG A 82 3.564 5.183 -9.055 1.00 0.32 C ATOM 1250 CD ARG A 82 3.024 5.444 -10.453 1.00 0.35 C ATOM 1251 NE ARG A 82 1.974 4.489 -10.815 1.00 0.54 N ATOM 1252 CZ ARG A 82 1.143 4.606 -11.853 1.00 1.13 C ATOM 1253 NH1 ARG A 82 1.279 5.622 -12.706 1.00 2.26 N ATOM 1254 NH2 ARG A 82 0.176 3.706 -12.025 1.00 1.22 N ATOM 0 H ARG A 82 5.882 6.368 -8.441 1.00 0.35 H new ATOM 0 HA ARG A 82 4.982 4.084 -7.042 1.00 0.29 H new ATOM 0 HB2 ARG A 82 5.409 4.619 -10.010 1.00 0.28 H new ATOM 0 HB3 ARG A 82 4.500 3.268 -9.362 1.00 0.28 H new ATOM 0 HG2 ARG A 82 2.805 4.698 -8.441 1.00 0.32 H new ATOM 0 HG3 ARG A 82 3.816 6.124 -8.565 1.00 0.32 H new ATOM 0 HD2 ARG A 82 2.628 6.458 -10.507 1.00 0.35 H new ATOM 0 HD3 ARG A 82 3.838 5.381 -11.175 1.00 0.35 H new ATOM 0 HE ARG A 82 1.869 3.665 -10.224 1.00 0.54 H new ATOM 0 HH11 ARG A 82 2.018 6.310 -12.565 1.00 2.26 H new ATOM 0 HH12 ARG A 82 0.644 5.711 -13.499 1.00 2.26 H new ATOM 0 HH21 ARG A 82 0.074 2.934 -11.366 1.00 1.22 H new ATOM 0 HH22 ARG A 82 -0.463 3.789 -12.816 1.00 1.22 H new ATOM 1268 N LEU A 83 7.780 3.702 -8.809 1.00 0.34 N ATOM 1269 CA LEU A 83 8.987 2.897 -8.927 1.00 0.38 C ATOM 1270 C LEU A 83 9.863 2.934 -7.682 1.00 0.39 C ATOM 1271 O LEU A 83 10.678 2.029 -7.521 1.00 0.40 O ATOM 1272 CB LEU A 83 9.808 3.264 -10.168 1.00 0.48 C ATOM 1273 CG LEU A 83 9.266 2.689 -11.485 1.00 0.53 C ATOM 1274 CD1 LEU A 83 8.715 1.268 -11.354 1.00 0.52 C ATOM 1275 CD2 LEU A 83 8.172 3.565 -12.096 1.00 0.53 C ATOM 0 H LEU A 83 7.763 4.514 -9.427 1.00 0.34 H new ATOM 0 HA LEU A 83 8.633 1.872 -9.039 1.00 0.38 H new ATOM 0 HB2 LEU A 83 9.851 4.350 -10.251 1.00 0.48 H new ATOM 0 HB3 LEU A 83 10.831 2.914 -10.028 1.00 0.48 H new ATOM 0 HG LEU A 83 10.137 2.667 -12.140 1.00 0.53 H new ATOM 0 HD11 LEU A 83 8.350 0.928 -12.323 1.00 0.52 H new ATOM 0 HD12 LEU A 83 9.506 0.601 -11.010 1.00 0.52 H new ATOM 0 HD13 LEU A 83 7.896 1.260 -10.635 1.00 0.52 H new ATOM 0 HD21 LEU A 83 7.822 3.115 -13.025 1.00 0.53 H new ATOM 0 HD22 LEU A 83 7.340 3.648 -11.397 1.00 0.53 H new ATOM 0 HD23 LEU A 83 8.573 4.557 -12.302 1.00 0.53 H new ATOM 1287 N LYS A 84 9.721 3.906 -6.779 1.00 0.40 N ATOM 1288 CA LYS A 84 10.413 3.789 -5.501 1.00 0.42 C ATOM 1289 C LYS A 84 9.817 2.601 -4.769 1.00 0.39 C ATOM 1290 O LYS A 84 10.553 1.723 -4.335 1.00 0.47 O ATOM 1291 CB LYS A 84 10.334 5.067 -4.655 1.00 0.46 C ATOM 1292 CG LYS A 84 11.486 6.031 -4.962 1.00 0.57 C ATOM 1293 CD LYS A 84 11.354 6.691 -6.334 1.00 1.28 C ATOM 1294 CE LYS A 84 12.384 7.803 -6.557 1.00 1.33 C ATOM 1295 NZ LYS A 84 12.091 8.993 -5.727 1.00 1.41 N ATOM 0 H LYS A 84 9.158 4.748 -6.902 1.00 0.40 H new ATOM 0 HA LYS A 84 11.477 3.638 -5.683 1.00 0.42 H new ATOM 0 HB2 LYS A 84 9.383 5.567 -4.841 1.00 0.46 H new ATOM 0 HB3 LYS A 84 10.354 4.804 -3.597 1.00 0.46 H new ATOM 0 HG2 LYS A 84 11.522 6.804 -4.194 1.00 0.57 H new ATOM 0 HG3 LYS A 84 12.430 5.489 -4.914 1.00 0.57 H new ATOM 0 HD2 LYS A 84 11.469 5.934 -7.109 1.00 1.28 H new ATOM 0 HD3 LYS A 84 10.351 7.104 -6.439 1.00 1.28 H new ATOM 0 HE2 LYS A 84 