USER MOD reduce.3.24.130724 H: found=0, std=0, add=722, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 720 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 37 ASN :FLIP amide:sc= -0.923 F(o=-2.1,f=-0.9) USER MOD Set 1.2: A 70 TYR OH : rot -90:sc= 0.0257 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 24:sc= 0.884 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 ASN : amide:sc= -0.236 K(o=-0.24,f=-3.9!) USER MOD Single : A 10 GLN : amide:sc= -0.534 K(o=-0.53,f=-1.6) USER MOD Single : A 12 SER OG : rot 180:sc= 0.028 USER MOD Single : A 13 THR OG1 : rot 50:sc= 1.03 USER MOD Single : A 15 LYS NZ :NH3+ -164:sc= -0.0247 (180deg=-0.205) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 MET CE :methyl -149:sc= -0.522 (180deg=-1.29) USER MOD Single : A 27 THR OG1 : rot 180:sc= -2.2 USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 THR OG1 : rot 140:sc= 0.0194 USER MOD Single : A 35 ASN : amide:sc= -4.73! C(o=-4.7!,f=-5.6!) USER MOD Single : A 40 ASN : amide:sc= -0.491 X(o=-0.49,f=-0.069) USER MOD Single : A 42 LYS NZ :NH3+ 156:sc= -0.0695 (180deg=-0.411) USER MOD Single : A 49 THR OG1 : rot 88:sc= 0.0862 USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 GLN :FLIP amide:sc= -7.46! C(o=-9.5!,f=-7.5!) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 64 SER OG : rot 180:sc= 0.0357 USER MOD Single : A 65 GLN : amide:sc= -0.286 X(o=-0.29,f=-0.43) USER MOD Single : A 72 GLN : amide:sc= -0.04 X(o=-0.04,f=0) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 ASN : amide:sc= 0.416 K(o=0.42,f=-1.9!) USER MOD Single : A 84 ASN : amide:sc= 0.277 K(o=0.28,f=-0.6) USER MOD Single : A 85 LYS NZ :NH3+ 158:sc= -0.618 (180deg=-0.647) USER MOD Single : A 87 GLN : amide:sc= -0.661 X(o=-0.66,f=-0.97) USER MOD Single : A 88 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 90 ASN : amide:sc= 0.309 K(o=0.31,f=-5.1!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -18.326 -13.022 -5.252 1.00 0.00 N ATOM 2 CA GLY A 1 -17.162 -12.690 -4.451 1.00 0.00 C ATOM 3 C GLY A 1 -16.509 -13.915 -3.842 1.00 0.00 C ATOM 4 O GLY A 1 -17.029 -14.496 -2.890 1.00 0.00 O ATOM 0 H1 GLY A 1 -18.736 -12.151 -5.646 1.00 0.00 H new ATOM 0 H2 GLY A 1 -18.044 -13.654 -6.028 1.00 0.00 H new ATOM 0 H3 GLY A 1 -19.033 -13.499 -4.656 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -16.435 -12.165 -5.071 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -17.456 -12.005 -3.655 1.00 0.00 H new ATOM 8 N SER A 2 -15.366 -14.310 -4.394 1.00 0.00 N ATOM 9 CA SER A 2 -14.643 -15.478 -3.903 1.00 0.00 C ATOM 10 C SER A 2 -13.179 -15.429 -4.328 1.00 0.00 C ATOM 11 O SER A 2 -12.830 -14.793 -5.322 1.00 0.00 O ATOM 12 CB SER A 2 -15.294 -16.762 -4.421 1.00 0.00 C ATOM 13 OG SER A 2 -16.410 -17.124 -3.626 1.00 0.00 O ATOM 0 H SER A 2 -14.921 -13.839 -5.181 1.00 0.00 H new ATOM 0 HA SER A 2 -14.687 -15.471 -2.814 1.00 0.00 H new ATOM 0 HB2 SER A 2 -15.610 -16.622 -5.455 1.00 0.00 H new ATOM 0 HB3 SER A 2 -14.563 -17.571 -4.418 1.00 0.00 H new ATOM 0 HG SER A 2 -16.763 -16.328 -3.176 1.00 0.00 H new ATOM 19 N SER A 3 -12.325 -16.106 -3.567 1.00 0.00 N ATOM 20 CA SER A 3 -10.897 -16.138 -3.861 1.00 0.00 C ATOM 21 C SER A 3 -10.654 -16.180 -5.367 1.00 0.00 C ATOM 22 O SER A 3 -10.061 -15.265 -5.937 1.00 0.00 O ATOM 23 CB SER A 3 -10.244 -17.349 -3.193 1.00 0.00 C ATOM 24 OG SER A 3 -9.977 -17.095 -1.825 1.00 0.00 O ATOM 0 H SER A 3 -12.597 -16.640 -2.742 1.00 0.00 H new ATOM 0 HA SER A 3 -10.448 -15.228 -3.463 1.00 0.00 H new ATOM 0 HB2 SER A 3 -10.899 -18.215 -3.284 1.00 0.00 H new ATOM 0 HB3 SER A 3 -9.316 -17.596 -3.708 1.00 0.00 H new ATOM 0 HG SER A 3 -9.561 -17.885 -1.421 1.00 0.00 H new ATOM 30 N GLY A 4 -11.117 -17.250 -6.005 1.00 0.00 N ATOM 31 CA GLY A 4 -10.940 -17.393 -7.438 1.00 0.00 C ATOM 32 C GLY A 4 -10.142 -18.629 -7.804 1.00 0.00 C ATOM 33 O GLY A 4 -10.683 -19.733 -7.857 1.00 0.00 O ATOM 0 H GLY A 4 -11.612 -18.020 -5.555 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -11.917 -17.440 -7.919 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -10.435 -16.510 -7.828 1.00 0.00 H new ATOM 37 N SER A 5 -8.850 -18.443 -8.058 1.00 0.00 N ATOM 38 CA SER A 5 -7.977 -19.551 -8.426 1.00 0.00 C ATOM 39 C SER A 5 -6.510 -19.159 -8.278 1.00 0.00 C ATOM 40 O SER A 5 -6.187 -17.991 -8.064 1.00 0.00 O ATOM 41 CB SER A 5 -8.256 -19.993 -9.864 1.00 0.00 C ATOM 42 OG SER A 5 -7.849 -21.334 -10.074 1.00 0.00 O ATOM 0 H SER A 5 -8.386 -17.536 -8.016 1.00 0.00 H new ATOM 0 HA SER A 5 -8.183 -20.382 -7.752 1.00 0.00 H new ATOM 0 HB2 SER A 5 -9.320 -19.895 -10.078 1.00 0.00 H new ATOM 0 HB3 SER A 5 -7.730 -19.337 -10.558 1.00 0.00 H new ATOM 0 HG SER A 5 -8.040 -21.593 -11.000 1.00 0.00 H new ATOM 48 N SER A 6 -5.626 -20.145 -8.394 1.00 0.00 N ATOM 49 CA SER A 6 -4.193 -19.905 -8.269 1.00 0.00 C ATOM 50 C SER A 6 -3.586 -19.528 -9.617 1.00 0.00 C ATOM 51 O SER A 6 -4.158 -19.812 -10.669 1.00 0.00 O ATOM 52 CB SER A 6 -3.493 -21.146 -7.711 1.00 0.00 C ATOM 53 OG SER A 6 -2.303 -20.795 -7.026 1.00 0.00 O ATOM 0 H SER A 6 -5.877 -21.117 -8.574 1.00 0.00 H new ATOM 0 HA SER A 6 -4.048 -19.074 -7.579 1.00 0.00 H new ATOM 0 HB2 SER A 6 -4.165 -21.673 -7.033 1.00 0.00 H new ATOM 0 HB3 SER A 6 -3.259 -21.832 -8.525 1.00 0.00 H new ATOM 0 HG SER A 6 -1.875 -21.605 -6.677 1.00 0.00 H new ATOM 59 N GLY A 7 -2.422 -18.887 -9.577 1.00 0.00 N ATOM 60 CA GLY A 7 -1.755 -18.482 -10.800 1.00 0.00 C ATOM 61 C GLY A 7 -0.779 -17.343 -10.579 1.00 0.00 C ATOM 62 O GLY A 7 -1.173 -16.179 -10.537 1.00 0.00 O ATOM 0 H GLY A 7 -1.929 -18.641 -8.719 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -1.223 -19.336 -11.220 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -2.502 -18.179 -11.534 1.00 0.00 H new ATOM 66 N ASN A 8 0.498 -17.680 -10.436 1.00 0.00 N ATOM 67 CA ASN A 8 1.534 -16.677 -10.216 1.00 0.00 C ATOM 68 C ASN A 8 1.631 -15.725 -11.404 1.00 0.00 C ATOM 69 O ASN A 8 1.407 -14.523 -11.270 1.00 0.00 O ATOM 70 CB ASN A 8 2.885 -17.353 -9.977 1.00 0.00 C ATOM 71 CG ASN A 8 3.068 -18.597 -10.825 1.00 0.00 C ATOM 72 OD1 ASN A 8 3.447 -18.515 -11.993 1.00 0.00 O ATOM 73 ND2 ASN A 8 2.797 -19.757 -10.238 1.00 0.00 N ATOM 0 H ASN A 8 0.841 -18.640 -10.468 1.00 0.00 H new ATOM 0 HA ASN A 8 1.264 -16.099 -9.332 1.00 0.00 H new ATOM 0 HB2 ASN A 8 3.685 -16.646 -10.196 1.00 0.00 H new ATOM 0 HB3 ASN A 8 2.974 -17.619 -8.924 1.00 0.00 H new ATOM 0 HD21 ASN A 8 2.900 -20.628 -10.758 1.00 0.00 H new ATOM 0 HD22 ASN A 8 2.485 -19.777 -9.267 1.00 0.00 H new ATOM 80 N ALA A 9 1.967 -16.273 -12.568 1.00 0.00 N ATOM 81 CA ALA A 9 2.091 -15.474 -13.780 1.00 0.00 C ATOM 82 C ALA A 9 1.079 -14.334 -13.793 1.00 0.00 C ATOM 83 O ALA A 9 1.452 -13.162 -13.826 1.00 0.00 O ATOM 84 CB ALA A 9 1.915 -16.352 -15.011 1.00 0.00 C ATOM 0 H ALA A 9 2.158 -17.267 -12.696 1.00 0.00 H new ATOM 0 HA ALA A 9 3.090 -15.038 -13.797 1.00 0.00 H new ATOM 0 HB1 ALA A 9 2.010 -15.742 -15.909 1.00 0.00 H new ATOM 0 HB2 ALA A 9 2.680 -17.128 -15.017 1.00 0.00 H new ATOM 0 HB3 ALA A 9 0.929 -16.815 -14.990 1.00 0.00 H new ATOM 90 N GLN A 10 -0.202 -14.686 -13.767 1.00 0.00 N ATOM 91 CA GLN A 10 -1.268 -13.690 -13.777 1.00 0.00 C ATOM 92 C GLN A 10 -1.221 -12.830 -12.518 1.00 0.00 C ATOM 93 O GLN A 10 -1.228 -13.348 -11.401 1.00 0.00 O ATOM 94 CB GLN A 10 -2.632 -14.373 -13.892 1.00 0.00 C ATOM 95 CG GLN A 10 -2.918 -14.931 -15.277 1.00 0.00 C ATOM 96 CD GLN A 10 -2.978 -13.851 -16.340 1.00 0.00 C ATOM 97 OE1 GLN A 10 -1.948 -13.335 -16.775 1.00 0.00 O ATOM 98 NE2 GLN A 10 -4.187 -13.504 -16.763 1.00 0.00 N ATOM 0 H GLN A 10 -0.527 -15.652 -13.739 1.00 0.00 H new ATOM 0 HA GLN A 10 -1.119 -13.044 -14.642 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -2.686 -15.183 -13.165 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -3.411 -13.657 -13.630 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -2.145 -15.653 -15.541 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -3.865 -15.471 -15.259 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -5.013 -13.959 -16.374 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -4.290 -12.783 -17.477 1.00 0.00 H new ATOM 107 N ARG A 11 -1.173 -11.516 -12.706 1.00 0.00 N ATOM 108 CA ARG A 11 -1.123 -10.584 -11.586 1.00 0.00 C ATOM 109 C ARG A 11 -2.022 -11.057 -10.446 1.00 0.00 C ATOM 110 O ARG A 11 -2.956 -11.829 -10.659 1.00 0.00 O ATOM 111 CB ARG A 11 -1.547 -9.186 -12.038 1.00 0.00 C ATOM 112 CG ARG A 11 -3.040 -9.055 -12.292 1.00 0.00 C ATOM 113 CD ARG A 11 -3.393 -9.396 -13.731 1.00 0.00 C ATOM 114 NE ARG A 11 -4.818 -9.669 -13.895 1.00 0.00 N ATOM 115 CZ ARG A 11 -5.425 -9.721 -15.076 1.00 0.00 C ATOM 116 NH1 ARG A 11 -4.734 -9.520 -16.189 1.00 0.00 N ATOM 117 NH2 ARG A 11 -6.726 -9.975 -15.144 1.00 0.00 N ATOM 0 H ARG A 11 -1.168 -11.072 -13.624 1.00 0.00 H new ATOM 0 HA ARG A 11 -0.096 -10.544 -11.224 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -1.251 -8.462 -11.278 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -1.008 -8.929 -12.950 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -3.584 -9.715 -11.617 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -3.360 -8.037 -12.069 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -3.105 -8.569 -14.380 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -2.818 -10.266 -14.049 1.00 0.00 H new ATOM 0 HE ARG A 11 -5.378 -9.828 -13.058 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -3.734 -9.325 -16.140 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -5.202 -9.560 -17.094 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -7.261 -10.130 -14.289 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -7.191 -10.015 -16.051 1.00 0.00 H new ATOM 131 N SER A 12 -1.731 -10.587 -9.237 1.00 0.00 N ATOM 132 CA SER A 12 -2.509 -10.965 -8.063 1.00 0.00 C ATOM 133 C SER A 12 -2.346 -9.936 -6.949 1.00 0.00 C ATOM 134 O SER A 12 -1.680 -8.914 -7.123 1.00 0.00 O ATOM 135 CB SER A 12 -2.082 -12.346 -7.564 1.00 0.00 C ATOM 136 OG SER A 12 -3.133 -12.981 -6.856 1.00 0.00 O ATOM 0 H SER A 12 -0.963 -9.944 -9.045 1.00 0.00 H new ATOM 0 HA SER A 12 -3.560 -11.000 -8.350 1.00 0.00 H new ATOM 0 HB2 SER A 12 -1.783 -12.965 -8.410 1.00 0.00 H new ATOM 0 HB3 SER A 12 -1.210 -12.249 -6.917 1.00 0.00 H new ATOM 0 HG SER A 12 -2.835 -13.863 -6.549 1.00 0.00 H new ATOM 142 N THR A 13 -2.958 -10.213 -5.801 1.00 0.00 N ATOM 143 CA THR A 13 -2.882 -9.312 -4.658 1.00 0.00 C ATOM 144 C THR A 13 -1.822 -9.774 -3.664 1.00 0.00 C ATOM 145 O THR A 13 -2.136 -10.411 -2.657 1.00 0.00 O ATOM 146 CB THR A 13 -4.237 -9.208 -3.934 1.00 0.00 C ATOM 147 OG1 THR A 13 -4.623 -10.490 -3.428 1.00 0.00 O ATOM 148 CG2 THR A 13 -5.313 -8.684 -4.874 1.00 0.00 C ATOM 0 H THR A 13 -3.512 -11.054 -5.639 1.00 0.00 H