USER MOD reduce.3.24.130724 H: found=0, std=0, add=932, rem=0, adj=43 USER MOD reduce.3.24.130724 removed 929 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 64 TYR OH : rot 180:sc= 0.0531 USER MOD Set 1.2: A 118 THR OG1 : rot 112:sc= 0.132 USER MOD Set 2.1: A 69 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 112 TYR OH : rot 180:sc= 0 USER MOD Set 3.1: A 78 SER OG : rot 180:sc= 0 USER MOD Set 3.2: A 107 LYS NZ :NH3+ -121:sc= 0.0711 (180deg=0) USER MOD Single : A 1 ASN : amide:sc= -0.102 X(o=-0.1,f=-0.1) USER MOD Single : A 1 ASN N :NH3+ -144:sc= 0.0095 (180deg=-0.382) USER MOD Single : A 5 ASN : amide:sc= -0.787 K(o=-0.79,f=-0.11) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 THR OG1 : rot -108:sc= 1.24 USER MOD Single : A 10 THR OG1 : rot -122:sc= 1.27 USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 15 THR OG1 : rot 140:sc= -0.964 USER MOD Single : A 18 HIS : no HD1:sc= -0.433 X(o=-0.43,f=-0.47) USER MOD Single : A 22 LYS NZ :NH3+ -143:sc= -1.17 (180deg=-2.9!) USER MOD Single : A 27 ASN : amide:sc= -0.205 K(o=-0.21,f=-1.6!) USER MOD Single : A 30 THR OG1 : rot -13:sc= -0.0136! USER MOD Single : A 34 SER OG : rot 25:sc= 1.27 USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 SER OG : rot 160:sc= -0.58 USER MOD Single : A 41 GLN : amide:sc= -0.633 K(o=-0.63,f=-1.3) USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 ASN : amide:sc= 0.0218 X(o=0.022,f=0) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 50 THR OG1 : rot 180:sc= 0.0743 USER MOD Single : A 51 GLN : amide:sc= -0.317 K(o=-0.32,f=-0.99) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot 180:sc= -0.324 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 ASN : amide:sc= -2.05 K(o=-2,f=-7.3!) USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 GLN : amide:sc= -3.26 K(o=-3.3,f=-6.1!) USER MOD Single : A 73 SER OG : rot 130:sc= -0.288 USER MOD Single : A 74 ASN : amide:sc= -0.618 K(o=-0.62,f=-3.7) USER MOD Single : A 76 SER OG : rot -37:sc= 0.668 USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 ASN : amide:sc= -0.226 K(o=-0.23,f=-2.1!) USER MOD Single : A 84 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 THR OG1 : rot 180:sc= 0.00854 USER MOD Single : A 87 TYR OH : rot 180:sc= 0 USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 89 THR OG1 : rot -124:sc= 0.0321 USER MOD Single : A 90 THR OG1 : rot 180:sc= -0.537 USER MOD Single : A 91 THR OG1 : rot 180:sc= 0.262 USER MOD Single : A 100 THR OG1 : rot 26:sc= 0.321! USER MOD Single : A 104 THR OG1 : rot -74:sc= 0.0461 USER MOD Single : A 105 ASN : amide:sc= -0.332 X(o=-0.33,f=0.035) USER MOD Single : A 114 THR OG1 : rot -53:sc= 1.05 USER MOD Single : A 115 THR OG1 : rot -80:sc= -0.965! USER MOD Single : A 120 TYR OH : rot 75:sc= 0.661 USER MOD Single : A 122 TYR OH : rot 110:sc= -0.155 USER MOD Single : A 123 SER OG : rot 76:sc= -1.36 USER MOD Single : A 130 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 1 -9.788 -10.776 -14.519 1.00 0.00 N ATOM 2 CA ASN A 1 -8.842 -10.902 -13.416 1.00 0.00 C ATOM 3 C ASN A 1 -9.572 -11.131 -12.096 1.00 0.00 C ATOM 4 O ASN A 1 -10.772 -10.873 -11.985 1.00 0.00 O ATOM 5 CB ASN A 1 -7.971 -9.647 -13.320 1.00 0.00 C ATOM 6 CG ASN A 1 -7.405 -9.232 -14.663 1.00 0.00 C ATOM 7 OD1 ASN A 1 -6.530 -9.899 -15.215 1.00 0.00 O ATOM 8 ND2 ASN A 1 -7.903 -8.122 -15.198 1.00 0.00 N ATOM 0 H1 ASN A 1 -9.387 -11.214 -15.372 1.00 0.00 H new ATOM 0 H2 ASN A 1 -10.677 -11.254 -14.270 1.00 0.00 H new ATOM 0 H3 ASN A 1 -9.976 -9.770 -14.702 1.00 0.00 H new ATOM 0 HA ASN A 1 -8.205 -11.765 -13.612 1.00 0.00 H new ATOM 0 HB2 ASN A 1 -8.562 -8.828 -12.909 1.00 0.00 H new ATOM 0 HB3 ASN A 1 -7.152 -9.829 -12.624 1.00 0.00 H new ATOM 0 HD21 ASN A 1 -7.560 -7.793 -16.101 1.00 0.00 H new ATOM 0 HD22 ASN A 1 -8.628 -7.599 -14.706 1.00 0.00 H new ATOM 15 N LEU A 2 -8.840 -11.614 -11.098 1.00 0.00 N ATOM 16 CA LEU A 2 -9.418 -11.878 -9.785 1.00 0.00 C ATOM 17 C LEU A 2 -8.361 -11.756 -8.692 1.00 0.00 C ATOM 18 O LEU A 2 -8.478 -10.923 -7.792 1.00 0.00 O ATOM 19 CB LEU A 2 -10.044 -13.273 -9.752 1.00 0.00 C ATOM 20 CG LEU A 2 -11.568 -13.323 -9.641 1.00 0.00 C ATOM 21 CD1 LEU A 2 -12.150 -14.250 -10.696 1.00 0.00 C ATOM 22 CD2 LEU A 2 -11.988 -13.766 -8.247 1.00 0.00 C ATOM 0 H LEU A 2 -7.846 -11.831 -11.173 1.00 0.00 H new ATOM 0 HA LEU A 2 -10.194 -11.135 -9.600 1.00 0.00 H new ATOM 0 HB2 LEU A 2 -9.748 -13.803 -10.657 1.00 0.00 H new ATOM 0 HB3 LEU A 2 -9.620 -13.819 -8.909 1.00 0.00 H new ATOM 0 HG LEU A 2 -11.958 -12.320 -9.814 1.00 0.00 H new ATOM 0 HD11 LEU A 2 -13.236 -14.273 -10.601 1.00 0.00 H new ATOM 0 HD12 LEU A 2 -11.880 -13.888 -11.688 1.00 0.00 H new ATOM 0 HD13 LEU A 2 -11.752 -15.255 -10.556 1.00 0.00 H new ATOM 0 HD21 LEU A 2 -13.076 -13.796 -8.187 1.00 0.00 H new ATOM 0 HD22 LEU A 2 -11.586 -14.759 -8.044 1.00 0.00 H new ATOM 0 HD23 LEU A 2 -11.603 -13.061 -7.510 1.00 0.00 H new ATOM 34 N ALA A 3 -7.329 -12.589 -8.777 1.00 0.00 N ATOM 35 CA ALA A 3 -6.250 -12.571 -7.798 1.00 0.00 C ATOM 36 C ALA A 3 -4.887 -12.601 -8.483 1.00 0.00 C ATOM 37 O ALA A 3 -4.747 -13.126 -9.589 1.00 0.00 O ATOM 38 CB ALA A 3 -6.387 -13.744 -6.840 1.00 0.00 C ATOM 0 H ALA A 3 -7.218 -13.285 -9.514 1.00 0.00 H new ATOM 0 HA ALA A 3 -6.322 -11.643 -7.231 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -5.574 -13.718 -6.114 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -7.342 -13.678 -6.318 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -6.343 -14.678 -7.400 1.00 0.00 H new ATOM 44 N LEU A 4 -3.884 -12.036 -7.819 1.00 0.00 N ATOM 45 CA LEU A 4 -2.532 -11.997 -8.365 1.00 0.00 C ATOM 46 C LEU A 4 -1.533 -11.530 -7.310 1.00 0.00 C ATOM 47 O LEU A 4 -1.884 -10.786 -6.396 1.00 0.00 O ATOM 48 CB LEU A 4 -2.478 -11.072 -9.581 1.00 0.00 C ATOM 49 CG LEU A 4 -1.224 -11.179 -10.450 1.00 0.00 C ATOM 50 CD1 LEU A 4 -1.527 -11.931 -11.736 1.00 0.00 C ATOM 51 CD2 LEU A 4 -0.669 -9.796 -10.758 1.00 0.00 C ATOM 0 H LEU A 4 -3.982 -11.599 -6.903 1.00 0.00 H new ATOM 0 HA LEU A 4 -2.261 -13.007 -8.674 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -3.347 -11.275 -10.206 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -2.569 -10.043 -9.234 1.00 0.00 H new ATOM 0 HG LEU A 4 -0.469 -11.737 -9.896 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -0.623 -11.997 -12.341 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -1.877 -12.935 -11.496 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -2.299 -11.401 -12.294 1.00 0.00 H new ATOM 0 HD21 LEU A 4 0.223 -9.892 -11.377 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -1.420 -9.213 -11.291 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -0.412 -9.291 -9.827 1.00 0.00 H new ATOM 63 N ASN A 5 -0.287 -11.971 -7.447 1.00 0.00 N ATOM 64 CA ASN A 5 0.764 -11.596 -6.508 1.00 0.00 C ATOM 65 C ASN A 5 1.095 -10.112 -6.624 1.00 0.00 C ATOM 66 O ASN A 5 1.791 -9.551 -5.779 1.00 0.00 O ATOM 67 CB ASN A 5 2.021 -12.432 -6.757 1.00 0.00 C ATOM 68 CG ASN A 5 1.698 -13.863 -7.138 1.00 0.00 C ATOM 69 OD1 ASN A 5 1.555 -14.730 -6.276 1.00 0.00 O ATOM 70 ND2 ASN A 5 1.582 -14.118 -8.436 1.00 0.00 N ATOM 0 H ASN A 5 0.020 -12.588 -8.199 1.00 0.00 H new ATOM 0 HA ASN A 5 0.400 -11.790 -5.499 1.00 0.00 H new ATOM 0 HB2 ASN A 5 2.609 -11.971 -7.551 1.00 0.00 H new ATOM 0 HB3 ASN A 5 2.640 -12.429 -5.860 1.00 0.00 H new ATOM 0 HD21 ASN A 5 1.366 -15.063 -8.753 1.00 0.00 H new ATOM 0 HD22 ASN A 5 1.709 -13.369 -9.116 1.00 0.00 H new ATOM 77 N LYS A 6 0.589 -9.480 -7.678 1.00 0.00 N ATOM 78 CA LYS A 6 0.827 -8.059 -7.906 1.00 0.00 C ATOM 79 C LYS A 6 -0.463 -7.260 -7.756 1.00 0.00 C ATOM 80 O LYS A 6 -0.436 -6.036 -7.643 1.00 0.00 O ATOM 81 CB LYS A 6 1.419 -7.838 -9.300 1.00 0.00 C ATOM 82 CG LYS A 6 2.505 -6.777 -9.339 1.00 0.00 C ATOM 83 CD LYS A 6 3.718 -7.192 -8.525 1.00 0.00 C ATOM 84 CE LYS A 6 4.094 -6.130 -7.503 1.00 0.00 C ATOM 85 NZ LYS A 6 5.524 -6.226 -7.103 1.00 0.00 N ATOM 0 H LYS A 6 0.011 -9.930 -8.388 1.00 0.00 H new ATOM 0 HA LYS A 6 1.538 -7.710 -7.157 1.00 0.00 H new ATOM 0 HB2 LYS A 6 1.830 -8.780 -9.665 1.00 0.00 H new ATOM 0 HB3 LYS A 6 0.620 -7.553 -9.984 1.00 0.00 H new ATOM 0 HG2 LYS A 6 2.803 -6.598 -10.372 1.00 0.00 H new ATOM 0 HG3 LYS A 6 2.111 -5.837 -8.953 1.00 0.00 H new ATOM 0 HD2 LYS A 6 3.510 -8.132 -8.014 1.00 0.00 H new ATOM 0 HD3 LYS A 6 4.561 -7.371 -9.192 1.00 0.00 H new ATOM 0 HE2 LYS A 6 3.899 -5.141 -7.918 1.00 0.00 H new ATOM 0 HE3 LYS A 6 3.462 -6.235 -6.621 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 5.740 -5.485 -6.406 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 5.705 -7.160 -6.683 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 6.128 -6.100 -7.940 1.00 0.00 H new ATOM 99 N ALA A 7 -1.592 -7.961 -7.757 1.00 0.00 N ATOM 100 CA ALA A 7 -2.891 -7.317 -7.617 1.00 0.00 C ATOM 101 C ALA A 7 -2.870 -6.273 -6.506 1.00 0.00 C ATOM 102 O ALA A 7 -2.074 -6.362 -5.570 1.00 0.00 O ATOM 103 CB ALA A 7 -3.970 -8.356 -7.348 1.00 0.00 C ATOM 0 H ALA A 7 -1.633 -8.976 -7.853 1.00 0.00 H new ATOM 0 HA ALA A 7 -3.118 -6.808 -8.553 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -4.935 -7.860 -7.246 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -4.011 -9.062 -8.178 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -3.738 -8.892 -6.428 1.00 0.00 H new ATOM 109 N THR A 8 -3.750 -5.282 -6.614 1.00 0.00 N ATOM 110 CA THR A 8 -3.832 -4.220 -5.619 1.00 0.00 C ATOM 111 C THR A 8 -5.273 -3.770 -5.411 1.00 0.00 C ATOM 112 O THR A 8 -6.119 -3.942 -6.288 1.00 0.00 O ATOM 113 CB THR A 8 -2.980 -3.003 -6.027 1.00 0.00 C ATOM 114 OG1 THR A 8 -3.809 -2.005 -6.633 1.00 0.00 O ATOM 115 CG2 THR A 8 -1.879 -3.412 -6.994 1.00 0.00 C ATOM 0 H THR A 8 -4.416 -5.193 -7.381 1.00 0.00 H new ATOM 0 HA THR A 8 -3.445 -4.630 -4.686 1.00 0.00 H new ATOM 0 HB THR A 8 -2.518 -2.594 -5.129 1.00 0.00 H new ATOM 0 HG1 THR A 8 -3.629 -1.970 -7.596 1.00 0.00 H new ATOM 0 HG21 THR A 8 -1.291 -2.536 -7.268 1.00 0.00 H new ATOM 0 HG22 THR A 8 -1.232 -4.149 -6.518 1.00 0.00 H new ATOM 0 HG23 THR A 8 -2.324 -3.845 -7.890 1.00 0.00 H new ATOM 123 N ALA A 9 -5.546 -3.194 -4.245 1.00 0.00 N ATOM 124 CA ALA A 9 -6.885 -2.717 -3.924 1.00 0.00 C ATOM 125 C ALA A 9 -6.829 -1.502 -3.004 1.00 0.00 C ATOM 126 O ALA A 9 -6.008 -1.440 -2.089 1.00 0.00 O ATOM 127 CB ALA A 9 -7.702 -3.830 -3.282 1.00 0.00 C ATOM 0 H ALA A 9 -4.857 -3.046 -3.507 1.00 0.00 H new ATOM 0 HA ALA A 9 -7.369 -2.415 -4.853 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -8.700 -3.460 -3.047 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -7.779 -4.669 -3.973 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -7.212 -4.159 -2.365 1.00 0.00 H new ATOM 133 N THR A 10 -7.708 -0.536 -3.254 1.00 0.00 N ATOM 134 CA THR A 10 -7.757 0.678 -2.450 1.00 0.00 C ATOM 135 C THR A 10 -9.187 1.184 -2.305 1.00 0.00 C ATOM 136 O THR A 10 -10.115 0.631 -2.896 1.00 0.00 O ATOM 137 CB THR A 10 -6.890 1.794 -3.064 1.00 0.00 C ATOM 138 OG1 THR A 10 -7.719 2.730 -3.762 1.00 0.00 O ATOM 139 CG2 THR A 10 -5.857 1.214 -4.019 1.00 0.00 C ATOM 0 H THR A 10 -8.395 -0.571 -4.007 1.00 0.00 H new ATOM 0 HA THR A 10 -7.364 0.421 -1.466 1.00 0.00 H new ATOM 0 HB THR A 10 -6.367 2.304 -2.255 1.00 0.00 H new ATOM 0 HG1 THR A 10 -7.437 2.782 -4.699 1.00 0.00 H new ATOM 0 HG21 THR A 10 -5.257 2.021 -4.440 1.00 0.00 H new ATOM 0 HG22 THR A 10 -5.209 0.524 -3.479 1.00 0.00 H new ATOM 0 HG23 THR A 10 -6.364 0.681 -4.824 1.00 0.00 H new ATOM 147 N SER A 11 -9.361 2.238 -1.514 1.00 0.00 N ATOM 148 CA SER A 11 -10.680 2.818 -1.289 1.00 0.00 C ATOM 149 C SER A 11 -11.041 3.795 -2.402 1.00 0.00 C ATOM 150 O SER A 11 -12.181 3.828 -2.869 1.00 0.00 O ATOM 151 CB SER A 11 -10.724 3.529 0.065 1.00 0.00 C ATOM 152 OG SER A 11 -11.719 4.537 0.079 1.00 0.00 O ATOM 0 H SER A 11 -8.604 2.708 -1.018 1.00 0.00 H new ATOM 0 HA SER A 11 -11.410 2.009 -1.290 1.00 0.00 H new ATOM 0 HB2 SER A 11 -10.925 2.804 0.854 1.00 0.00 H new ATOM 0 HB3 SER A 11 -9.751 3.971 0.279 1.00 0.00 H new ATOM 0 HG SER A 11 -11.728 4.975 0.955 1.00 0.00 H new ATOM 158 N SER A 12 -10.064 4.592 -2.822 1.00 0.00 N ATOM 159 CA SER A 12 -10.279 5.575 -3.878 1.00 0.00 C ATOM 160 C SER A 12 -9.916 4.995 -5.242 1.00 0.00 C ATOM 161 O SER A 12 -9.165 4.024 -5.336 1.00 0.00 O ATOM 162 CB SER A 12 -9.450 6.833 -3.609 1.00 0.00 C ATOM 163 OG SER A 12 -10.275 7.909 -3.201 1.00 0.00 O ATOM 0 H SER A 12 -9.115 4.577 -2.447 1.00 0.00 H new ATOM 0 HA SER A 12 -11.336 5.840 -3.885 1.00 0.00 H new ATOM 0 HB2 SER A 12 -8.709 6.626 -2.837 1.00 0.00 H new ATOM 0 HB3 SER A 12 -8.903 7.111 -4.510 1.00 0.00 H new ATOM 0 HG SER A 12 -9.722 8.700 -3.034 1.00 0.00 H new ATOM 169 N ILE A 13 -10.456 5.598 -6.295 1.00 0.00 N ATOM 170 CA ILE A 13 -10.189 5.142 -7.655 1.00 0.00 C ATOM 171 C ILE A 13 -10.908 6.015 -8.678 1.00 0.00 C ATOM 172 O ILE A 13 -12.106 6.268 -8.560 1.00 0.00 O ATOM 173 CB ILE A 13 -10.621 3.677 -7.853 1.00 0.00 C ATOM 174 CG1 ILE A 13 -9.674 2.971 -8.824 1.00 0.00 C ATOM 175 CG2 ILE A 13 -12.054 3.611 -8.359 1.00 0.00 C ATOM 176 CD1 ILE A 13 -9.550 3.667 -10.161 1.00 0.00 C ATOM 0 H ILE A 13 -11.080 6.402 -6.234 1.00 0.00 H new ATOM 0 HA ILE A 13 -9.112 5.218 -7.808 1.00 0.00 H new ATOM 0 HB ILE A 13 -10.573 3.166 -6.892 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -8.687 2.899 -8.368 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -10.026 