13.380 7.430 -6.320 1.00 1.33 H new ATOM 0 HE3 LYS A 84 12.392 8.086 -7.610 1.00 1.33 H new ATOM 0 HZ1 LYS A 84 12.037 9.835 -6.335 1.00 1.41 H new ATOM 0 HZ2 LYS A 84 11.183 8.860 -5.238 1.00 1.41 H new ATOM 0 HZ3 LYS A 84 12.847 9.121 -5.024 1.00 1.41 H new ATOM 1309 N VAL A 85 8.491 2.545 -4.664 1.00 0.34 N ATOM 1310 CA VAL A 85 7.834 1.405 -4.048 1.00 0.30 C ATOM 1311 C VAL A 85 8.214 0.125 -4.763 1.00 0.27 C ATOM 1312 O VAL A 85 8.605 -0.823 -4.104 1.00 0.36 O ATOM 1313 CB VAL A 85 6.320 1.628 -3.986 1.00 0.32 C ATOM 1314 CG1 VAL A 85 5.521 0.435 -3.443 1.00 0.37 C ATOM 1315 CG2 VAL A 85 6.139 2.815 -3.050 1.00 0.47 C ATOM 0 H VAL A 85 7.858 3.273 -4.996 1.00 0.34 H new ATOM 0 HA VAL A 85 8.177 1.303 -3.019 1.00 0.30 H new ATOM 0 HB VAL A 85 5.940 1.784 -4.996 1.00 0.32 H new ATOM 0 HG11 VAL A 85 4.459 0.682 -3.435 1.00 0.37 H new ATOM 0 HG12 VAL A 85 5.687 -0.434 -4.080 1.00 0.37 H new ATOM 0 HG13 VAL A 85 5.849 0.209 -2.428 1.00 0.37 H new ATOM 0 HG21 VAL A 85 5.077 3.041 -2.951 1.00 0.47 H new ATOM 0 HG22 VAL A 85 6.552 2.572 -2.071 1.00 0.47 H new ATOM 0 HG23 VAL A 85 6.658 3.682 -3.458 1.00 0.47 H new ATOM 1325 N GLN A 86 8.114 0.061 -6.087 1.00 0.30 N ATOM 1326 CA GLN A 86 8.338 -1.196 -6.775 1.00 0.30 C ATOM 1327 C GLN A 86 9.765 -1.694 -6.565 1.00 0.33 C ATOM 1328 O GLN A 86 9.968 -2.839 -6.178 1.00 0.41 O ATOM 1329 CB GLN A 86 8.036 -1.055 -8.276 1.00 0.36 C ATOM 1330 CG GLN A 86 6.997 -2.084 -8.720 1.00 0.72 C ATOM 1331 CD GLN A 86 7.216 -2.523 -10.162 1.00 1.03 C ATOM 1332 OE1 GLN A 86 7.909 -3.495 -10.420 1.00 1.90 O ATOM 1333 NE2 GLN A 86 6.642 -1.820 -11.129 1.00 2.21 N ATOM 0 H GLN A 86 7.884 0.850 -6.691 1.00 0.30 H new ATOM 0 HA GLN A 86 7.657 -1.933 -6.350 1.00 0.30 H new ATOM 0 HB2 GLN A 86 7.671 -0.049 -8.485 1.00 0.36 H new ATOM 0 HB3 GLN A 86 8.953 -1.187 -8.850 1.00 0.36 H new ATOM 0 HG2 GLN A 86 7.043 -2.954 -8.064 1.00 0.72 H new ATOM 0 HG3 GLN A 86 5.998 -1.660 -8.617 1.00 0.72 H new ATOM 0 HE21 GLN A 86 6.066 -1.011 -10.898 1.00 2.21 H new ATOM 0 HE22 GLN A 86 6.777 -2.089 -12.104 1.00 2.21 H new ATOM 1342 N LYS A 87 10.768 -0.856 -6.839 1.00 0.37 N ATOM 1343 CA LYS A 87 12.152 -1.299 -6.753 1.00 0.54 C ATOM 1344 C LYS A 87 12.489 -1.682 -5.311 1.00 0.50 C ATOM 1345 O LYS A 87 13.201 -2.654 -5.081 1.00 0.54 O ATOM 1346 CB LYS A 87 13.105 -0.245 -7.349 1.00 0.87 C ATOM 1347 CG LYS A 87 13.587 0.781 -6.316 1.00 0.96 C ATOM 1348 CD LYS A 87 14.525 1.820 -6.927 1.00 0.85 C ATOM 1349 CE LYS A 87 15.326 2.431 -5.772 1.00 2.35 C ATOM 1350 NZ LYS A 87 16.323 3.414 -6.246 1.00 2.49 N ATOM 0 H LYS A 87 10.646 0.118 -7.118 1.00 0.37 H new ATOM 0 HA LYS A 87 12.288 -2.196 -7.357 1.00 0.54 H new ATOM 0 HB2 LYS A 87 13.969 -0.749 -7.783 1.00 0.87 H new ATOM 0 HB3 LYS A 87 12.599 0.276 -8.161 1.00 0.87 H new ATOM 0 HG2 LYS A 87 12.725 1.285 -5.878 1.00 0.96 H new ATOM 0 HG3 LYS A 87 14.100 0.264 -5.505 1.00 0.96 H new ATOM 0 HD2 LYS A 87 15.190 1.358 -7.656 1.00 0.85 H new ATOM 0 HD3 LYS A 87 13.959 2.589 -7.454 1.00 0.85 H new ATOM 0 HE2 LYS A 87 14.643 