new ATOM 0 HA THR A 13 -2.610 -8.331 -5.046 1.00 0.00 H new ATOM 0 HB THR A 13 -4.128 -8.509 -3.105 1.00 0.00 H new ATOM 0 HG1 THR A 13 -3.880 -10.879 -2.921 1.00 0.00 H new ATOM 0 HG21 THR A 13 -6.262 -8.619 -4.341 1.00 0.00 H new ATOM 0 HG22 THR A 13 -5.031 -7.695 -5.235 1.00 0.00 H new ATOM 0 HG23 THR A 13 -5.418 -9.362 -5.721 1.00 0.00 H new ATOM 156 N LEU A 14 -0.567 -9.449 -3.951 1.00 0.00 N ATOM 157 CA LEU A 14 0.540 -9.830 -3.081 1.00 0.00 C ATOM 158 C LEU A 14 1.216 -8.598 -2.488 1.00 0.00 C ATOM 159 O LEU A 14 1.365 -8.482 -1.272 1.00 0.00 O ATOM 160 CB LEU A 14 1.562 -10.662 -3.858 1.00 0.00 C ATOM 161 CG LEU A 14 0.988 -11.716 -4.806 1.00 0.00 C ATOM 162 CD1 LEU A 14 0.769 -11.125 -6.190 1.00 0.00 C ATOM 163 CD2 LEU A 14 1.909 -12.925 -4.880 1.00 0.00 C ATOM 0 H LEU A 14 -0.290 -8.922 -4.780 1.00 0.00 H new ATOM 0 HA LEU A 14 0.138 -10.429 -2.264 1.00 0.00 H new ATOM 0 HB2 LEU A 14 2.188 -9.983 -4.437 1.00 0.00 H new ATOM 0 HB3 LEU A 14 2.213 -11.163 -3.142 1.00 0.00 H new ATOM 0 HG LEU A 14 0.024 -12.042 -4.416 1.00 0.00 H new ATOM 0 HD11 LEU A 14 0.360 -11.889 -6.851 1.00 0.00 H new ATOM 0 HD12 LEU A 14 0.070 -10.291 -6.123 1.00 0.00 H new ATOM 0 HD13 LEU A 14 1.719 -10.771 -6.589 1.00 0.00 H new ATOM 0 HD21 LEU A 14 1.485 -13.665 -5.559 1.00 0.00 H new ATOM 0 HD22 LEU A 14 2.888 -12.615 -5.247 1.00 0.00 H new ATOM 0 HD23 LEU A 14 2.015 -13.363 -3.887 1.00 0.00 H new ATOM 175 N LYS A 15 1.622 -7.677 -3.356 1.00 0.00 N ATOM 176 CA LYS A 15 2.279 -6.450 -2.920 1.00 0.00 C ATOM 177 C LYS A 15 1.520 -5.808 -1.764 1.00 0.00 C ATOM 178 O LYS A 15 2.124 -5.283 -0.828 1.00 0.00 O ATOM 179 CB LYS A 15 2.387 -5.463 -4.085 1.00 0.00 C ATOM 180 CG LYS A 15 3.640 -5.646 -4.923 1.00 0.00 C ATOM 181 CD LYS A 15 4.794 -4.814 -4.388 1.00 0.00 C ATOM 182 CE LYS A 15 4.620 -3.340 -4.720 1.00 0.00 C ATOM 183 NZ LYS A 15 4.783 -3.076 -6.176 1.00 0.00 N ATOM 0 H LYS A 15 1.507 -7.757 -4.366 1.00 0.00 H new ATOM 0 HA LYS A 15 3.281 -6.706 -2.575 1.00 0.00 H new ATOM 0 HB2 LYS A 15 1.512 -5.573 -4.726 1.00 0.00 H new ATOM 0 HB3 LYS A 15 2.368 -4.447 -3.692 1.00 0.00 H new ATOM 0 HG2 LYS A 15 3.922 -6.699 -4.932 1.00 0.00 H new ATOM 0 HG3 LYS A 15 3.433 -5.363 -5.955 1.00 0.00 H new ATOM 0 HD2 LYS A 15 4.863 -4.939 -3.307 1.00 0.00 H new ATOM 0 HD3 LYS A 15 5.731 -5.175 -4.811 1.00 0.00 H new ATOM 0 HE2 LYS A 15 3.632 -3.010 -4.400 1.00 0.00 H new ATOM 0 HE3 LYS A 15 5.349 -2.753 -4.161 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 4.928 -2.058 -6.330 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 5.606 -3.601 -6.534 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 3.929 -3.384 -6.683 1.00 0.00 H new ATOM 197 N TRP A 16 0.195 -5.854 -1.835 1.00 0.00 N ATOM 198 CA TRP A 16 -0.647 -5.277 -0.792 1.00 0.00 C ATOM 199 C TRP A 16 -0.367 -5.930 0.557 1.00 0.00 C ATOM 200 O TRP A 16 0.034 -5.261 1.508 1.00 0.00 O ATOM 201 CB TRP A 16 -2.124 -5.438 -1.153 1.00 0.00 C ATOM 202 CG TRP A 16 -2.539 -4.619 -2.338 1.00 0.00 C ATOM 203 CD1 TRP A 16 -1.744 -4.210 -3.370 1.00 0.00 C ATOM 204 CD2 TRP A 16 -3.848 -4.107 -2.609 1.00 0.00 C ATOM 205 NE1 TRP A 16 -2.481 -3.475 -4.268 1.00 0.00 N ATOM 206 CE2 TRP A 16 -3.775 -3.398 -3.824 1.00 0.00 C ATOM 207 CE3 TRP A 16 -5.076 -4.180 -1.946 1.00 0.00 C ATOM 208 CZ2 TRP A 16 -4.881 -2.767 -4.386 1.00 0.00 C ATOM 209 CZ3 TRP A 16 -6.173 -3.553 -2.505 1.00 0.00 C ATOM 210 CH2 TRP A 16 -6.071 -2.855 -3.715 1.00 0.00 C ATOM 0 H TRP A 16 -0.320 -6.284 -2.603 1.00 0.00 H new ATOM 0 HA TRP A 16 -0.412 -4.215 -0.717 1.00 0.00 H new ATOM 0 HB2 TRP A 16 -2.328 -6.489 -1.357 1.00 0.00 H new ATOM 0 HB3 TRP A 16 -2.733 -5.156 -0.294 1.00 0.00 H new ATOM 0 HD1 TRP A 16 -0.691 -4.431 -3.467 1.00 0.00 H new ATOM 0 HE1 TRP A 16 -2.123 -3.055 -5.126 1.00 0.00 H new ATOM 0 HE3 TRP A 16 -5.166 -4.717 -1.013 1.00 0.00 H new ATOM 0 HZ2 TRP A 16 -4.803 -2.227 -5.318 1.00 0.00 H new ATOM 0 HZ3 TRP A 16 -7.126 -3.602 -2.000 1.00 0.00 H new ATOM 0 HH2 TRP A 16 -6.948 -2.377 -4.126 1.00 0.00 H new ATOM 221 N GLU A 17 -0.579 -7.240 0.631 1.00 0.00 N ATOM 222 CA GLU A 17 -0.349 -7.982 1.866 1.00 0.00 C ATOM 223 C GLU A 17 0.912 -7.490 2.569 1.00 0.00 C ATOM 224 O GLU A 17 0.974 -7.441 3.798 1.00 0.00 O ATOM 225 CB GLU A 17 -0.232 -9.479 1.573 1.00 0.00 C ATOM 226 CG GLU A 17 -0.619 -10.361 2.748 1.00 0.00 C ATOM 227 CD GLU A 17 -0.870 -11.800 2.340 1.00 0.00 C ATOM 228 OE1 GLU A 17 -1.670 -12.020 1.406 1.00 0.00 O ATOM 229 OE2 GLU A 17 -0.268 -12.705 2.954 1.00 0.00 O ATOM 0 H GLU A 17 -0.909 -7.809 -0.148 1.00 0.00 H new ATOM 0 HA GLU A 17 -1.201 -7.814 2.525 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -0.866 -9.725 0.721 1.00 0.00 H new ATOM 0 HB3 GLU A 17 0.794 -9.705 1.282 1.00 0.00 H new ATOM 0 HG2 GLU A 17 0.174 -10.332 3.496 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -1.516 -9.959 3.219 1.00 0.00 H new ATOM 236 N LYS A 18 1.918 -7.127 1.781 1.00 0.00 N ATOM 237 CA LYS A 18 3.180 -6.638 2.325 1.00 0.00 C ATOM 238 C LYS A 18 3.048 -5.189 2.785 1.00 0.00 C ATOM 239 O LYS A 18 3.293 -4.874 3.949 1.00 0.00 O ATOM 240 CB LYS A 18 4.290 -6.752 1.278 1.00 0.00 C ATOM 241 CG LYS A 18 4.295 -8.080 0.540 1.00 0.00 C ATOM 242 CD LYS A 18 5.161 -9.108 1.249 1.00 0.00 C ATOM 243 CE LYS A 18 4.358 -9.908 2.264 1.00 0.00 C ATOM 244 NZ LYS A 18 5.182 -10.965 2.914 1.00 0.00 N ATOM 0 H LYS A 18 1.884 -7.162 0.762 1.00 0.00 H new ATOM 0 HA LYS A 18 3.438 -7.254 3.187 1.00 0.00 H new ATOM 0 HB2 LYS A 18 4.180 -5.944 0.555 1.00 0.00 H new ATOM 0 HB3 LYS A 18 5.255 -6.614 1.766 1.00 0.00 H new ATOM 0 HG2 LYS A 18 3.275 -8.456 0.459 1.00 0.00 H new ATOM 0 HG3 LYS A 18 4.662 -7.932 -0.476 1.00 0.00 H new ATOM 0 HD2 LYS A 18 5.599 -9.785 0.515 1.00 0.00 H new ATOM 0 HD3 LYS A 18 5.987 -8.605 1.752 1.00 0.00 H new ATOM 0 HE2 LYS A 18 3.963 -9.236 3.026 1.00 0.00 H new ATOM 0 HE3 LYS A 18 3.502 -10.367 1.769 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 4.599 -11.488 3.599 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 5.538 -11.621 2.190 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 5.985 -10.525 3.408 1.00 0.00 H new ATOM 258 N GLU A 19 2.659 -4.313 1.864 1.00 0.00 N ATOM 259 CA GLU A 19 2.495 -2.899 2.177 1.00 0.00 C ATOM 260 C GLU A 19 1.506 -2.706 3.323 1.00 0.00 C ATOM 261 O GLU A 19 1.499 -1.668 3.983 1.00 0.00 O ATOM 262 CB GLU A 19 2.018 -2.132 0.942 1.00 0.00 C ATOM 263 CG GLU A 19 2.961 -2.240 -0.244 1.00 0.00 C ATOM 264 CD GLU A 19 4.408 -2.414 0.175 1.00 0.00 C ATOM 265 OE1 GLU A 19 4.825 -3.570 0.400 1.00 0.00 O ATOM 266 OE2 GLU A 19 5.122 -1.395 0.279 1.00 0.00 O ATOM 0 H GLU A 19 2.452 -4.558 0.896 1.00 0.00 H new ATOM 0 HA GLU A 19 3.464 -2.507 2.487 1.00 0.00 H new ATOM 0 HB2 GLU A 19 1.036 -2.505 0.650 1.00 0.00 H new ATOM 0 HB3 GLU A 19 1.895 -1.081 1.203 1.00 0.00 H new ATOM 0 HG2 GLU A 19 2.662 -3.085 -0.865 1.00 0.00 H new ATOM 0 HG3 GLU A 19 2.870 -1.344 -0.859 1.00 0.00 H new ATOM 273 N GLU A 20 0.671 -3.715 3.552 1.00 0.00 N ATOM 274 CA GLU A 20 -0.324 -3.656 4.616 1.00 0.00 C ATOM 275 C GLU A 20 0.347 -3.627 5.987 1.00 0.00 C ATOM 276 O GLU A 20 -0.252 -3.200 6.973 1.00 0.00 O ATOM 277 CB GLU A 20 -1.272 -4.854 4.525 1.00 0.00 C ATOM 278 CG GLU A 20 -2.498 -4.595 3.665 1.00 0.00 C ATOM 279 CD GLU A 20 -3.582 -3.839 4.407 1.00 0.00 C ATOM 280 OE1 GLU A 20 -4.432 -4.495 5.046 1.00 0.00 O ATOM 281 OE2 GLU A 20 -3.582 -2.592 4.349 1.00 0.00 O ATOM 0 H GLU A 20 0.664 -4.582 3.015 1.00 0.00 H new ATOM 0 HA GLU A 20 -0.898 -2.738 4.492 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -0.728 -5.707 4.120 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -1.594 -5.129 5.529 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -2.204 -4.028 2.782 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -2.899 -5.546 3.314 1.00 0.00 H new ATOM 288 N ALA A 21 1.593 -4.086 6.039 1.00 0.00 N ATOM 289 CA ALA A 21 2.346 -4.112 7.286 1.00 0.00 C ATOM 290 C ALA A 21 3.171 -2.841 7.456 1.00 0.00 C ATOM 291 O ALA A 21 3.503 -2.449 8.576 1.00 0.00 O ATOM 292 CB ALA A 21 3.246 -5.338 7.334 1.00 0.00 C ATOM 0 H ALA A 21 2.102 -4.445 5.231 1.00 0.00 H new ATOM 0 HA ALA A 21 1.634 -4.165 8.110 1.00 0.00 H new ATOM 0 HB1 ALA A 21 3.803 -5.344 8.271 1.00 0.00 H new ATOM 0 HB2 ALA A 21 2.637 -6.239 7.268 1.00 0.00 H new ATOM 0 HB3 ALA A 21 3.944 -5.310 6.498 1.00 0.00 H new ATOM 298 N LEU A 22 3.499 -2.200 6.340 1.00 0.00 N ATOM 299 CA LEU A 22 4.286 -0.972 6.365 1.00 0.00 C ATOM 300 C LEU A 22 3.420 0.222 6.754 1.00 0.00 C ATOM 301 O LEU A 22 3.930 1.303 7.043 1.00 0.00 O ATOM 302 CB LEU A 22 4.928 -0.727 4.998 1.00 0.00 C ATOM 303 CG LEU A 22 5.721 -1.894 4.410 1.00 0.00 C ATOM 304 CD1 LEU A 22 5.787 -1.785 2.895 1.00 0.00 C ATOM 305 CD2 LEU A 22 7.121 -1.943 5.005 1.00 0.00 C ATOM 0 H LEU A 22 3.232 -2.510 5.406 1.00 0.00 H new ATOM 0 HA LEU A 22 5.070 -1.087 7.113 1.00 0.00 H new ATOM 0 HB2 LEU A 22 4.142 -0.456 4.293 1.00 0.00 H new ATOM 0 HB3 LEU A 22 5.593 0.133 5.080 1.00 0.00 H new ATOM 0 HG LEU A 22 5.208 -2.821 4.665 1.00 0.00 H new ATOM 0 HD11 LEU A 22 6.355 -2.624 2.494 1.00 0.00 H new ATOM 0 HD12 LEU A 22 4.777 -1.802 2.485 1.00 0.00 H new ATOM 0 HD13 LEU A 22 6.276 -0.851 2.618 1.00 0.00 H new ATOM 0 HD21 LEU A 22 7.670 -2.780 4.574 1.00 0.00 H new ATOM 0 HD22 LEU A 22 7.644 -1.013 4.782 1.00 0.00 H new ATOM 0 HD23 LEU A 22 7.053 -2.071 6.085 1.00 0.00 H new ATOM 317 N GLY A 23 2.106 0.017 6.761 1.00 0.00 N ATOM 318 CA GLY A 23 1.191 1.084 7.119 1.00 0.00 C ATOM 319 C GLY A 23 1.412 2.338 6.296 1.00 0.00 C ATOM 320 O GLY A 23 1.226 2.329 5.079 1.00 0.00 O ATOM 0 H GLY A 23 1.660 -0.869 6.525 1.00 0.00 H new ATOM 0 HA2 GLY A 23 0.166 0.740 6.983 1.00 0.00 H new ATOM 0 HA3 GLY A 23 1.310 1.321 8.176 1.00 0.00 H new ATOM 324 N GLU A 24 1.809 3.418 6.961 1.00 0.00 N ATOM 325 CA GLU A 24 2.052 4.685 6.282 1.00 0.00 C ATOM 326 C GLU A 24 3.188 4.552 5.271 1.00 0.00 C ATOM 327 O GLU A 24 3.386 5.423 4.425 1.00 0.00 O ATOM 328 CB GLU A 24 2.386 5.779 7.299 1.00 0.00 C ATOM 329 CG GLU A 24 1.276 6.034 8.304 1.00 0.00 C ATOM 330 CD GLU A 24 1.759 6.791 9.527 1.00 0.00 C ATOM 331 OE1 GLU A 24 2.509 7.774 9.357 1.00 0.00 O ATOM 332 OE2 GLU A 24 1.387 6.399 10.652 1.00 0.00 O ATOM 0 H GLU A 24 1.969 3.441 7.968 1.00 0.00 H new ATOM 0 HA GLU A 24 1.143 4.961 5.747 1.00 0.00 H new ATOM 0 HB2 GLU A 24 3.293 5.500 7.835 1.00 0.00 H new ATOM 0 HB3 GLU A 24 2.602 6.705 6.766 1.00 0.00 H new ATOM 0 HG2 GLU A 24 0.478 6.600 7.823 1.00 0.00 H new ATOM 0 HG3 GLU A 24 0.848 5.082 8.616 1.00 0.00 H new ATOM 339 N MET A 25 3.931 3.454 5.367 1.00 0.00 N ATOM 340 CA MET A 25 5.046 3.205 4.461 1.00 0.00 C ATOM 341 C MET A 25 4.611 2.331 3.289 1.00 0.00 C ATOM 342 O MET A 25 5.443 1.829 2.534 1.00 