1.952 -8.985 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -12.345 2.569 -8.494 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -12.718 4.082 -7.634 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -12.128 4.135 -9.312 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -8.863 3.111 -10.798 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -10.529 3.715 -10.638 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -9.169 4.677 -10.011 1.00 0.00 H new ATOM 188 N GLU A 14 -10.166 6.472 -9.682 1.00 0.00 N ATOM 189 CA GLU A 14 -10.734 7.316 -10.728 1.00 0.00 C ATOM 190 C GLU A 14 -11.669 6.514 -11.627 1.00 0.00 C ATOM 191 O GLU A 14 -12.844 6.850 -11.780 1.00 0.00 O ATOM 192 CB GLU A 14 -9.620 7.948 -11.565 1.00 0.00 C ATOM 193 CG GLU A 14 -9.060 9.227 -10.966 1.00 0.00 C ATOM 194 CD GLU A 14 -8.605 10.215 -12.023 1.00 0.00 C ATOM 195 OE1 GLU A 14 -8.065 9.771 -13.057 1.00 0.00 O ATOM 196 OE2 GLU A 14 -8.791 11.433 -11.814 1.00 0.00 O ATOM 0 H GLU A 14 -9.172 6.273 -9.793 1.00 0.00 H new ATOM 0 HA GLU A 14 -11.311 8.107 -10.248 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -8.811 7.227 -11.682 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -10.003 8.161 -12.563 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -9.820 9.694 -10.340 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -8.219 8.982 -10.317 1.00 0.00 H new ATOM 203 N THR A 15 -11.139 5.450 -12.223 1.00 0.00 N ATOM 204 CA THR A 15 -11.924 4.600 -13.109 1.00 0.00 C ATOM 205 C THR A 15 -13.079 3.943 -12.361 1.00 0.00 C ATOM 206 O THR A 15 -13.394 4.321 -11.233 1.00 0.00 O ATOM 207 CB THR A 15 -11.054 3.503 -13.751 1.00 0.00 C ATOM 208 OG1 THR A 15 -10.640 2.559 -12.756 1.00 0.00 O ATOM 209 CG2 THR A 15 -9.831 4.107 -14.424 1.00 0.00 C ATOM 0 H THR A 15 -10.169 5.157 -12.108 1.00 0.00 H new ATOM 0 HA THR A 15 -12.322 5.244 -13.893 1.00 0.00 H new ATOM 0 HB THR A 15 -11.651 2.994 -14.507 1.00 0.00 H new ATOM 0 HG1 THR A 15 -10.683 1.653 -13.127 1.00 0.00 H new ATOM 0 HG21 THR A 15 -9.232 3.313 -14.870 1.00 0.00 H new ATOM 0 HG22 THR A 15 -10.149 4.802 -15.201 1.00 0.00 H new ATOM 0 HG23 THR A 15 -9.234 4.639 -13.684 1.00 0.00 H new ATOM 217 N ALA A 16 -13.706 2.959 -12.997 1.00 0.00 N ATOM 218 CA ALA A 16 -14.825 2.248 -12.389 1.00 0.00 C ATOM 219 C ALA A 16 -14.335 1.096 -11.519 1.00 0.00 C ATOM 220 O ALA A 16 -14.824 -0.028 -11.627 1.00 0.00 O ATOM 221 CB ALA A 16 -15.770 1.735 -13.465 1.00 0.00 C ATOM 0 H ALA A 16 -13.459 2.636 -13.932 1.00 0.00 H new ATOM 0 HA ALA A 16 -15.365 2.947 -11.750 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -16.601 1.206 -12.998 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -16.154 2.576 -14.043 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -15.233 1.055 -14.127 1.00 0.00 H new ATOM 227 N GLY A 17 -13.365 1.383 -10.656 1.00 0.00 N ATOM 228 CA GLY A 17 -12.825 0.359 -9.780 1.00 0.00 C ATOM 229 C GLY A 17 -12.251 -0.816 -10.545 1.00 0.00 C ATOM 230 O GLY A 17 -12.958 -1.781 -10.836 1.00 0.00 O ATOM 0 H GLY A 17 -12.944 2.306 -10.548 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -12.047 0.795 -9.153 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -13.611 0.005 -9.113 1.00 0.00 H new ATOM 234 N HIS A 18 -10.966 -0.734 -10.875 1.00 0.00 N ATOM 235 CA HIS A 18 -10.297 -1.800 -11.613 1.00 0.00 C ATOM 236 C HIS A 18 -8.873 -1.395 -11.980 1.00 0.00 C ATOM 237 O HIS A 18 -8.001 -2.247 -12.152 1.00 0.00 O ATOM 238 CB HIS A 18 -11.084 -2.144 -12.879 1.00 0.00 C ATOM 239 CG HIS A 18 -11.534 -3.571 -12.934 1.00 0.00 C ATOM 240 ND1 HIS A 18 -12.846 -3.954 -12.749 1.00 0.00 N ATOM 241 CD2 HIS A 18 -10.840 -4.710 -13.159 1.00 0.00 C ATOM 242 CE1 HIS A 18 -12.938 -5.267 -12.854 1.00 0.00 C ATOM 243 NE2 HIS A 18 -11.735 -5.750 -13.104 1.00 0.00 N ATOM 0 H HIS A 18 -10.367 0.059 -10.643 1.00 0.00 H new ATOM 0 HA HIS A 18 -10.252 -2.680 -10.971 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -11.956 -1.494 -12.943 1.00 0.00 H new ATOM 0 HB3 HIS A 18 -10.465 -1.933 -13.751 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -9.779 -4.787 -13.347 1.00 0.00 H new ATOM 0 HE1 HIS A 18 -13.843 -5.847 -12.753 1.00 0.00 H new ATOM 0 HE2 HIS A 18 -11.507 -6.736 -13.235 1.00 0.00 H new ATOM 251 N GLU A 19 -8.645 -0.091 -12.098 1.00 0.00 N ATOM 252 CA GLU A 19 -7.326 0.425 -12.446 1.00 0.00 C ATOM 253 C GLU A 19 -6.273 -0.058 -11.452 1.00 0.00 C ATOM 254 O GLU A 19 -5.087 -0.128 -11.772 1.00 0.00 O ATOM 255 CB GLU A 19 -7.345 1.954 -12.481 1.00 0.00 C ATOM 256 CG GLU A 19 -6.569 2.545 -13.647 1.00 0.00 C ATOM 257 CD GLU A 19 -5.811 3.803 -13.265 1.00 0.00 C ATOM 258 OE1 GLU A 19 -6.323 4.570 -12.423 1.00 0.00 O ATOM 259 OE2 GLU A 19 -4.708 4.019 -13.808 1.00 0.00 O ATOM 0 H GLU A 19 -9.356 0.627 -11.958 1.00 0.00 H new ATOM 0 HA GLU A 19 -7.067 0.049 -13.436 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -8.379 2.295 -12.533 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -6.930 2.336 -11.548 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -5.866 1.802 -14.025 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -7.259 2.773 -14.459 1.00 0.00 H new ATOM 266 N GLY A 20 -6.716 -0.390 -10.243 1.00 0.00 N ATOM 267 CA GLY A 20 -5.801 -0.861 -9.220 1.00 0.00 C ATOM 268 C GLY A 20 -5.111 -2.153 -9.611 1.00 0.00 C ATOM 269 O GLY A 20 -3.976 -2.406 -9.206 1.00 0.00 O ATOM 0 H GLY A 20 -7.693 -0.341 -9.954 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -5.050 -0.095 -9.028 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -6.348 -1.012 -8.289 1.00 0.00 H new ATOM 273 N ASP A 21 -5.797 -2.974 -10.398 1.00 0.00 N ATOM 274 CA ASP A 21 -5.243 -4.248 -10.843 1.00 0.00 C ATOM 275 C ASP A 21 -4.231 -4.038 -11.965 1.00 0.00 C ATOM 276 O ASP A 21 -3.602 -4.987 -12.434 1.00 0.00 O ATOM 277 CB ASP A 21 -6.362 -5.177 -11.317 1.00 0.00 C ATOM 278 CG ASP A 21 -7.655 -4.962 -10.555 1.00 0.00 C ATOM 279 OD1 ASP A 21 -7.635 -5.066 -9.311 1.00 0.00 O ATOM 280 OD2 ASP A 21 -8.688 -4.690 -11.202 1.00 0.00 O ATOM 0 H ASP A 21 -6.738 -2.780 -10.741 1.00 0.00 H new ATOM 0 HA ASP A 21 -4.732 -4.709 -9.998 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -6.539 -5.015 -12.380 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -6.044 -6.213 -11.201 1.00 0.00 H new ATOM 285 N LYS A 22 -4.078 -2.789 -12.391 1.00 0.00 N ATOM 286 CA LYS A 22 -3.142 -2.453 -13.458 1.00 0.00 C ATOM 287 C LYS A 22 -1.707 -2.744 -13.033 1.00 0.00 C ATOM 288 O LYS A 22 -0.797 -2.764 -13.861 1.00 0.00 O ATOM 289 CB LYS A 22 -3.283 -0.978 -13.841 1.00 0.00 C ATOM 290 CG LYS A 22 -2.550 -0.033 -12.905 1.00 0.00 C ATOM 291 CD LYS A 22 -2.959 1.411 -13.138 1.00 0.00 C ATOM 292 CE LYS A 22 -2.672 1.848 -14.566 1.00 0.00 C ATOM 293 NZ LYS A 22 -3.838 1.615 -15.463 1.00 0.00 N ATOM 0 H LYS A 22 -4.590 -1.992 -12.014 1.00 0.00 H new ATOM 0 HA LYS A 22 -3.378 -3.071 -14.324 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -2.906 -0.837 -14.854 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -4.341 -0.714 -13.855 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -2.759 -0.309 -11.871 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -1.475 -0.136 -13.052 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -4.022 1.528 -12.927 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -2.424 2.059 -12.444 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -2.412 2.906 -14.576 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -1.807 1.303 -14.946 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -3.501 1.313 -16.399 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -4.445 0.874 -15.058 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -4.383 2.495 -15.559 1.00 0.00 H new ATOM 307 N ALA A 23 -1.512 -2.971 -11.737 1.00 0.00 N ATOM 308 CA ALA A 23 -0.188 -3.264 -11.205 1.00 0.00 C ATOM 309 C ALA A 23 0.267 -4.665 -11.604 1.00 0.00 C ATOM 310 O ALA A 23 1.411 -5.050 -11.360 1.00 0.00 O ATOM 311 CB ALA A 23 -0.184 -3.118 -9.690 1.00 0.00 C ATOM 0 H ALA A 23 -2.254 -2.957 -11.038 1.00 0.00 H new ATOM 0 HA ALA A 23 0.514 -2.547 -11.631 1.00 0.00 H new ATOM 0 HB1 ALA A 23 0.812 -3.340 -9.306 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -0.457 -2.097 -9.422 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -0.904 -3.812 -9.256 1.00 0.00 H new ATOM 317 N VAL A 24 -0.636 -5.423 -12.217 1.00 0.00 N ATOM 318 CA VAL A 24 -0.327 -6.780 -12.651 1.00 0.00 C ATOM 319 C VAL A 24 0.972 -6.821 -13.446 1.00 0.00 C ATOM 320 O VAL A 24 1.770 -7.748 -13.305 1.00 0.00 O ATOM 321 CB VAL A 24 -1.462 -7.366 -13.512 1.00 0.00 C ATOM 322 CG1 VAL A 24 -0.988 -8.613 -14.243 1.00 0.00 C ATOM 323 CG2 VAL A 24 -2.680 -7.671 -12.653 1.00 0.00 C ATOM 0 H VAL A 24 -1.588 -5.120 -12.424 1.00 0.00 H new ATOM 0 HA VAL A 24 -0.216 -7.383 -11.750 1.00 0.00 H new ATOM 0 HB VAL A 24 -1.749 -6.624 -14.257 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -1.803 -9.013 -14.846 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -0.149 -8.358 -14.890 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -0.672 -9.362 -13.517 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -3.472 -8.084 -13.278 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -2.411 -8.394 -11.883 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -3.032 -6.753 -12.181 1.00 0.00 H new ATOM 333 N ASP A 25 1.181 -5.808 -14.282 1.00 0.00 N ATOM 334 CA ASP A 25 2.386 -5.727 -15.099 1.00 0.00 C ATOM 335 C ASP A 25 3.636 -5.910 -14.245 1.00 0.00 C ATOM 336 O ASP A 25 4.653 -6.418 -14.715 1.00 0.00 O ATOM 337 CB ASP A 25 2.443 -4.384 -15.829 1.00 0.00 C ATOM 338 CG ASP A 25 2.771 -4.538 -17.301 1.00 0.00 C ATOM 339 OD1 ASP A 25 3.815 -5.148 -17.616 1.00 0.00 O ATOM 340 OD2 ASP A 25 1.984 -4.050 -18.138 1.00 0.00 O ATOM 0 H ASP A 25 0.531 -5.032 -14.411 1.00 0.00 H new ATOM 0 HA ASP A 25 2.351 -6.531 -15.835 1.00 0.00 H new ATOM 0 HB2 ASP A 25 1.484 -3.876 -15.725 1.00 0.00 H new ATOM 0 HB3 ASP A 25 3.193 -3.749 -15.357 1.00 0.00 H new ATOM 345 N GLY A 26 3.552 -5.491 -12.985 1.00 0.00 N ATOM 346 CA GLY A 26 4.683 -5.616 -12.085 1.00 0.00 C ATOM 347 C GLY A 26 5.880 -4.804 -12.542 1.00 0.00 C ATOM 348 O GLY A 26 7.018 -5.108 -12.185 1.00 0.00 O ATOM 0 H GLY A 26 2.721 -5.068 -12.572 1.00 0.00 H new ATOM 0 HA2 GLY A 26 4.387 -5.292 -11.087 1.00 0.00 H new ATOM 0 HA3 GLY A 26 4.968 -6.665 -12.008 1.00 0.00 H new ATOM 352 N ASN A 27 5.623 -3.769 -13.335 1.00 0.00 N ATOM 353 CA ASN A 27 6.689 -2.913 -13.843 1.00 0.00 C ATOM 354 C ASN A 27 6.246 -1.453 -13.871 1.00 0.00 C ATOM 355 O ASN A 27 5.210 -1.097 -13.313 1.00 0.00 O ATOM 356 CB ASN A 27 7.104 -3.359 -15.247 1.00 0.00 C ATOM 357 CG ASN A 27 8.611 -3.424 -15.410 1.00 0.00 C ATOM 358 OD1 ASN A 27 9.358 -2.879 -14.597 1.00 0.00 O ATOM 359 ND2 ASN A 27 9.064 -4.093 -16.463 1.00 0.00 N ATOM 0 H ASN A 27 4.687 -3.503 -13.640 1.00 0.00 H new ATOM 0 HA ASN A 27 7.544 -3.002 -13.173 1.00 0.00 H new ATOM 0 HB2 ASN A 27 6.676 -4.339 -15.455 1.00 0.00 H new ATOM 0 HB3 ASN A 27 6.691 -2.668 -15.982 1.00 0.00 H new ATOM 0 HD21 ASN A 27 10.068 -4.171 -16.624 1.00 0.00 H new ATOM 0 HD22 ASN A 27 8.408 -4.529 -17.111 1.00 0.00 H new ATOM 366 N ALA A 28 7.039 -0.613 -14.528 1.00 0.00 N ATOM 367 CA ALA A 28 6.728 0.808 -14.632 1.00 0.00 C ATOM 368 C ALA A 28 5.544 1.043 -15.564 1.00 0.00 C ATOM 369 O ALA A 28 5.031 2.157 -15.662 1.00 0.00 O ATOM 370 CB ALA A 28 7.947 1.580 -15.118 1.00 0.00 C ATOM 0 H ALA A 28 7.901 -0.892 -14.996 1.00 0.00 H new ATOM 0 HA ALA A 28 6.454 1.169 -13.641 1.00 0.00 H new ATOM 0 HB1 ALA A 28 7.701 2.639 -15.191 1.00 0.00 H new ATOM 0 HB2 ALA A 28 8.768 1.446 -14.413 1.00 0.00 H new ATOM 0 HB3 ALA A 28 8.246 1.208 -16.098 1.00 0.00 H new ATOM 376 N ALA A 29 5.116 -0.013 -16.247 1.00 0.00 N ATOM 377 CA ALA A 29 3.991 0.080 -17.169 1.00 0.00 C ATOM 378 C ALA A 29 2.689 0.347 -16.423 1.00 0.00 C ATOM 379 O ALA A 29 1.670 0.681 -17.029 1.00 0.00 O ATOM 380 CB ALA A 29 3.878 -1.195 -17.993 1.00 0.00 C ATOM 0 H ALA A 29 5.531 -0.942 -16.179 1.00 0.00 H new ATOM 0 HA ALA A 29 4.172 0.919 -17.840 1.00 0.00 H new ATOM 0 HB1 ALA A 29 3.034 -1.112 -18.677 1.00 0.00 H new ATOM 0 HB2 ALA A 29 4.795 -1.342 -18.564 1.00 0.00 H new ATOM 0 HB3 ALA A 29 3.724 -2.045 -17.328 1.00 0.00 H new ATOM 386 N THR A 30 2.727 0.196 -15.102 1.00 0.00 N ATOM 387 CA THR A 30 1.550 0.418 -14.273 1.00 0.00 C ATOM 388 C THR A 30 1.646 1.745 -13.527 1.00 0.00 C ATOM 389 O THR A 30 2.673 2.055 -12.923 1.00 0.00 O ATOM 390 CB THR A 30 1.359 -0.719 -13.252 1.00 0.00 C ATOM 391 OG1 THR A 30 1.947 -0.355 -11.998 1.00 0.00 O ATOM 392 CG2 THR A 30 1.985 -2.010 -13.757 1.00 0.00 C ATOM 0 H THR A 30 3.561 -0.079 -14.584 1.00 0.00 H new ATOM 0 HA THR A 30 0.691 0.442 -14.943 1.00 0.00 H new ATOM 0 HB THR A 30 0.290 -0.881 -13.117 1.00 0.00 H new ATOM 0 HG1 THR A 30 2.520 0.431 -12.121 1.00 0.00 H new ATOM 0 HG21 THR A 30 1.838 -2.799 -13.019 1.00 0.00 H new ATOM 0 HG22 THR A 30 1.514 -2.299 -14.697 1.00 0.00 H new ATOM 0 HG23 THR A 30 3.052 -1.858 -13.918 1.00 0.00 H new ATOM 400 N ARG A 31 0.570 2.523 -13.572 1.00 0.00 N ATOM 401 CA ARG A 31 0.533 3.817 -12.901 1.00 0.00 C ATOM 402 C ARG A 31 -0.793 4.014 -12.174 1.00 0.00 C ATOM 403 O ARG A 31 -1.831 4.230 -12.802 1.00 0.00 O ATOM 404 CB ARG A 31 0.747 4.946 -13.910 1.00 0.00 C ATOM 405 CG ARG A 31 2.207 5.179 -14.263 1.00 