2.916 -5.074 1.00 2.35 H new ATOM 0 HE3 LYS A 87 15.833 1.637 -5.223 1.00 2.35 H new ATOM 0 HZ1 LYS A 87 16.842 3.802 -5.432 1.00 2.49 H new ATOM 0 HZ2 LYS A 87 16.991 2.947 -6.892 1.00 2.49 H new ATOM 0 HZ3 LYS A 87 15.839 4.186 -6.748 1.00 2.49 H new ATOM 1364 N ASN A 88 12.000 -0.901 -4.344 1.00 0.47 N ATOM 1365 CA ASN A 88 12.264 -1.137 -2.931 1.00 0.47 C ATOM 1366 C ASN A 88 11.496 -2.362 -2.437 1.00 0.58 C ATOM 1367 O ASN A 88 11.919 -2.987 -1.473 1.00 0.99 O ATOM 1368 CB ASN A 88 11.845 0.071 -2.077 1.00 0.44 C ATOM 1369 CG ASN A 88 12.672 1.334 -2.305 1.00 0.45 C ATOM 1370 OD1 ASN A 88 13.588 1.385 -3.123 1.00 0.87 O ATOM 1371 ND2 ASN A 88 12.369 2.390 -1.557 1.00 0.87 N ATOM 0 H ASN A 88 11.410 -0.088 -4.524 1.00 0.47 H new ATOM 0 HA ASN A 88 13.337 -1.301 -2.829 1.00 0.47 H new ATOM 0 HB2 ASN A 88 10.798 0.297 -2.281 1.00 0.44 H new ATOM 0 HB3 ASN A 88 11.912 -0.205 -1.025 1.00 0.44 H new ATOM 0 HD21 ASN A 88 12.899 3.256 -1.658 1.00 0.87 H new ATOM 0 HD22 ASN A 88 11.606 2.335 -0.882 1.00 0.87 H new ATOM 1378 N ALA A 89 10.350 -2.660 -3.054 1.00 0.34 N ATOM 1379 CA ALA A 89 9.383 -3.653 -2.621 1.00 0.39 C ATOM 1380 C ALA A 89 8.826 -4.371 -3.850 1.00 0.42 C ATOM 1381 O ALA A 89 7.684 -4.119 -4.253 1.00 0.41 O ATOM 1382 CB ALA A 89 8.241 -2.971 -1.863 1.00 0.41 C ATOM 0 H ALA A 89 10.064 -2.188 -3.911 1.00 0.34 H new ATOM 0 HA ALA A 89 9.867 -4.371 -1.960 1.00 0.39 H new ATOM 0 HB1 ALA A 89 7.519 -3.721 -1.541 1.00 0.41 H new ATOM 0 HB2 ALA A 89 8.641 -2.454 -0.991 1.00 0.41 H new ATOM 0 HB3 ALA A 89 7.749 -2.251 -2.517 1.00 0.41 H new ATOM 1388 N PRO A 90 9.613 -5.266 -4.459 1.00 0.51 N ATOM 1389 CA PRO A 90 9.295 -5.891 -5.736 1.00 0.60 C ATOM 1390 C PRO A 90 8.268 -7.008 -5.535 1.00 0.78 C ATOM 1391 O PRO A 90 8.592 -8.185 -5.664 1.00 1.86 O ATOM 1392 CB PRO A 90 10.648 -6.400 -6.250 1.00 0.67 C ATOM 1393 CG PRO A 90 11.404 -6.734 -4.963 1.00 0.66 C ATOM 1394 CD PRO A 90 10.955 -5.618 -4.026 1.00 0.57 C ATOM 0 HA PRO A 90 8.836 -5.214 -6.456 1.00 0.60 H new ATOM 0 HB2 PRO A 90 10.533 -7.276 -6.889 1.00 0.67 H new ATOM 0 HB3 PRO A 90 11.167 -5.643 -6.838 1.00 0.67 H new ATOM 0 HG2 PRO A 90 11.139 -7.719 -4.579 1.00 0.66 H new ATOM 0 HG3 PRO A 90 12.484 -6.730 -5.113 1.00 0.66 H new ATOM 0 HD2 PRO A 90 10.958 -5.951 -2.988 1.00 0.57 H new ATOM 0 HD3 PRO A 90 11.625 -4.760 -4.087 1.00 0.57 H new ATOM 1402 N LYS A 91 7.033 -6.633 -5.179 1.00 0.61 N ATOM 1403 CA LYS A 91 5.972 -7.504 -4.680 1.00 0.56 C ATOM 1404 C LYS A 91 4.833 -6.693 -4.072 1.00 0.51 C ATOM 1405 O LYS A 91 3.701 -6.855 -4.508 1.00 0.59 O ATOM 1406 CB LYS A 91 6.487 -8.565 -3.691 1.00 0.59 C ATOM 1407 CG LYS A 91 7.400 -7.983 -2.596 1.00 1.11 C ATOM 1408 CD LYS A 91 8.707 -8.765 -2.429 1.00 1.42 C ATOM 1409 CE LYS A 91 8.533 -9.866 -1.380 1.00 1.69 C ATOM 1410 NZ LYS A 91 9.840 -10.351 -0.895 1.00 2.18 N ATOM 0 H LYS A 91 6.735 -5.659 -5.236 1.00 0.61 H new ATOM 0 HA LYS A 91 5.585 -8.045 -5.543 1.00 0.56 H new ATOM 0 HB2 LYS A 91 5.636 -9.057 -3.221 1.00 0.59 H new ATOM 0 HB3 LYS A 91 7.034 -9.330 -4.242 1.00 0.59 H new ATOM 0 HG2 LYS A 91 7.632 -6.946 -2.837 1.00 1.11 H new ATOM 0 HG3 LYS A 91 6.863 -7.977 -1.648 1.00 1.11 H new ATOM 0 HD2 LYS A 91 9.001 -9.204 -3.382 1.00 1.42 H new ATOM 0 HD3 LYS A 91 9.508 -8.089 -2.129 1.00 1.42 H new ATOM 0 HE2 LYS A 91 7.950 -9.485 -0.542 1.00 1.69 H new ATOM 0 HE3 LYS A 91 7.971 -10.695 -1.809 1.00 1.69 H new ATOM 0 HZ1 LYS A 91 9.711 -11.250 -0.389 1.00 2.18 H new ATOM 0 HZ2 LYS A 91 10.478 -10.497 -1.703 1.00 2.18 H new ATOM 0 HZ3 LYS A 91 10.254 -9.648 -0.250 1.00 2.18 H new ATOM 1424 N THR A 92 5.083 -5.814 -3.097 1.00 0.40 N ATOM 1425 CA THR A 92 4.010 -5.043 -2.466 1.00 0.34 C ATOM 1426 C THR A 92 3.234 -4.259 -3.509 1.00 0.42 C ATOM 1427 O THR A 92 2.007 -4.244 -3.509 1.00 0.48 O ATOM 1428 CB THR A 92 4.596 -4.078 -1.439 1.00 0.26 C ATOM 1429 OG1 THR A 92 5.562 -4.775 -0.697 1.00 0.26 O ATOM 1430 CG2 THR A 92 3.529 -3.538 -0.486 1.00 0.28 C ATOM 0 H THR A 92 6.014 -5.620 -2.730 1.00 0.40 H new ATOM 0 HA THR A 92 3.333 -5.738 -1.969 1.00 0.34 H new ATOM 0 HB THR A 92 5.028 -3.226 -1.965 1.00 0.26 H new ATOM 0 HG1 THR A 92 5.149 -5.148 0.109 1.00 0.26 H new ATOM 0 HG21 THR A 92 3.990 -2.855 0.228 1.00 0.28 H new ATOM 0 HG22 THR A 92 2.767 -3.006 -1.056 1.00 0.28 H new ATOM 0 HG23 THR A 92 3.068 -4.367 0.051 1.00 0.28 H new ATOM 1438 N PHE A 93 3.955 -3.629 -4.434 1.00 0.45 N ATOM 1439 CA PHE A 93 3.292 -2.929 -5.523 1.00 0.53 C ATOM 1440 C PHE A 93 2.393 -3.870 -6.294 1.00 0.58 C ATOM 1441 O PHE A 93 1.232 -3.570 -6.565 1.00 0.62 O ATOM 1442 CB PHE A 93 4.345 -2.354 -6.461 1.00 0.56 C ATOM 1443 CG PHE A 93 3.840 -1.224 -7.329 1.00 0.74 C ATOM 1444 CD1 PHE A 93 3.129 -1.493 -8.514 1.00 1.55 C ATOM 1445 CD2 PHE A 93 4.117 0.104 -6.967 1.00 1.88 C ATOM 1446 CE1 PHE A 93 2.700 -0.433 -9.332 1.00 1.65 C ATOM 1447 CE2 PHE A 93 3.689 1.160 -7.782 1.00 2.01 C ATOM 1448 CZ PHE A 93 2.980 0.894 -8.966 1.00 1.17 C ATOM 0 H PHE A 93 4.974 -3.590 -4.450 1.00 0.45 H new ATOM 0 HA PHE A 93 2.681 -2.128 -5.107 1.00 0.53 H new ATOM 0 HB2 PHE A 93 5.188 -1.996 -5.870 1.00 0.56 H new ATOM 0 HB3 PHE A 93 4.721 -3.151 -7.102 1.00 0.56 H new ATOM 0 HD1 PHE A 93 2.913 -2.513 -8.795 1.00 1.55 H new ATOM 0 HD2 PHE A 93 4.661 0.312 -6.058 1.00 1.88 H new ATOM 0 HE1 PHE A 93 2.155 -0.639 -10.242 1.00 1.65 H new ATOM 0 HE2 PHE A 93 3.904 2.180 -7.500 1.00 2.01 H new ATOM 0 HZ PHE A 93 2.651 1.709 -9.594 1.00 1.17 H new ATOM 1458 N GLN A 94 2.958 -5.018 -6.650 1.00 0.59 N ATOM 1459 CA GLN A 94 2.238 -6.014 -7.407 1.00 0.66 C ATOM 1460 C GLN A 94 0.996 -6.485 -6.645 1.00 0.59 C ATOM 1461 O GLN A 94 0.021 -6.873 -7.271 1.00 0.59 O ATOM 1462 CB GLN A 94 3.158 -7.192 -7.756 1.00 0.72 C ATOM 1463 CG GLN A 94 2.691 -7.842 -9.064 1.00 1.16 C ATOM 1464 CD GLN A 94 3.410 -9.156 -9.347 1.00 1.21 C ATOM 1465 OE1 GLN A 94 4.448 -9.455 -8.768 1.00 1.24 O ATOM 1466 NE2 GLN A 94 2.870 -9.969 -10.244 1.00 1.64 N ATOM 0 H GLN A 94 3.918 -5.275 -6.421 1.00 0.59 H new ATOM 0 HA GLN A 94 1.901 -5.562 -8.340 1.00 0.66 H new ATOM 0 HB2 GLN A 94 4.186 -6.845 -7.858 1.00 