0.00 O ATOM 343 CB MET A 25 6.200 2.536 5.210 1.00 0.00 C ATOM 344 CG MET A 25 7.202 3.521 5.790 1.00 0.00 C ATOM 345 SD MET A 25 8.085 4.443 4.516 1.00 0.00 S ATOM 346 CE MET A 25 8.753 3.105 3.531 1.00 0.00 C ATOM 0 H MET A 25 3.781 2.723 6.063 1.00 0.00 H new ATOM 0 HA MET A 25 5.384 4.165 4.069 1.00 0.00 H new ATOM 0 HB2 MET A 25 5.793 1.927 6.017 1.00 0.00 H new ATOM 0 HB3 MET A 25 6.719 1.860 4.531 1.00 0.00 H new ATOM 0 HG2 MET A 25 6.681 4.220 6.444 1.00 0.00 H new ATOM 0 HG3 MET A 25 7.921 2.982 6.407 1.00 0.00 H new ATOM 0 HE1 MET A 25 9.701 3.415 3.091 1.00 0.00 H new ATOM 0 HE2 MET A 25 8.915 2.233 4.164 1.00 0.00 H new ATOM 0 HE3 MET A 25 8.050 2.851 2.738 1.00 0.00 H new ATOM 356 N ALA A 26 3.302 2.154 3.143 1.00 0.00 N ATOM 357 CA ALA A 26 2.756 1.343 2.062 1.00 0.00 C ATOM 358 C ALA A 26 3.194 1.875 0.702 1.00 0.00 C ATOM 359 O ALA A 26 3.018 3.055 0.399 1.00 0.00 O ATOM 360 CB ALA A 26 1.238 1.298 2.150 1.00 0.00 C ATOM 0 H ALA A 26 2.600 2.562 3.760 1.00 0.00 H new ATOM 0 HA ALA A 26 3.145 0.330 2.169 1.00 0.00 H new ATOM 0 HB1 ALA A 26 0.844 0.689 1.336 1.00 0.00 H new ATOM 0 HB2 ALA A 26 0.942 0.864 3.105 1.00 0.00 H new ATOM 0 HB3 ALA A 26 0.839 2.309 2.072 1.00 0.00 H new ATOM 366 N THR A 27 3.766 0.996 -0.116 1.00 0.00 N ATOM 367 CA THR A 27 4.231 1.378 -1.443 1.00 0.00 C ATOM 368 C THR A 27 3.093 1.340 -2.456 1.00 0.00 C ATOM 369 O THR A 27 3.324 1.243 -3.662 1.00 0.00 O ATOM 370 CB THR A 27 5.365 0.455 -1.928 1.00 0.00 C ATOM 371 OG1 THR A 27 4.871 -0.877 -2.105 1.00 0.00 O ATOM 372 CG2 THR A 27 6.517 0.446 -0.935 1.00 0.00 C ATOM 0 H THR A 27 3.918 0.015 0.118 1.00 0.00 H new ATOM 0 HA THR A 27 4.610 2.397 -1.364 1.00 0.00 H new ATOM 0 HB THR A 27 5.731 0.836 -2.882 1.00 0.00 H new ATOM 0 HG1 THR A 27 5.598 -1.457 -2.414 1.00 0.00 H new ATOM 0 HG21 THR A 27 7.306 -0.213 -1.299 1.00 0.00 H new ATOM 0 HG22 THR A 27 6.910 1.457 -0.825 1.00 0.00 H new ATOM 0 HG23 THR A 27 6.162 0.087 0.031 1.00 0.00 H new ATOM 380 N VAL A 28 1.862 1.417 -1.960 1.00 0.00 N ATOM 381 CA VAL A 28 0.687 1.394 -2.823 1.00 0.00 C ATOM 382 C VAL A 28 -0.244 2.562 -2.515 1.00 0.00 C ATOM 383 O VAL A 28 -0.229 3.107 -1.412 1.00 0.00 O ATOM 384 CB VAL A 28 -0.094 0.075 -2.671 1.00 0.00 C ATOM 385 CG1 VAL A 28 -0.758 -0.307 -3.986 1.00 0.00 C ATOM 386 CG2 VAL A 28 0.825 -1.035 -2.186 1.00 0.00 C ATOM 0 H VAL A 28 1.653 1.496 -0.965 1.00 0.00 H new ATOM 0 HA VAL A 28 1.045 1.480 -3.849 1.00 0.00 H new ATOM 0 HB VAL A 28 -0.876 0.219 -1.925 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -1.305 -1.241 -3.859 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -1.449 0.480 -4.287 1.00 0.00 H new ATOM 0 HG13 VAL A 28 0.004 -0.434 -4.755 1.00 0.00 H new ATOM 0 HG21 VAL A 28 0.257 -1.959 -2.084 1.00 0.00 H new ATOM 0 HG22 VAL A 28 1.630 -1.181 -2.906 1.00 0.00 H new ATOM 0 HG23 VAL A 28 1.248 -0.761 -1.220 1.00 0.00 H new ATOM 396 N ALA A 29 -1.054 2.941 -3.498 1.00 0.00 N ATOM 397 CA ALA A 29 -1.994 4.042 -3.332 1.00 0.00 C ATOM 398 C ALA A 29 -3.129 3.657 -2.390 1.00 0.00 C ATOM 399 O ALA A 29 -3.366 4.302 -1.368 1.00 0.00 O ATOM 400 CB ALA A 29 -2.548 4.471 -4.683 1.00 0.00 C ATOM 0 H ALA A 29 -1.078 2.501 -4.418 1.00 0.00 H new ATOM 0 HA ALA A 29 -1.458 4.881 -2.889 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -3.249 5.294 -4.544 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -1.729 4.796 -5.325 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -3.063 3.631 -5.149 1.00 0.00 H new ATOM 406 N PRO A 30 -3.851 2.582 -2.740 1.00 0.00 N ATOM 407 CA PRO A 30 -4.974 2.087 -1.938 1.00 0.00 C ATOM 408 C PRO A 30 -4.519 1.474 -0.618 1.00 0.00 C ATOM 409 O PRO A 30 -5.070 1.776 0.440 1.00 0.00 O ATOM 410 CB PRO A 30 -5.606 1.019 -2.834 1.00 0.00 C ATOM 411 CG PRO A 30 -4.497 0.562 -3.718 1.00 0.00 C ATOM 412 CD PRO A 30 -3.625 1.766 -3.944 1.00 0.00 C ATOM 0 HA PRO A 30 -5.658 2.888 -1.658 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -6.008 0.195 -2.245 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -6.433 1.428 -3.415 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -3.934 -0.246 -3.251 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -4.883 0.177 -4.662 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -2.576 1.488 -4.050 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -3.906 2.301 -4.851 1.00 0.00 H new ATOM 420 N VAL A 31 -3.510 0.612 -0.688 1.00 0.00 N ATOM 421 CA VAL A 31 -2.979 -0.042 0.502 1.00 0.00 C ATOM 422 C VAL A 31 -2.417 0.978 1.485 1.00 0.00 C ATOM 423 O VAL A 31 -2.209 0.674 2.661 1.00 0.00 O ATOM 424 CB VAL A 31 -1.876 -1.054 0.141 1.00 0.00 C ATOM 425 CG1 VAL A 31 -1.585 -1.971 1.320 1.00 0.00 C ATOM 426 CG2 VAL A 31 -2.273 -1.860 -1.086 1.00 0.00 C ATOM 0 H VAL A 31 -3.044 0.350 -1.557 1.00 0.00 H new ATOM 0 HA VAL A 31 -3.809 -0.572 0.969 1.00 0.00 H new ATOM 0 HB VAL A 31 -0.965 -0.503 -0.094 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -0.803 -2.679 1.046 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -1.253 -1.376 2.171 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -2.490 -2.516 1.589 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -1.482 -2.570 -1.327 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -3.197 -2.401 -0.882 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -2.425 -1.187 -1.930 1.00 0.00 H new ATOM 436 N LEU A 32 -2.172 2.189 0.997 1.00 0.00 N ATOM 437 CA LEU A 32 -1.633 3.256 1.833 1.00 0.00 C ATOM 438 C LEU A 32 -2.755 4.095 2.435 1.00 0.00 C ATOM 439 O LEU A 32 -2.756 4.382 3.633 1.00 0.00 O ATOM 440 CB LEU A 32 -0.696 4.148 1.016 1.00 0.00 C ATOM 441 CG LEU A 32 -0.270 5.459 1.677 1.00 0.00 C ATOM 442 CD1 LEU A 32 0.449 5.185 2.989 1.00 0.00 C ATOM 443 CD2 LEU A 32 0.615 6.266 0.740 1.00 0.00 C ATOM 0 H LEU A 32 -2.338 2.457 0.027 1.00 0.00 H new ATOM 0 HA LEU A 32 -1.070 2.797 2.646 1.00 0.00 H new ATOM 0 HB2 LEU A 32 0.201 3.576 0.778 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -1.184 4.383 0.070 1.00 0.00 H new ATOM 0 HG LEU A 32 -1.165 6.044 1.891 1.00 0.00 H new ATOM 0 HD11 LEU A 32 0.745 6.129 3.446 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -0.218 4.649 3.664 1.00 0.00 H new ATOM 0 HD13 LEU A 32 1.336 4.580 2.799 1.00 0.00 H new ATOM 0 HD21 LEU A 32 0.908 7.196 1.227 1.00 0.00 H new ATOM 0 HD22 LEU A 32 1.506 5.688 0.494 1.00 0.00 H new ATOM 0 HD23 LEU A 32 0.066 6.493 -0.174 1.00 0.00 H new ATOM 455 N TYR A 33 -3.710 4.484 1.598 1.00 0.00 N ATOM 456 CA TYR A 33 -4.839 5.291 2.048 1.00 0.00 C ATOM 457 C TYR A 33 -5.485 4.681 3.288 1.00 0.00 C ATOM 458 O TYR A 33 -5.598 5.331 4.328 1.00 0.00 O ATOM 459 CB TYR A 33 -5.876 5.422 0.931 1.00 0.00 C ATOM 460 CG TYR A 33 -7.210 5.955 1.403 1.00 0.00 C ATOM 461 CD1 TYR A 33 -8.166 5.107 1.949 1.00 0.00 C ATOM 462 CD2 TYR A 33 -7.514 7.307 1.304 1.00 0.00 C ATOM 463 CE1 TYR A 33 -9.386 5.590 2.381 1.00 0.00 C ATOM 464 CE2 TYR A 33 -8.731 7.799 1.735 1.00 0.00 C ATOM 465 CZ TYR A 33 -9.664 6.937 2.272 1.00 0.00 C ATOM 466 OH TYR A 33 -10.877 7.422 2.702 1.00 0.00 O ATOM 0 H TYR A 33 -3.725 4.254 0.604 1.00 0.00 H new ATOM 0 HA TYR A 33 -4.465 6.282 2.306 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -5.483 6.082 0.158 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -6.027 4.446 0.470 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -7.951 4.052 2.037 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -6.786 7.985 0.883 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -10.118 4.917 2.802 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -8.951 8.853 1.652 1.00 0.00 H new ATOM 0 HH TYR A 33 -10.913 8.390 2.556 1.00 0.00 H new ATOM 476 N THR A 34 -5.907 3.426 3.171 1.00 0.00 N ATOM 477 CA THR A 34 -6.542 2.726 4.281 1.00 0.00 C ATOM 478 C THR A 34 -5.633 2.696 5.504 1.00 0.00 C ATOM 479 O THR A 34 -6.044 3.064 6.604 1.00 0.00 O ATOM 480 CB THR A 34 -6.913 1.282 3.896 1.00 0.00 C ATOM 481 OG1 THR A 34 -5.881 0.710 3.085 1.00 0.00 O ATOM 482 CG2 THR A 34 -8.235 1.246 3.143 1.00 0.00 C ATOM 0 H THR A 34 -5.820 2.873 2.318 1.00 0.00 H new ATOM 0 HA THR A 34 -7.452 3.275 4.521 1.00 0.00 H new ATOM 0 HB THR A 34 -7.018 0.701 4.812 1.00 0.00 H new ATOM 0 HG1 THR A 34 -5.739 -0.224 3.347 1.00 0.00 H new ATOM 0 HG21 THR A 34 -8.477 0.216 2.881 1.00 0.00 H new ATOM 0 HG22 THR A 34 -9.024 1.655 3.774 1.00 0.00 H new ATOM 0 HG23 THR A 34 -8.152 1.841 2.234 1.00 0.00 H new ATOM 490 N ASN A 35 -4.394 2.256 5.304 1.00 0.00 N ATOM 491 CA ASN A 35 -3.426 2.179 6.392 1.00 0.00 C ATOM 492 C ASN A 35 -3.489 3.427 7.267 1.00 0.00 C ATOM 493 O ASN A 35 -3.262 3.363 8.475 1.00 0.00 O ATOM 494 CB ASN A 35 -2.013 2.004 5.834 1.00 0.00 C ATOM 495 CG ASN A 35 -1.680 0.553 5.546 1.00 0.00 C ATOM 496 OD1 ASN A 35 -2.419 -0.353 5.932 1.00 0.00 O ATOM 497 ND2 ASN A 35 -0.562 0.326 4.867 1.00 0.00 N ATOM 0 H ASN A 35 -4.038 1.948 4.399 1.00 0.00 H new ATOM 0 HA ASN A 35 -3.676 1.314 7.006 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -1.913 2.586 4.918 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -1.292 2.405 6.546 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -0.285 -0.630 4.645 1.00 0.00 H new ATOM 0 HD22 ASN A 35 0.020 1.108 4.567 1.00 0.00 H new ATOM 504 N ILE A 36 -3.798 4.562 6.647 1.00 0.00 N ATOM 505 CA ILE A 36 -3.892 5.824 7.369 1.00 0.00 C ATOM 506 C ILE A 36 -5.329 6.110 7.793 1.00 0.00 C ATOM 507 O ILE A 36 -5.636 6.164 8.983 1.00 0.00 O ATOM 508 CB ILE A 36 -3.377 7.000 6.517 1.00 0.00 C ATOM 509 CG1 ILE A 36 -1.884 6.831 6.226 1.00 0.00 C ATOM 510 CG2 ILE A 36 -3.638 8.321 7.224 1.00 0.00 C ATOM 511 CD1 ILE A 36 -1.372 7.756 5.144 1.00 0.00 C ATOM 0 H ILE A 36 -3.987 4.632 5.647 1.00 0.00 H new ATOM 0 HA ILE A 36 -3.266 5.727 8.256 1.00 0.00 H new ATOM 0 HB ILE A 36 -3.915 7.006 5.569 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -1.321 7.009 7.142 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -1.694 5.799 5.931 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -3.268 9.142 6.609 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -4.709 8.442 7.385 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -3.124 8.327 8.185 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -0.307 7.582 4.990 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -1.909 7.562 4.216 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -1.530 8.791 5.446 1.00 0.00 H new ATOM 523 N ASN A 37 -6.205 6.290 6.810 1.00 0.00 N ATOM 524 CA ASN A 37 -7.611 6.568 7.081 1.00 0.00 C ATOM 525 C ASN A 37 -8.198 5.527 8.029 1.00 0.00 C ATOM 526 O ASN A 37 -8.802 5.869 9.047 1.00 0.00 O ATOM 527 CB ASN A 37 -8.408 6.593 5.775 1.00 0.00 C ATOM 528 CG ASN A 37 -8.321 7.932 5.070 1.00 0.00 C ATOM 529 OD1 ASN A 37 -7.268 8.118 4.282 1.00 0.00 O