0.00 C ATOM 406 CD ARG A 31 2.594 4.456 -15.543 1.00 0.00 C ATOM 407 NE ARG A 31 3.147 5.367 -16.541 1.00 0.00 N ATOM 408 CZ ARG A 31 3.316 5.044 -17.819 1.00 0.00 C ATOM 409 NH1 ARG A 31 2.976 3.838 -18.251 1.00 0.00 N ATOM 410 NH2 ARG A 31 3.826 5.928 -18.666 1.00 0.00 N ATOM 0 H ARG A 31 -0.288 2.280 -14.066 1.00 0.00 H new ATOM 0 HA ARG A 31 1.338 3.840 -12.166 1.00 0.00 H new ATOM 0 HB2 ARG A 31 0.194 4.717 -14.821 1.00 0.00 H new ATOM 0 HB3 ARG A 31 0.328 5.868 -13.506 1.00 0.00 H new ATOM 0 HG2 ARG A 31 2.388 6.248 -14.379 1.00 0.00 H new ATOM 0 HG3 ARG A 31 2.839 4.835 -13.444 1.00 0.00 H new ATOM 0 HD2 ARG A 31 3.326 3.681 -15.314 1.00 0.00 H new ATOM 0 HD3 ARG A 31 1.718 3.955 -15.955 1.00 0.00 H new ATOM 0 HE ARG A 31 3.419 6.303 -16.241 1.00 0.00 H new ATOM 0 HH11 ARG A 31 2.584 3.156 -17.602 1.00 0.00 H new ATOM 0 HH12 ARG A 31 3.107 3.592 -19.232 1.00 0.00 H new ATOM 0 HH21 ARG A 31 4.089 6.857 -18.337 1.00 0.00 H new ATOM 0 HH22 ARG A 31 3.955 5.679 -19.647 1.00 0.00 H new ATOM 424 N TRP A 32 -0.753 3.939 -10.849 1.00 0.00 N ATOM 425 CA TRP A 32 -1.952 4.110 -10.036 1.00 0.00 C ATOM 426 C TRP A 32 -2.196 5.583 -9.727 1.00 0.00 C ATOM 427 O TRP A 32 -1.286 6.296 -9.305 1.00 0.00 O ATOM 428 CB TRP A 32 -1.828 3.316 -8.735 1.00 0.00 C ATOM 429 CG TRP A 32 -2.821 3.730 -7.690 1.00 0.00 C ATOM 430 CD1 TRP A 32 -2.624 4.632 -6.684 1.00 0.00 C ATOM 431 CD2 TRP A 32 -4.164 3.254 -7.548 1.00 0.00 C ATOM 432 NE1 TRP A 32 -3.764 4.746 -5.926 1.00 0.00 N ATOM 433 CE2 TRP A 32 -4.723 3.912 -6.436 1.00 0.00 C ATOM 434 CE3 TRP A 32 -4.949 2.338 -8.254 1.00 0.00 C ATOM 435 CZ2 TRP A 32 -6.031 3.681 -6.014 1.00 0.00 C ATOM 436 CZ3 TRP A 32 -6.245 2.109 -7.835 1.00 0.00 C ATOM 437 CH2 TRP A 32 -6.776 2.778 -6.724 1.00 0.00 C ATOM 0 H TRP A 32 0.097 3.761 -10.314 1.00 0.00 H new ATOM 0 HA TRP A 32 -2.802 3.733 -10.604 1.00 0.00 H new ATOM 0 HB2 TRP A 32 -1.959 2.256 -8.951 1.00 0.00 H new ATOM 0 HB3 TRP A 32 -0.820 3.438 -8.338 1.00 0.00 H new ATOM 0 HD1 TRP A 32 -1.707 5.176 -6.510 1.00 0.00 H new ATOM 0 HE1 TRP A 32 -3.878 5.354 -5.115 1.00 0.00 H new ATOM 0 HE3 TRP A 32 -4.549 1.818 -9.112 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 -6.442 4.196 -5.158 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 -6.860 1.402 -8.373 1.00 0.00 H new ATOM 0 HH2 TRP A 32 -7.793 2.577 -6.422 1.00 0.00 H new ATOM 448 N ALA A 33 -3.428 6.032 -9.940 1.00 0.00 N ATOM 449 CA ALA A 33 -3.790 7.420 -9.682 1.00 0.00 C ATOM 450 C ALA A 33 -5.179 7.518 -9.057 1.00 0.00 C ATOM 451 O ALA A 33 -6.190 7.411 -9.751 1.00 0.00 O ATOM 452 CB ALA A 33 -3.730 8.230 -10.968 1.00 0.00 C ATOM 0 H ALA A 33 -4.192 5.455 -10.291 1.00 0.00 H new ATOM 0 HA ALA A 33 -3.071 7.831 -8.973 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -4.003 9.264 -10.759 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -2.718 8.196 -11.373 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -4.426 7.811 -11.695 1.00 0.00 H new ATOM 458 N SER A 34 -5.219 7.721 -7.744 1.00 0.00 N ATOM 459 CA SER A 34 -6.483 7.828 -7.027 1.00 0.00 C ATOM 460 C SER A 34 -7.214 9.114 -7.401 1.00 0.00 C ATOM 461 O SER A 34 -6.600 10.081 -7.851 1.00 0.00 O ATOM 462 CB SER A 34 -6.242 7.788 -5.516 1.00 0.00 C ATOM 463 OG SER A 34 -6.275 6.457 -5.029 1.00 0.00 O ATOM 0 H SER A 34 -4.391 7.815 -7.156 1.00 0.00 H new ATOM 0 HA SER A 34 -7.106 6.980 -7.312 1.00 0.00 H new ATOM 0 HB2 SER A 34 -5.276 8.239 -5.287 1.00 0.00 H new ATOM 0 HB3 SER A 34 -7.000 8.383 -5.008 1.00 0.00 H new ATOM 0 HG SER A 34 -6.046 5.838 -5.753 1.00 0.00 H new ATOM 469 N ALA A 35 -8.529 9.116 -7.213 1.00 0.00 N ATOM 470 CA ALA A 35 -9.344 10.283 -7.530 1.00 0.00 C ATOM 471 C ALA A 35 -8.878 11.507 -6.748 1.00 0.00 C ATOM 472 O ALA A 35 -7.848 11.470 -6.076 1.00 0.00 O ATOM 473 CB ALA A 35 -10.810 9.996 -7.240 1.00 0.00 C ATOM 0 H ALA A 35 -9.053 8.323 -6.843 1.00 0.00 H new ATOM 0 HA ALA A 35 -9.230 10.498 -8.592 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -11.407 10.875 -7.481 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -11.143 9.154 -7.847 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -10.931 9.753 -6.184 1.00 0.00 H new ATOM 479 N TYR A 36 -9.643 12.588 -6.841 1.00 0.00 N ATOM 480 CA TYR A 36 -9.306 13.824 -6.145 1.00 0.00 C ATOM 481 C TYR A 36 -9.240 13.601 -4.637 1.00 0.00 C ATOM 482 O TYR A 36 -9.265 12.464 -4.166 1.00 0.00 O ATOM 483 CB TYR A 36 -10.333 14.911 -6.467 1.00 0.00 C ATOM 484 CG TYR A 36 -9.733 16.142 -7.108 1.00 0.00 C ATOM 485 CD1 TYR A 36 -8.544 16.685 -6.636 1.00 0.00 C ATOM 486 CD2 TYR A 36 -10.352 16.759 -8.187 1.00 0.00 C ATOM 487 CE1 TYR A 36 -7.993 17.810 -7.220 1.00 0.00 C ATOM 488 CE2 TYR A 36 -9.808 17.883 -8.778 1.00 0.00 C ATOM 489 CZ TYR A 36 -8.628 18.404 -8.291 1.00 0.00 C ATOM 490 OH TYR A 36 -8.081 19.524 -8.874 1.00 0.00 O ATOM 0 H TYR A 36 -10.501 12.634 -7.391 1.00 0.00 H new ATOM 0 HA TYR A 36 -8.324 14.148 -6.489 1.00 0.00 H new ATOM 0 HB2 TYR A 36 -11.090 14.497 -7.133 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -10.842 15.202 -5.548 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -8.043 16.221 -5.800 1.00 0.00 H new ATOM 0 HD2 TYR A 36 -11.276 16.353 -8.571 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -7.070 18.222 -6.840 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -10.304 18.350 -9.616 1.00 0.00 H new ATOM 0 HH TYR A 36 -8.650 19.818 -9.616 1.00 0.00 H new ATOM 500 N GLY A 37 -9.158 14.694 -3.887 1.00 0.00 N ATOM 501 CA GLY A 37 -9.091 14.597 -2.439 1.00 0.00 C ATOM 502 C GLY A 37 -10.146 13.669 -1.871 1.00 0.00 C ATOM 503 O GLY A 37 -11.253 13.579 -2.401 1.00 0.00 O ATOM 0 H GLY A 37 -9.137 15.645 -4.254 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -8.103 14.241 -2.147 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -9.213 15.590 -2.005 1.00 0.00 H new ATOM 507 N ALA A 38 -9.803 12.978 -0.790 1.00 0.00 N ATOM 508 CA ALA A 38 -10.730 12.053 -0.149 1.00 0.00 C ATOM 509 C ALA A 38 -10.061 11.320 1.011 1.00 0.00 C ATOM 510 O ALA A 38 -10.353 10.154 1.272 1.00 0.00 O ATOM 511 CB ALA A 38 -11.266 11.055 -1.165 1.00 0.00 C ATOM 0 H ALA A 38 -8.890 13.041 -0.339 1.00 0.00 H new ATOM 0 HA ALA A 38 -11.562 12.631 0.252 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -11.957 10.370 -0.673 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -11.788 11.589 -1.959 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -10.437 10.490 -1.592 1.00 0.00 H new ATOM 517 N SER A 39 -9.163 12.015 1.702 1.00 0.00 N ATOM 518 CA SER A 39 -8.449 11.429 2.831 1.00 0.00 C ATOM 519 C SER A 39 -9.395 11.181 4.002 1.00 0.00 C ATOM 520 O SER A 39 -10.492 11.736 4.075 1.00 0.00 O ATOM 521 CB SER A 39 -7.306 12.346 3.271 1.00 0.00 C ATOM 522 OG SER A 39 -7.365 12.604 4.662 1.00 0.00 O ATOM 0 H SER A 39 -8.913 12.983 1.500 1.00 0.00 H new ATOM 0 HA SER A 39 -8.036 10.473 2.510 1.00 0.00 H new ATOM 0 HB2 SER A 39 -6.350 11.884 3.024 1.00 0.00 H new ATOM 0 HB3 SER A 39 -7.358 13.286 2.721 1.00 0.00 H new ATOM 0 HG SER A 39 -6.487 12.906 4.976 1.00 0.00 H new ATOM 528 N PRO A 40 -8.963 10.326 4.940 1.00 0.00 N ATOM 529 CA PRO A 40 -7.660 9.658 4.863 1.00 0.00 C ATOM 530 C PRO A 40 -7.608 8.617 3.750 1.00 0.00 C ATOM 531 O PRO A 40 -8.618 7.997 3.420 1.00 0.00 O ATOM 532 CB PRO A 40 -7.524 8.986 6.231 1.00 0.00 C ATOM 533 CG PRO A 40 -8.926 8.786 6.696 1.00 0.00 C ATOM 534 CD PRO A 40 -9.713 9.944 6.149 1.00 0.00 C ATOM 0 HA PRO A 40 -6.856 10.358 4.636 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -6.993 8.037 6.155 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -6.962 9.611 6.925 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -9.325 7.838 6.335 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -8.976 8.760 7.785 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -10.738 9.657 5.912 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -9.769 10.765 6.864 1.00 0.00 H new ATOM 542 N GLN A 41 -6.423 8.430 3.178 1.00 0.00 N ATOM 543 CA GLN A 41 -6.240 7.462 2.101 1.00 0.00 C ATOM 544 C GLN A 41 -5.496 6.229 2.599 1.00 0.00 C ATOM 545 O GLN A 41 -4.918 6.237 3.686 1.00 0.00 O ATOM 546 CB GLN A 41 -5.476 8.099 0.939 1.00 0.00 C ATOM 547 CG GLN A 41 -6.379 8.695 -0.129 1.00 0.00 C ATOM 548 CD GLN A 41 -6.042 10.141 -0.438 1.00 0.00 C ATOM 549 OE1 GLN A 41 -4.879 10.489 -0.642 1.00 0.00 O ATOM 550 NE2 GLN A 41 -7.061 10.991 -0.474 1.00 0.00 N ATOM 0 H GLN A 41 -5.576 8.934 3.441 1.00 0.00 H new ATOM 0 HA GLN A 41 -7.225 7.153 1.752 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -4.824 8.880 1.329 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -4.834 7.347 0.481 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -6.296 8.104 -1.041 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -7.416 8.630 0.200 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -8.009 10.658 -0.299 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -6.896 11.977 -0.677 1.00 0.00 H new ATOM 559 N TRP A 42 -5.514 5.169 1.797 1.00 0.00 N ATOM 560 CA TRP A 42 -4.841 3.926 2.158 1.00 0.00 C ATOM 561 C TRP A 42 -4.922 2.915 1.021 1.00 0.00 C ATOM 562 O TRP A 42 -5.832 2.968 0.194 1.00 0.00 O ATOM 563 CB TRP A 42 -5.458 3.337 3.427 1.00 0.00 C ATOM 564 CG TRP A 42 -6.886 2.915 3.252 1.00 0.00 C ATOM 565 CD1 TRP A 42 -7.913 3.677 2.772 1.00 0.00 C ATOM 566 CD2 TRP A 42 -7.443 1.632 3.556 1.00 0.00 C ATOM 567 NE1 TRP A 42 -9.076 2.945 2.760 1.00 0.00 N ATOM 568 CE2 TRP A 42 -8.814 1.687 3.236 1.00 0.00 C ATOM 569 CE3 TRP A 42 -6.919 0.442 4.066 1.00 0.00 C ATOM 570 CZ2 TRP A 42 -9.664 0.597 3.410 1.00 0.00 C ATOM 571 CZ3 TRP A 42 -7.763 -0.639 4.239 1.00 0.00 C ATOM 572 CH2 TRP A 42 -9.123 -0.555 3.912 1.00 0.00 C ATOM 0 H TRP A 42 -5.987 5.146 0.894 1.00 0.00 H new ATOM 0 HA TRP A 42 -3.791 4.151 2.345 1.00 0.00 H new ATOM 0 HB2 TRP A 42 -4.868 2.477 3.744 1.00 0.00 H new ATOM 0 HB3 TRP A 42 -5.400 4.075 4.227 1.00 0.00 H new ATOM 0 HD1 TRP A 42 -7.824 4.704 2.449 1.00 0.00 H new ATOM 0 HE1 TRP A 42 -9.986 3.283 2.448 1.00 0.00 H new ATOM 0 HE3 TRP A 42 -5.872 0.368 4.321 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 -10.712 0.659 3.158 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 -7.368 -1.564 4.633 1.00 0.00 H new ATOM 0 HH2 TRP A 42 -9.757 -1.417 4.059 1.00 0.00 H new ATOM 583 N ILE A 43 -3.964 1.993 0.985 1.00 0.00 N ATOM 584 CA ILE A 43 -3.929 0.969 -0.050 1.00 0.00 C ATOM 585 C ILE A 43 -3.395 -0.350 0.499 1.00 0.00 C ATOM 586 O ILE A 43 -2.470 -0.368 1.310 1.00 0.00 O ATOM 587 CB ILE A 43 -3.059 1.404 -1.244 1.00 0.00 C ATOM 588 CG1 ILE A 43 -3.010 0.297 -2.298 1.00 0.00 C ATOM 589 CG2 ILE A 43 -1.655 1.758 -0.775 1.00 0.00 C ATOM 590 CD1 ILE A 43 -2.745 0.806 -3.698 1.00 0.00 C ATOM 0 H ILE A 43 -3.203 1.936 1.661 1.00 0.00 H new ATOM 0 HA ILE A 43 -4.955 0.830 -0.390 1.00 0.00 H new ATOM 0 HB ILE A 43 -3.505 2.290 -1.695 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -2.233 -0.417 -2.027 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -3.957 -0.243 -2.290 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -1.052 2.063 -1.630 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -1.707 2.576 -0.057 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -1.199 0.888 -0.302 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -2.724 -0.034 -4.393 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -3.535 1.498 -3.989 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -1.785 1.321 -3.722 1.00 0.00 H new ATOM 602 N TYR A 44 -3.985 -1.453 0.050 1.00 0.00 N ATOM 603 CA TYR A 44 -3.569 -2.778 0.497 1.00 0.00 C ATOM 604 C TYR A 44 -3.124 -3.635 -0.683 1.00 0.00 C ATOM 605 O TYR A 44 -3.609 -3.472 -1.802 1.00 0.00 O ATOM 606 CB TYR A 44 -4.713 -3.469 1.242 1.00 0.00 C ATOM 607 CG TYR A 44 -6.080 -2.922 0.896 1.00 0.00 C ATOM 608 CD1 TYR A 44 -6.522 -1.716 1.424 1.00 0.00 C ATOM 609 CD2 TYR A 44 -6.928 -3.613 0.039 1.00 0.00 C ATOM 610 CE1 TYR A 44 -7.769 -1.214 1.110 1.00 0.00 C ATOM 611 CE2 TYR A 44 -8.177 -3.118 -0.281 1.00 0.00 C ATOM 612 CZ TYR A 44 -8.594 -1.919 0.257 1.00 0.00 C ATOM 613 OH TYR A 44 -9.837 -1.421 -0.059 1.00 0.00 O ATOM 0 H TYR A 44 -4.752 -1.456 -0.622 1.00 0.00 H new ATOM 0 HA TYR A 44 -2.723 -2.658 1.174 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -4.690 -4.535 1.017 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -4.551 -3.366 2.315 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -5.879 -1.161 2.092 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -6.605 -4.553 -0.384 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -8.097 -0.275 1.530 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -8.824 -3.667 -0.949 1.00 0.00 H new ATOM 0 HH TYR A 44 -10.290 -2.037 -0.671 1.00 0.00 H new ATOM 623 N ILE A 45 -2.196 -4.551 -0.422 1.00 0.00 N ATOM 624 CA ILE A 45 -1.685 -5.436 -1.462 1.00 0.00 C ATOM 625 C ILE A 45 -1.694 -6.889 -0.999 1.00 0.00 C ATOM 626 O ILE A 45 -1.212 -7.207 0.087 1.00 0.00 O ATOM 627 CB ILE A 45 -0.254 -5.050 -1.877 1.00 0.00 C ATOM 628 CG1 ILE A 45 -0.268 -3.757 -2.697 1.00 0.00 C ATOM 629 CG2 ILE A 45 0.391 -6.178 -2.668 1.00 0.00 C ATOM 630 CD1 ILE A 45 -0.524 -3.980 -4.171 1.00 0.00 C ATOM 0 H ILE A 45 -1.784 -4.699 0.499 1.00 0.00 H new ATOM 0 HA ILE A 45 -2.345 -5.327 -2.322 1.00 0.00 H new ATOM 0 HB ILE A 45 0.336 -4.881 -0.976 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -1.035 -3.092 -2.300 1.00 0.00 H new ATOM 0 HG13 ILE A 45 0.688 -3.249 -2.575 1.00 0.00 H new ATOM 0 HG21 ILE A 45 1.402 -5.890 -2.954 1.00 0.00 H new ATOM 0 HG22 ILE A 45 0.430 -7.077 -2.053 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -0.197 -6.376 -3.564 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -0.520 -3.022 -4.690 1.00 0.00 H new ATOM 0 HD12 ILE A 45 0.257 -4.619 -4.583 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -1.493 -4.460 -4.303 1.00 0.00 H new ATOM 642 N ASN A 46 -2.242 -7.767 -1.832 1.00 0.00 N ATOM 643 CA ASN A 46 -2.312 -9.187 -1.509 1.00 0.00 C ATOM 644 C ASN A 46 -1.211 -9.963 -2.225 1.00 0.00 C ATOM 645 O ASN A 46 -1.185 -10.031 -3.455 1.00 0.00 O ATOM 646 CB ASN A 46 -3.681 -9.752 -1.892 1.00 0.00 C ATOM 647 CG ASN A 46 -4.767 -8.693 -1.880 1.00 0.00 C ATOM 648 OD1 ASN A 46 -5.309 -8.332 -2.925 1.00 0.00 O ATOM 649 ND2 ASN A 46 -5.090 -8.191 -0.694 1.00 0.00 N ATOM 0 H ASN A 46 -2.644 -7.520 -2.736 1.00 0.00 H new ATOM 0 HA ASN A 46 -2.169 -9.297 -0.434 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -3.622 -10.197 -2.885 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -3.948 -10.551 -1.200 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -5.814 -7.476 -0.623 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -4.614 -8.520 0.146 1.00 0.00 H new ATOM 656 N LEU A 47 -0.305 -10.546 -1.450 1.00 0.00 N ATOM 657 CA LEU A 47 0.800 -11.318 -2.010 1.00 0.00 C ATOM 658 C LEU A 47 0.335 -12.711 -2.421 1.00 0.00 C ATOM 659 O LEU A 47 0.310 -13.043 -3.606 1.00 0.00 O ATOM 660 CB LEU A 47 1.938 -11.428 -0.994 1.00 0.00 C ATOM 661 CG LEU A 47 3.327 -11.706 -1.570 1.00 0.00 C ATOM 662 CD1 LEU A 47 3.375 -13.086 -2.206 1.00 0.00 C ATOM 663 CD2 LEU A 47 3.708 -10.636 -2.584 1.00 0.00 C ATOM 0 H LEU A 47 -0.313 -10.500 -0.431 1.00 0.00 H new ATOM 0 HA LEU A 47 1.162 -10.798 -2.897 1.00 0.00 H new ATOM 0 HB2 LEU A 47 1.982 -10.499 -0.425 1.00 0.00 H new ATOM 0 HB3 LEU A 47 1.693 -12.222 -0.289 1.00 0.00 H new ATOM 0 HG LEU A 47 4.049 -11.679 -0.754 1.00 0.00 H new ATOM 0 HD11 LEU A 47 4.371 -13.266 -2.610 1.00 0.00 H new ATOM 0 HD12 LEU A 47 3.147 -13.841 -1.454 1.00 0.00 H new ATOM 0 HD13 LEU A 47 2.641 -13.142 -3.010 1.00 0.00 H new ATOM 0 HD21 LEU A 47 4.699 -10.850 -2.984 1.00 0.00 H new ATOM 0 HD22 LEU A 47 2.982 -10.631 -3.397 1.00 0.00 H new ATOM 0 HD23 LEU A 47 3.715 -9.660 -2.098 1.00 0.00 H new ATOM 675 N GLY A 48 -0.034 -13.524 -1.436 1.00 0.00 N ATOM 676 CA GLY A 48 -0.495 -14.870 -1.717 1.00 0.00 C ATOM 677 C GLY A 48 -0.128 -15.849 -0.618 1.00 0.00 C ATOM 678 O GLY A 48 0.918 -16.495 -0.678 1.00 0.00 O ATOM 0 H GLY A 48 -0.022 -13.274 -0.447 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -1.577 -14.861 -1.845 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -0.065 -15.209 -2.660 1.00 0.00 H new ATOM 682 N SER A 49 -0.991 -15.958 0.386 1.00 0.00 N ATOM 683 CA SER A 49 -0.749 -16.861 1.507 1.00 0.00 C ATOM 684 C SER A 49 0.475 -16.423 2.304 1.00 0.00 C ATOM 685 O SER A 49 1.010 -15.333 2.096 1.00 0.00 O ATOM 686 CB SER A 49 -0.558 -18.293 1.002 1.00 0.00 C ATOM 687 OG SER A 49 -1.562 -18.642 0.064 1.00 0.00 O ATOM 0 H SER A 49 -1.864 -15.433 0.447 1.00 0.00 H new ATOM 0 HA SER A 49 -1.618 -16.827 2.164 1.00 0.00 H new ATOM 0 HB2 SER A 49 0.425 -18.391 0.541 1.00 0.00 H new ATOM 0 HB3 SER A 49 -0.586 -18.985 1.843 1.00 0.00 H new ATOM 0 HG SER A 49 -1.416 -19.561 -0.244 1.00 0.00 H new ATOM 693 N THR A 50 0.915 -17.280 3.220 1.00 0.00 N ATOM 694 CA THR A 50 2.076 -16.984 4.050 1.00 0.00 C ATOM 695 C THR A 50 3.316 -16.747 3.197 1.00 0.00 C ATOM 696 O THR A 50 3.712 -17.608 2.411 1.00 0.00 O ATOM 697 CB THR A 50 2.360 -18.123 5.046 1.00 0.00 C ATOM 698 OG1 THR A 50 1.856 -19.360 4.531 1.00 0.00 O ATOM 699 CG2 THR A 50 1.723 -17.833 6.397 1.00 0.00 C ATOM 0 H THR A 50 0.484 -18.186 3.406 1.00 0.00 H new ATOM 0 HA THR A 50 1.843 -16.076 4.606 1.00 0.00 H new ATOM 0 HB THR A 50 3.439 -18.198 5.180 1.00 0.00 H new ATOM 0 HG1 THR A 50 2.042 -20.080 5.169 1.00 0.00 H new ATOM 0 HG21 THR A 50 1.937 -18.652 7.084 1.00 0.00 H new ATOM 0 HG22 THR A 50 2.130 -16.906 6.800 1.00 0.00 H new ATOM 0 HG23 THR A 50 0.644 -17.733 6.277 1.00 0.00 H new ATOM 707 N GLN A 51 3.927 -15.578 3.358 1.00 0.00 N ATOM 708 CA GLN A 51 5.123 -15.231 2.601 1.00 0.00 C ATOM 709 C GLN A 51 6.103 -14.443 3.465 1.00 0.00 C ATOM 710 O GLN A 51 5.698 -13.637 4.302 1.00 0.00 O ATOM 711 CB GLN A 51 4.750 -14.418 1.361 1.00 0.00 C ATOM 712 CG GLN A 51 5.203 -15.055 0.057 1.00 0.00 C ATOM 713 CD GLN A 51 6.642 -15.530 0.109 1.00 0.00 C ATOM 714 OE1 GLN A 51 7.568 -14.728 0.236 1.00 0.00 O ATOM 715 NE2 GLN A 51 6.836 -16.840 0.009 1.00 0.00 N ATOM 0 H GLN A 51 3.613 -14.855 4.006 1.00 0.00 H new ATOM 0 HA GLN A 51 5.606 -16.157 2.287 1.00 0.00 H new ATOM 0 HB2 GLN A 51 3.668 -14.286 1.335 1.00 0.00 H new ATOM 0 HB3 GLN A 51 5.190 -13.424 1.442 1.00 0.00 H new ATOM 0 HG2 GLN A 51 4.554 -15.899 -0.175 1.00 0.00 H new ATOM 0 HG3 GLN A 51 5.091 -14.334 -0.753 1.00 0.00 H new ATOM 0 HE21 GLN A 51 6.038 -17.467 -0.095 1.00 0.00 H new ATOM 0 HE22 GLN A 51 7.783 -17.219 0.036 1.00 0.00 H new ATOM 724 N SER A 52 7.393 -14.682 3.254 1.00 0.00 N ATOM 725 CA SER A 52 8.432 -13.997 4.016 1.00 0.00 C ATOM 726 C SER A 52 8.679 -12.597 3.462 1.00 0.00 C ATOM 727 O SER A 52 8.846 -12.415 2.257 1.00 0.00 O ATOM 728 CB SER A 52 9.731 -14.805 3.988 1.00 0.00 C ATOM 729 OG SER A 52 10.496 -14.580 5.159 1.00 0.00 O ATOM 0 H SER A 52 7.744 -15.344 2.562 1.00 0.00 H new ATOM 0 HA SER A 52 8.091 -13.906 5.047 1.00 0.00 H new ATOM 0 HB2 SER A 52 9.501 -15.867 3.898 1.00 0.00 H new ATOM 0 HB3 SER A 52 10.315 -14.530 3.110 1.00 0.00 H new ATOM 0 HG SER A 52 11.320 -15.109 5.118 1.00 0.00 H new ATOM 735 N ILE A 53 8.699 -11.611 4.353 1.00 0.00 N ATOM 736 CA ILE A 53 8.925 -10.227 3.954 1.00 0.00 C ATOM 737 C ILE A 53 9.986 -9.569 4.830 1.00 0.00 C ATOM 738 O ILE A 53 10.153 -9.928 5.995 1.00 0.00 O ATOM 739 CB ILE A 53 7.628 -9.400 4.030 1.00 0.00 C ATOM 740 CG1 ILE A 53 6.407 -10.312 3.896 1.00 0.00 C ATOM 741 CG2 ILE A 53 7.619 -8.330 2.948 1.00 0.00 C ATOM 742 CD1 ILE A 53 5.093 -9.562 3.864 1.00 0.00 C ATOM 0 H ILE A 53 8.562 -11.745 5.355 1.00 0.00 H new ATOM 0 HA ILE A 53 9.272 -10.249 2.921 1.00 0.00 H new ATOM 0 HB ILE A 53 7.584 -8.907 5.001 1.00 0.00 H new ATOM 0 HG12 ILE A 53 6.502 -10.901 2.984 1.00 0.00 H new ATOM 0 HG13 ILE A 53 6.395 -11.014 4.729 1.00 0.00 H new ATOM 0 HG21 ILE A 53 6.696 -7.753 3.014 1.00 0.00 H new ATOM 0 HG22 ILE A 53 8.472 -7.666 3.086 1.00 0.00 H new ATOM 0 HG23 ILE A 53 7.682 -8.803 1.968 1.00 0.00 H new ATOM 0 HD11 ILE A 53 4.271 -10.272 3.768 1.00 0.00 H new ATOM 0 HD12 ILE A 53 4.976 -8.994 4.787 1.00 0.00 H new ATOM 0 HD13 ILE A 53 5.084 -8.879 3.014 1.00 0.00 H new ATOM 754 N SER A 54 10.700 -8.604 4.261 1.00 0.00 N ATOM 755 CA SER A 54 11.747 -7.897 4.989 1.00 0.00 C ATOM 756 C SER A 54 11.550 -6.386 4.894 1.00 0.00 C ATOM 757 O SER A 54 11.121 -5.744 5.853 1.00 0.00 O ATOM 758 CB SER A 54 13.124 -8.278 4.443 1.00 0.00 C ATOM 759 OG SER A 54 13.150 -8.206 3.027 1.00 0.00 O ATOM 0 H SER A 54 10.573 -8.293 3.298 1.00 0.00 H new ATOM 0 HA SER A 54 11.686 -8.189 6.037 1.00 0.00 H new ATOM 0 HB2 SER A 54 13.880 -7.612 4.858 1.00 0.00 H new ATOM 0 HB3 SER A 54 13.379 -9.288 4.764 1.00 0.00 H new ATOM 0 HG SER A 54 14.042 -8.453 2.703 1.00 0.00 H new ATOM 765 N ARG A 55 11.865 -5.827 3.730 1.00 0.00 N ATOM 766 CA ARG A 55 11.724 -4.393 3.509 1.00 0.00 C ATOM 767 C ARG A 55 10.823 -4.114 2.311 1.00 0.00 C ATOM 768 O ARG A 55 10.769 -4.900 1.364 1.00 0.00 O ATOM 769 CB ARG A 55 13.097 -3.752 3.289 1.00 0.00 C ATOM 770 CG ARG A 55 14.168 -4.266 4.237 1.00 0.00 C ATOM 771 CD ARG A 55 14.943 -5.423 3.628 1.00 0.00 C ATOM 772 NE ARG A 55 15.921 -5.977 4.560 1.00 0.00 N ATOM 773 CZ ARG A 55 17.058 -5.368 4.882 1.00 0.00 C ATOM 774 NH1 ARG A 55 17.356 -4.192 4.349 1.00 0.00 N ATOM 775 NH2 ARG A 55 17.897 -5.937 5.737 1.00 0.00 N ATOM 0 H ARG A 55 12.219 -6.345 2.926 1.00 0.00 H new ATOM 0 HA ARG A 55 11.265 -3.957 4.396 1.00 0.00 H new ATOM 0 HB2 ARG A 55 13.414 -3.936 2.262 1.00 0.00 H new ATOM 0 HB3 ARG A 55 13.007 -2.672 3.407 1.00 0.00 H new ATOM 0 HG2 ARG A 55 14.855 -3.457 4.484 1.00 0.00 H new ATOM 0 HG3 ARG A 55 13.705 -4.588 5.170 1.00 0.00 H new ATOM 0 HD2 ARG A 55 14.247 -6.206 3.325 1.00 0.00 H new ATOM 0 HD3 ARG A 55 15.453 -5.083 2.727 1.00 0.00 H new ATOM 0 HE ARG A 55 15.721 -6.881 4.988 1.00 0.00 H new ATOM 0 HH11 ARG A 55 16.713 -3.753 3.691 1.00 0.00 H new ATOM 0 HH12 ARG A 55 18.229 -3.726 4.597 1.00 0.00 H new ATOM 0 HH21 ARG A 55 17.670 -6.843 6.148 1.00 0.00 H new ATOM 0 HH22 ARG A 55 18.769 -5.469 5.984 1.00 0.00 H new ATOM 789 N VAL A 56 10.115 -2.989 2.358 1.00 0.00 N ATOM 790 CA VAL A 56 9.216 -2.606 1.277 1.00 0.00 C ATOM 791 C VAL A 56 9.345 -1.121 0.955 1.00 0.00 C ATOM 792 O VAL A 56 9.322 -0.276 1.850 1.00 0.00 O ATOM 793 CB VAL A 56 7.750 -2.918 1.629 1.00 0.00 C ATOM 794 CG1 VAL A 56 6.878 -2.869 0.382 1.00 0.00 C ATOM 795 CG2 VAL A 56 7.643 -4.274 2.310 1.00 0.00 C ATOM 0 H VAL A 56 10.147 -2.328 3.134 1.00 0.00 H new ATOM 0 HA VAL A 56 9.504 -3.191 0.403 1.00 0.00 H new ATOM 0 HB VAL A 56 7.392 -2.158 2.324 1.00 0.00 H new ATOM 0 HG11 VAL A 56 5.846 -3.092 0.651 1.00 0.00 H new ATOM 0 HG12 VAL A 56 6.931 -1.874 -0.060 1.00 0.00 H new ATOM 0 HG13 VAL A 56 7.232 -3.606 -0.339 1.00 0.00 H new ATOM 0 HG21 VAL A 56 6.600 -4.478 2.552 1.00 0.00 H new ATOM 0 HG22 VAL A 56 8.019 -5.048 1.641 1.00 0.00 H new ATOM 0 HG23 VAL A 56 8.234 -4.269 3.226 1.00 0.00 H new ATOM 805 N LYS A 57 9.479 -0.809 -0.330 1.00 0.00 N ATOM 806 CA LYS A 57 9.610 0.575 -0.771 1.00 0.00 C ATOM 807 C LYS A 57 8.393 1.003 -1.586 1.00 0.00 C ATOM 808 O LYS A 57 8.055 0.377 -2.592 1.00 0.00 O ATOM 809 CB LYS A 57 10.881 0.747 -1.605 1.00 0.00 C ATOM 810 CG LYS A 57 12.109 0.107 -0.980 1.00 0.00 C ATOM 811 CD LYS A 57 13.374 0.878 -1.322 1.00 0.00 C ATOM 812 CE LYS A 57 14.617 0.160 -0.818 1.00 0.00 C ATOM 813 NZ LYS A 57 15.756 1.097 -0.618 1.00 0.00 N ATOM 0 H LYS A 57 9.500 -1.496 -1.084 1.00 0.00 H new ATOM 0 HA LYS A 57 9.674 1.208 0.114 1.00 0.00 H new ATOM 0 HB2 LYS A 57 10.719 0.315 -2.592 1.00 0.00 H new ATOM 0 HB3 LYS A 57 11.070 1.811 -1.750 1.00 0.00 H new ATOM 0 HG2 LYS A 57 11.988 0.066 0.102 1.00 0.00 H new ATOM 0 HG3 LYS A 57 12.203 -0.921 -1.330 1.00 0.00 H new ATOM 0 HD2 LYS A 57 13.441 1.009 -2.402 1.00 0.00 H new ATOM 0 HD3 LYS A 57 13.324 1.874 -0.882 1.00 0.00 H new ATOM 0 HE2 LYS A 57 14.390 -0.342 0.123 1.00 0.00 H new ATOM 0 HE3 LYS A 57 14.904 -0.613 -1.531 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 16.584 0.569 -0.274 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 15.990 1.557 -1.521 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 15.492 1.820 0.081 1.00 0.00 H new ATOM 827 N LEU A 58 7.739 2.072 -1.147 1.00 0.00 N ATOM 828 CA LEU A 58 6.560 2.585 -1.836 1.00 0.00 C ATOM 829 C LEU A 58 6.616 4.104 -1.953 1.00 0.00 C ATOM 830 O LEU A 58 6.825 4.806 -0.964 1.00 0.00 O ATOM 831 CB LEU A 58 5.289 2.164 -1.096 1.00 0.00 C ATOM 832 CG LEU A 58 5.250 2.475 0.402 1.00 0.00 C ATOM 833 CD1 LEU A 58 4.109 3.427 0.720 1.00 0.00 C ATOM 834 CD2 LEU A 58 5.118 1.191 1.208 1.00 0.00 C ATOM 0 H LEU A 58 8.005 2.601 -0.316 1.00 0.00 H new ATOM 0 HA LEU A 58 6.544 2.163 -2.841 1.00 0.00 H new ATOM 0 HB2 LEU A 58 4.438 2.652 -1.570 1.00 0.00 H new ATOM 0 HB3 LEU A 58 5.155 1.090 -1.227 1.00 0.00 H new ATOM 0 HG LEU A 58 6.186 2.960 0.679 1.00 0.00 H new ATOM 0 HD11 LEU A 58 4.097 3.636 1.790 1.00 0.00 H new ATOM 0 HD12 LEU A 58 4.247 4.358 0.170 1.00 0.00 H new ATOM 0 HD13 LEU A 58 3.163 2.971 0.429 1.00 0.00 H new ATOM 0 HD21 LEU A 58 5.092 1.430 2.271 1.00 0.00 H new ATOM 0 HD22 LEU A 58 4.197 0.679 0.928 1.00 0.00 H new ATOM 0 HD23 LEU A 58 5.970 0.543 1.003 1.00 0.00 H new ATOM 846 N ASN A 59 6.425 4.606 -3.169 1.00 0.00 N ATOM 847 CA ASN A 59 6.452 6.044 -3.415 1.00 0.00 C ATOM 848 C ASN A 59 5.068 6.655 -3.217 1.00 0.00 C ATOM 849 O ASN A 59 4.051 6.014 -3.485 1.00 0.00 O ATOM 850 CB ASN A 59 6.952 6.331 -4.831 1.00 0.00 C ATOM 851 CG ASN A 59 7.098 7.815 -5.104 1.00 0.00 C ATOM 852 OD1 ASN A 59 7.254 8.615 -4.181 1.00 0.00 O ATOM 853 ND2 ASN A 59 7.050 8.191 -6.377 1.00 0.00 N ATOM 0 H ASN A 59 6.250 4.039 -3.999 1.00 0.00 H new ATOM 0 HA ASN A 59 7.136 6.498 -2.698 1.00 0.00 H new ATOM 0 HB2 ASN A 59 7.914 5.841 -4.980 1.00 0.00 H new ATOM 0 HB3 ASN A 59 6.259 5.898 -5.553 1.00 0.00 H new ATOM 0 HD21 ASN A 59 7.144 9.177 -6.621 1.00 0.00 H new ATOM 0 HD22 ASN A 59 6.919 7.494 -7.110 1.00 0.00 H new ATOM 860 N TRP A 60 5.038 7.898 -2.751 1.00 0.00 N ATOM 861 CA TRP A 60 3.779 8.596 -2.519 1.00 0.00 C ATOM 862 C TRP A 60 3.460 9.542 -3.672 1.00 0.00 C ATOM 863 O TRP A 60 2.403 10.172 -3.696 1.00 0.00 O ATOM 864 CB TRP A 60 3.839 9.377 -1.205 1.00 0.00 C ATOM 865 CG TRP A 60 2.570 9.303 -0.411 1.00 0.00 C ATOM 866 CD1 TRP A 60 1.514 10.166 -0.471 1.00 0.00 C ATOM 867 CD2 TRP A 60 2.225 8.312 0.563 1.00 0.00 C ATOM 868 NE1 TRP A 60 0.533 9.772 0.407 1.00 0.00 N ATOM 869 CE2 TRP A 60 0.945 8.636 1.053 1.00 0.00 C ATOM 870 CE3 TRP A 60 2.872 7.181 1.068 1.00 0.00 C ATOM 871 CZ2 TRP A 60 0.304 7.871 2.023 1.00 0.00 C ATOM 872 CZ3 TRP A 60 2.234 6.422 2.031 1.00 0.00 C ATOM 873 CH2 TRP A 60 0.960 6.770 