0.72 H new ATOM 0 HB3 GLN A 94 3.147 -7.926 -6.950 1.00 0.72 H new ATOM 0 HG2 GLN A 94 1.617 -8.022 -9.014 1.00 1.16 H new ATOM 0 HG3 GLN A 94 2.861 -7.152 -9.891 1.00 1.16 H new ATOM 0 HE21 GLN A 94 2.006 -9.705 -10.717 1.00 1.64 H new ATOM 0 HE22 GLN A 94 3.319 -10.859 -10.461 1.00 1.64 H new ATOM 1475 N PHE A 95 1.019 -6.452 -5.308 1.00 0.55 N ATOM 1476 CA PHE A 95 -0.057 -6.942 -4.457 1.00 0.51 C ATOM 1477 C PHE A 95 -1.310 -6.114 -4.710 1.00 0.52 C ATOM 1478 O PHE A 95 -2.364 -6.648 -5.051 1.00 0.56 O ATOM 1479 CB PHE A 95 0.397 -6.857 -2.989 1.00 0.53 C ATOM 1480 CG PHE A 95 -0.437 -7.586 -1.953 1.00 0.66 C ATOM 1481 CD1 PHE A 95 -1.785 -7.244 -1.731 1.00 0.70 C ATOM 1482 CD2 PHE A 95 0.185 -8.528 -1.113 1.00 0.90 C ATOM 1483 CE1 PHE A 95 -2.508 -7.858 -0.693 1.00 0.91 C ATOM 1484 CE2 PHE A 95 -0.528 -9.117 -0.056 1.00 1.12 C ATOM 1485 CZ PHE A 95 -1.879 -8.791 0.149 1.00 1.10 C ATOM 0 H PHE A 95 1.807 -6.074 -4.781 1.00 0.55 H new ATOM 0 HA PHE A 95 -0.292 -7.982 -4.683 1.00 0.51 H new ATOM 0 HB2 PHE A 95 1.416 -7.240 -2.930 1.00 0.53 H new ATOM 0 HB3 PHE A 95 0.435 -5.804 -2.709 1.00 0.53 H new ATOM 0 HD1 PHE A 95 -2.265 -6.508 -2.360 1.00 0.70 H new ATOM 0 HD2 PHE A 95 1.217 -8.800 -1.282 1.00 0.90 H new ATOM 0 HE1 PHE A 95 -3.549 -7.612 -0.542 1.00 0.91 H new ATOM 0 HE2 PHE A 95 -0.037 -9.821 0.600 1.00 1.12 H new ATOM 0 HZ PHE A 95 -2.433 -9.256 0.951 1.00 1.10 H new ATOM 1495 N ILE A 96 -1.203 -4.796 -4.530 1.00 0.53 N ATOM 1496 CA ILE A 96 -2.314 -3.900 -4.802 1.00 0.59 C ATOM 1497 C ILE A 96 -2.693 -4.032 -6.273 1.00 0.61 C ATOM 1498 O ILE A 96 -3.874 -4.082 -6.593 1.00 0.67 O ATOM 1499 CB ILE A 96 -1.967 -2.450 -4.416 1.00 0.66 C ATOM 1500 CG1 ILE A 96 -1.941 -2.254 -2.889 1.00 0.84 C ATOM 1501 CG2 ILE A 96 -3.022 -1.476 -4.936 1.00 0.70 C ATOM 1502 CD1 ILE A 96 -0.589 -2.594 -2.283 1.00 0.77 C ATOM 0 H ILE A 96 -0.358 -4.332 -4.198 1.00 0.53 H new ATOM 0 HA ILE A 96 -3.173 -4.176 -4.191 1.00 0.59 H new ATOM 0 HB ILE A 96 -0.987 -2.258 -4.853 1.00 0.66 H new ATOM 0 HG12 ILE A 96 -2.191 -1.219 -2.654 1.00 0.84 H new ATOM 0 HG13 ILE A 96 -2.708 -2.879 -2.432 1.00 0.84 H new ATOM 0 HG21 ILE A 96 -2.752 -0.460 -4.649 1.00 0.70 H new ATOM 0 HG22 ILE A 96 -3.076 -1.544 -6.023 1.00 0.70 H new ATOM 0 HG23 ILE A 96 -3.992 -1.728 -4.508 1.00 0.70 H new ATOM 0 HD11 ILE A 96 -0.624 -2.439 -1.205 1.00 0.77 H new ATOM 0 HD12 ILE A 96 -0.348 -3.636 -2.492 1.00 0.77 H new ATOM 0 HD13 ILE A 96 0.176 -1.951 -2.717 1.00 0.77 H new ATOM 1514 N ASN A 97 -1.704 -4.092 -7.169 1.00 0.62 N ATOM 1515 CA ASN A 97 -1.972 -4.173 -8.602 1.00 0.69 C ATOM 1516 C ASN A 97 -2.853 -5.385 -8.945 1.00 0.73 C ATOM 1517 O ASN A 97 -3.708 -5.309 -9.822 1.00 0.85 O ATOM 1518 CB ASN A 97 -0.641 -4.199 -9.368 1.00 0.71 C ATOM 1519 CG ASN A 97 -0.757 -3.593 -10.762 1.00 0.86 C ATOM 1520 OD1 ASN A 97 -1.835 -3.309 -11.262 1.00 1.61 O ATOM 1521 ND2 ASN A 97 0.374 -3.330 -11.404 1.00 1.90 N ATOM 0 H ASN A 97 -0.714 -4.086 -6.925 1.00 0.62 H new ATOM 0 HA ASN A 97 -2.534 -3.290 -8.908 1.00 0.69 H new