flip ATOM 530 ND2 ASN A 37 -9.190 8.789 5.230 1.00 0.00 N flip ATOM 0 H ASN A 37 -5.966 6.248 5.819 1.00 0.00 H new ATOM 0 HA ASN A 37 -7.678 7.546 7.558 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -8.038 5.812 5.112 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -9.453 6.364 5.986 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -9.982 8.603 5.845 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -9.118 9.685 4.748 1.00 0.00 H new ATOM 537 N PHE A 38 -8.017 4.256 7.689 1.00 0.00 N ATOM 538 CA PHE A 38 -8.530 3.164 8.509 1.00 0.00 C ATOM 539 C PHE A 38 -7.396 2.463 9.251 1.00 0.00 C ATOM 540 O PHE A 38 -6.844 1.463 8.791 1.00 0.00 O ATOM 541 CB PHE A 38 -9.286 2.157 7.641 1.00 0.00 C ATOM 542 CG PHE A 38 -10.489 2.740 6.957 1.00 0.00 C ATOM 543 CD1 PHE A 38 -10.342 3.587 5.871 1.00 0.00 C ATOM 544 CD2 PHE A 38 -11.767 2.440 7.400 1.00 0.00 C ATOM 545 CE1 PHE A 38 -11.447 4.125 5.238 1.00 0.00 C ATOM 546 CE2 PHE A 38 -12.876 2.974 6.771 1.00 0.00 C ATOM 547 CZ PHE A 38 -12.716 3.819 5.690 1.00 0.00 C ATOM 0 H PHE A 38 -7.519 3.956 6.851 1.00 0.00 H new ATOM 0 HA PHE A 38 -9.216 3.586 9.244 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -8.607 1.757 6.887 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -9.602 1.319 8.262 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -9.352 3.830 5.514 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -11.898 1.782 8.246 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -11.318 4.783 4.392 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -13.867 2.731 7.125 1.00 0.00 H new ATOM 0 HZ PHE A 38 -13.581 4.240 5.199 1.00 0.00 H new ATOM 557 N PRO A 39 -7.038 2.999 10.428 1.00 0.00 N ATOM 558 CA PRO A 39 -5.967 2.442 11.259 1.00 0.00 C ATOM 559 C PRO A 39 -6.350 1.100 11.875 1.00 0.00 C ATOM 560 O PRO A 39 -5.515 0.206 12.006 1.00 0.00 O ATOM 561 CB PRO A 39 -5.780 3.498 12.351 1.00 0.00 C ATOM 562 CG PRO A 39 -7.094 4.195 12.433 1.00 0.00 C ATOM 563 CD PRO A 39 -7.653 4.190 11.037 1.00 0.00 C ATOM 0 HA PRO A 39 -5.065 2.242 10.681 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -5.515 3.040 13.304 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -4.979 4.192 12.097 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -7.765 3.684 13.124 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -6.973 5.214 12.801 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -8.741 4.123 11.040 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -7.391 5.099 10.496 1.00 0.00 H new ATOM 571 N ASN A 40 -7.618 0.968 12.252 1.00 0.00 N ATOM 572 CA ASN A 40 -8.111 -0.265 12.855 1.00 0.00 C ATOM 573 C ASN A 40 -8.621 -1.227 11.786 1.00 0.00 C ATOM 574 O ASN A 40 -9.293 -2.213 12.092 1.00 0.00 O ATOM 575 CB ASN A 40 -9.227 0.042 13.855 1.00 0.00 C ATOM 576 CG ASN A 40 -8.919 1.257 14.709 1.00 0.00 C ATOM 577 OD1 ASN A 40 -8.167 1.174 15.679 1.00 0.00 O ATOM 578 ND2 ASN A 40 -9.503 2.395 14.350 1.00 0.00 N ATOM 0 H ASN A 40 -8.322 1.699 12.151 1.00 0.00 H new ATOM 0 HA ASN A 40 -7.282 -0.740 13.381 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -10.159 0.207 13.315 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -9.381 -0.823 14.500 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -9.335 3.246 14.887 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -10.120 2.418 13.538 1.00 0.00 H new ATOM 585 N LEU A 41 -8.299 -0.934 10.531 1.00 0.00 N ATOM 586 CA LEU A 41 -8.724 -1.772 9.416 1.00 0.00 C ATOM 587 C LEU A 41 -8.538 -3.250 9.744 1.00 0.00 C ATOM 588 O LEU A 41 -9.493 -4.027 9.720 1.00 0.00 O ATOM 589 CB LEU A 41 -7.935 -1.416 8.155 1.00 0.00 C ATOM 590 CG LEU A 41 -8.510 -1.932 6.835 1.00 0.00 C ATOM 591 CD1 LEU A 41 -9.670 -1.061 6.381 1.00 0.00 C ATOM 592 CD2 LEU A 41 -7.428 -1.983 5.766 1.00 0.00 C ATOM 0 H LEU A 41 -7.745 -0.122 10.260 1.00 0.00 H new ATOM 0 HA LEU A 41 -9.784 -1.588 9.239 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -7.856 -0.331 8.094 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -6.922 -1.803 8.263 1.00 0.00 H new ATOM 0 HG LEU A 41 -8.883 -2.944 6.994 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -10.066 -1.444 5.440 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -10.454 -1.076 7.138 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -9.323 -0.038 6.239 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -7.855 -2.352 4.834 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -7.024 -0.983 5.609 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -6.629 -2.650 6.089 1.00 0.00 H new ATOM 604 N LYS A 42 -7.304 -3.632 10.053 1.00 0.00 N ATOM 605 CA LYS A 42 -6.992 -5.016 10.391 1.00 0.00 C ATOM 606 C LYS A 42 -8.123 -5.648 11.196 1.00 0.00 C ATOM 607 O LYS A 42 -8.693 -6.661 10.792 1.00 0.00 O ATOM 608 CB LYS A 42 -5.686 -5.087 11.184 1.00 0.00 C ATOM 609 CG LYS A 42 -4.636 -4.093 10.719 1.00 0.00 C ATOM 610 CD LYS A 42 -4.749 -2.773 11.464 1.00 0.00 C ATOM 611 CE LYS A 42 -3.894 -2.770 12.723 1.00 0.00 C ATOM 612 NZ LYS A 42 -2.440 -2.807 12.406 1.00 0.00 N ATOM 0 H LYS A 42 -6.502 -3.002 10.076 1.00 0.00 H new ATOM 0 HA LYS A 42 -6.876 -5.573 9.461 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -5.901 -4.909 12.238 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -5.279 -6.095 11.107 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -3.642 -4.514 10.872 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -4.747 -3.919 9.649 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -4.440 -1.957 10.811 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -5.790 -2.591 11.729 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -4.115 -1.879 13.310 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -4.153 -3.630 13.340 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -1.901 -2.406 13.200 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -2.144 -3.791 12.249 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -2.258 -2.249 11.547 1.00 0.00 H new ATOM 626 N GLU A 43 -8.444 -5.041 12.335 1.00 0.00 N ATOM 627 CA GLU A 43 -9.507 -5.545 13.195 1.00 0.00 C ATOM 628 C GLU A 43 -10.829 -5.626 12.436 1.00 0.00 C ATOM 629 O GLU A 43 -11.398 -6.705 12.274 1.00 0.00 O ATOM 630 CB GLU A 43 -9.667 -4.649 14.425 1.00 0.00 C ATOM 631 CG GLU A 43 -8.564 -4.826 15.455 1.00 0.00 C ATOM 632 CD GLU A 43 -8.436 -6.260 15.932 1.00 0.00 C ATOM 633 OE1 GLU A 43 -7.865 -7.083 15.186 1.00 0.00 O ATOM 634 OE2 GLU A 43 -8.907 -6.558 17.049 1.00 0.00 O ATOM 0 H GLU A 43 -7.983 -4.200 12.683 1.00 0.00 H new ATOM 0 HA GLU A 43 -9.231 -6.549 13.519 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -9.690 -3.607 14.105 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -10.628 -4.859 14.894 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -7.616 -4.504 15.025 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -8.763 -4.179 16.309 1.00 0.00 H new ATOM 641 N GLU A 44 -11.310 -4.476 11.973 1.00 0.00 N ATOM 642 CA GLU A 44 -12.564 -4.417 11.232 1.00 0.00 C ATOM 643 C GLU A 44 -12.678 -5.587 10.259 1.00 0.00 C ATOM 644 O GLU A 44 -13.742 -6.190 10.117 1.00 0.00 O ATOM 645 CB GLU A 44 -12.671 -3.094 10.471 1.00 0.00 C ATOM 646 CG GLU A 44 -13.299 -1.973 11.283 1.00 0.00 C ATOM 647 CD GLU A 44 -13.699 -0.787 10.428 1.00 0.00 C ATOM 648 OE1 GLU A 44 -14.385 -0.997 9.405 1.00 0.00 O ATOM 649 OE2 GLU A 44 -13.326 0.352 10.780 1.00 0.00 O ATOM 0 H GLU A 44 -10.851 -3.574 12.098 1.00 0.00 H new ATOM 0 HA GLU A 44 -13.382 -4.483 11.949 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -11.675 -2.786 10.152 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -13.260 -3.251 9.568 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -14.178 -2.354 11.803 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -12.595 -1.644 12.047 1.00 0.00 H new ATOM 656 N PHE A 45 -11.573 -5.901 9.590 1.00 0.00 N ATOM 657 CA PHE A 45 -11.548 -6.997 8.629 1.00 0.00 C ATOM 658 C PHE A 45 -10.302 -7.858 8.819 1.00 0.00 C ATOM 659 O PHE A 45 -9.232 -7.575 8.279 1.00 0.00 O ATOM 660 CB PHE A 45 -11.591 -6.452 7.200 1.00 0.00 C ATOM 661 CG PHE A 45 -12.619 -5.375 7.001 1.00 0.00 C ATOM 662 CD1 PHE A 45 -12.309 -4.048 7.251 1.00 0.00 C ATOM 663 CD2 PHE A 45 -13.896 -5.690 6.564 1.00 0.00 C ATOM 664 CE1 PHE A 45 -13.252 -3.054 7.069 1.00 0.00 C ATOM 665 CE2 PHE A 45 -14.843 -4.701 6.379 1.00 0.00 C ATOM 666 CZ PHE A 45 -14.521 -3.381 6.633 1.00 0.00 C ATOM 0 H PHE A 45 -10.684 -5.412 9.696 1.00 0.00 H new ATOM 0 HA PHE A 45 -12.428 -7.617 8.800 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -10.608 -6.058 6.940 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -11.798 -7.272 6.513 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -11.318 -3.787 7.592 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -14.154 -6.720 6.366 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -12.997 -2.023 7.267 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -15.834 -4.959 6.036 1.00 0.00 H new ATOM 0 HZ PHE A 45 -15.260 -2.607 6.491 1.00 0.00 H new ATOM 676 N PRO A 46 -10.443 -8.936 9.605 1.00 0.00 N ATOM 677 CA PRO A 46 -9.340 -9.861 9.885 1.00 0.00 C ATOM 678 C PRO A 46 -8.948 -10.683 8.662 1.00 0.00 C ATOM 679 O PRO A 46 -7.774 -10.751 8.299 1.00 0.00 O ATOM 680 CB PRO A 46 -9.908 -10.768 10.980 1.00 0.00 C ATOM 681 CG PRO A 46 -11.384 -10.718 10.786 1.00 0.00 C ATOM 682 CD PRO A 46 -11.689 -9.335 10.281 1.00 0.00 C ATOM 0 HA PRO A 46 -8.431 -9.335 10.177 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -9.531 -11.786 10.886 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -9.627 -10.414 11.972 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -11.710 -11.475 10.072 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -11.907 -10.916 11.721 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -12.536 -9.335 9.595 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -11.939 -8.656 11.096 1.00 0.00 H new ATOM 690 N ASP A 47 -9.938 -11.305 8.031 1.00 0.00 N ATOM 691 CA ASP A 47 -9.697 -12.121 6.848 1.00 0.00 C ATOM 692 C ASP A 47 -9.198 -11.264 5.689 1.00 0.00 C ATOM 693 O ASP A 47 -9.898 -10.365 5.222 1.00 0.00 O ATOM 694 CB ASP A 47 -10.974 -12.857 6.441 1.00 0.00 C ATOM 695 CG ASP A 47 -11.548 -13.690 7.571 1.00 0.00 C ATOM 696 OD1 ASP A 47 -11.572 -13.196 8.718 1.00 0.00 O ATOM 697 OD2 ASP A 47 -11.974 -14.833 7.308 1.00 0.00 O ATOM 0 H ASP A 47 -10.915 -11.259 8.320 1.00 0.00 H new ATOM 0 HA ASP A 47 -8.927 -12.853 7.093 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -11.719 -12.132 6.113 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -10.762 -13.503 5.589 1.00 0.00 H new ATOM 702 N TRP A 48 -7.984 -11.548 5.230 1.00 0.00 N ATOM 703 CA TRP A 48 -7.391 -10.801 4.126 1.00 0.00 C ATOM 704 C TRP A 48 -8.356 -10.712 2.948 1.00 0.00 C ATOM 705 O TRP A 48 -8.772 -9.623 2.554 1.00 0.00 O ATOM 706 CB TRP A 48 -6.084 -11.460 3.682 1.00 0.00 C ATOM 707 CG TRP A 48 -5.439 -10.773 2.517 1.00 0.00 C ATOM 708 CD1 TRP A 48 -5.059 -11.345 1.336 1.00 0.00 C ATOM 709 CD2 TRP A 48 -5.095 -9.387 2.422 1.00 0.00 C ATOM 710 NE1 TRP A 48 -4.500 -10.396 0.513 1.00 0.00 N ATOM 711 CE2 TRP A 48 -4.512 -9.187 1.156 1.00 0.00 C ATOM 712 CE3 TRP A 48 -5.226 -8.294 3.283 1.00 0.00 C ATOM 713 CZ2 TRP A 48 -4.060 -7.940 0.733 1.00 0.00 C ATOM 714 CZ3 TRP A 48 -4.777 -7.057 2.862 1.00 0.00 C ATOM 715 CH2 TRP A 48 -4.200 -6.887 1.596 1.00 0.00 C ATOM 0 H TRP A 48 -7.392 -12.289 5.605 1.00 0.00 H new ATOM 0 HA TRP A 48 -7.180 -9.790 4.475 1.00 0.00 H new ATOM 0 HB2 TRP A 48 -5.387 -11.470 4.520 1.00 0.00 H new ATOM 0 HB3 TRP A 48 -6.281 -12.499 3.419 1.00 0.00 H new ATOM 0 HD1 TRP A 48 -5.180 -12.389 1.086 1.00 0.00 H new ATOM 0 HE1 TRP A 48 -4.135 -10.565 -0.425 1.00 0.00 H new ATOM 0 HE3 TRP A 48 -5.670 -8.414 4.260 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 -3.615 -7.808 -0.242 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 -4.872 -6.206 3.520 1.00 0.00 H new ATOM 0 HH2 TRP A 48 -3.860 -5.907 1.296 1.00 0.00 H new ATOM 726 N THR A 49 -8.709 -11.866 2.390 1.00 0.00 N ATOM 727 CA THR A 49 -9.625 -11.918 1.257 1.00 0.00 C ATOM 728 C THR A 49 -10.790 -10.954 1.447 1.00 0.00 C ATOM 729 O THR A 49 -11.415 -10.520 0.478 1.00 0.00 O ATOM 730 CB THR A 49 -10.179 -13.340 1.047 1.00 0.00 C ATOM 731 OG1 THR A 49 -9.207 -14.309 1.454 1.00 0.00 O ATOM 732 CG2 THR A 49 -10.549 -13.566 -0.411 1.00 0.00 C ATOM 0 H THR A 49 -8.374 -12.777 2.704 1.00 0.00 H new ATOM 0 HA THR A 49 -9.054 -11.625 0.376 1.00 0.00 H new ATOM 0 HB THR A 49 -11.077 -13.450 1.654 1.00 0.00 H new ATOM 0 HG1 THR A 49 -9.312 -14.496 2.410 1.00 0.00 H new ATOM 0 HG21 THR A 49 -10.938 -14.577 -0.535 1.00 0.00 H new ATOM 0 HG22 THR A 49 -11.310 -12.845 -0.709 1.00 0.00 H new ATOM 0 HG23 THR A 49 -9.664 -13.438 -1.035 1.00 0.00 H new ATOM 740 N THR A 50 -11.078 -10.620 2.701 1.00 0.00 N ATOM 741 CA THR A 50 -12.168 -9.707 3.018 1.00 0.00 C ATOM 742 C THR A 50 -11.665 -8.274 3.151 1.00 0.00 C ATOM 743 O THR A 50 -12.290 -7.337 2.654 1.00 0.00 O ATOM 744 CB THR A 50 -12.880 -10.112 4.322 1.00 0.00 C ATOM 745 OG1 THR A 50 -13.385 -11.447 4.210 1.00 0.00 O ATOM 746 CG2 THR A 50 -14.021 -9.157 4.636 1.00 0.00 C ATOM 0 H THR A 50 -10.571 -10.969 3.514 1.00 0.00 H new ATOM 0 HA THR A 50 -12.878 -9.765 2.193 1.00 0.00 H new ATOM 0 HB THR A 50 -12.155 -10.065 5.135 1.00 0.00 H new ATOM 0 HG1 THR A 50 -13.835 -11.698 5.044 1.00 0.00 H new ATOM 0 HG21 THR A 50 -14.508 -9.464 5.561 1.00 0.00 H new ATOM 0 HG22 THR A 50 -13.629 -8.147 4.750 1.00 0.00 H new ATOM 0 HG23 THR A 50 -14.745 -9.175 3.821 1.00 0.00 H new ATOM 754 N ARG A 51 -10.531 -8.111 3.826 1.00 0.00 N ATOM 755 CA ARG A 51 -9.944 -6.791 4.025 1.00 0.00 C ATOM 756 C ARG A 51 -9.525 -6.176 2.693 1.00 0.00 C ATOM 757 O ARG A 51 -9.912 -5.053 2.367 1.00 0.00 O ATOM 758 CB ARG A 51 -8.736 -6.882 4.959 1.00 0.00 C ATOM 759 CG ARG A 51 -8.017 -5.558 5.157 1.00 0.00 C ATOM 760 CD ARG A 51 -7.094 -5.600 6.364 1.00 0.00 C ATOM 761 NE ARG A 51 -6.202 -6.756 6.331 1.00 0.00 N ATOM 762 CZ ARG A 51 -5.035 -6.802 6.963 1.00 0.00 C ATOM 763 NH1 ARG A 51 -4.620 -5.762 7.673 1.00 0.00 N ATOM 764 NH2 ARG A 51 -4.279 -7.890 6.885 1.00 0.00 N ATOM 0 H ARG A 51 -10.001 -8.876 4.244 1.00 0.00 H new ATOM 0 HA ARG A 51 -10.699 -6.150 4.480 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -9.065 -7.256 5.929 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -8.032 -7.611 4.558 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -7.439 -5.320 4.264 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -8.749 -4.761 5.285 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -6.501 -4.686 6.399 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -7.691 -5.628 7.276 1.00 0.00 H new ATOM 0 HE ARG A 51 -6.491 -7.573 5.793 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -5.198 -4.924 7.735 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -3.723 -5.800 8.157 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -4.594 -8.692 6.339 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -3.383 -7.924 7.371 1.00 0.00 H new ATOM 778 N VAL A 52 -8.732 -6.918 1.927 1.00 0.00 N ATOM 779 CA VAL A 52 -8.261 -6.447 0.630 1.00 0.00 C ATOM 780 C VAL A 52 -9.389 -5.790 -0.158 1.00 0.00 C ATOM 781 O VAL A 52 -9.191 -4.763 -0.808 1.00 0.00 O ATOM 782 CB VAL A 52 -7.668 -7.597 -0.204 1.00 0.00 C ATOM 783 CG1 VAL A 52 -8.722 -8.662 -0.471 1.00 0.00 C ATOM 784 CG2 VAL A 52 -7.092 -7.067 -1.508 1.00 0.00 C ATOM 0 H VAL A 52 -8.402 -7.849 2.182 1.00 0.00 H new ATOM 0 HA VAL A 52 -7.481 -5.711 0.825 1.00 0.00 H new ATOM 0 HB VAL A 52 -6.859 -8.055 0.365 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -8.285 -9.467 -1.062 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -9.083 -9.062 0.476 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -9.554 -8.221 -1.019 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -6.677 -7.893 -2.085 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -7.881 -6.582 -2.084 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -6.305 -6.345 -1.291 1.00 0.00 H new ATOM 794 N LYS A 53 -10.573 -6.390 -0.098 1.00 0.00 N ATOM 795 CA LYS A 53 -11.734 -5.864 -0.805 1.00 0.00 C ATOM 796 C LYS A 53 -12.090 -4.468 -0.303 1.00 0.00 C ATOM 797 O LYS A 53 -12.367 -3.567 -1.094 1.00 0.00 O ATOM 798 CB LYS A 53 -12.931 -6.801 -0.629 1.00 0.00 C ATOM 799 CG LYS A 53 -12.712 -8.184 -1.215 1.00 0.00 C ATOM 800 CD LYS A 53 -13.773 -9.165 -0.744 1.00 0.00 C ATOM 801 CE LYS A 53 -13.941 -10.317 -1.722 1.00 0.00 C ATOM 802 NZ LYS A 53 -14.957 -10.014 -2.767 1.00 0.00 N ATOM 0 H LYS A 53 -10.754 -7.242 0.434 1.00 0.00 H new ATOM 0 HA LYS A 53 -11.484 -5.798 -1.864 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -13.153 -6.897 0.434 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -13.806 -6.351 -1.098 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -12.727 -8.125 -2.303 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -11.725 -8.549 -0.929 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -13.499 -9.556 0.236 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -14.724 -8.645 -0.626 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -12.984 -10.532 -2.198 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -14.236 -11.215 -1.178 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -15.042 -10.824 -3.414 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -15.876 -9.834 -2.315 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -14.664 -9.172 -3.303 1.00 0.00 H new ATOM 816 N GLN A 54 -12.078 -4.296 1.015 1.00 0.00 N ATOM 817 CA GLN A 54 -12.399 -3.009 1.620 1.00 0.00 C ATOM 818 C GLN A 54 -11.473 -1.916 1.098 1.00 0.00 C ATOM 819 O GLN A 54 -11.914 -0.806 0.800 1.00 0.00 O ATOM 820 CB GLN A 54 -12.294 -3.098 3.144 1.00 0.00 C ATOM 821 CG GLN A 54 -13.302 -4.050 3.769 1.00 0.00 C ATOM 822 CD GLN A 54 -14.714 -3.497 3.754 1.00 0.00 C ATOM 823 OE1 GLN A 54 -14.885 -2.295 4.292 1.00 0.00 O flip ATOM 824 NE2 GLN A 54 -15.640 -4.143 3.264 1.00 0.00 N flip ATOM 0 H GLN A 54 -11.850 -5.031 1.684 1.00 0.00 H new ATOM 0 HA GLN A 54 -13.423 -2.753 1.347 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -11.288 -3.420 3.412 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -12.434 -2.104 3.568 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -13.282 -4.998 3.232 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -13.009 -4.260 4.798 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -15.463 -5.063 2.861 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -16.585 -3.758 3.261 1.00 0.00 H new ATOM 833 N ILE A 55 -10.188 -2.237 0.991 1.00 0.00 N ATOM 834 CA ILE A 55 -9.201 -1.282 0.504 1.00 0.00 C ATOM 835 C ILE A 55 -9.584 -0.748 -0.872 1.00 0.00 C ATOM 836 O ILE A 55 -9.375 0.426 -1.174 1.00 0.00 O ATOM 837 CB ILE A 55 -7.798 -1.914 0.424 1.00 0.00 C ATOM 838 CG1 ILE A 55 -7.384 -2.463 1.791 1.00 0.00 C ATOM 839 CG2 ILE A 55 -6.785 -0.893 -0.072 1.00 0.00 C ATOM 840 CD1 ILE A 55 -6.096 -3.256 1.758 1.00 0.00 C ATOM 0 H ILE A 55 -9.806 -3.151 1.235 1.00 0.00 H new ATOM 0 HA ILE A 55 -9.180 -0.459 1.218 1.00 0.00 H new ATOM 0 HB ILE A 55 -7.828 -2.741 -0.285 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -7.272 -1.633 2.488 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -8.182 -3.098 2.176 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -5.799 -1.354 -0.123 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -7.075 -0.545 -1.063 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -6.755 -0.047 0.615 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -5.864 -3.614 2.761 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -6.210 -4.107 1.086 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -5.286 -2.619 1.403 1.00 0.00 H new ATOM 852 N ALA A 56 -10.149 -1.619 -1.703 1.00 0.00 N ATOM 853 CA ALA A 56 -10.565 -1.234 -3.045 1.00 0.00 C ATOM 854 C ALA A 56 -11.785 -0.320 -3.001 1.00 0.00 C ATOM 855 O ALA A 56 -11.739 0.817 -3.472 1.00 0.00 O ATOM 856 CB ALA A 56 -10.861 -2.471 -3.881 1.00 0.00 C ATOM 0 H ALA A 56 -10.329 -2.596 -1.469 1.00 0.00 H new ATOM 0 HA ALA A 56 -9.747 -0.683 -3.508 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -11.171 -2.169 -4.881 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -9.964 -3.087 -3.949 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -11.660 -3.045 -3.412 1.00 0.00 H new ATOM 862 N LYS A 57 -12.875 -0.822 -2.432 1.00 0.00 N ATOM 863 CA LYS A 57 -14.108 -0.051 -2.324 1.00 0.00 C ATOM 864 C LYS A 57 -13.848 1.303 -1.673 1.00 0.00 C ATOM 865 O LYS A 57 -14.285 2.339 -2.175 1.00 0.00 O ATOM 866 CB LYS A 57 -15.150 -0.827 -1.515 1.00 0.00 C ATOM 867 CG LYS A 57 -14.991 -0.672 -0.012 1.00 0.00 C ATOM 868 CD LYS A 57 -16.090 -1.400 0.743 1.00 0.00 C ATOM 869 CE LYS A 57 -17.318 -0.521 0.923 1.00 0.00 C ATOM 870 NZ LYS A 57 -18.466 -1.282 1.491 1.00 0.00 N ATOM 0 H LYS A 57 -12.930 -1.761 -2.038 1.00 0.00 H new ATOM 0 HA LYS A 57 -14.491 0.118 -3.331 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -16.146 -0.491 -1.803 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -15.084 -1.884 -1.772 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -14.020 -1.060 0.294 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -15.008 0.386 0.249 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -16.365 -2.306 0.203 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -15.718 -1.711 1.719 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -17.074 0.313 