2.499 1.00 0.00 C ATOM 0 H TRP A 60 5.870 8.443 -2.526 1.00 0.00 H new ATOM 0 HA TRP A 60 2.986 7.851 -2.455 1.00 0.00 H new ATOM 0 HB2 TRP A 60 4.660 8.993 -0.600 1.00 0.00 H new ATOM 0 HB3 TRP A 60 4.063 10.421 -1.421 1.00 0.00 H new ATOM 0 HD1 TRP A 60 1.458 11.032 -1.114 1.00 0.00 H new ATOM 0 HE1 TRP A 60 -0.357 10.248 0.554 1.00 0.00 H new ATOM 0 HE3 TRP A 60 3.854 6.905 0.712 1.00 0.00 H new ATOM 0 HZ2 TRP A 60 -0.677 8.138 2.387 1.00 0.00 H new ATOM 0 HZ3 TRP A 60 2.725 5.547 2.429 1.00 0.00 H new ATOM 0 HH2 TRP A 60 0.487 6.156 3.251 1.00 0.00 H new ATOM 884 N GLU A 61 4.382 9.637 -4.625 1.00 0.00 N ATOM 885 CA GLU A 61 4.197 10.507 -5.781 1.00 0.00 C ATOM 886 C GLU A 61 4.202 11.974 -5.364 1.00 0.00 C ATOM 887 O GLU A 61 4.568 12.309 -4.236 1.00 0.00 O ATOM 888 CB GLU A 61 2.886 10.172 -6.495 1.00 0.00 C ATOM 889 CG GLU A 61 3.012 10.126 -8.009 1.00 0.00 C ATOM 890 CD GLU A 61 3.669 8.851 -8.501 1.00 0.00 C ATOM 891 OE1 GLU A 61 3.482 7.800 -7.853 1.00 0.00 O ATOM 892 OE2 GLU A 61 4.371 8.904 -9.533 1.00 0.00 O ATOM 0 H GLU A 61 5.263 9.123 -4.620 1.00 0.00 H new ATOM 0 HA GLU A 61 5.028 10.340 -6.466 1.00 0.00 H new ATOM 0 HB2 GLU A 61 2.525 9.207 -6.139 1.00 0.00 H new ATOM 0 HB3 GLU A 61 2.135 10.913 -6.224 1.00 0.00 H new ATOM 0 HG2 GLU A 61 2.022 10.216 -8.455 1.00 0.00 H new ATOM 0 HG3 GLU A 61 3.593 10.984 -8.348 1.00 0.00 H new ATOM 899 N ASP A 62 3.795 12.846 -6.280 1.00 0.00 N ATOM 900 CA ASP A 62 3.751 14.278 -6.008 1.00 0.00 C ATOM 901 C ASP A 62 3.016 14.560 -4.701 1.00 0.00 C ATOM 902 O ASP A 62 3.511 15.291 -3.844 1.00 0.00 O ATOM 903 CB ASP A 62 3.071 15.017 -7.160 1.00 0.00 C ATOM 904 CG ASP A 62 3.960 16.083 -7.771 1.00 0.00 C ATOM 905 OD1 ASP A 62 4.911 15.718 -8.495 1.00 0.00 O ATOM 906 OD2 ASP A 62 3.707 17.279 -7.525 1.00 0.00 O ATOM 0 H ASP A 62 3.491 12.586 -7.218 1.00 0.00 H new ATOM 0 HA ASP A 62 4.776 14.637 -5.912 1.00 0.00 H new ATOM 0 HB2 ASP A 62 2.787 14.300 -7.930 1.00 0.00 H new ATOM 0 HB3 ASP A 62 2.152 15.478 -6.799 1.00 0.00 H new ATOM 911 N ALA A 63 1.830 13.977 -4.557 1.00 0.00 N ATOM 912 CA ALA A 63 1.027 14.165 -3.355 1.00 0.00 C ATOM 913 C ALA A 63 1.854 13.917 -2.098 1.00 0.00 C ATOM 914 O ALA A 63 2.516 12.887 -1.970 1.00 0.00 O ATOM 915 CB ALA A 63 -0.185 13.246 -3.382 1.00 0.00 C ATOM 0 H ALA A 63 1.404 13.371 -5.258 1.00 0.00 H new ATOM 0 HA ALA A 63 0.685 15.200 -3.334 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -0.776 13.397 -2.479 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -0.795 13.473 -4.257 1.00 0.00 H new ATOM 0 HB3 ALA A 63 0.146 12.209 -3.430 1.00 0.00 H new ATOM 921 N TYR A 64 1.813 14.870 -1.173 1.00 0.00 N ATOM 922 CA TYR A 64 2.561 14.756 0.074 1.00 0.00 C ATOM 923 C TYR A 64 1.684 14.191 1.187 1.00 0.00 C ATOM 924 O TYR A 64 0.460 14.146 1.065 1.00 0.00 O ATOM 925 CB TYR A 64 3.113 16.122 0.487 1.00 0.00 C ATOM 926 CG TYR A 64 2.077 17.223 0.473 1.00 0.00 C ATOM 927 CD1 TYR A 64 1.005 17.208 1.356 1.00 0.00 C ATOM 928 CD2 TYR A 64 2.171 18.280 -0.424 1.00 0.00 C ATOM 929 CE1 TYR A 64 0.056 18.211 1.346 1.00 0.00 C ATOM 930 CE2 TYR A 64 1.228 19.290 -0.441 1.00 0.00 C ATOM 931 CZ TYR A 64 0.172 19.250 0.446 1.00 0.00 C ATOM 932 OH TYR A 64 -0.771 20.252 0.434 1.00 0.00 O ATOM 0 H TYR A 64 1.270 15.729 -1.263 1.00 0.00 H new ATOM 0 HA TYR A 64 3.392 14.070 -0.091 1.00 0.00 H new ATOM 0 HB2 TYR A 64 3.536 16.046 1.489 1.00 0.00 H new ATOM 0 HB3 TYR A 64 3.928 16.393 -0.184 1.00 0.00 H new ATOM 0 HD1 TYR A 64 0.912 16.397 2.063 1.00 0.00 H new ATOM 0 HD2 TYR A 64 2.996 18.313 -1.120 1.00 0.00 H new ATOM 0 HE1 TYR A 64 -0.772 18.182 2.039 1.00 0.00 H new ATOM 0 HE2 TYR A 64 1.317 20.105 -1.144 1.00 0.00 H new ATOM 0 HH TYR A 64 -0.543 20.907 -0.258 1.00 0.00 H new ATOM 942 N ALA A 65 2.320 13.763 2.272 1.00 0.00 N ATOM 943 CA ALA A 65 1.598 13.204 3.409 1.00 0.00 C ATOM 944 C ALA A 65 2.306 13.525 4.721 1.00 0.00 C ATOM 945 O ALA A 65 3.526 13.689 4.756 1.00 0.00 O ATOM 946 CB ALA A 65 1.443 11.698 3.246 1.00 0.00 C ATOM 0 H ALA A 65 3.333 13.792 2.388 1.00 0.00 H new ATOM 0 HA ALA A 65 0.608 13.660 3.439 1.00 0.00 H new ATOM 0 HB1 ALA A 65 0.902 11.293 4.102 1.00 0.00 H new ATOM 0 HB2 ALA A 65 0.888 11.486 2.332 1.00 0.00 H new ATOM 0 HB3 ALA A 65 2.428 11.235 3.187 1.00 0.00 H new ATOM 952 N THR A 66 1.534 13.616 5.798 1.00 0.00 N ATOM 953 CA THR A 66 2.086 13.920 7.111 1.00 0.00 C ATOM 954 C THR A 66 2.767 12.698 7.719 1.00 0.00 C ATOM 955 O THR A 66 3.622 12.823 8.595 1.00 0.00 O ATOM 956 CB THR A 66 0.996 14.419 8.078 1.00 0.00 C ATOM 957 OG1 THR A 66 1.599 15.036 9.222 1.00 0.00 O ATOM 958 CG2 THR A 66 0.103 13.272 8.527 1.00 0.00 C ATOM 0 H THR A 66 0.523 13.483 5.787 1.00 0.00 H new ATOM 0 HA THR A 66 2.823 14.710 6.967 1.00 0.00 H new ATOM 0 HB THR A 66 0.384 15.151 7.551 1.00 0.00 H new ATOM 0 HG1 THR A 66 0.899 15.352 9.831 1.00 0.00 H new ATOM 0 HG21 THR A 66 -0.659 13.649 9.209 1.00 0.00 H new ATOM 0 HG22 THR A 66 -0.378 12.824 7.658 1.00 0.00 H new ATOM 0 HG23 THR A 66 0.705 12.520 9.036 1.00 0.00 H new ATOM 966 N ALA A 67 2.382 11.517 7.247 1.00 0.00 N ATOM 967 CA ALA A 67 2.957 10.272 7.741 1.00 0.00 C ATOM 968 C ALA A 67 2.305 9.065 7.077 1.00 0.00 C ATOM 969 O ALA A 67 1.285 9.191 6.399 1.00 0.00 O ATOM 970 CB ALA A 67 2.811 10.188 9.254 1.00 0.00 C ATOM 0 H ALA A 67 1.674 11.396 6.523 1.00 0.00 H new ATOM 0 HA ALA A 67 4.017 10.264 7.488 1.00 0.00 H new ATOM 0 HB1 ALA A 67 3.244 9.253 9.610 1.00 0.00 H new ATOM 0 HB2 ALA A 67 3.329 11.028 9.717 1.00 0.00 H new ATOM 0 HB3 ALA A 67 1.755 10.222 9.520 1.00 0.00 H new ATOM 976 N TYR A 68 2.900 7.894 7.276 1.00 0.00 N ATOM 977 CA TYR A 68 2.379 6.663 6.692 1.00 0.00 C ATOM 978 C TYR A 68 2.548 5.491 7.655 1.00 0.00 C ATOM 979 O TYR A 68 3.422 5.505 8.521 1.00 0.00 O ATOM 980 CB TYR A 68 3.088 6.359 5.372 1.00 0.00 C ATOM 981 CG TYR A 68 4.509 6.874 5.315 1.00 0.00 C ATOM 982 CD1 TYR A 68 5.534 6.215 5.982 1.00 0.00 C ATOM 983 CD2 TYR A 68 4.825 8.019 4.595 1.00 0.00 C ATOM 984 CE1 TYR A 68 6.834 6.681 5.934 1.00 0.00 C ATOM 985 CE2 TYR A 68 6.122 8.491 4.539 1.00 0.00 C ATOM 986 CZ TYR A 68 7.123 7.820 5.210 1.00 0.00 C ATOM 987 OH TYR A 68 8.415 8.289 5.159 1.00 0.00 O ATOM 0 H TYR A 68 3.743 7.771 7.837 1.00 0.00 H new ATOM 0 HA TYR A 68 1.315 6.803 6.500 1.00 0.00 H new ATOM 0 HB2 TYR A 68 3.095 5.281 5.213 1.00 0.00 H new ATOM 0 HB3 TYR A 68 2.518 6.799 4.553 1.00 0.00 H new ATOM 0 HD1 TYR A 68 5.311 5.323 6.548 1.00 0.00 H new ATOM 0 HD2 TYR A 68 4.044 8.549 4.070 1.00 0.00 H new ATOM 0 HE1 TYR A 68 7.619 6.157 6.460 1.00 0.00 H new ATOM 0 HE2 TYR A 68 6.351 9.381 3.972 1.00 0.00 H new ATOM 0 HH TYR A 68 8.448 9.098 4.607 1.00 0.00 H new ATOM 997 N SER A 69 1.704 4.476 7.495 1.00 0.00 N ATOM 998 CA SER A 69 1.756 3.296 8.350 1.00 0.00 C ATOM 999 C SER A 69 1.644 2.020 7.522 1.00 0.00 C ATOM 1000 O SER A 69 0.803 1.920 6.627 1.00 0.00 O ATOM 1001 CB SER A 69 0.635 3.344 9.390 1.00 0.00 C ATOM 1002 OG SER A 69 1.017 4.115 10.515 1.00 0.00 O ATOM 0 H SER A 69 0.976 4.448 6.781 1.00 0.00 H new ATOM 0 HA SER A 69 2.718 3.291 8.863 1.00 0.00 H new ATOM 0 HB2 SER A 69 -0.263 3.769 8.942 1.00 0.00 H new ATOM 0 HB3 SER A 69 0.385 2.332 9.707 1.00 0.00 H new ATOM 0 HG SER A 69 0.283 4.132 11.164 1.00 0.00 H new ATOM 1008 N ILE A 70 2.494 1.046 7.828 1.00 0.00 N ATOM 1009 CA ILE A 70 2.490 -0.225 7.113 1.00 0.00 C ATOM 1010 C ILE A 70 2.160 -1.381 8.050 1.00 0.00 C ATOM 1011 O ILE A 70 2.865 -1.618 9.031 1.00 0.00 O ATOM 1012 CB ILE A 70 3.848 -0.496 6.439 1.00 0.00 C ATOM 1013 CG1 ILE A 70 3.826 -0.014 4.987 1.00 0.00 C ATOM 1014 CG2 ILE A 70 4.186 -1.977 6.506 1.00 0.00 C ATOM 1015 CD1 ILE A 70 5.199 0.284 4.428 1.00 0.00 C ATOM 0 H ILE A 70 3.195 1.112 8.566 1.00 0.00 H new ATOM 0 HA ILE A 70 1.721 -0.153 6.344 1.00 0.00 H new ATOM 0 HB ILE A 70 4.620 0.057 6.974 1.00 0.00 H new ATOM 0 HG12 ILE A 70 3.348 -0.773 4.368 1.00 0.00 H new ATOM 0 HG13 ILE A 70 3.213 0.885 4.920 1.00 0.00 H new ATOM 0 HG21 ILE A 70 5.148 -2.153 6.026 1.00 0.00 H new ATOM 0 HG22 ILE A 70 4.238 -2.292 7.548 1.00 0.00 H new ATOM 0 HG23 ILE A 70 3.414 -2.550 5.992 1.00 0.00 H new ATOM 0 HD11 ILE A 70 5.106 0.620 3.395 1.00 0.00 H new ATOM 0 HD12 ILE A 70 5.672 1.065 5.023 1.00 0.00 H new ATOM 0 HD13 ILE A 70 5.809 -0.618 4.462 1.00 0.00 H new ATOM 1027 N GLN A 71 1.086 -2.099 7.740 1.00 0.00 N ATOM 1028 CA GLN A 71 0.663 -3.232 8.555 1.00 0.00 C ATOM 1029 C GLN A 71 0.435 -4.468 7.692 1.00 0.00 C ATOM 1030 O GLN A 71 0.549 -4.413 6.467 1.00 0.00 O ATOM 1031 CB GLN A 71 -0.614 -2.888 9.323 1.00 0.00 C ATOM 1032 CG GLN A 71 -0.680 -1.438 9.776 1.00 0.00 C ATOM 1033 CD GLN A 71 -1.205 -0.512 8.697 1.00 0.00 C ATOM 1034 OE1 GLN A 71 -0.588 0.506 8.384 1.00 0.00 O ATOM 1035 NE2 GLN A 71 -2.350 -0.861 8.123 1.00 0.00 N ATOM 0 H GLN A 71 0.493 -1.917 6.931 1.00 0.00 H new ATOM 0 HA GLN A 71 1.458 -3.451 9.268 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -1.476 -3.102 8.692 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -0.689 -3.536 10.196 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -1.320 -1.365 10.655 1.00 0.00 H new ATOM 0 HG3 GLN A 71 0.315 -1.110 10.078 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -2.827 -1.714 8.414 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -2.752 -0.276 7.391 1.00 0.00 H new ATOM 1044 N VAL A 72 0.112 -5.584 8.338 1.00 0.00 N ATOM 1045 CA VAL A 72 -0.133 -6.834 7.629 1.00 0.00 C ATOM 1046 C VAL A 72 -1.324 -7.579 8.223 1.00 0.00 C ATOM 1047 O VAL A 72 -1.963 -7.101 9.162 1.00 0.00 O ATOM 1048 CB VAL A 72 1.102 -7.752 7.666 1.00 0.00 C ATOM 1049 CG1 VAL A 72 2.174 -7.244 6.714 1.00 0.00 C ATOM 1050 CG2 VAL A 72 1.644 -7.859 9.084 1.00 0.00 C ATOM 0 H VAL A 72 0.014 -5.648 9.351 1.00 0.00 H new ATOM 0 HA VAL A 72 -0.351 -6.572 6.594 1.00 0.00 H new ATOM 0 HB VAL A 72 0.803 -8.748 7.340 1.00 0.00 H new ATOM 0 HG11 VAL A 72 3.039 -7.906 6.754 1.00 0.00 H new ATOM 0 HG12 VAL A 72 1.779 -7.224 5.698 1.00 0.00 H new ATOM 0 HG13 VAL A 72 2.473 -6.238 7.007 1.00 0.00 H new ATOM 0 HG21 VAL A 72 2.517 -8.512 9.092 1.00 0.00 H new ATOM 0 HG22 VAL A 72 1.928 -6.869 9.441 1.00 0.00 H new ATOM 0 HG23 VAL A 72 0.876 -8.273 9.737 1.00 0.00 H new ATOM 1060 N SER A 73 -1.616 -8.752 7.673 1.00 0.00 N ATOM 1061 CA SER A 73 -2.732 -9.562 8.146 1.00 0.00 C ATOM 1062 C SER A 73 -2.285 -10.995 8.420 1.00 0.00 C ATOM 1063 O SER A 73 -1.794 -11.686 7.528 1.00 0.00 O ATOM 1064 CB SER A 73 -3.865 -9.558 7.119 1.00 0.00 C ATOM 1065 OG SER A 73 -4.020 -8.275 6.536 1.00 0.00 O ATOM 0 H SER A 73 -1.095 -9.163 6.899 1.00 0.00 H new ATOM 0 HA SER A 73 -3.094 -9.127 9.078 1.00 0.00 H new ATOM 0 HB2 SER A 73 -3.657 -10.292 6.340 1.00 0.00 H new ATOM 0 HB3 SER A 73 -4.796 -9.858 7.599 1.00 0.00 H new ATOM 0 HG SER A 73 -4.040 -8.360 5.560 1.00 0.00 H new ATOM 1071 N ASN A 74 -2.460 -11.436 9.662 1.00 0.00 N ATOM 1072 CA ASN A 74 -2.075 -12.786 10.055 1.00 0.00 C ATOM 1073 C ASN A 74 -2.370 -13.027 11.533 1.00 0.00 C ATOM 1074 O ASN A 74 -2.263 -12.116 12.355 1.00 0.00 O ATOM 1075 CB ASN A 74 -0.588 -13.016 9.777 1.00 0.00 C ATOM 1076 CG ASN A 74 0.231 -11.749 9.927 1.00 0.00 C ATOM 1077 OD1 ASN A 74 0.974 -11.366 9.022 1.00 0.00 O ATOM 1078 ND2 ASN A 74 0.100 -11.092 11.074 1.00 0.00 N ATOM 0 H ASN A 74 -2.866 -10.878 10.413 1.00 0.00 H new ATOM 0 HA ASN A 74 -2.662 -13.491 9.465 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -0.207 -13.775 10.460 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -0.466 -13.407 8.767 1.00 0.00 H new ATOM 0 HD21 ASN A 74 0.627 -10.233 11.233 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -0.527 -11.446 11.796 1.00 0.00 H new ATOM 1085 N ASP A 75 -2.741 -14.259 11.862 1.00 0.00 N ATOM 1086 CA ASP A 75 -3.050 -14.621 13.241 1.00 0.00 C ATOM 1087 C ASP A 75 -2.942 -16.129 13.444 1.00 0.00 C ATOM 1088 O ASP A 75 -2.379 -16.593 14.435 1.00 0.00 O ATOM 1089 CB ASP A 75 -4.454 -14.143 13.614 1.00 0.00 C ATOM 1090 CG ASP A 75 -4.616 -13.930 15.106 1.00 0.00 C ATOM 1091 OD1 ASP A 75 -3.643 -14.173 15.848 1.00 0.00 O ATOM 1092 OD2 ASP A 75 -5.717 -13.522 15.531 1.00 0.00 O ATOM 0 H ASP A 75 -2.835 -15.024 11.194 1.00 0.00 H new ATOM 0 HA ASP A 75 -2.324 -14.132 13.890 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -4.668 -13.211 13.092 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -5.186 -14.875 13.273 1.00 0.00 H new ATOM 1097 N SER A 76 -3.485 -16.890 12.499 1.00 0.00 N ATOM 1098 CA SER A 76 -3.453 -18.346 12.576 1.00 0.00 C ATOM 1099 C SER A 76 -2.520 -18.925 11.518 1.00 0.00 C ATOM 1100 O SER A 76 -2.370 -20.141 11.405 1.00 0.00 O ATOM 1101 CB SER A 76 -4.861 -18.917 12.398 1.00 0.00 C ATOM 1102 OG SER A 76 -4.850 -20.332 12.470 1.00 0.00 O ATOM 0 H SER A 76 -3.953 -16.522 11.671 1.00 0.00 H new ATOM 0 HA SER A 76 -3.076 -18.626 13.560 1.00 0.00 H new ATOM 0 HB2 SER A 76 -5.520 -18.516 13.168 1.00 0.00 H new ATOM 0 HB3 SER A 76 -5.266 -18.602 11.436 1.00 0.00 H new ATOM 0 HG SER A 76 -4.040 -20.675 12.038 1.00 0.00 H new ATOM 1108 N GLY A 77 -1.893 -18.045 10.744 1.00 0.00 N ATOM 1109 CA GLY A 77 -0.981 -18.487 9.704 1.00 0.00 C ATOM 1110 C GLY A 77 -1.605 -18.434 8.324 1.00 0.00 C ATOM 1111 O GLY A 77 -1.005 -17.913 7.384 1.00 0.00 O ATOM 0 H GLY A 77 -2.000 -17.033 10.818 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -0.088 -17.863 9.719 