ATOM 0 HB2 ASN A 97 0.112 -3.653 -8.800 1.00 0.71 H new ATOM 0 HB3 ASN A 97 -0.293 -5.229 -9.451 1.00 0.71 H new ATOM 0 HD21 ASN A 97 0.348 -2.887 -12.323 1.00 1.90 H new ATOM 0 HD22 ASN A 97 1.269 -3.571 -10.979 1.00 1.90 H new ATOM 1528 N ASP A 98 -2.651 -6.502 -8.238 1.00 0.66 N ATOM 1529 CA ASP A 98 -3.442 -7.726 -8.353 1.00 0.70 C ATOM 1530 C ASP A 98 -4.906 -7.415 -8.045 1.00 0.75 C ATOM 1531 O ASP A 98 -5.816 -7.780 -8.788 1.00 0.85 O ATOM 1532 CB ASP A 98 -2.909 -8.782 -7.362 1.00 0.71 C ATOM 1533 CG ASP A 98 -2.745 -10.166 -7.985 1.00 0.89 C ATOM 1534 OD1 ASP A 98 -1.632 -10.438 -8.492 1.00 2.13 O ATOM 1535 OD2 ASP A 98 -3.707 -10.958 -7.895 1.00 1.70 O ATOM 0 H ASP A 98 -1.905 -6.578 -7.546 1.00 0.66 H new ATOM 0 HA ASP A 98 -3.363 -8.118 -9.367 1.00 0.70 H new ATOM 0 HB2 ASP A 98 -1.947 -8.451 -6.971 1.00 0.71 H new ATOM 0 HB3 ASP A 98 -3.591 -8.851 -6.514 1.00 0.71 H new ATOM 1540 N GLN A 99 -5.135 -6.731 -6.921 1.00 0.72 N ATOM 1541 CA GLN A 99 -6.468 -6.356 -6.487 1.00 0.83 C ATOM 1542 C GLN A 99 -6.958 -5.150 -7.291 1.00 0.90 C ATOM 1543 O GLN A 99 -6.859 -4.006 -6.848 1.00 1.64 O ATOM 1544 CB GLN A 99 -6.465 -6.058 -4.981 1.00 0.90 C ATOM 1545 CG GLN A 99 -6.436 -7.344 -4.144 1.00 1.08 C ATOM 1546 CD GLN A 99 -7.826 -7.966 -4.010 1.00 1.58 C ATOM 1547 OE1 GLN A 99 -8.559 -8.110 -4.980 1.00 2.22 O ATOM 1548 NE2 GLN A 99 -8.233 -8.336 -2.801 1.00 2.64 N ATOM 0 H GLN A 99 -4.394 -6.425 -6.290 1.00 0.72 H new ATOM 0 HA GLN A 99 -7.154 -7.184 -6.666 1.00 0.83 H new ATOM 0 HB2 GLN A 99 -5.599 -5.444 -4.734 1.00 0.90 H new ATOM 0 HB3 GLN A 99 -7.351 -5.477 -4.724 1.00 0.90 H new ATOM 0 HG2 GLN A 99 -5.759 -8.063 -4.606 1.00 1.08 H new ATOM 0 HG3 GLN A 99 -6.039 -7.124 -3.153 1.00 1.08 H new ATOM 0 HE21 GLN A 99 -7.618 -8.214 -1.996 1.00 2.64 H new ATOM 0 HE22 GLN A 99 -9.160 -8.742 -2.677 1.00 2.64 H new ATOM 1557 N ILE A 100 -7.525 -5.423 -8.468 1.00 1.30 N ATOM 1558 CA ILE A 100 -8.021 -4.413 -9.397 1.00 1.38 C ATOM 1559 C ILE A 100 -8.839 -3.333 -8.676 1.00 1.69 C ATOM 1560 O ILE A 100 -9.785 -3.618 -7.942 1.00 2.94 O ATOM 1561 CB ILE A 100 -8.796 -5.073 -10.556 1.00 2.81 C ATOM 1562 CG1 ILE A 100 -10.016 -5.905 -10.107 1.00 4.30 C ATOM 1563 CG2 ILE A 100 -7.844 -5.964 -11.368 1.00 3.56 C ATOM 1564 CD1 ILE A 100 -11.336 -5.160 -10.324 1.00 5.48 C ATOM 0 H ILE A 100 -7.654 -6.376 -8.807 1.00 1.30 H new ATOM 0 HA ILE A 100 -7.164 -3.900 -9.834 1.00 1.38 H new ATOM 0 HB ILE A 100 -9.188 -4.257 -11.163 1.00 2.81 H new ATOM 0 HG12 ILE A 100 -10.036 -6.844 -10.659 1.00 4.30 H new ATOM 0 HG13 ILE A 100 -9.913 -6.158 -9.052 1.00 4.30 H new ATOM 0 HG21 ILE A 100 -8.392 -6.430 -12.187 1.00 3.56 H new ATOM 0 HG22 ILE A 100 -7.034 -5.357 -11.772 1.00 3.56 H new ATOM 0 HG23 ILE A 100 -7.430 -6.738 -10.722 1.00 3.56 H new ATOM 0 HD11 ILE A 100 -12.165 -5.785 -9.993 1.00 5.48 H new ATOM 0 HD12 ILE A 100 -11.329 -4.233 -9.750 1.00 5.48 H new ATOM 0 HD13 ILE A 100 -11.454 -4.931 -11.383 1.00 5.48 H new ATOM 1576 N LYS A 101 -8.462 -2.066 -8.870 1.00 2.37 N ATOM 1577 CA LYS A 