1.581 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -17.604 -0.096 -0.039 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -19.283 -0.648 1.599 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -18.715 -2.063 0.851 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -18.202 -1.667 2.420 1.00 0.00 H new ATOM 884 N LEU A 58 -13.131 1.288 -0.554 1.00 0.00 N ATOM 885 CA LEU A 58 -12.811 2.516 0.165 1.00 0.00 C ATOM 886 C LEU A 58 -11.892 3.409 -0.663 1.00 0.00 C ATOM 887 O LEU A 58 -11.885 4.629 -0.501 1.00 0.00 O ATOM 888 CB LEU A 58 -12.150 2.188 1.505 1.00 0.00 C ATOM 889 CG LEU A 58 -12.942 1.270 2.437 1.00 0.00 C ATOM 890 CD1 LEU A 58 -12.028 0.662 3.490 1.00 0.00 C ATOM 891 CD2 LEU A 58 -14.082 2.033 3.095 1.00 0.00 C ATOM 0 H LEU A 58 -12.761 0.440 -0.126 1.00 0.00 H new ATOM 0 HA LEU A 58 -13.741 3.054 0.347 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -11.183 1.725 1.307 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -11.954 3.123 2.029 1.00 0.00 H new ATOM 0 HG LEU A 58 -13.368 0.461 1.843 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -12.609 0.012 4.144 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -11.246 0.080 3.001 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -11.573 1.458 4.080 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -14.635 1.364 3.755 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -13.678 2.862 3.675 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -14.752 2.420 2.327 1.00 0.00 H new ATOM 903 N TRP A 59 -11.120 2.792 -1.550 1.00 0.00 N ATOM 904 CA TRP A 59 -10.198 3.531 -2.405 1.00 0.00 C ATOM 905 C TRP A 59 -10.937 4.175 -3.573 1.00 0.00 C ATOM 906 O TRP A 59 -10.641 5.306 -3.959 1.00 0.00 O ATOM 907 CB TRP A 59 -9.101 2.603 -2.930 1.00 0.00 C ATOM 908 CG TRP A 59 -8.215 3.249 -3.952 1.00 0.00 C ATOM 909 CD1 TRP A 59 -8.231 3.038 -5.301 1.00 0.00 C ATOM 910 CD2 TRP A 59 -7.182 4.209 -3.706 1.00 0.00 C ATOM 911 NE1 TRP A 59 -7.270 3.809 -5.909 1.00 0.00 N ATOM 912 CE2 TRP A 59 -6.614 4.538 -4.953 1.00 0.00 C ATOM 913 CE3 TRP A 59 -6.683 4.826 -2.555 1.00 0.00 C ATOM 914 CZ2 TRP A 59 -5.572 5.453 -5.077 1.00 0.00 C ATOM 915 CZ3 TRP A 59 -5.649 5.734 -2.681 1.00 0.00 C ATOM 916 CH2 TRP A 59 -5.103 6.041 -3.934 1.00 0.00 C ATOM 0 H TRP A 59 -11.114 1.783 -1.696 1.00 0.00 H new ATOM 0 HA TRP A 59 -9.741 4.320 -1.808 1.00 0.00 H new ATOM 0 HB2 TRP A 59 -8.491 2.264 -2.093 1.00 0.00 H new ATOM 0 HB3 TRP A 59 -9.563 1.718 -3.367 1.00 0.00 H new ATOM 0 HD1 TRP A 59 -8.901 2.364 -5.815 1.00 0.00 H new ATOM 0 HE1 TRP A 59 -7.076 3.834 -6.910 1.00 0.00 H new ATOM 0 HE3 TRP A 59 -7.098 4.597 -1.585 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 -5.149 5.690 -6.042 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 -5.255 6.215 -1.798 1.00 0.00 H new ATOM 0 HH2 TRP A 59 -4.296 6.756 -3.999 1.00 0.00 H new ATOM 927 N ARG A 60 -11.900 3.449 -4.132 1.00 0.00 N ATOM 928 CA ARG A 60 -12.680 3.950 -5.256 1.00 0.00 C ATOM 929 C ARG A 60 -13.506 5.167 -4.846 1.00 0.00 C ATOM 930 O ARG A 60 -13.426 6.224 -5.471 1.00 0.00 O ATOM 931 CB ARG A 60 -13.601 2.854 -5.795 1.00 0.00 C ATOM 932 CG ARG A 60 -12.860 1.720 -6.483 1.00 0.00 C ATOM 933 CD ARG A 60 -13.713 1.071 -7.562 1.00 0.00 C ATOM 934 NE ARG A 60 -12.927 0.196 -8.428 1.00 0.00 N ATOM 935 CZ ARG A 60 -12.439 -0.977 -8.040 1.00 0.00 C ATOM 936 NH1 ARG A 60 -12.656 -1.414 -6.807 1.00 0.00 N ATOM 937 NH2 ARG A 60 -11.733 -1.716 -8.886 1.00 0.00 N ATOM 0 H ARG A 60 -12.158 2.512 -3.824 1.00 0.00 H new ATOM 0 HA ARG A 60 -11.986 4.251 -6.041 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -14.188 2.447 -4.972 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -14.305 3.297 -6.499 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -11.940 2.101 -6.925 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -12.573 0.971 -5.745 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -14.513 0.496 -7.095 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -14.187 1.846 -8.164 1.00 0.00 H new ATOM 0 HE ARG A 60 -12.743 0.503 -9.383 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -13.199 -0.849 -6.154 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -12.280 -2.315 -6.512 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -11.564 -1.384 -9.835 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -11.359 -2.617 -8.587 1.00 0.00 H new ATOM 951 N LYS A 61 -14.299 5.009 -3.792 1.00 0.00 N ATOM 952 CA LYS A 61 -15.139 6.093 -3.297 1.00 0.00 C ATOM 953 C LYS A 61 -14.335 7.381 -3.152 1.00 0.00 C ATOM 954 O LYS A 61 -14.859 8.476 -3.356 1.00 0.00 O ATOM 955 CB LYS A 61 -15.758 5.711 -1.950 1.00 0.00 C ATOM 956 CG LYS A 61 -14.889 6.071 -0.757 1.00 0.00 C ATOM 957 CD LYS A 61 -15.158 5.155 0.425 1.00 0.00 C ATOM 958 CE LYS A 61 -16.250 5.713 1.325 1.00 0.00 C ATOM 959 NZ LYS A 61 -16.567 4.789 2.449 1.00 0.00 N ATOM 0 H LYS A 61 -14.378 4.140 -3.264 1.00 0.00 H new ATOM 0 HA LYS A 61 -15.936 6.262 -4.021 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -16.723 6.208 -1.849 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -15.949 4.638 -1.939 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -13.838 6.005 -1.038 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -15.077 7.105 -0.467 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -15.451 4.169 0.064 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -14.242 5.024 1.001 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -15.934 6.677 1.725 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -17.150 5.892 0.737 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -17.315 5.205 3.040 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -16.893 3.878 2.068 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -15.715 4.638 3.026 1.00 0.00 H new ATOM 973 N ALA A 62 -13.061 7.242 -2.800 1.00 0.00 N ATOM 974 CA ALA A 62 -12.185 8.395 -2.632 1.00 0.00 C ATOM 975 C ALA A 62 -12.037 9.167 -3.939 1.00 0.00 C ATOM 976 O ALA A 62 -11.692 8.596 -4.973 1.00 0.00 O ATOM 977 CB ALA A 62 -10.822 7.952 -2.122 1.00 0.00 C ATOM 0 H ALA A 62 -12.613 6.343 -2.626 1.00 0.00 H new ATOM 0 HA ALA A 62 -12.638 9.060 -1.897 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -10.178 8.823 -2.001 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -10.938 7.451 -1.161 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -10.372 7.264 -2.838 1.00 0.00 H new ATOM 983 N SER A 63 -12.301 10.469 -3.884 1.00 0.00 N ATOM 984 CA SER A 63 -12.202 11.319 -5.065 1.00 0.00 C ATOM 985 C SER A 63 -10.763 11.380 -5.571 1.00 0.00 C ATOM 986 O SER A 63 -9.815 11.280 -4.792 1.00 0.00 O ATOM 987 CB SER A 63 -12.704 12.729 -4.748 1.00 0.00 C ATOM 988 OG SER A 63 -11.789 13.421 -3.916 1.00 0.00 O ATOM 0 H SER A 63 -12.585 10.958 -3.035 1.00 0.00 H new ATOM 0 HA SER A 63 -12.826 10.887 -5.847 1.00 0.00 H new ATOM 0 HB2 SER A 63 -12.849 13.284 -5.675 1.00 0.00 H new ATOM 0 HB3 SER A 63 -13.675 12.671 -4.256 1.00 0.00 H new ATOM 0 HG SER A 63 -12.132 14.320 -3.729 1.00 0.00 H new ATOM 994 N SER A 64 -10.610 11.546 -6.881 1.00 0.00 N ATOM 995 CA SER A 64 -9.288 11.617 -7.492 1.00 0.00 C ATOM 996 C SER A 64 -8.385 12.578 -6.724 1.00 0.00 C ATOM 997 O SER A 64 -7.236 12.257 -6.421 1.00 0.00 O ATOM 998 CB SER A 64 -9.401 12.062 -8.952 1.00 0.00 C ATOM 999 OG SER A 64 -10.500 11.436 -9.592 1.00 0.00 O ATOM 0 H SER A 64 -11.384 11.634 -7.539 1.00 0.00 H new ATOM 0 HA SER A 64 -8.844 10.622 -7.456 1.00 0.00 H new ATOM 0 HB2 SER A 64 -9.518 13.145 -8.998 1.00 0.00 H new ATOM 0 HB3 SER A 64 -8.480 11.818 -9.482 1.00 0.00 H new ATOM 0 HG SER A 64 -10.552 11.738 -10.523 1.00 0.00 H new ATOM 1005 N GLN A 65 -8.915 13.757 -6.414 1.00 0.00 N ATOM 1006 CA GLN A 65 -8.157 14.765 -5.683 1.00 0.00 C ATOM 1007 C GLN A 65 -7.624 14.199 -4.370 1.00 0.00 C ATOM 1008 O GLN A 65 -6.590 14.640 -3.868 1.00 0.00 O ATOM 1009 CB GLN A 65 -9.031 15.989 -5.406 1.00 0.00 C ATOM 1010 CG GLN A 65 -9.417 16.757 -6.660 1.00 0.00 C ATOM 1011 CD GLN A 65 -8.228 17.052 -7.553 1.00 0.00 C ATOM 1012 OE1 GLN A 65 -7.175 17.480 -7.082 1.00 0.00 O ATOM 1013 NE2 GLN A 65 -8.391 16.823 -8.851 1.00 0.00 N ATOM 0 H GLN A 65 -9.865 14.037 -6.657 1.00 0.00 H new ATOM 0 HA GLN A 65 -7.310 15.064 -6.300 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -9.938 15.669 -4.892 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -8.500 16.658 -4.729 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -10.154 16.182 -7.221 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -9.894 17.695 -6.375 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -9.282 16.468 -9.198 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -7.625 17.002 -9.501 1.00 0.00 H new ATOM 1022 N GLU A 66 -8.336 13.221 -3.820 1.00 0.00 N ATOM 1023 CA GLU A 66 -7.934 12.597 -2.565 1.00 0.00 C ATOM 1024 C GLU A 66 -6.779 11.624 -2.787 1.00 0.00 C ATOM 1025 O GLU A 66 -5.898 11.487 -1.939 1.00 0.00 O ATOM 1026 CB GLU A 66 -9.119 11.863 -1.932 1.00 0.00 C ATOM 1027 CG GLU A 66 -8.801 11.247 -0.581 1.00 0.00 C ATOM 1028 CD GLU A 66 -8.186 12.242 0.385 1.00 0.00 C ATOM 1029 OE1 GLU A 66 -7.005 12.599 0.195 1.00 0.00 O ATOM 1030 OE2 GLU A 66 -8.886 12.663 1.329 1.00 0.00 O ATOM 0 H GLU A 66 -9.194 12.844 -4.223 1.00 0.00 H new ATOM 0 HA GLU A 66 -7.599 13.383 -1.888 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -9.949 12.561 -1.818 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -9.454 11.078 -2.610 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -9.715 10.842 -0.147 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -8.116 10.410 -0.720 1.00 0.00 H new ATOM 1037 N ARG A 67 -6.792 10.951 -3.933 1.00 0.00 N ATOM 1038 CA ARG A 67 -5.748 9.990 -4.266 1.00 0.00 C ATOM 1039 C ARG A 67 -4.481 10.702 -4.729 1.00 0.00 C ATOM 1040 O ARG A 67 -3.382 10.156 -4.641 1.00 0.00 O ATOM 1041 CB ARG A 67 -6.235 9.032 -5.355 1.00 0.00 C ATOM 1042 CG ARG A 67 -7.666 8.562 -5.157 1.00 0.00 C ATOM 1043 CD ARG A 67 -8.179 7.808 -6.375 1.00 0.00 C ATOM 1044 NE ARG A 67 -7.153 6.948 -6.957 1.00 0.00 N ATOM 1045 CZ ARG A 67 -6.310 7.346 -7.903 1.00 0.00 C ATOM 1046 NH1 ARG A 67 -6.370 8.586 -8.370 1.00 0.00 N ATOM 1047 NH2 ARG A 67 -5.403 6.504 -8.384 1.00 0.00 N ATOM 0 H ARG A 67 -7.514 11.054 -4.646 1.00 0.00 H new ATOM 0 HA ARG A 67 -5.515 9.419 -3.367 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -6.154 9.525 -6.324 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -5.577 8.164 -5.384 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -7.720 7.918 -4.279 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -8.308 9.421 -4.962 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -9.041 7.204 -6.091 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -8.523 