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -0.661 -19.507 9.916 1.00 0.00 H new ATOM 1115 N SER A 78 -2.813 -18.975 8.201 1.00 0.00 N ATOM 1116 CA SER A 78 -3.517 -18.992 6.925 1.00 0.00 C ATOM 1117 C SER A 78 -4.833 -18.226 7.020 1.00 0.00 C ATOM 1118 O SER A 78 -5.479 -17.949 6.008 1.00 0.00 O ATOM 1119 CB SER A 78 -3.783 -20.432 6.483 1.00 0.00 C ATOM 1120 OG SER A 78 -3.785 -20.540 5.070 1.00 0.00 O ATOM 0 H SER A 78 -3.324 -19.407 8.970 1.00 0.00 H new ATOM 0 HA SER A 78 -2.885 -18.503 6.184 1.00 0.00 H new ATOM 0 HB2 SER A 78 -3.021 -21.090 6.900 1.00 0.00 H new ATOM 0 HB3 SER A 78 -4.743 -20.765 6.878 1.00 0.00 H new ATOM 0 HG SER A 78 -3.956 -21.470 4.813 1.00 0.00 H new ATOM 1126 N THR A 79 -5.225 -17.884 8.243 1.00 0.00 N ATOM 1127 CA THR A 79 -6.464 -17.151 8.473 1.00 0.00 C ATOM 1128 C THR A 79 -6.189 -15.790 9.100 1.00 0.00 C ATOM 1129 O THR A 79 -6.355 -15.590 10.304 1.00 0.00 O ATOM 1130 CB THR A 79 -7.423 -17.941 9.383 1.00 0.00 C ATOM 1131 OG1 THR A 79 -7.366 -19.336 9.065 1.00 0.00 O ATOM 1132 CG2 THR A 79 -8.851 -17.439 9.230 1.00 0.00 C ATOM 0 H THR A 79 -4.702 -18.103 9.091 1.00 0.00 H new ATOM 0 HA THR A 79 -6.934 -17.010 7.500 1.00 0.00 H new ATOM 0 HB THR A 79 -7.111 -17.792 10.417 1.00 0.00 H new ATOM 0 HG1 THR A 79 -7.978 -19.830 9.650 1.00 0.00 H new ATOM 0 HG21 THR A 79 -9.510 -18.012 9.882 1.00 0.00 H new ATOM 0 HG22 THR A 79 -8.897 -16.385 9.503 1.00 0.00 H new ATOM 0 HG23 THR A 79 -9.170 -17.560 8.195 1.00 0.00 H new ATOM 1140 N PRO A 80 -5.761 -14.829 8.268 1.00 0.00 N ATOM 1141 CA PRO A 80 -5.455 -13.469 8.720 1.00 0.00 C ATOM 1142 C PRO A 80 -6.707 -12.697 9.123 1.00 0.00 C ATOM 1143 O PRO A 80 -7.735 -12.764 8.448 1.00 0.00 O ATOM 1144 CB PRO A 80 -4.802 -12.826 7.494 1.00 0.00 C ATOM 1145 CG PRO A 80 -5.341 -13.589 6.334 1.00 0.00 C ATOM 1146 CD PRO A 80 -5.541 -14.998 6.822 1.00 0.00 C ATOM 0 HA PRO A 80 -4.822 -13.467 9.607 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -5.052 -11.767 7.422 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -3.715 -12.895 7.543 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -6.281 -13.159 5.987 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -4.648 -13.562 5.493 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -6.394 -15.474 6.338 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -4.671 -15.622 6.618 1.00 0.00 H new ATOM 1154 N THR A 81 -6.614 -11.963 10.228 1.00 0.00 N ATOM 1155 CA THR A 81 -7.739 -11.179 10.721 1.00 0.00 C ATOM 1156 C THR A 81 -7.263 -10.019 11.588 1.00 0.00 C ATOM 1157 O THR A 81 -7.834 -8.930 11.552 1.00 0.00 O ATOM 1158 CB THR A 81 -8.715 -12.048 11.537 1.00 0.00 C ATOM 1159 OG1 THR A 81 -7.986 -12.884 12.443 1.00 0.00 O ATOM 1160 CG2 THR A 81 -9.568 -12.910 10.619 1.00 0.00 C ATOM 0 H THR A 81 -5.771 -11.896 10.798 1.00 0.00 H new ATOM 0 HA THR A 81 -8.258 -10.786 9.846 1.00 0.00 H new ATOM 0 HB THR A 81 -9.371 -11.386 12.102 1.00 0.00 H new ATOM 0 HG1 THR A 81 -8.613 -13.432 12.959 1.00 0.00 H new ATOM 0 HG21 THR A 81 -10.249 -13.515 11.217 1.00 0.00 H new ATOM 0 HG22 THR A 81 -10.143 -12.270 9.950 1.00 0.00 H new ATOM 0 HG23 THR A 81 -8.924 -13.564 10.031 1.00 0.00 H new ATOM 1168 N ASN A 82 -6.213 -10.261 12.366 1.00 0.00 N ATOM 1169 CA ASN A 82 -5.660 -9.235 13.243 1.00 0.00 C ATOM 1170 C ASN A 82 -4.900 -8.184 12.439 1.00 0.00 C ATOM 1171 O ASN A 82 -4.617 -8.377 11.257 1.00 0.00 O ATOM 1172 CB ASN A 82 -4.732 -9.868 14.282 1.00 0.00 C ATOM 1173 CG ASN A 82 -4.714 -9.097 15.587 1.00 0.00 C ATOM 1174 OD1 ASN A 82 -5.645 -8.353 15.895 1.00 0.00 O ATOM 1175 ND2 ASN A 82 -3.651 -9.273 16.363 1.00 0.00 N ATOM 0 H ASN A 82 -5.728 -11.158 12.407 1.00 0.00 H new ATOM 0 HA ASN A 82 -6.488 -8.746 13.756 1.00 0.00 H new ATOM 0 HB2 ASN A 82 -5.050 -10.893 14.473 1.00 0.00 H new ATOM 0 HB3 ASN A 82 -3.721 -9.918 13.879 1.00 0.00 H new ATOM 0 HD21 ASN A 82 -3.583 -8.782 17.254 1.00 0.00 H new ATOM 0 HD22 ASN A 82 -2.902 -9.900 16.068 1.00 0.00 H new ATOM 1182 N TRP A 83 -4.572 -7.073 13.089 1.00 0.00 N ATOM 1183 CA TRP A 83 -3.844 -5.991 12.434 1.00 0.00 C ATOM 1184 C TRP A 83 -2.721 -5.474 13.326 1.00 0.00 C ATOM 1185 O TRP A 83 -2.941 -5.142 14.491 1.00 0.00 O ATOM 1186 CB TRP A 83 -4.797 -4.849 12.080 1.00 0.00 C ATOM 1187 CG TRP A 83 -4.914 -4.609 10.605 1.00 0.00 C ATOM 1188 CD1 TRP A 83 -4.896 -5.552 9.617 1.00 0.00 C ATOM 1189 CD2 TRP A 83 -5.065 -3.344 9.951 1.00 0.00 C ATOM 1190 NE1 TRP A 83 -5.026 -4.950 8.390 1.00 0.00 N ATOM 1191 CE2 TRP A 83 -5.133 -3.596 8.568 1.00 0.00 C ATOM 1192 CE3 TRP A 83 -5.151 -2.024 10.401 1.00 0.00 C ATOM 1193 CZ2 TRP A 83 -5.281 -2.576 7.632 1.00 0.00 C ATOM 1194 CZ3 TRP A 83 -5.299 -1.013 9.472 1.00 0.00 C ATOM 1195 CH2 TRP A 83 -5.363 -1.293 8.100 1.00 0.00 C ATOM 0 H TRP A 83 -4.798 -6.897 14.068 1.00 0.00 H new ATOM 0 HA TRP A 83 -3.404 -6.385 11.518 1.00 0.00 H new ATOM 0 HB2 TRP A 83 -5.785 -5.071 12.484 1.00 0.00 H new ATOM 0 HB3 TRP A 83 -4.453 -3.935 12.564 1.00 0.00 H new ATOM 0 HD1 TRP A 83 -4.794 -6.615 9.777 1.00 0.00 H new ATOM 0 HE1 TRP A 83 -5.041 -5.433 7.492 1.00 0.00 H new ATOM 0 HE3 TRP A 83 -5.103 -1.798 11.456 1.00 0.00 H new ATOM 0 HZ2 TRP A 83 -5.329 -2.790 6.574 1.00 0.00 H new ATOM 0 HZ3 TRP A 83 -5.367 0.011 9.808 1.00 0.00 H new ATOM 0 HH2 TRP A 83 -5.479 -0.480 7.399 1.00 0.00 H new ATOM 1206 N THR A 84 -1.513 -5.410 12.773 1.00 0.00 N ATOM 1207 CA THR A 84 -0.356 -4.934 13.518 1.00 0.00 C ATOM 1208 C THR A 84 0.563 -4.098 12.633 1.00 0.00 C ATOM 1209 O THR A 84 0.897 -4.496 11.517 1.00 0.00 O ATOM 1210 CB THR A 84 0.450 -6.104 14.114 1.00 0.00 C ATOM 1211 OG1 THR A 84 1.443 -5.607 15.016 1.00 0.00 O ATOM 1212 CG2 THR A 84 1.117 -6.917 13.014 1.00 0.00 C ATOM 0 H THR A 84 -1.312 -5.682 11.811 1.00 0.00 H new ATOM 0 HA THR A 84 -0.737 -4.314 14.330 1.00 0.00 H new ATOM 0 HB THR A 84 -0.239 -6.752 14.656 1.00 0.00 H new ATOM 0 HG1 THR A 84 1.949 -6.358 15.391 1.00 0.00 H new ATOM 0 HG21 THR A 84 1.680 -7.737 13.459 1.00 0.00 H new ATOM 0 HG22 THR A 84 0.355 -7.320 12.346 1.00 0.00 H new ATOM 0 HG23 THR A 84 1.794 -6.277 12.448 1.00 0.00 H new ATOM 1220 N THR A 85 0.971 -2.938 13.139 1.00 0.00 N ATOM 1221 CA THR A 85 1.851 -2.047 12.394 1.00 0.00 C ATOM 1222 C THR A 85 3.289 -2.553 12.412 1.00 0.00 C ATOM 1223 O THR A 85 3.674 -3.327 13.287 1.00 0.00 O ATOM 1224 CB THR A 85 1.815 -0.617 12.964 1.00 0.00 C ATOM 1225 OG1 THR A 85 1.938 -0.654 14.390 1.00 0.00 O ATOM 1226 CG2 THR A 85 0.521 0.086 12.580 1.00 0.00 C ATOM 0 H THR A 85 0.706 -2.594 14.062 1.00 0.00 H new ATOM 0 HA THR A 85 1.488 -2.030 11.367 1.00 0.00 H new ATOM 0 HB THR A 85 2.652 -0.061 12.542 1.00 0.00 H new ATOM 0 HG1 THR A 85 1.916 0.260 14.744 1.00 0.00 H new ATOM 0 HG21 THR A 85 0.518 1.094 12.994 1.00 0.00 H new ATOM 0 HG22 THR A 85 0.444 0.139 11.494 1.00 0.00 H new ATOM 0 HG23 THR A 85 -0.327 -0.471 12.977 1.00 0.00 H new ATOM 1234 N VAL A 86 4.079 -2.109 11.441 1.00 0.00 N ATOM 1235 CA VAL A 86 5.477 -2.516 11.346 1.00 0.00 C ATOM 1236 C VAL A 86 6.405 -1.307 11.401 1.00 0.00 C ATOM 1237 O VAL A 86 7.608 -1.445 11.625 1.00 0.00 O ATOM 1238 CB VAL A 86 5.747 -3.298 10.047 1.00 0.00 C ATOM 1239 CG1 VAL A 86 7.074 -4.036 10.135 1.00 0.00 C ATOM 1240 CG2 VAL A 86 4.608 -4.264 9.761 1.00 0.00 C ATOM 0 H VAL A 86 3.776 -1.467 10.708 1.00 0.00 H new ATOM 0 HA VAL A 86 5.677 -3.164 12.199 1.00 0.00 H new ATOM 0 HB VAL A 86 5.807 -2.589 9.221 1.00 0.00 H new ATOM 0 HG11 VAL A 86 7.248 -4.583 9.208 1.00 0.00 H new ATOM 0 HG12 VAL A 86 7.880 -3.318 10.290 1.00 0.00 H new ATOM 0 HG13 VAL A 86 7.046 -4.736 10.970 1.00 0.00 H new ATOM 0 HG21 VAL A 86 4.815 -4.808 8.840 1.00 0.00 H new ATOM 0 HG22 VAL A 86 4.514 -4.970 10.586 1.00 0.00 H new ATOM 0 HG23 VAL A 86 3.677 -3.707 9.652 1.00 0.00 H new ATOM 1250 N TYR A 87 5.839 -0.124 11.197 1.00 0.00 N ATOM 1251 CA TYR A 87 6.617 1.109 11.221 1.00 0.00 C ATOM 1252 C TYR A 87 5.702 2.330 11.273 1.00 0.00 C ATOM 1253 O TYR A 87 4.493 2.222 11.067 1.00 0.00 O ATOM 1254 CB TYR A 87 7.524 1.190 9.993 1.00 0.00 C ATOM 1255 CG TYR A 87 8.681 2.149 10.156 1.00 0.00 C ATOM 1256 CD1 TYR A 87 9.786 1.812 10.929 1.00 0.00 C ATOM 1257 CD2 TYR A 87 8.670 3.395 9.540 1.00 0.00 C ATOM 1258 CE1 TYR A 87 10.845 2.685 11.082 1.00 0.00 C ATOM 1259 CE2 TYR A 87 9.724 4.274 9.686 1.00 0.00 C ATOM 1260 CZ TYR A 87 10.810 3.915 10.458 1.00 0.00 C ATOM 1261 OH TYR A 87 11.862 4.789 10.608 1.00 0.00 O ATOM 0 H TYR A 87 4.844 0.008 11.013 1.00 0.00 H new ATOM 0 HA TYR A 87 7.234 1.101 12.119 1.00 0.00 H new ATOM 0 HB2 TYR A 87 7.915 0.196 9.775 1.00 0.00 H new ATOM 0 HB3 TYR A 87 6.929 1.495 9.132 1.00 0.00 H new ATOM 0 HD1 TYR A 87 9.817 0.850 11.419 1.00 0.00 H new ATOM 0 HD2 TYR A 87 7.821 3.680 8.936 1.00 0.00 H new ATOM 0 HE1 TYR A 87 11.696 2.407 11.687 1.00 0.00 H new ATOM 0 HE2 TYR A 87 9.699 5.238 9.199 1.00 0.00 H new ATOM 0 HH TYR A 87 11.680 5.609 10.103 1.00 0.00 H new ATOM 1271 N SER A 88 6.289 3.490 11.547 1.00 0.00 N ATOM 1272 CA SER A 88 5.527 4.731 11.629 1.00 0.00 C ATOM 1273 C SER A 88 6.443 5.910 11.947 1.00 0.00 C ATOM 1274 O SER A 88 7.268 5.843 12.859 1.00 0.00 O ATOM 1275 CB SER A 88 4.436 4.616 12.695 1.00 0.00 C ATOM 1276 OG SER A 88 4.904 3.905 13.828 1.00 0.00 O ATOM 0 H SER A 88 7.289 3.597 11.716 1.00 0.00 H new ATOM 0 HA SER A 88 5.060 4.906 10.660 1.00 0.00 H new ATOM 0 HB2 SER A 88 4.110 5.612 12.996 1.00 0.00 H new ATOM 0 HB3 SER A 88 3.566 4.109 12.277 1.00 0.00 H new ATOM 0 HG SER A 88 4.189 3.846 14.496 1.00 0.00 H new ATOM 1282 N THR A 89 6.291 6.990 11.187 1.00 0.00 N ATOM 1283 CA THR A 89 7.103 8.184 11.385 1.00 0.00 C ATOM 1284 C THR A 89 6.328 9.258 12.141 1.00 0.00 C ATOM 1285 O THR A 89 6.781 9.758 13.170 1.00 0.00 O ATOM 1286 CB THR A 89 7.586 8.765 10.042 1.00 0.00 C ATOM 1287 OG1 THR A 89 6.689 8.385 8.993 1.00 0.00 O ATOM 1288 CG2 THR A 89 8.990 8.278 9.716 1.00 0.00 C ATOM 0 H THR A 89 5.613 7.062 10.429 1.00 0.00 H new ATOM 0 HA THR A 89 7.969 7.882 11.974 1.00 0.00 H new ATOM 0 HB THR A 89 7.605 9.851 10.127 1.00 0.00 H new ATOM 0 HG1 THR A 89 7.189 7.929 8.284 1.00 0.00 H new ATOM 0 HG21 THR A 89 9.310 8.701 8.764 1.00 0.00 H new ATOM 0 HG22 THR A 89 9.676 8.593 10.502 1.00 0.00 H new ATOM 0 HG23 THR A 89 8.991 7.190 9.648 1.00 0.00 H new ATOM 1296 N THR A 90 5.154 9.608 11.622 1.00 0.00 N ATOM 1297 CA THR A 90 4.315 10.622 12.248 1.00 0.00 C ATOM 1298 C THR A 90 4.980 11.994 12.195 1.00 0.00 C ATOM 1299 O THR A 90 4.894 12.775 13.143 1.00 0.00 O ATOM 1300 CB THR A 90 4.007 10.270 13.715 1.00 0.00 C ATOM 1301 OG1 THR A 90 4.238 8.876 13.944 1.00 0.00 O ATOM 1302 CG2 THR A 90 2.567 10.615 14.064 1.00 0.00 C ATOM 0 H THR A 90 4.764 9.204 10.771 1.00 0.00 H new ATOM 0 HA THR A 90 3.381 10.651 11.686 1.00 0.00 H new ATOM 0 HB THR A 90 4.669 10.856 14.352 1.00 0.00 H new ATOM 0 HG1 THR A 90 4.041 8.661 14.880 1.00 0.00 H new ATOM 0 HG21 THR A 90 2.373 10.357 15.105 1.00 0.00 H new ATOM 0 HG22 THR A 90 2.403 11.683 13.918 1.00 0.00 H new ATOM 0 HG23 THR A 90 1.892 10.053 13.419 1.00 0.00 H new ATOM 1310 N THR A 91 5.643 12.283 11.079 1.00 0.00 N ATOM 1311 CA THR A 91 6.322 13.560 10.902 1.00 0.00 C ATOM 1312 C THR A 91 5.745 14.331 9.721 1.00 0.00 C ATOM 1313 O THR A 91 4.994 15.289 9.899 1.00 0.00 O ATOM 1314 CB THR A 91 7.835 13.367 10.686 1.00 0.00 C ATOM 1315 OG1 THR A 91 8.062 12.399 9.655 1.00 0.00 O ATOM 1316 CG2 THR A 91 8.512 12.916 11.971 1.00 0.00 C ATOM 0 H THR A 91 5.724 11.649 10.284 1.00 0.00 H new ATOM 0 HA THR A 91 6.164 14.131 11.817 1.00 0.00 H new ATOM 0 HB THR A 91 8.263 14.324 10.386 1.00 0.00 H new ATOM 0 HG1 THR A 91 9.026 12.283 9.522 1.00 0.00 H new ATOM 0 HG21 THR A 91 9.580 12.786 11.794 1.00 0.00 H new ATOM 0 HG22 THR A 91 8.361 13.669 12.745 1.00 0.00 H new ATOM 0 HG23 THR A 91 8.081 11.969 12.297 1.00 0.00 H new ATOM 1324 N GLY A 92 6.101 13.906 8.513 1.00 0.00 N ATOM 1325 CA GLY A 92 5.608 14.567 7.318 1.00 0.00 C ATOM 1326 C GLY A 92 6.723 14.939 6.361 1.00 0.00 C ATOM 1327 O GLY A 92 7.790 15.386 6.782 1.00 0.00 O ATOM 0 H GLY A 92 6.722 13.116 8.340 1.00 0.00 H new ATOM 0 HA2 GLY A 92 4.900 13.912 6.810 1.00 0.00 H new ATOM 0 HA3 GLY A 92 5.062 15.467 7.603 1.00 0.00 H new ATOM 1331 N ASP A 93 6.476 14.754 5.068 1.00 0.00 N ATOM 1332 CA ASP A 93 7.467 15.072 4.047 1.00 0.00 C ATOM 1333 C ASP A 93 6.930 14.764 2.653 1.00 0.00 C ATOM 1334 O ASP A 93 7.242 15.460 1.688 1.00 0.00 O ATOM 1335 CB ASP A 93 8.757 14.288 4.296 1.00 0.00 C ATOM 1336 CG ASP A 93 9.961 15.194 4.463 1.00 0.00 C ATOM 1337 OD1 ASP A 93 10.102 16.147 3.668 1.00 0.00 O ATOM 1338 OD2 ASP A 93 10.763 14.949 5.388 1.00 0.00 O ATOM 0 H ASP A 93 5.598 14.385 4.703 1.00 0.00 H new ATOM 0 HA ASP A 93 7.683 16.139 4.105 1.00 0.00 H new ATOM 0 HB2 ASP A 93 8.640 13.676 5.190 1.00 0.00 H new ATOM 0 HB3 ASP A 93 8.931 13.607 3.463 1.00 0.00 H new ATOM 1343 N GLY A 94 6.121 13.713 2.555 1.00 0.00 N ATOM 1344 CA GLY A 94 5.554 13.329 1.276 1.00 0.00 C ATOM 1345 C GLY A 94 6.538 12.564 0.413 1.00 0.00 C ATOM 1346 O GLY A 94 6.238 12.228 -0.733 1.00 0.00 O ATOM 0 H GLY A 94 5.848 13.121 3.339 1.00 0.00 H new ATOM 0 HA2 GLY A 94 4.669 12.715 1.444 1.00 0.00 H new ATOM 0 HA3 GLY A 94 5.227 14.222 0.744 1.00 0.00 H new ATOM 1350 N ALA A 95 7.716 12.288 0.963 1.00 0.00 N ATOM 1351 CA ALA A 95 8.745 11.556 0.236 1.00 0.00 C ATOM 1352 C ALA A 95 8.457 10.059 0.231 1.00 0.00 C ATOM 1353 