101 -9.066 -0.942 -8.166 1.00 3.76 C ATOM 1578 C LYS A 101 -10.418 -0.601 -8.786 1.00 3.44 C ATOM 1579 O LYS A 101 -10.537 0.385 -9.510 1.00 4.28 O ATOM 1580 CB LYS A 101 -8.075 0.237 -8.199 1.00 5.71 C ATOM 1581 CG LYS A 101 -8.550 1.554 -7.560 1.00 7.57 C ATOM 1582 CD LYS A 101 -9.072 1.406 -6.123 1.00 8.52 C ATOM 1583 CE LYS A 101 -10.596 1.548 -6.031 1.00 9.35 C ATOM 1584 NZ LYS A 101 -11.054 2.909 -6.390 1.00 10.94 N ATOM 0 H LYS A 101 -7.727 -1.795 -9.523 1.00 2.37 H new ATOM 0 HA LYS A 101 -9.263 -1.191 -7.123 1.00 3.76 H new ATOM 0 HB2 LYS A 101 -7.159 -0.074 -7.697 1.00 5.71 H new ATOM 0 HB3 LYS A 101 -7.817 0.436 -9.239 1.00 5.71 H new ATOM 0 HG2 LYS A 101 -7.723 2.265 -7.563 1.00 7.57 H new ATOM 0 HG3 LYS A 101 -9.339 1.981 -8.179 1.00 7.57 H new ATOM 0 HD2 LYS A 101 -8.777 0.432 -5.732 1.00 8.52 H new ATOM 0 HD3 LYS A 101 -8.602 2.159 -5.490 1.00 8.52 H new ATOM 0 HE2 LYS A 101 -11.067 0.822 -6.693 1.00 9.35 H new ATOM 0 HE3 LYS A 101 -10.920 1.313 -5.017 1.00 9.35 H new ATOM 0 HZ1 LYS A 101 -11.999 3.075 -5.988 1.00 10.94 H new ATOM 0 HZ2 LYS A 101 -10.388 3.611 -6.009 1.00 10.94 H new ATOM 0 HZ3 LYS A 101 -11.097 2.999 -7.425 1.00 10.94 H new ATOM 1598 N PHE A 102 -11.465 -1.357 -8.457 1.00 2.93 N ATOM 1599 CA PHE A 102 -12.799 -1.082 -8.966 1.00 3.12 C ATOM 1600 C PHE A 102 -13.823 -1.371 -7.873 1.00 2.72 C ATOM 1601 O PHE A 102 -14.146 -2.526 -7.615 1.00 2.71 O ATOM 1602 CB PHE A 102 -13.045 -1.912 -10.233 1.00 3.73 C ATOM 1603 CG PHE A 102 -14.086 -1.308 -11.148 1.00 4.43 C ATOM 1604 CD1 PHE A 102 -13.762 -0.155 -11.887 1.00 5.34 C ATOM 1605 CD2 PHE A 102 -15.363 -1.884 -11.269 1.00 4.95 C ATOM 1606 CE1 PHE A 102 -14.712 0.422 -12.746 1.00 6.41 C ATOM 1607 CE2 PHE A 102 -16.314 -1.306 -12.129 1.00 6.03 C ATOM 1608 CZ PHE A 102 -15.989 -0.153 -12.866 1.00 6.63 C ATOM 0 H PHE A 102 -11.410 -2.166 -7.838 1.00 2.93 H new ATOM 0 HA PHE A 102 -12.897 -0.032 -9.241 1.00 3.12 H new ATOM 0 HB2 PHE A 102 -12.107 -2.016 -10.779 1.00 3.73 H new ATOM 0 HB3 PHE A 102 -13.360 -2.915 -9.947 1.00 3.73 H new ATOM 0 HD1 PHE A 102 -12.781 0.287 -11.794 1.00 5.34 H new ATOM 0 HD2 PHE A 102 -15.613 -2.769 -10.702 1.00 4.95 H new ATOM 0 HE1 PHE A 102 -14.462 1.306 -13.313 1.00 6.41 H new ATOM 0 HE2 PHE A 102 -17.295 -1.748 -12.224 1.00 6.03 H new ATOM 0 HZ PHE A 102 -16.721 0.291 -13.524 1.00 6.63 H new ATOM 1618 N ILE A 103 -14.302 -0.328 -7.186 1.00 2.87 N ATOM 1619 CA ILE A 103 -15.249 -0.480 -6.092 1.00 2.61 C ATOM 1620 C ILE A 103 -16.208 0.716 -6.024 1.00 2.80 C ATOM 1621 O ILE A 103 -16.696 1.091 -4.962 1.00 3.73 O ATOM 1622 CB ILE A 103 -14.455 -0.748 -4.803 1.00 2.58 C ATOM 1623 CG1 ILE A 103 -15.305 -1.263 -3.634 1.00 2.52 C ATOM 1624 CG2 ILE A 103 -13.693 0.497 -4.366 1.00 2.84 C ATOM 1625 CD1 ILE A 103 -16.148 -2.480 -4.016 1.00 3.43 C ATOM 0 H ILE A 103 -14.041 0.639 -7.377 1.00 2.87 H new ATOM 0 HA ILE A 103 -15.904 -1.337 -6.250 1.00 2.61 H new ATOM 0 HB ILE A 103 -13.760 -1.547 -5.059 1.00 2.58 H new ATOM 0 HG12 ILE A 103 -14.652 -1.524 -2.801 1.00 2.52 H new ATOM 