8.521 -7.125 1.00 0.00 H new ATOM 0 HE ARG A 67 -7.079 5.989 -6.619 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -7.065 9.236 -8.003 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -5.721 8.889 -9.097 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -5.353 5.550 -8.027 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -4.756 6.811 -9.111 1.00 0.00 H new ATOM 1061 N ALA A 68 -4.643 11.925 -5.224 1.00 0.00 N ATOM 1062 CA ALA A 68 -3.513 12.713 -5.699 1.00 0.00 C ATOM 1063 C ALA A 68 -2.261 12.429 -4.876 1.00 0.00 C ATOM 1064 O ALA A 68 -1.229 12.005 -5.397 1.00 0.00 O ATOM 1065 CB ALA A 68 -3.849 14.196 -5.658 1.00 0.00 C ATOM 0 H ALA A 68 -5.546 12.391 -5.306 1.00 0.00 H new ATOM 0 HA ALA A 68 -3.310 12.426 -6.731 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -2.996 14.772 -6.016 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -4.712 14.391 -6.295 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -4.081 14.488 -4.634 1.00 0.00 H new ATOM 1071 N PRO A 69 -2.350 12.669 -3.560 1.00 0.00 N ATOM 1072 CA PRO A 69 -1.233 12.446 -2.637 1.00 0.00 C ATOM 1073 C PRO A 69 -0.926 10.965 -2.446 1.00 0.00 C ATOM 1074 O PRO A 69 0.219 10.536 -2.589 1.00 0.00 O ATOM 1075 CB PRO A 69 -1.728 13.063 -1.326 1.00 0.00 C ATOM 1076 CG PRO A 69 -3.214 13.001 -1.415 1.00 0.00 C ATOM 1077 CD PRO A 69 -3.549 13.175 -2.870 1.00 0.00 C ATOM 0 HA PRO A 69 -0.305 12.883 -3.006 1.00 0.00 H new ATOM 0 HB2 PRO A 69 -1.360 12.508 -0.463 1.00 0.00 H new ATOM 0 HB3 PRO A 69 -1.381 14.090 -1.216 1.00 0.00 H new ATOM 0 HG2 PRO A 69 -3.588 12.048 -1.040 1.00 0.00 H new ATOM 0 HG3 PRO A 69 -3.674 13.784 -0.812 1.00 0.00 H new ATOM 0 HD2 PRO A 69 -4.440 12.611 -3.147 1.00 0.00 H new ATOM 0 HD3 PRO A 69 -3.743 14.219 -3.115 1.00 0.00 H new ATOM 1085 N TYR A 70 -1.954 10.189 -2.123 1.00 0.00 N ATOM 1086 CA TYR A 70 -1.793 8.755 -1.910 1.00 0.00 C ATOM 1087 C TYR A 70 -1.252 8.076 -3.165 1.00 0.00 C ATOM 1088 O TYR A 70 -0.775 6.943 -3.115 1.00 0.00 O ATOM 1089 CB TYR A 70 -3.127 8.124 -1.511 1.00 0.00 C ATOM 1090 CG TYR A 70 -3.775 8.784 -0.314 1.00 0.00 C ATOM 1091 CD1 TYR A 70 -3.144 8.793 0.924 1.00 0.00 C ATOM 1092 CD2 TYR A 70 -5.017 9.397 -0.420 1.00 0.00 C ATOM 1093 CE1 TYR A 70 -3.732 9.393 2.021 1.00 0.00 C ATOM 1094 CE2 TYR A 70 -5.611 10.002 0.670 1.00 0.00 C ATOM 1095 CZ TYR A 70 -4.965 9.997 1.889 1.00 0.00 C ATOM 1096 OH TYR A 70 -5.554 10.596 2.978 1.00 0.00 O ATOM 0 H TYR A 70 -2.908 10.529 -2.003 1.00 0.00 H new ATOM 0 HA TYR A 70 -1.075 8.612 -1.102 1.00 0.00 H new ATOM 0 HB2 TYR A 70 -3.811 8.175 -2.358 1.00 0.00 H new ATOM 0 HB3 TYR A 70 -2.969 7.068 -1.292 1.00 0.00 H new ATOM 0 HD1 TYR A 70 -2.177 8.323 1.031 1.00 0.00 H new ATOM 0 HD2 TYR A 70 -5.527 9.401 -1.372 1.00 0.00 H new ATOM 0 HE1 TYR A 70 -3.229 9.389 2.977 1.00 0.00 H new ATOM 0 HE2 TYR A 70 -6.576 10.476 0.569 1.00 0.00 H new ATOM 0 HH TYR A 70 -6.103 9.939 3.455 1.00 0.00 H new ATOM 1106 N VAL A 71 -1.329 8.779 -4.291 1.00 0.00 N ATOM 1107 CA VAL A 71 -0.847 8.247 -5.559 1.00 0.00 C ATOM 1108 C VAL A 71 0.647 8.502 -5.730 1.00 0.00 C ATOM 1109 O VAL A 71 1.371 7.667 -6.269 1.00 0.00 O ATOM 1110 CB VAL A 71 -1.602 8.865 -6.751 1.00 0.00 C ATOM 1111 CG1 VAL A 71 -1.024 8.365 -8.066 1.00 0.00 C ATOM 1112 CG2 VAL A 71 -3.088 8.553 -6.659 1.00 0.00 C ATOM 0 H VAL A 71 -1.721 9.719 -4.350 1.00 0.00 H new ATOM 0 HA VAL A 71 -1.030 7.173 -5.541 1.00 0.00 H new ATOM 0 HB VAL A 71 -1.478 9.947 -6.716 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -1.570 8.812 -8.897 1.00 0.00 H new ATOM 0 HG12 VAL A 71 0.028 8.644 -8.131 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -1.115 7.280 -8.114 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -3.606 8.997 -7.509 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -3.234 7.473 -6.669 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -3.490 8.965 -5.733 1.00 0.00 H new ATOM 1122 N GLN A 72 1.100 9.662 -5.266 1.00 0.00 N ATOM 1123 CA GLN A 72 2.507 10.028 -5.367 1.00 0.00 C ATOM 1124 C GLN A 72 3.307 9.442 -4.208 1.00 0.00 C ATOM 1125 O GLN A 72 4.380 8.872 -4.406 1.00 0.00 O ATOM 1126 CB GLN A 72 2.661 11.550 -5.391 1.00 0.00 C ATOM 1127 CG GLN A 72 4.065 12.025 -5.053 1.00 0.00 C ATOM 1128 CD GLN A 72 5.060 11.737 -6.160 1.00 0.00 C ATOM 1129 OE1 GLN A 72 4.959 12.284 -7.259 1.00 0.00 O ATOM 1130 NE2 GLN A 72 6.029 10.875 -5.875 1.00 0.00 N ATOM 0 H GLN A 72 0.513 10.364 -4.816 1.00 0.00 H new ATOM 0 HA GLN A 72 2.897 9.617 -6.298 1.00 0.00 H new ATOM 0 HB2 GLN A 72 2.390 11.919 -6.380 1.00 0.00 H new ATOM 0 HB3 GLN A 72 1.958 11.989 -4.684 1.00 0.00 H new ATOM 0 HG2 GLN A 72 4.045 13.097 -4.858 1.00 0.00 H new ATOM 0 HG3 GLN A 72 4.398 11.540 -4.135 1.00 0.00 H new ATOM 0 HE21 GLN A 72 6.074 10.446 -4.951 1.00 0.00 H new ATOM 0 HE22 GLN A 72 6.728 10.642 -6.580 1.00 0.00 H new ATOM 1139 N LYS A 73 2.778 9.587 -2.998 1.00 0.00 N ATOM 1140 CA LYS A 73 3.441 9.071 -1.806 1.00 0.00 C ATOM 1141 C LYS A 73 3.852 7.615 -1.999 1.00 0.00 C ATOM 1142 O LYS A 73 4.967 7.225 -1.654 1.00 0.00 O ATOM 1143 CB LYS A 73 2.519 9.196 -0.591 1.00 0.00 C ATOM 1144 CG LYS A 73 3.213 8.912 0.730 1.00 0.00 C ATOM 1145 CD LYS A 73 2.438 9.489 1.902 1.00 0.00 C ATOM 1146 CE LYS A 73 2.671 8.687 3.174 1.00 0.00 C ATOM 1147 NZ LYS A 73 3.832 9.203 3.950 1.00 0.00 N ATOM 0 H LYS A 73 1.892 10.058 -2.817 1.00 0.00 H new ATOM 0 HA LYS A 73 4.340 9.663 -1.635 1.00 0.00 H new ATOM 0 HB2 LYS A 73 2.102 10.203 -0.564 1.00 0.00 H new ATOM 0 HB3 LYS A 73 1.682 8.507 -0.708 1.00 0.00 H new ATOM 0 HG2 LYS A 73 3.323 7.835 0.860 1.00 0.00 H new ATOM 0 HG3 LYS A 73 4.217 9.335 0.713 1.00 0.00 H new ATOM 0 HD2 LYS A 73 2.738 10.524 2.063 1.00 0.00 H new ATOM 0 HD3 LYS A 73 1.374 9.498 1.666 1.00 0.00 H new ATOM 0 HE2 LYS A 73 1.775 8.722 3.794 1.00 0.00 H new ATOM 0 HE3 LYS A 73 2.841 7.641 2.918 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 3.958 8.630 4.809 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 4.692 9.147 3.367 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 3.659 10.193 4.217 1.00 0.00 H new ATOM 1161 N ALA A 74 2.945 6.817 -2.552 1.00 0.00 N ATOM 1162 CA ALA A 74 3.215 5.405 -2.794 1.00 0.00 C ATOM 1163 C ALA A 74 4.490 5.222 -3.610 1.00 0.00 C ATOM 1164 O ALA A 74 5.344 4.404 -3.269 1.00 0.00 O ATOM 1165 CB ALA A 74 2.035 4.756 -3.501 1.00 0.00 C ATOM 0 H ALA A 74 2.016 7.124 -2.841 1.00 0.00 H new ATOM 0 HA ALA A 74 3.359 4.917 -1.830 1.00 0.00 H new ATOM 0 HB1 ALA A 74 2.250 3.702 -3.675 1.00 0.00 H new ATOM 0 HB2 ALA A 74 1.144 4.846 -2.880 1.00 0.00 H new ATOM 0 HB3 ALA A 74 1.864 5.254 -4.455 1.00 0.00 H new ATOM 1171 N ARG A 75 4.611 5.988 -4.689 1.00 0.00 N ATOM 1172 CA ARG A 75 5.781 5.908 -5.555 1.00 0.00 C ATOM 1173 C ARG A 75 7.048 6.285 -4.793 1.00 0.00 C ATOM 1174 O ARG A 75 8.064 5.594 -4.878 1.00 0.00 O ATOM 1175 CB ARG A 75 5.609 6.827 -6.766 1.00 0.00 C ATOM 1176 CG ARG A 75 4.496 6.394 -7.707 1.00 0.00 C ATOM 1177 CD ARG A 75 3.963 7.566 -8.515 1.00 0.00 C ATOM 1178 NE ARG A 75 4.852 7.919 -9.619 1.00 0.00 N ATOM 1179 CZ ARG A 75 4.548 8.818 -10.549 1.00 0.00 C ATOM 1180 NH1 ARG A 75 3.384 9.451 -10.508 1.00 0.00 N ATOM 1181 NH2 ARG A 75 5.409 9.084 -11.522 1.00 0.00 N ATOM 0 H ARG A 75 3.913 6.671 -4.984 1.00 0.00 H new ATOM 0 HA ARG A 75 5.878 4.878 -5.899 1.00 0.00 H new ATOM 0 HB2 ARG A 75 5.405 7.839 -6.417 1.00 0.00 H new ATOM 0 HB3 ARG A 75 6.547 6.864 -7.320 1.00 0.00 H new ATOM 0 HG2 ARG A 75 4.868 5.624 -8.383 1.00 0.00 H new ATOM 0 HG3 ARG A 75 3.685 5.948 -7.132 1.00 0.00 H new ATOM 0 HD2 ARG A 75 2.978 7.317 -8.909 1.00 0.00 H new ATOM 0 HD3 ARG A 75 3.836 8.429 -7.861 1.00 0.00 H new ATOM 0 HE ARG A 75 5.756 7.450 -9.679 1.00 0.00 H new ATOM 0 HH11 ARG A 75 2.719 9.248 -9.761 1.00 0.00 H new ATOM 0 HH12 ARG A 75 3.153 10.141 -11.223 1.00 0.00 H new ATOM 0 HH21 ARG A 75 6.305 8.598 -11.557 1.00 0.00 H new ATOM 0 HH22 ARG A 75 5.175 9.774 -12.236 1.00 0.00 H new ATOM 1195 N ASP A 76 6.981 7.383 -4.050 1.00 0.00 N ATOM 1196 CA ASP A 76 8.122 7.852 -3.272 1.00 0.00 C ATOM 1197 C ASP A 76 8.497 6.839 -2.194 1.00 0.00 C ATOM 1198 O ASP A 76 9.675 6.637 -1.903 1.00 0.00 O ATOM 1199 CB ASP A 76 7.809 9.205 -2.631 1.00 0.00 C ATOM 1200 CG ASP A 76 9.054 10.037 -2.398 1.00 0.00 C ATOM 1201 OD1 ASP A 76 9.887 10.130 -3.324 1.00 0.00 O ATOM 1202 OD2 ASP A 76 9.196 10.596 -1.290 1.00 0.00 O ATOM 0 H ASP A 76 6.148 7.966 -3.970 1.00 0.00 H new ATOM 0 HA ASP A 76 8.969 7.967 -3.948 1.00 0.00 H new ATOM 0 HB2 ASP A 76 7.121 9.757 -3.272 1.00 0.00 H new ATOM 0 HB3 ASP A 76 7.300 9.044 -1.681 1.00 0.00 H new ATOM 1207 N ASN A 77 7.487 6.207 -1.606 1.00 0.00 N ATOM 1208 CA ASN A 77 7.711 5.216 -0.559 1.00 0.00 C ATOM 1209 C ASN A 77 8.579 4.071 -1.072 1.00 0.00 C ATOM 1210 O ASN A 77 9.320 3.451 -0.308 1.00 0.00 O ATOM 1211 CB ASN A 77 6.376 4.671 -0.050 1.00 0.00 C ATOM 1212 CG ASN A 77 5.759 5.556 1.015 1.00 0.00 C ATOM 1213 OD1 ASN A 77 6.455 6.320 1.684 1.00 0.00 O ATOM 1214 ND2 ASN A 77 4.444 5.457 1.178 1.00 0.00 N ATOM 0 H ASN A 77 6.506 6.363 -1.836 1.00 0.00 H new ATOM 0 HA ASN A 77 8.233 5.704 0.264 1.00 0.00 H new ATOM 0 HB2 ASN A 77 5.683 4.576 -0.886 1.00 0.00 H new ATOM 0 HB3 ASN A 77 6.526 3.670 0.355 1.00 0.00 H new ATOM 0 HD21 ASN A 77 3.973 6.028 1.880 1.00 0.00 H new ATOM 0 HD22 ASN A 77 3.906 4.810 0.601 1.00 0.00 H new ATOM 1221 N ARG A 78 8.482 3.796 -2.368 1.00 0.00 N ATOM 1222 CA ARG A 78 9.257 2.724 -2.982 1.00 0.00 C ATOM 1223 C ARG A 78 10.743 3.072 -3.004 1.00 0.00 C ATOM 1224 O ARG A 78 11.597 2.195 -2.879 1.00 0.00 O ATOM 1225 CB ARG A 78 8.764 2.460 -4.406 1.00 0.00 C ATOM 1226 CG ARG A 78 7.422 1.749 -4.463 1.00 0.00 C ATOM 1227 CD ARG A 78 7.024 1.425 -5.895 1.00 0.00 C ATOM 1228 NE ARG A 78 7.032 2.611 -6.747 1.00 0.00 N ATOM 1229 CZ ARG A 78 6.971 2.564 -8.073 1.00 0.00 C ATOM 1230 NH1 ARG A 78 6.898 1.396 -8.695 1.00 0.00 N ATOM 1231 NH2 ARG A 78 6.983 3.687 -8.779 1.00 0.00 N ATOM 0 H ARG A 78 7.874 4.300 -3.014 1.00 0.00 H new ATOM 0 HA ARG A 78 9.120 1.823 -2.384 1.00 0.00 H new ATOM 0 HB2 ARG A 78 8.686 3.409 -4.936 1.00 0.00 H new ATOM 0 HB3 ARG A 78 9.506 1.861 -4.933 1.00 0.00 H new ATOM 0 HG2 ARG A 78 7.471 0.829 -3.881 1.00 0.00 H new ATOM 0 HG3 ARG A 78 6.657 2.376 -4.004 1.00 0.00 H new ATOM 0 HD2 ARG A 78 7.709 0.682 -6.302 1.00 0.00 H new ATOM 0 HD3 ARG A 78 6.029 0.980 -5.903 1.00 0.00 H new ATOM 0 HE ARG A 78 7.087 3.526 -6.299 1.00 0.00 H new ATOM 0 HH11 ARG A 78 6.889 0.531 -8.155 1.00 0.00 H new ATOM 0 HH12 ARG A 78 6.851 1.363 -9.713 1.00 0.00 H new ATOM 0 HH21 ARG A 78 7.039 4.588 -8.304 1.00 0.00 H new ATOM 0 HH22 ARG A 78 6.936 3.650 -9.797 1.00 0.00 H new ATOM 1245 N ALA A 79 11.042 4.357 -3.162 1.00 0.00 N ATOM 1246 CA