O ALA A 95 7.619 9.577 0.994 1.00 0.00 O ATOM 1354 CB ALA A 95 10.114 11.830 0.842 1.00 0.00 C ATOM 0 H ALA A 95 7.981 12.560 1.910 1.00 0.00 H new ATOM 0 HA ALA A 95 8.740 11.902 -0.797 1.00 0.00 H new ATOM 0 HB1 ALA A 95 10.874 11.277 0.290 1.00 0.00 H new ATOM 0 HB2 ALA A 95 10.330 12.897 0.786 1.00 0.00 H new ATOM 0 HB3 ALA A 95 10.121 11.512 1.885 1.00 0.00 H new ATOM 1360 N ILE A 96 9.155 9.329 -0.632 1.00 0.00 N ATOM 1361 CA ILE A 96 8.973 7.886 -0.734 1.00 0.00 C ATOM 1362 C ILE A 96 9.039 7.225 0.638 1.00 0.00 C ATOM 1363 O ILE A 96 9.942 7.501 1.428 1.00 0.00 O ATOM 1364 CB ILE A 96 10.034 7.249 -1.651 1.00 0.00 C ATOM 1365 CG1 ILE A 96 10.022 7.921 -3.026 1.00 0.00 C ATOM 1366 CG2 ILE A 96 9.787 5.753 -1.784 1.00 0.00 C ATOM 1367 CD1 ILE A 96 11.321 8.613 -3.370 1.00 0.00 C ATOM 0 H ILE A 96 9.852 9.713 -1.271 1.00 0.00 H new ATOM 0 HA ILE A 96 7.986 7.722 -1.166 1.00 0.00 H new ATOM 0 HB ILE A 96 11.017 7.398 -1.204 1.00 0.00 H new ATOM 0 HG12 ILE A 96 9.807 7.170 -3.787 1.00 0.00 H new ATOM 0 HG13 ILE A 96 9.212 8.649 -3.059 1.00 0.00 H new ATOM 0 HG21 ILE A 96 10.544 5.316 -2.435 1.00 0.00 H new ATOM 0 HG22 ILE A 96 9.841 5.287 -0.800 1.00 0.00 H new ATOM 0 HG23 ILE A 96 8.799 5.584 -2.212 1.00 0.00 H new ATOM 0 HD11 ILE A 96 11.241 9.067 -4.358 1.00 0.00 H new ATOM 0 HD12 ILE A 96 11.528 9.387 -2.631 1.00 0.00 H new ATOM 0 HD13 ILE A 96 12.132 7.885 -3.370 1.00 0.00 H new ATOM 1379 N ASP A 97 8.078 6.350 0.914 1.00 0.00 N ATOM 1380 CA ASP A 97 8.029 5.646 2.189 1.00 0.00 C ATOM 1381 C ASP A 97 8.767 4.314 2.105 1.00 0.00 C ATOM 1382 O ASP A 97 8.293 3.370 1.473 1.00 0.00 O ATOM 1383 CB ASP A 97 6.577 5.412 2.611 1.00 0.00 C ATOM 1384 CG ASP A 97 6.446 4.327 3.662 1.00 0.00 C ATOM 1385 OD1 ASP A 97 7.353 4.213 4.512 1.00 0.00 O ATOM 1386 OD2 ASP A 97 5.439 3.590 3.633 1.00 0.00 O ATOM 0 H ASP A 97 7.323 6.112 0.271 1.00 0.00 H new ATOM 0 HA ASP A 97 8.522 6.267 2.937 1.00 0.00 H new ATOM 0 HB2 ASP A 97 6.160 6.342 2.999 1.00 0.00 H new ATOM 0 HB3 ASP A 97 5.987 5.139 1.736 1.00 0.00 H new ATOM 1391 N ASP A 98 9.930 4.247 2.744 1.00 0.00 N ATOM 1392 CA ASP A 98 10.735 3.030 2.740 1.00 0.00 C ATOM 1393 C ASP A 98 10.738 2.377 4.119 1.00 0.00 C ATOM 1394 O ASP A 98 11.253 2.943 5.083 1.00 0.00 O ATOM 1395 CB ASP A 98 12.168 3.342 2.306 1.00 0.00 C ATOM 1396 CG ASP A 98 13.125 2.208 2.611 1.00 0.00 C ATOM 1397 OD1 ASP A 98 13.128 1.214 1.855 1.00 0.00 O ATOM 1398 OD2 ASP A 98 13.872 2.312 3.608 1.00 0.00 O ATOM 0 H ASP A 98 10.336 5.020 3.271 1.00 0.00 H new ATOM 0 HA ASP A 98 10.293 2.333 2.028 1.00 0.00 H new ATOM 0 HB2 ASP A 98 12.184 3.549 1.236 1.00 0.00 H new ATOM 0 HB3 ASP A 98 12.508 4.246 2.810 1.00 0.00 H new ATOM 1403 N ILE A 99 10.161 1.184 4.204 1.00 0.00 N ATOM 1404 CA ILE A 99 10.097 0.454 5.464 1.00 0.00 C ATOM 1405 C ILE A 99 10.983 -0.786 5.426 1.00 0.00 C ATOM 1406 O ILE A 99 11.033 -1.498 4.423 1.00 0.00 O ATOM 1407 CB ILE A 99 8.655 0.030 5.798 1.00 0.00 C ATOM 1408 CG1 ILE A 99 8.571 -0.486 7.235 1.00 0.00 C ATOM 1409 CG2 ILE A 99 8.174 -1.031 4.819 1.00 0.00 C ATOM 1410 CD1 ILE A 99 7.187 -0.954 7.630 1.00 0.00 C ATOM 0 H ILE A 99 9.731 0.702 3.415 1.00 0.00 H new ATOM 0 HA ILE A 99 10.456 1.131 6.239 1.00 0.00 H new ATOM 0 HB ILE A 99 8.006 0.901 5.707 1.00 0.00 H new ATOM 0 HG12 ILE A 99 9.273 -1.311 7.358 1.00 0.00 H new ATOM 0 HG13 ILE A 99 8.886 0.305 7.915 1.00 0.00 H new ATOM 0 HG21 ILE A 99 7.153 -1.320 5.068 1.00 0.00 H new ATOM 0 HG22 ILE A 99 8.200 -0.630 3.806 1.00 0.00 H new ATOM 0 HG23 ILE A 99 8.824 -1.904 4.880 1.00 0.00 H new ATOM 0 HD11 ILE A 99 7.203 -1.306 8.661 1.00 0.00 H new ATOM 0 HD12 ILE A 99 6.483 -0.126 7.540 1.00 0.00 H new ATOM 0 HD13 ILE A 99 6.877 -1.767 6.974 1.00 0.00 H new ATOM 1422 N THR A 100 11.683 -1.040 6.528 1.00 0.00 N ATOM 1423 CA THR A 100 12.567 -2.195 6.622 1.00 0.00 C ATOM 1424 C THR A 100 12.450 -2.867 7.985 1.00 0.00 C ATOM 1425 O THR A 100 12.564 -2.215 9.023 1.00 0.00 O ATOM 1426 CB THR A 100 14.036 -1.798 6.383 1.00 0.00 C ATOM 1427 OG1 THR A 100 14.531 -1.052 7.501 1.00 0.00 O ATOM 1428 CG2 THR A 100 14.174 -0.969 5.115 1.00 0.00 C ATOM 0 H THR A 100 11.654 -0.461 7.367 1.00 0.00 H new ATOM 0 HA THR A 100 12.256 -2.895 5.847 1.00 0.00 H new ATOM 0 HB THR A 100 14.620 -2.711 6.268 1.00 0.00 H new ATOM 0 HG1 THR A 100 14.023 -1.291 8.304 1.00 0.00 H new ATOM 0 HG21 THR A 100 15.220 -0.701 4.968 1.00 0.00 H new ATOM 0 HG22 THR A 100 13.824 -1.549 4.261 1.00 0.00 H new ATOM 0 HG23 THR A 100 13.576 -0.062 5.206 1.00 0.00 H new ATOM 1436 N PHE A 101 12.222 -4.177 7.976 1.00 0.00 N ATOM 1437 CA PHE A 101 12.090 -4.939 9.212 1.00 0.00 C ATOM 1438 C PHE A 101 12.704 -6.327 9.065 1.00 0.00 C ATOM 1439 O PHE A 101 13.279 -6.656 8.027 1.00 0.00 O ATOM 1440 CB PHE A 101 10.616 -5.061 9.605 1.00 0.00 C ATOM 1441 CG PHE A 101 9.687 -5.149 8.428 1.00 0.00 C ATOM 1442 CD1 PHE A 101 9.242 -4.001 7.792 1.00 0.00 C ATOM 1443 CD2 PHE A 101 9.260 -6.380 7.957 1.00 0.00 C ATOM 1444 CE1 PHE A 101 8.387 -4.080 6.710 1.00 0.00 C ATOM 1445 CE2 PHE A 101 8.405 -6.465 6.874 1.00 0.00 C ATOM 1446 CZ PHE A 101 7.969 -5.313 6.249 1.00 0.00 C ATOM 0 H PHE A 101 12.125 -4.732 7.126 1.00 0.00 H new ATOM 0 HA PHE A 101 12.626 -4.406 9.997 1.00 0.00 H new ATOM 0 HB2 PHE A 101 10.486 -5.947 10.227 1.00 0.00 H new ATOM 0 HB3 PHE A 101 10.338 -4.200 10.214 1.00 0.00 H new ATOM 0 HD1 PHE A 101 9.567 -3.034 8.146 1.00 0.00 H new ATOM 0 HD2 PHE A 101 9.599 -7.284 8.442 1.00 0.00 H new ATOM 0 HE1 PHE A 101 8.045 -3.178 6.225 1.00 0.00 H new ATOM 0 HE2 PHE A 101 8.078 -7.431 6.517 1.00 0.00 H new ATOM 0 HZ PHE A 101 7.303 -5.376 5.402 1.00 0.00 H new ATOM 1456 N ALA A 102 12.581 -7.137 10.111 1.00 0.00 N ATOM 1457 CA ALA A 102 13.124 -8.490 10.098 1.00 0.00 C ATOM 1458 C ALA A 102 12.244 -9.425 9.276 1.00 0.00 C ATOM 1459 O ALA A 102 11.064 -9.153 9.058 1.00 0.00 O ATOM 1460 CB ALA A 102 13.270 -9.013 11.519 1.00 0.00 C ATOM 0 H ALA A 102 12.110 -6.880 10.978 1.00 0.00 H new ATOM 0 HA ALA A 102 14.109 -8.456 9.632 1.00 0.00 H new ATOM 0 HB1 ALA A 102 13.676 -10.024 11.495 1.00 0.00 H new ATOM 0 HB2 ALA A 102 13.944 -8.364 12.078 1.00 0.00 H new ATOM 0 HB3 ALA A 102 12.294 -9.026 12.004 1.00 0.00 H new ATOM 1466 N ALA A 103 12.827 -10.530 8.821 1.00 0.00 N ATOM 1467 CA ALA A 103 12.096 -11.506 8.023 1.00 0.00 C ATOM 1468 C ALA A 103 10.920 -12.085 8.805 1.00 0.00 C ATOM 1469 O ALA A 103 11.106 -12.757 9.820 1.00 0.00 O ATOM 1470 CB ALA A 103 13.028 -12.620 7.568 1.00 0.00 C ATOM 0 H ALA A 103 13.803 -10.771 8.992 1.00 0.00 H new ATOM 0 HA ALA A 103 11.700 -10.996 7.145 1.00 0.00 H new ATOM 0 HB1 ALA A 103 12.469 -13.342 6.973 1.00 0.00 H new ATOM 0 HB2 ALA A 103 13.832 -12.198 6.965 1.00 0.00 H new ATOM 0 HB3 ALA A 103 13.452 -13.119 8.440 1.00 0.00 H new ATOM 1476 N THR A 104 9.709 -11.817 8.326 1.00 0.00 N ATOM 1477 CA THR A 104 8.503 -12.309 8.981 1.00 0.00 C ATOM 1478 C THR A 104 7.495 -12.824 7.961 1.00 0.00 C ATOM 1479 O THR A 104 7.365 -12.272 6.869 1.00 0.00 O ATOM 1480 CB THR A 104 7.840 -11.210 9.833 1.00 0.00 C ATOM 1481 OG1 THR A 104 7.913 -9.951 9.154 1.00 0.00 O ATOM 1482 CG2 THR A 104 8.512 -11.099 11.193 1.00 0.00 C ATOM 0 H THR A 104 9.537 -11.262 7.487 1.00 0.00 H new ATOM 0 HA THR A 104 8.807 -13.129 9.632 1.00 0.00 H new ATOM 0 HB THR A 104 6.795 -11.480 9.984 1.00 0.00 H new ATOM 0 HG1 THR A 104 8.830 -9.609 9.197 1.00 0.00 H new ATOM 0 HG21 THR A 104 8.026 -10.317 11.776 1.00 0.00 H new ATOM 0 HG22 THR A 104 8.427 -12.050 11.720 1.00 0.00 H new ATOM 0 HG23 THR A 104 9.565 -10.851 11.059 1.00 0.00 H new ATOM 1490 N ASN A 105 6.782 -13.885 8.326 1.00 0.00 N ATOM 1491 CA ASN A 105 5.784 -14.476 7.440 1.00 0.00 C ATOM 1492 C ASN A 105 4.442 -13.765 7.584 1.00 0.00 C ATOM 1493 O ASN A 105 3.986 -13.496 8.695 1.00 0.00 O ATOM 1494 CB ASN A 105 5.620 -15.966 7.745 1.00 0.00 C ATOM 1495 CG ASN A 105 5.602 -16.253 9.234 1.00 0.00 C ATOM 1496 OD1 ASN A 105 4.696 -15.828 9.948 1.00 0.00 O ATOM 1497 ND2 ASN A 105 6.608 -16.980 9.708 1.00 0.00 N ATOM 0 H ASN A 105 6.876 -14.353 9.228 1.00 0.00 H new ATOM 0 HA ASN A 105 6.130 -14.359 6.413 1.00 0.00 H new ATOM 0 HB2 ASN A 105 4.694 -16.326 7.297 1.00 0.00 H new ATOM 0 HB3 ASN A 105 6.435 -16.521 7.281 1.00 0.00 H new ATOM 0 HD21 ASN A 105 6.650 -17.206 10.702 1.00 0.00 H new ATOM 0 HD22 ASN A 105 7.339 -17.312 9.078 1.00 0.00 H new ATOM 1504 N ALA A 106 3.813 -13.466 6.452 1.00 0.00 N ATOM 1505 CA ALA A 106 2.521 -12.790 6.452 1.00 0.00 C ATOM 1506 C ALA A 106 1.754 -13.073 5.165 1.00 0.00 C ATOM 1507 O ALA A 106 2.303 -13.624 4.210 1.00 0.00 O ATOM 1508 CB ALA A 106 2.710 -11.291 6.637 1.00 0.00 C ATOM 0 H ALA A 106 4.177 -13.681 5.524 1.00 0.00 H new ATOM 0 HA ALA A 106 1.936 -13.177 7.286 1.00 0.00 H new ATOM 0 HB1 ALA A 106 1.738 -10.799 6.635 1.00 0.00 H new ATOM 0 HB2 ALA A 106 3.211 -11.102 7.587 1.00 0.00 H new ATOM 0 HB3 ALA A 106 3.317 -10.898 5.822 1.00 0.00 H new ATOM 1514 N LYS A 107 0.480 -12.695 5.146 1.00 0.00 N ATOM 1515 CA LYS A 107 -0.364 -12.908 3.977 1.00 0.00 C ATOM 1516 C LYS A 107 -0.346 -11.687 3.063 1.00 0.00 C ATOM 1517 O LYS A 107 0.378 -11.655 2.067 1.00 0.00 O ATOM 1518 CB LYS A 107 -1.801 -13.214 4.408 1.00 0.00 C ATOM 1519 CG LYS A 107 -2.023 -14.665 4.797 1.00 0.00 C ATOM 1520 CD LYS A 107 -3.040 -15.337 3.890 1.00 0.00 C ATOM 1521 CE LYS A 107 -3.196 -16.812 4.225 1.00 0.00 C ATOM 1522 NZ LYS A 107 -4.127 -17.498 3.286 1.00 0.00 N ATOM 0 H LYS A 107 0.010 -12.239 5.928 1.00 0.00 H new ATOM 0 HA LYS A 107 0.033 -13.760 3.425 1.00 0.00 H new ATOM 0 HB2 LYS A 107 -2.062 -12.576 5.253 1.00 0.00 H new ATOM 0 HB3 LYS A 107 -2.478 -12.957 3.593 1.00 0.00 H new ATOM 0 HG2 LYS A 107 -1.077 -15.205 4.747 1.00 0.00 H new ATOM 0 HG3 LYS A 107 -2.366 -14.717 5.830 1.00 0.00 H new ATOM 0 HD2 LYS A 107 -4.003 -14.837 3.988 1.00 0.00 H new ATOM 0 HD3 LYS A 107 -2.729 -15.230 2.851 1.00 0.00 H new ATOM 0 HE2 LYS A 107 -2.221 -17.298 4.189 1.00 0.00 H new ATOM 0 HE3 LYS A 107 -3.567 -16.916 5.245 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 -4.919 -17.909 3.821 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 -4.494 -16.811 2.597 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 -3.619 -18.254 2.784 1.00 0.00 H new ATOM 1536 N PHE A 108 -1.145 -10.682 3.408 1.00 0.00 N ATOM 1537 CA PHE A 108 -1.220 -9.458 2.619 1.00 0.00 C ATOM 1538 C PHE A 108 -0.773 -8.254 3.442 1.00 0.00 C ATOM 1539 O PHE A 108 -0.752 -8.300 4.671 1.00 0.00 O ATOM 1540 CB PHE A 108 -2.646 -9.243 2.109 1.00 0.00 C ATOM 1541 CG PHE A 108 -3.284 -10.489 1.565 1.00 0.00 C ATOM 1542 CD1 PHE A 108 -2.520 -11.449 0.920 1.00 0.00 C ATOM 1543 CD2 PHE A 108 -4.646 -10.701 1.699 1.00 0.00 C ATOM 1544 CE1 PHE A 108 -3.104 -12.598 0.419 1.00 0.00 C ATOM 1545 CE2 PHE A 108 -5.236 -11.848 1.201 1.00 0.00 C ATOM 1546 CZ PHE A 108 -4.463 -12.796 0.559 1.00 0.00 C ATOM 0 H PHE A 108 -1.750 -10.692 4.229 1.00 0.00 H new ATOM 0 HA PHE A 108 -0.549 -9.561 1.766 1.00 0.00 H new ATOM 0 HB2 PHE A 108 -3.260 -8.856 2.923 1.00 0.00 H new ATOM 0 HB3 PHE A 108 -2.633 -8.481 1.329 1.00 0.00 H new ATOM 0 HD1 PHE A 108 -1.457 -11.298 0.807 1.00 0.00 H new ATOM 0 HD2 PHE A 108 -5.255 -9.962 2.198 1.00 0.00 H new ATOM 0 HE1 PHE A 108 -2.498 -13.339 -0.081 1.00 0.00 H new ATOM 0 HE2 PHE A 108 -6.299 -12.002 1.314 1.00 0.00 H new ATOM 0 HZ PHE A 108 -4.922 -13.692 0.167 1.00 0.00 H new ATOM 1556 N VAL A 109 -0.418 -7.173 2.753 1.00 0.00 N ATOM 1557 CA VAL A 109 0.028 -5.955 3.418 1.00 0.00 C ATOM 1558 C VAL A 109 -0.999 -4.839 3.265 1.00 0.00 C ATOM 1559 O VAL A 109 -1.715 -4.773 2.265 1.00 0.00 O ATOM 1560 CB VAL A 109 1.380 -5.474 2.860 1.00 0.00 C ATOM 1561 CG1 VAL A 109 1.945 -4.354 3.721 1.00 0.00 C ATOM 1562 CG2 VAL A 109 2.362 -6.633 2.769 1.00 0.00 C ATOM 0 H VAL A 109 -0.431 -7.117 1.735 1.00 0.00 H new ATOM 0 HA VAL A 109 0.145 -6.195 4.475 1.00 0.00 H new ATOM 0 HB VAL A 109 1.220 -5.083 1.855 1.00 0.00 H new ATOM 0 HG11 VAL A 109 2.901 -4.027 3.311 1.00 0.00 H new ATOM 0 HG12 VAL A 109 1.248 -3.516 3.731 1.00 0.00 H new ATOM 0 HG13 VAL A 109 2.091 -4.716 4.739 1.00 0.00 H new ATOM 0 HG21 VAL A 109 3.312 -6.275 2.373 1.00 0.00 H new ATOM 0 HG22 VAL A 109 2.519 -7.056 3.761 1.00 0.00 H new ATOM 0 HG23 VAL A 109 1.959 -7.400 2.108 1.00 0.00 H new ATOM 1572 N ARG A 110 -1.064 -3.961 4.260 1.00 0.00 N ATOM 1573 CA ARG A 110 -2.004 -2.847 4.237 1.00 0.00 C ATOM 1574 C ARG A 110 -1.336 -1.561 4.716 1.00 0.00 C ATOM 1575 O ARG A 110 -0.762 -1.516 5.804 1.00 0.00 O ATOM 1576 CB ARG A 110 -3.220 -3.159 5.110 1.00 0.00 C ATOM 1577 CG ARG A 110 -3.870 -4.496 4.795 1.00 0.00 C ATOM 1578 CD ARG A 110 -5.361 -4.344 4.535 1.00 0.00 C ATOM 1579 NE ARG A 110 -5.870 -5.381 3.642 1.00 0.00 N ATOM 1580 CZ ARG A 110 -6.229 -6.592 4.053 1.00 0.00 C ATOM 1581 NH1 ARG A 110 -6.136 -6.916 5.336 1.00 0.00 N ATOM 1582 NH2 ARG A 110 -6.683 -7.483 3.180 1.00 0.00 N ATOM 0 H ARG A 110 -0.476 -4.000 5.093 1.00 0.00 H new ATOM 0 HA ARG A 110 -2.332 -2.703 3.208 1.00 0.00 H new ATOM 0 HB2 ARG A 110 -2.917 -3.150 6.157 1.00 0.00 H new ATOM 0 HB3 ARG A 110 -3.959 -2.367 4.985 1.00 0.00 H new ATOM 0 HG2 ARG A 110 -3.391 -4.938 3.922 1.00 0.00 H new ATOM 0 HG3 ARG A 110 -3.713 -5.183 5.627 1.00 0.00 H new ATOM 0 HD2 ARG A 110 -5.900 -4.385 5.482 1.00 0.00 H new ATOM 0 HD3 ARG A 110 -5.555 -3.364 4.100 1.00 0.00 H new