0 HG13 ILE A 103 -15.961 -0.465 -3.287 1.00 2.52 H new ATOM 0 HG21 ILE A 103 -13.139 0.282 -3.452 1.00 2.84 H new ATOM 0 HG22 ILE A 103 -12.997 0.792 -5.151 1.00 2.84 H new ATOM 0 HG23 ILE A 103 -14.397 1.308 -4.182 1.00 2.84 H new ATOM 0 HD11 ILE A 103 -16.730 -2.805 -3.154 1.00 3.43 H new ATOM 0 HD12 ILE A 103 -16.822 -2.214 -4.830 1.00 3.43 H new ATOM 0 HD13 ILE A 103 -15.493 -3.290 -4.337 1.00 3.43 H new ATOM 1637 N ILE A 104 -16.474 1.353 -7.162 1.00 2.80 N ATOM 1638 CA ILE A 104 -17.369 2.497 -7.232 1.00 3.00 C ATOM 1639 C ILE A 104 -17.911 2.550 -8.657 1.00 3.53 C ATOM 1640 O ILE A 104 -17.184 2.180 -9.576 1.00 4.31 O ATOM 1641 CB ILE A 104 -16.611 3.775 -6.815 1.00 3.86 C ATOM 1642 CG1 ILE A 104 -17.572 4.975 -6.767 1.00 5.10 C ATOM 1643 CG2 ILE A 104 -15.408 4.063 -7.731 1.00 4.47 C ATOM 1644 CD1 ILE A 104 -17.005 6.132 -5.937 1.00 6.47 C ATOM 0 H ILE A 104 -16.072 1.087 -8.061 1.00 2.80 H new ATOM 0 HA ILE A 104 -18.209 2.412 -6.543 1.00 3.00 H new ATOM 0 HB ILE A 104 -16.210 3.608 -5.815 1.00 3.86 H new ATOM 0 HG12 ILE A 104 -17.772 5.320 -7.781 1.00 5.10 H new ATOM 0 HG13 ILE A 104 -18.526 4.659 -6.344 1.00 5.10 H new ATOM 0 HG21 ILE A 104 -14.906 4.972 -7.398 1.00 4.47 H new ATOM 0 HG22 ILE A 104 -14.710 3.227 -7.689 1.00 4.47 H new ATOM 0 HG23 ILE A 104 -15.754 4.195 -8.756 1.00 4.47 H new ATOM 0 HD11 ILE A 104 -17.716 6.958 -5.930 1.00 6.47 H new ATOM 0 HD12 ILE A 104 -16.830 5.795 -4.915 1.00 6.47 H new ATOM 0 HD13 ILE A 104 -16.065 6.467 -6.374 1.00 6.47 H new ATOM 1656 N ASN A 105 -19.159 2.999 -8.830 1.00 4.05 N ATOM 1657 CA ASN A 105 -19.915 2.903 -10.079 1.00 5.35 C ATOM 1658 C ASN A 105 -19.948 1.463 -10.589 1.00 6.50 C ATOM 1659 O ASN A 105 -19.154 1.067 -11.438 1.00 7.07 O ATOM 1660 CB ASN A 105 -19.393 3.889 -11.132 1.00 5.96 C ATOM 1661 CG ASN A 105 -19.703 5.324 -10.736 1.00 6.49 C ATOM 1662 OD1 ASN A 105 -20.838 5.651 -10.412 1.00 7.20 O ATOM 1663 ND2 ASN A 105 -18.715 6.207 -10.737 1.00 6.93 N ATOM 0 H ASN A 105 -19.684 3.452 -8.082 1.00 4.05 H new ATOM 0 HA ASN A 105 -20.946 3.192 -9.874 1.00 5.35 H new ATOM 0 HB2 ASN A 105 -18.316 3.765 -11.249 1.00 5.96 H new ATOM 0 HB3 ASN A 105 -19.847 3.669 -12.098 1.00 5.96 H new ATOM 0 HD21 ASN A 105 -18.895 7.174 -10.465 1.00 6.93 H new ATOM 0 HD22 ASN A 105 -17.775 5.920 -11.009 1.00 6.93 H new ATOM 1670 N SER A 106 -20.902 0.689 -10.074 1.00 7.73 N ATOM 1671 CA SER A 106 -21.165 -0.684 -10.468 1.00 9.61 C ATOM 1672 C SER A 106 -22.665 -0.920 -10.330 1.00 10.68 C ATOM 1673 O SER A 106 -23.061 -2.081 -10.572 1.00 11.98 O ATOM 1674 CB SER A 106 -20.376 -1.636 -9.564 1.00 10.30 C ATOM 1675 OG SER A 106 -20.496 -2.962 -10.035 1.00 11.60 O ATOM 1676 OXT SER A 106 -23.359 0.043 -9.934 1.00 10.49 O ATOM 0 H SER A 106 -21.534 1.018 -9.344 1.00 7.73 H new ATOM 0 HA SER A 106 -20.854 -0.867 -11.497 1.00 9.61 H new ATOM 0 HB2 SER A 106 -19.326 -1.343 -9.542 1.00 10.30 H new ATOM 0 HB3 SER A 106 -20.747 -1.570 -8.541 1.00 10.30 H new ATOM 0 HG SER A 106 -21.404 -3.108 -10.373 1.00 11.60 H new TER 1682 SER A 106