ALA A 79 12.424 4.821 -3.199 1.00 0.00 C ATOM 1247 C ALA A 79 13.088 4.675 -1.833 1.00 0.00 C ATOM 1248 O ALA A 79 14.174 4.110 -1.718 1.00 0.00 O ATOM 1249 CB ALA A 79 12.483 6.268 -3.665 1.00 0.00 C ATOM 0 H ALA A 79 10.346 5.095 -3.266 1.00 0.00 H new ATOM 0 HA ALA A 79 12.971 4.200 -3.909 1.00 0.00 H new ATOM 0 HB1 ALA A 79 13.521 6.601 -3.688 1.00 0.00 H new ATOM 0 HB2 ALA A 79 12.055 6.346 -4.664 1.00 0.00 H new ATOM 0 HB3 ALA A 79 11.916 6.895 -2.977 1.00 0.00 H new ATOM 1255 N ALA A 80 12.427 5.190 -0.801 1.00 0.00 N ATOM 1256 CA ALA A 80 12.953 5.116 0.556 1.00 0.00 C ATOM 1257 C ALA A 80 13.587 3.756 0.826 1.00 0.00 C ATOM 1258 O ALA A 80 14.662 3.668 1.420 1.00 0.00 O ATOM 1259 CB ALA A 80 11.849 5.396 1.565 1.00 0.00 C ATOM 0 H ALA A 80 11.527 5.663 -0.879 1.00 0.00 H new ATOM 0 HA ALA A 80 13.728 5.875 0.661 1.00 0.00 H new ATOM 0 HB1 ALA A 80 12.255 5.338 2.575 1.00 0.00 H new ATOM 0 HB2 ALA A 80 11.444 6.393 1.394 1.00 0.00 H new ATOM 0 HB3 ALA A 80 11.055 4.658 1.450 1.00 0.00 H new ATOM 1265 N LEU A 81 12.915 2.698 0.386 1.00 0.00 N ATOM 1266 CA LEU A 81 13.413 1.340 0.581 1.00 0.00 C ATOM 1267 C LEU A 81 14.654 1.089 -0.269 1.00 0.00 C ATOM 1268 O LEU A 81 15.626 0.491 0.195 1.00 0.00 O ATOM 1269 CB LEU A 81 12.326 0.322 0.231 1.00 0.00 C ATOM 1270 CG LEU A 81 10.945 0.581 0.833 1.00 0.00 C ATOM 1271 CD1 LEU A 81 9.958 -0.485 0.382 1.00 0.00 C ATOM 1272 CD2 LEU A 81 11.025 0.628 2.352 1.00 0.00 C ATOM 0 H LEU A 81 12.024 2.754 -0.108 1.00 0.00 H new ATOM 0 HA LEU A 81 13.685 1.225 1.630 1.00 0.00 H new ATOM 0 HB2 LEU A 81 12.226 0.285 -0.854 1.00 0.00 H new ATOM 0 HB3 LEU A 81 12.662 -0.664 0.554 1.00 0.00 H new ATOM 0 HG LEU A 81 10.591 1.549 0.478 1.00 0.00 H new ATOM 0 HD11 LEU A 81 8.980 -0.284 0.820 1.00 0.00 H new ATOM 0 HD12 LEU A 81 9.878 -0.470 -0.705 1.00 0.00 H new ATOM 0 HD13 LEU A 81 10.307 -1.465 0.707 1.00 0.00 H new ATOM 0 HD21 LEU A 81 10.033 0.813 2.763 1.00 0.00 H new ATOM 0 HD22 LEU A 81 11.401 -0.324 2.726 1.00 0.00 H new ATOM 0 HD23 LEU A 81 11.699 1.429 2.656 1.00 0.00 H new ATOM 1284 N ARG A 82 14.616 1.550 -1.515 1.00 0.00 N ATOM 1285 CA ARG A 82 15.738 1.376 -2.429 1.00 0.00 C ATOM 1286 C ARG A 82 17.012 1.984 -1.848 1.00 0.00 C ATOM 1287 O ARG A 82 18.093 1.406 -1.959 1.00 0.00 O ATOM 1288 CB ARG A 82 15.425 2.016 -3.782 1.00 0.00 C ATOM 1289 CG ARG A 82 16.656 2.258 -4.641 1.00 0.00 C ATOM 1290 CD ARG A 82 16.304 2.302 -6.120 1.00 0.00 C ATOM 1291 NE ARG A 82 17.480 2.523 -6.956 1.00 0.00 N ATOM 1292 CZ ARG A 82 17.494 2.331 -8.270 1.00 0.00 C ATOM 1293 NH1 ARG A 82 16.400 1.918 -8.895 1.00 0.00 N ATOM 1294 NH2 ARG A 82 18.604 2.554 -8.963 1.00 0.00 N ATOM 0 H ARG A 82 13.820 2.047 -1.915 1.00 0.00 H new ATOM 0 HA ARG A 82 15.898 0.307 -2.569 1.00 0.00 H new ATOM 0 HB2 ARG A 82 14.733 1.374 -4.327 1.00 0.00 H new ATOM 0 HB3 ARG A 82 14.916 2.965 -3.616 1.00 0.00 H new ATOM 0 HG2 ARG A 82 17.125 3.198 -4.350 1.00 0.00 H new ATOM 0 HG3 ARG A 82 17.386 1.468 -4.463 1.00 0.00 H new ATOM 0 HD2 ARG A 82 15.826 1.365 -6.407 1.00 0.00 H new ATOM 0 HD3 ARG A 82 15.579 3.097 -6.297 1.00 0.00 H new ATOM 0 HE ARG A 82 18.338 2.842 -6.506 1.00 0.00 H new ATOM 0 HH11 ARG A 82 15.545 1.747 -8.366 1.00 0.00 H new ATOM 0 HH12 ARG A 82 16.414 1.771 -9.904 1.00 0.00 H new ATOM 0 HH21 ARG A 82 19.447 2.873 -8.486 1.00 0.00 H new ATOM 0 HH22 ARG A 82 18.614 2.406 -9.972 1.00 0.00 H new ATOM 1308 N ILE A 83 16.875 3.153 -1.231 1.00 0.00 N ATOM 1309 CA ILE A 83 18.014 3.838 -0.634 1.00 0.00 C ATOM 1310 C ILE A 83 18.472 3.136 0.640 1.00 0.00 C ATOM 1311 O ILE A 83 19.651 2.823 0.799 1.00 0.00 O ATOM 1312 CB ILE A 83 17.679 5.305 -0.306 1.00 0.00 C ATOM 1313 CG1 ILE A 83 17.593 6.131 -1.591 1.00 0.00 C ATOM 1314 CG2 ILE A 83 18.722 5.889 0.637 1.00 0.00 C ATOM 1315 CD1 ILE A 83 16.221 6.118 -2.227 1.00 0.00 C ATOM 0 H ILE A 83 15.987 3.645 -1.132 1.00 0.00 H new ATOM 0 HA ILE A 83 18.818 3.813 -1.369 1.00 0.00 H new ATOM 0 HB ILE A 83 16.709 5.338 0.191 1.00 0.00 H new ATOM 0 HG12 ILE A 83 17.873 7.161 -1.370 1.00 0.00 H new ATOM 0 HG13 ILE A 83 18.320 5.750 -2.308 1.00 0.00 H new ATOM 0 HG21 ILE A 83 18.471 6.926 0.859 1.00 0.00 H new ATOM 0 HG22 ILE A 83 18.739 5.313 1.562 1.00 0.00 H new ATOM 0 HG23 ILE A 83 19.704 5.846 0.165 1.00 0.00 H new ATOM 0 HD11 ILE A 83 16.234 6.724 -3.133 1.00 0.00 H new ATOM 0 HD12 ILE A 83 15.947 5.094 -2.479 1.00 0.00 H new ATOM 0 HD13 ILE A 83 15.492 6.527 -1.528 1.00 0.00 H new ATOM 1327 N ASN A 84 17.530 2.889 1.545 1.00 0.00 N ATOM 1328 CA ASN A 84 17.836 2.222 2.805 1.00 0.00 C ATOM 1329 C ASN A 84 18.591 0.919 2.561 1.00 0.00 C ATOM 1330 O ASN A 84 19.616 0.654 3.189 1.00 0.00 O ATOM 1331 CB ASN A 84 16.549 1.942 3.583 1.00 0.00 C ATOM 1332 CG ASN A 84 16.069 3.151 4.361 1.00 0.00 C ATOM 1333 OD1 ASN A 84 16.718 3.591 5.311 1.00 0.00 O ATOM 1334 ND2 ASN A 84 14.926 3.696 3.962 1.00 0.00 N ATOM 0 H ASN A 84 16.548 3.141 1.429 1.00 0.00 H new ATOM 0 HA ASN A 84 18.471 2.884 3.394 1.00 0.00 H new ATOM 0 HB2 ASN A 84 15.770 1.627 2.889 1.00 0.00 H new ATOM 0 HB3 ASN A 84 16.717 1.114 4.271 1.00 0.00 H new ATOM 0 HD21 ASN A 84 14.553 4.512 4.448 1.00 0.00 H new ATOM 0 HD22 ASN A 84 14.421 3.299 3.170 1.00 0.00 H new ATOM 1341 N LYS A 85 18.076 0.107 1.643 1.00 0.00 N ATOM 1342 CA LYS A 85 18.701 -1.169 1.313 1.00 0.00 C ATOM 1343 C LYS A 85 20.208 -1.008 1.140 1.00 0.00 C ATOM 1344 O LYS A 85 20.671 -0.082 0.473 1.00 0.00 O ATOM 1345 CB LYS A 85 18.088 -1.744 0.034 1.00 0.00 C ATOM 1346 CG LYS A 85 16.752 -2.432 0.256 1.00 0.00 C ATOM 1347 CD LYS A 85 16.082 -2.786 -1.061 1.00 0.00 C ATOM 1348 CE LYS A 85 14.800 -3.575 -0.840 1.00 0.00 C ATOM 1349 NZ LYS A 85 13.691 -2.707 -0.357 1.00 0.00 N ATOM 0 H LYS A 85 17.228 0.310 1.114 1.00 0.00 H new ATOM 0 HA LYS A 85 18.520 -1.859 2.137 1.00 0.00 H new ATOM 0 HB2 LYS A 85 17.957 -0.940 -0.690 1.00 0.00 H new ATOM 0 HB3 LYS A 85 18.786 -2.457 -0.405 1.00 0.00 H new ATOM 0 HG2 LYS A 85 16.901 -3.337 0.844 1.00 0.00 H new ATOM 0 HG3 LYS A 85 16.098 -1.780 0.835 1.00 0.00 H new ATOM 0 HD2 LYS A 85 15.858 -1.873 -1.613 1.00 0.00 H new ATOM 0 HD3 LYS A 85 16.769 -3.370 -1.674 1.00 0.00 H new ATOM 0 HE2 LYS A 85 14.505 -4.057 -1.772 1.00 0.00 H new ATOM 0 HE3 LYS A 85 14.982 -4.368 -0.115 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 12.779 -3.160 -0.568 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 13.780 -2.569 0.670 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 13.738 -1.785 -0.835 1.00 0.00 H new ATOM 1363 N VAL A 86 20.969 -1.916 1.743 1.00 0.00 N ATOM 1364 CA VAL A 86 22.423 -1.876 1.653 1.00 0.00 C ATOM 1365 C VAL A 86 22.977 -3.193 1.120 1.00 0.00 C ATOM 1366 O VAL A 86 24.076 -3.237 0.567 1.00 0.00 O ATOM 1367 CB VAL A 86 23.063 -1.580 3.022 1.00 0.00 C ATOM 1368 CG1 VAL A 86 24.578 -1.685 2.939 1.00 0.00 C ATOM 1369 CG2 VAL A 86 22.642 -0.205 3.519 1.00 0.00 C ATOM 0 H VAL A 86 20.602 -2.688 2.299 1.00 0.00 H new ATOM 0 HA VAL A 86 22.675 -1.072 0.961 1.00 0.00 H new ATOM 0 HB VAL A 86 22.711 -2.324 3.737 1.00 0.00 H new ATOM 0 HG11 VAL A 86 25.012 -1.472 3.916 1.00 0.00 H new ATOM 0 HG12 VAL A 86 24.857 -2.692 2.630 1.00 0.00 H new ATOM 0 HG13 VAL A 86 24.953 -0.965 2.211 1.00 0.00 H new ATOM 0 HG21 VAL A 86 23.103 -0.011 4.488 1.00 0.00 H new ATOM 0 HG22 VAL A 86 22.964 0.554 2.806 1.00 0.00 H new ATOM 0 HG23 VAL A 86 21.557 -0.171 3.620 1.00 0.00 H new ATOM 1379 N GLN A 87 22.208 -4.264 1.291 1.00 0.00 N ATOM 1380 CA GLN A 87 22.623 -5.583 0.827 1.00 0.00 C ATOM 1381 C GLN A 87 21.441 -6.353 0.248 1.00 0.00 C ATOM 1382 O GLN A 87 20.319 -6.250 0.743 1.00 0.00 O ATOM 1383 CB GLN A 87 23.251 -6.376 1.974 1.00 0.00 C ATOM 1384 CG GLN A 87 22.329 -6.551 3.169 1.00 0.00 C ATOM 1385 CD GLN A 87 22.308 -5.335 4.074 1.00 0.00 C ATOM 1386 OE1 GLN A 87 21.324 -4.595 4.116 1.00 0.00 O ATOM 1387 NE2 GLN A 87 23.396 -5.121 4.804 1.00 0.00 N ATOM 0 H GLN A 87 21.296 -4.244 1.747 1.00 0.00 H new ATOM 0 HA GLN A 87 23.365 -5.447 0.040 1.00 0.00 H new ATOM 0 HB2 GLN A 87 23.546 -7.359 1.606 1.00 0.00 H new ATOM 0 HB3 GLN A 87 24.161 -5.871 2.298 1.00 0.00 H new ATOM 0 HG2 GLN A 87 21.318 -6.754 2.816 1.00 0.00 H new ATOM 0 HG3 GLN A 87 22.647 -7.421 3.744 1.00 0.00 H new ATOM 0 HE21 GLN A 87 24.188 -5.760 4.738 1.00 0.00 H new ATOM 0 HE22 GLN A 87 23.440 -4.318 5.431 1.00 0.00 H new ATOM 1396 N MET A 88 21.700 -7.124 -0.803 1.00 0.00 N ATOM 1397 CA MET A 88 20.656 -7.912 -1.448 1.00 0.00 C ATOM 1398 C MET A 88 20.823 -9.396 -1.133 1.00 0.00 C ATOM 1399 O MET A 88 21.463 -10.131 -1.885 1.00 0.00 O ATOM 1400 CB MET A 88 20.685 -7.693 -2.962 1.00 0.00 C ATOM 1401 CG MET A 88 20.388 -6.261 -3.374 1.00 0.00 C ATOM 1402 SD MET A 88 21.775 -5.149 -3.069 1.00 0.00 S ATOM 1403 CE MET A 88 21.960 -4.389 -4.680 1.00 0.00 C ATOM 0 H MET A 88 22.623 -7.220 -1.226 1.00 0.00 H new ATOM 0 HA MET A 88 19.693 -7.582 -1.059 1.00 0.00 H new ATOM 0 HB2 MET A 88 21.666 -7.976 -3.343 1.00 0.00 H new ATOM 0 HB3 MET A 88 19.958 -8.356 -3.431 1.00 0.00 H new ATOM 0 HG2 MET A 88 20.134 -6.237 -4.434 1.00 0.00 H new ATOM 0 HG3 MET A 88 19.514 -5.904 -2.829 1.00 0.00 H new ATOM 0 HE1 MET A 88 22.782 -3.673 -4.653 1.00 0.00 H new ATOM 0 HE2 MET A 88 22.173 -5.158 -5.423 1.00 0.00 H new ATOM 0 HE3 MET A 88 21.038 -3.872 -4.947 1.00 0.00 H new ATOM 1413 N SER A 89 20.243 -9.829 -0.018 1.00 0.00 N ATOM 1414 CA SER A 89 20.331 -11.224 0.397 1.00 0.00 C ATOM 1415 C SER A 89 19.016 -11.952 0.137 1.00 0.00 C ATOM 1416 O SER A 89 18.559 -12.743 0.961 1.00 0.00 O ATOM 1417 CB SER A 89 20.693 -11.314 1.881 1.00 0.00 C ATOM 1418 OG SER A 89 22.005 -10.832 2.116 1.00 0.00 O ATOM 0 H SER A 89 19.707 -9.234 0.614 1.00 0.00 H new ATOM 0 HA SER A 89 21.114 -11.704 -0.190 1.00 0.00 H new ATOM 0 HB2 SER A 89 19.979 -10.736 2.468 1.00 0.00 H new ATOM 0 HB3 SER A 89 20.617 -12.349 2.215 1.00 0.00 H new ATOM 0 HG SER A 89 22.212 -10.899 3.072 1.00 0.00 H new ATOM 1424 N ASN A 90 18.413 -11.678 -1.015 1.00 0.00 N ATOM 1425 CA ASN A 90 17.150 -12.306 -1.385 1.00 0.00 C ATOM 1426 C ASN A 90 17.390 -13.574 -2.199 1.00 0.00 C ATOM 1427 O ASN A 90 16.471 -14.360 -2.427 1.00 0.00 O ATOM 1428 CB ASN A 90 16.286 -11.329 -2.185 1.00 0.00 C ATOM 1429 CG ASN A 90 17.053 -10.671 -3.316 1.00 0.00 C ATOM 1430 OD1 ASN A 90 18.219 -10.985 -3.554 1.00 0.00 O ATOM 1431 ND2 ASN A 90 16.399 -9.754 -4.019 1.00 0.00 N ATOM 0 H ASN A 90 18.779 -11.025 -1.708 1.00 0.00 H new ATOM 0 HA ASN A 90 16.626 -12.578 -0.469 1.00 0.00 H new ATOM 0 HB2 ASN A 90 15.426 -11.859 -2.593 1.00 0.00 H new ATOM 0 HB3 ASN A 90 15.898 -10.560 -1.517 1.00 0.00 H new ATOM 0 HD21 ASN A 90 16.863 -9.278 -4.793 1.00 0.00 H new ATOM 0 HD22 ASN A 90 15.433 -9.526 -3.786 1.00 0.00 H new TER 1438 ASN A 90