ATOM 0 HE ARG A 110 -5.954 -5.164 2.649 1.00 0.00 H new ATOM 0 HH11 ARG A 110 -5.788 -6.234 6.010 1.00 0.00 H new ATOM 0 HH12 ARG A 110 -6.413 -7.847 5.648 1.00 0.00 H new ATOM 0 HH21 ARG A 110 -6.756 -7.238 2.193 1.00 0.00 H new ATOM 0 HH22 ARG A 110 -6.958 -8.413 3.497 1.00 0.00 H new ATOM 1596 N VAL A 111 -1.413 -0.519 3.896 1.00 0.00 N ATOM 1597 CA VAL A 111 -0.817 0.768 4.235 1.00 0.00 C ATOM 1598 C VAL A 111 -1.869 1.870 4.267 1.00 0.00 C ATOM 1599 O VAL A 111 -2.713 1.963 3.375 1.00 0.00 O ATOM 1600 CB VAL A 111 0.289 1.155 3.236 1.00 0.00 C ATOM 1601 CG1 VAL A 111 1.016 2.406 3.704 1.00 0.00 C ATOM 1602 CG2 VAL A 111 1.262 0.002 3.045 1.00 0.00 C ATOM 0 H VAL A 111 -1.883 -0.540 2.991 1.00 0.00 H new ATOM 0 HA VAL A 111 -0.378 0.662 5.227 1.00 0.00 H new ATOM 0 HB VAL A 111 -0.174 1.372 2.273 1.00 0.00 H new ATOM 0 HG11 VAL A 111 1.794 2.665 2.986 1.00 0.00 H new ATOM 0 HG12 VAL A 111 0.307 3.230 3.784 1.00 0.00 H new ATOM 0 HG13 VAL A 111 1.468 2.221 4.678 1.00 0.00 H new ATOM 0 HG21 VAL A 111 2.037 0.293 2.336 1.00 0.00 H new ATOM 0 HG22 VAL A 111 1.721 -0.249 4.001 1.00 0.00 H new ATOM 0 HG23 VAL A 111 0.726 -0.866 2.661 1.00 0.00 H new ATOM 1612 N TYR A 112 -1.813 2.706 5.298 1.00 0.00 N ATOM 1613 CA TYR A 112 -2.762 3.802 5.446 1.00 0.00 C ATOM 1614 C TYR A 112 -2.055 5.080 5.886 1.00 0.00 C ATOM 1615 O TYR A 112 -0.939 5.038 6.406 1.00 0.00 O ATOM 1616 CB TYR A 112 -3.847 3.432 6.459 1.00 0.00 C ATOM 1617 CG TYR A 112 -3.403 3.570 7.898 1.00 0.00 C ATOM 1618 CD1 TYR A 112 -3.548 4.773 8.578 1.00 0.00 C ATOM 1619 CD2 TYR A 112 -2.838 2.497 8.577 1.00 0.00 C ATOM 1620 CE1 TYR A 112 -3.144 4.903 9.892 1.00 0.00 C ATOM 1621 CE2 TYR A 112 -2.433 2.619 9.892 1.00 0.00 C ATOM 1622 CZ TYR A 112 -2.587 3.824 10.545 1.00 0.00 C ATOM 1623 OH TYR A 112 -2.183 3.949 11.854 1.00 0.00 O ATOM 0 H TYR A 112 -1.120 2.645 6.044 1.00 0.00 H new ATOM 0 HA TYR A 112 -3.225 3.980 4.476 1.00 0.00 H new ATOM 0 HB2 TYR A 112 -4.718 4.066 6.294 1.00 0.00 H new ATOM 0 HB3 TYR A 112 -4.163 2.404 6.282 1.00 0.00 H new ATOM 0 HD1 TYR A 112 -3.984 5.621 8.070 1.00 0.00 H new ATOM 0 HD2 TYR A 112 -2.714 1.552 8.068 1.00 0.00 H new ATOM 0 HE1 TYR A 112 -3.264 5.845 10.406 1.00 0.00 H new ATOM 0 HE2 TYR A 112 -1.998 1.775 10.406 1.00 0.00 H new ATOM 0 HH TYR A 112 -1.813 3.096 12.165 1.00 0.00 H new ATOM 1633 N ALA A 113 -2.710 6.216 5.673 1.00 0.00 N ATOM 1634 CA ALA A 113 -2.147 7.506 6.050 1.00 0.00 C ATOM 1635 C ALA A 113 -3.189 8.381 6.739 1.00 0.00 C ATOM 1636 O ALA A 113 -4.249 7.901 7.144 1.00 0.00 O ATOM 1637 CB ALA A 113 -1.587 8.215 4.825 1.00 0.00 C ATOM 0 H ALA A 113 -3.632 6.269 5.241 1.00 0.00 H new ATOM 0 HA ALA A 113 -1.336 7.328 6.757 1.00 0.00 H new ATOM 0 HB1 ALA A 113 -1.170 9.177 5.121 1.00 0.00 H new ATOM 0 HB2 ALA A 113 -0.805 7.603 4.376 1.00 0.00 H new ATOM 0 HB3 ALA A 113 -2.385 8.373 4.100 1.00 0.00 H new ATOM 1643 N THR A 114 -2.882 9.667 6.870 1.00 0.00 N ATOM 1644 CA THR A 114 -3.791 10.608 7.512 1.00 0.00 C ATOM 1645 C THR A 114 -3.628 12.010 6.936 1.00 0.00 C ATOM 1646 O THR A 114 -3.687 13.003 7.663 1.00 0.00 O ATOM 1647 CB THR A 114 -3.561 10.661 9.035 1.00 0.00 C ATOM 1648 OG1 THR A 114 -4.505 11.552 9.642 1.00 0.00 O ATOM 1649 CG2 THR A 114 -2.146 11.121 9.353 1.00 0.00 C ATOM 0 H THR A 114 -2.010 10.081 6.540 1.00 0.00 H new ATOM 0 HA THR A 114 -4.803 10.253 7.317 1.00 0.00 H new ATOM 0 HB THR A 114 -3.699 9.657 9.436 1.00 0.00 H new ATOM 0 HG1 THR A 114 -4.467 12.423 9.195 1.00 0.00 H new ATOM 0 HG21 THR A 114 -2.007 11.151 10.434 1.00 0.00 H new ATOM 0 HG22 THR A 114 -1.430 10.426 8.914 1.00 0.00 H new ATOM 0 HG23 THR A 114 -1.985 12.117 8.939 1.00 0.00 H new ATOM 1657 N THR A 115 -3.426 12.086 5.624 1.00 0.00 N ATOM 1658 CA THR A 115 -3.254 13.367 4.950 1.00 0.00 C ATOM 1659 C THR A 115 -3.937 13.366 3.588 1.00 0.00 C ATOM 1660 O THR A 115 -3.938 12.356 2.883 1.00 0.00 O ATOM 1661 CB THR A 115 -1.764 13.709 4.765 1.00 0.00 C ATOM 1662 OG1 THR A 115 -1.159 13.969 6.037 1.00 0.00 O ATOM 1663 CG2 THR A 115 -1.596 14.921 3.860 1.00 0.00 C ATOM 0 H THR A 115 -3.378 11.275 5.007 1.00 0.00 H new ATOM 0 HA THR A 115 -3.716 14.123 5.585 1.00 0.00 H new ATOM 0 HB THR A 115 -1.273 12.855 4.298 1.00 0.00 H new ATOM 0 HG1 THR A 115 -1.372 14.883 6.320 1.00 0.00 H new ATOM 0 HG21 THR A 115 -0.535 15.144 3.744 1.00 0.00 H new ATOM 0 HG22 THR A 115 -2.031 14.709 2.883 1.00 0.00 H new ATOM 0 HG23 THR A 115 -2.101 15.779 4.304 1.00 0.00 H new ATOM 1671 N ARG A 116 -4.517 14.505 3.221 1.00 0.00 N ATOM 1672 CA ARG A 116 -5.204 14.635 1.942 1.00 0.00 C ATOM 1673 C ARG A 116 -4.210 14.909 0.816 1.00 0.00 C ATOM 1674 O ARG A 116 -3.000 14.772 0.996 1.00 0.00 O ATOM 1675 CB ARG A 116 -6.239 15.758 2.006 1.00 0.00 C ATOM 1676 CG ARG A 116 -7.028 15.785 3.306 1.00 0.00 C ATOM 1677 CD ARG A 116 -6.616 16.956 4.184 1.00 0.00 C ATOM 1678 NE ARG A 116 -6.484 16.570 5.586 1.00 0.00 N ATOM 1679 CZ ARG A 116 -7.518 16.400 6.402 1.00 0.00 C ATOM 1680 NH1 ARG A 116 -8.754 16.582 5.957 1.00 0.00 N ATOM 1681 NH2 ARG A 116 -7.318 16.048 7.666 1.00 0.00 N ATOM 0 H ARG A 116 -4.524 15.350 3.792 1.00 0.00 H new ATOM 0 HA ARG A 116 -5.712 13.693 1.734 1.00 0.00 H new ATOM 0 HB2 ARG A 116 -5.733 16.715 1.878 1.00 0.00 H new ATOM 0 HB3 ARG A 116 -6.932 15.650 1.172 1.00 0.00 H new ATOM 0 HG2 ARG A 116 -8.093 15.852 3.085 1.00 0.00 H new ATOM 0 HG3 ARG A 116 -6.873 14.851 3.847 1.00 0.00 H new ATOM 0 HD2 ARG A 116 -5.668 17.359 3.828 1.00 0.00 H new ATOM 0 HD3 ARG A 116 -7.355 17.753 4.096 1.00 0.00 H new ATOM 0 HE ARG A 116 -5.546 16.423 5.959 1.00 0.00 H new ATOM 0 HH11 ARG A 116 -8.912 16.853 4.986 1.00 0.00 H new ATOM 0 HH12 ARG A 116 -9.547 16.451 6.585 1.00 0.00 H new ATOM 0 HH21 ARG A 116 -6.369 15.908 8.012 1.00 0.00 H new ATOM 0 HH22 ARG A 116 -8.113 15.918 8.291 1.00 0.00 H new ATOM 1695 N ALA A 117 -4.730 15.296 -0.344 1.00 0.00 N ATOM 1696 CA ALA A 117 -3.889 15.592 -1.497 1.00 0.00 C ATOM 1697 C ALA A 117 -4.455 16.754 -2.306 1.00 0.00 C ATOM 1698 O ALA A 117 -5.046 16.556 -3.369 1.00 0.00 O ATOM 1699 CB ALA A 117 -3.745 14.356 -2.374 1.00 0.00 C ATOM 0 H ALA A 117 -5.730 15.412 -0.510 1.00 0.00 H new ATOM 0 HA ALA A 117 -2.904 15.884 -1.133 1.00 0.00 H new ATOM 0 HB1 ALA A 117 -3.115 14.590 -3.232 1.00 0.00 H new ATOM 0 HB2 ALA A 117 -3.289 13.552 -1.797 1.00 0.00 H new ATOM 0 HB3 ALA A 117 -4.729 14.040 -2.722 1.00 0.00 H new ATOM 1705 N THR A 118 -4.271 17.968 -1.798 1.00 0.00 N ATOM 1706 CA THR A 118 -4.765 19.162 -2.471 1.00 0.00 C ATOM 1707 C THR A 118 -4.389 19.154 -3.949 1.00 0.00 C ATOM 1708 O THR A 118 -5.136 19.653 -4.791 1.00 0.00 O ATOM 1709 CB THR A 118 -4.213 20.445 -1.820 1.00 0.00 C ATOM 1710 OG1 THR A 118 -3.877 20.192 -0.451 1.00 0.00 O ATOM 1711 CG2 THR A 118 -5.230 21.573 -1.899 1.00 0.00 C ATOM 0 H THR A 118 -3.783 18.150 -0.921 1.00 0.00 H new ATOM 0 HA THR A 118 -5.851 19.153 -2.374 1.00 0.00 H new ATOM 0 HB THR A 118 -3.318 20.747 -2.364 1.00 0.00 H new ATOM 0 HG1 THR A 118 -2.905 20.242 -0.338 1.00 0.00 H new ATOM 0 HG21 THR A 118 -4.818 22.468 -1.433 1.00 0.00 H new ATOM 0 HG22 THR A 118 -5.462 21.782 -2.943 1.00 0.00 H new ATOM 0 HG23 THR A 118 -6.141 21.279 -1.377 1.00 0.00 H new ATOM 1719 N ALA A 119 -3.228 18.586 -4.257 1.00 0.00 N ATOM 1720 CA ALA A 119 -2.755 18.511 -5.634 1.00 0.00 C ATOM 1721 C ALA A 119 -3.667 17.628 -6.480 1.00 0.00 C ATOM 1722 O ALA A 119 -4.593 18.117 -7.127 1.00 0.00 O ATOM 1723 CB ALA A 119 -1.327 17.989 -5.674 1.00 0.00 C ATOM 0 H ALA A 119 -2.597 18.171 -3.571 1.00 0.00 H new ATOM 0 HA ALA A 119 -2.774 19.517 -6.054 1.00 0.00 H new ATOM 0 HB1 ALA A 119 -0.987 17.938 -6.708 1.00 0.00 H new ATOM 0 HB2 ALA A 119 -0.678 18.660 -5.111 1.00 0.00 H new ATOM 0 HB3 ALA A 119 -1.291 16.994 -5.231 1.00 0.00 H new ATOM 1729 N TYR A 120 -3.399 16.328 -6.470 1.00 0.00 N ATOM 1730 CA TYR A 120 -4.193 15.377 -7.239 1.00 0.00 C ATOM 1731 C TYR A 120 -4.922 14.405 -6.317 1.00 0.00 C ATOM 1732 O TYR A 120 -6.138 14.484 -6.151 1.00 0.00 O ATOM 1733 CB TYR A 120 -3.300 14.604 -8.212 1.00 0.00 C ATOM 1734 CG TYR A 120 -4.069 13.885 -9.297 1.00 0.00 C ATOM 1735 CD1 TYR A 120 -4.828 12.757 -9.009 1.00 0.00 C ATOM 1736 CD2 TYR A 120 -4.036 14.333 -10.612 1.00 0.00 C ATOM 1737 CE1 TYR A 120 -5.530 12.097 -9.997 1.00 0.00 C ATOM 1738 CE2 TYR A 120 -4.736 13.680 -11.607 1.00 0.00 C ATOM 1739 CZ TYR A 120 -5.482 12.562 -11.295 1.00 0.00 C ATOM 1740 OH TYR A 120 -6.182 11.907 -12.283 1.00 0.00 O ATOM 0 H TYR A 120 -2.637 15.908 -5.937 1.00 0.00 H new ATOM 0 HA TYR A 120 -4.936 15.937 -7.806 1.00 0.00 H new ATOM 0 HB2 TYR A 120 -2.596 15.296 -8.675 1.00 0.00 H new ATOM 0 HB3 TYR A 120 -2.711 13.877 -7.653 1.00 0.00 H new ATOM 0 HD1 TYR A 120 -4.869 12.390 -7.994 1.00 0.00 H new ATOM 0 HD2 TYR A 120 -3.453 15.207 -10.860 1.00 0.00 H new ATOM 0 HE1 TYR A 120 -6.114 11.221 -9.755 1.00 0.00 H new ATOM 0 HE2 TYR A 120 -4.700 14.042 -12.624 1.00 0.00 H new ATOM 0 HH TYR A 120 -7.138 12.104 -12.193 1.00 0.00 H new ATOM 1750 N GLY A 121 -4.169 13.488 -5.720 1.00 0.00 N ATOM 1751 CA GLY A 121 -4.759 12.512 -4.822 1.00 0.00 C ATOM 1752 C GLY A 121 -3.734 11.548 -4.259 1.00 0.00 C ATOM 1753 O GLY A 121 -2.772 11.962 -3.610 1.00 0.00 O ATOM 0 H GLY A 121 -3.160 13.403 -5.842 1.00 0.00 H new ATOM 0 HA2 GLY A 121 -5.254 13.031 -4.001 1.00 0.00 H new ATOM 0 HA3 GLY A 121 -5.527 11.951 -5.354 1.00 0.00 H new ATOM 1757 N TYR A 122 -3.939 10.259 -4.504 1.00 0.00 N ATOM 1758 CA TYR A 122 -3.028 9.232 -4.013 1.00 0.00 C ATOM 1759 C TYR A 122 -2.437 8.430 -5.168 1.00 0.00 C ATOM 1760 O TYR A 122 -3.163 7.786 -5.927 1.00 0.00 O ATOM 1761 CB TYR A 122 -3.755 8.295 -3.046 1.00 0.00 C ATOM 1762 CG TYR A 122 -2.839 7.316 -2.349 1.00 0.00 C ATOM 1763 CD1 TYR A 122 -1.577 7.703 -1.914 1.00 0.00 C ATOM 1764 CD2 TYR A 122 -3.233 6.002 -2.125 1.00 0.00 C ATOM 1765 CE1 TYR A 122 -0.736 6.812 -1.276 1.00 0.00 C ATOM 1766 CE2 TYR A 122 -2.400 5.105 -1.488 1.00 0.00 C ATOM 1767 CZ TYR A 122 -1.152 5.513 -1.065 1.00 0.00 C ATOM 1768 OH TYR A 122 -0.318 4.621 -0.431 1.00 0.00 O ATOM 0 H TYR A 122 -4.729 9.900 -5.040 1.00 0.00 H new ATOM 0 HA TYR A 122 -2.214 9.728 -3.485 1.00 0.00 H new ATOM 0 HB2 TYR A 122 -4.274 8.892 -2.296 1.00 0.00 H new ATOM 0 HB3 TYR A 122 -4.516 7.740 -3.594 1.00 0.00 H new ATOM 0 HD1 TYR A 122 -1.248 8.719 -2.078 1.00 0.00 H new ATOM 0 HD2 TYR A 122 -4.209 5.677 -2.455 1.00 0.00 H new ATOM 0 HE1 TYR A 122 0.241 7.130 -0.944 1.00 0.00 H new ATOM 0 HE2 TYR A 122 -2.724 4.088 -1.321 1.00 0.00 H new ATOM 0 HH TYR A 122 -0.674 4.416 0.459 1.00 0.00 H new ATOM 1778 N SER A 123 -1.115 8.475 -5.296 1.00 0.00 N ATOM 1779 CA SER A 123 -0.426 7.755 -6.361 1.00 0.00 C ATOM 1780 C SER A 123 0.803 7.030 -5.819 1.00 0.00 C ATOM 1781 O SER A 123 1.511 7.546 -4.952 1.00 0.00 O ATOM 1782 CB SER A 123 -0.012 8.721 -7.472 1.00 0.00 C ATOM 1783 OG SER A 123 0.949 8.130 -8.330 1.00 0.00 O ATOM 0 H SER A 123 -0.500 9.002 -4.676 1.00 0.00 H new ATOM 0 HA SER A 123 -1.113 7.014 -6.770 1.00 0.00 H new ATOM 0 HB2 SER A 123 -0.889 9.013 -8.050 1.00 0.00 H new ATOM 0 HB3 SER A 123 0.398 9.631 -7.033 1.00 0.00 H new ATOM 0 HG SER A 123 0.505 7.495 -8.930 1.00 0.00 H new ATOM 1789 N LEU A 124 1.050 5.831 -6.335 1.00 0.00 N ATOM 1790 CA LEU A 124 2.193 5.034 -5.905 1.00 0.00 C ATOM 1791 C LEU A 124 2.741 4.200 -7.059 1.00 0.00 C ATOM 1792 O LEU A 124 2.635 2.974 -7.056 1.00 0.00 O ATOM 1793 CB LEU A 124 1.794 4.119 -4.745 1.00 0.00 C ATOM 1794 CG LEU A 124 0.333 3.666 -4.719 1.00 0.00 C ATOM 1795 CD1 LEU A 124 0.018 2.813 -5.939 1.00 0.00 C ATOM 1796 CD2 LEU A 124 0.034 2.900 -3.439 1.00 0.00 C ATOM 0 H LEU A 124 0.474 5.390 -7.052 1.00 0.00 H new ATOM 0 HA LEU A 124 2.975 5.716 -5.570 1.00 0.00 H new ATOM 0 HB2 LEU A 124 2.428 3.233 -4.773 1.00 0.00 H new ATOM 0 HB3 LEU A 124 2.010 4.636 -3.810 1.00 0.00 H new ATOM 0 HG LEU A 124 -0.303 4.551 -4.745 1.00 0.00 H new ATOM 0 HD11 LEU A 124 -1.025 2.499 -5.904 1.00 0.00 H new ATOM 0 HD12 LEU A 124 0.192 3.395 -6.844 1.00 0.00 H new ATOM 0 HD13 LEU A 124 0.661 1.933 -5.944 1.00 0.00 H new ATOM 0 HD21 LEU A 124 -1.010 2.586 -3.438 1.00 0.00 H new ATOM 0 HD22 LEU A 124 0.677 2.022 -3.382 1.00 0.00 H new ATOM 0 HD23 LEU A 124 0.220 3.543 -2.578 1.00 0.00 H new ATOM 1808 N TRP A 125 3.328 4.874 -8.041 1.00 0.00 N ATOM 1809 CA TRP A 125 3.895 4.195 -9.200 1.00 0.00 C ATOM 1810 C TRP A 125 5.165 3.439 -8.822 1.00 0.00 C ATOM 1811 O TRP A 125 5.693 2.661 -9.614 1.00 0.00 O ATOM 1812 CB TRP A 125 4.199 5.203 -10.309 1.00 0.00 C ATOM 1813 CG TRP A 125 2.989 5.953 -10.778 1.00 0.00 C ATOM 1814 CD1 TRP A 125 1.697 5.750 -10.386 1.00 0.00 C ATOM 1815 CD2 TRP A 125 2.958 7.025 -11.727 1.00 0.00 C ATOM 1816 NE1 TRP A 125 0.864 6.631 -11.035 1.00 0.00 N ATOM 1817 CE2 TRP A 125 1.615 7.424 -11.862 1.00 0.00 C ATOM 1818 CE3 TRP A 125 3.936 7.686 -12.475 1.00 0.00 C ATOM 1819 CZ2 TRP A 125 1.226 8.453 -12.716 1.00 0.00 C ATOM 1820 CZ3 TRP A 125 3.549 8.709 -13.322 1.00 0.00 C ATOM 1821 CH2 TRP A 125 2.204 9.084 -13.435 1.00 0.00 C ATOM 0 H TRP A 125 3.424 5.889 -8.058 1.00 0.00 H new ATOM 0 HA TRP A 125 3.161 3.476 -9.563 1.00 0.00 H new ATOM 0 HB2 TRP A 125 4.942 5.915 -9.949 1.00 0.00 H new ATOM 0 HB3 TRP A 125 4.643 4.679 -11.155 1.00 0.00 H new ATOM 0 HD1 TRP A 125 1.376 5.007 -9.671 1.00 0.00 H new ATOM 0 HE1 TRP A 125 -0.148 6.685 -10.919 1.00 0.00 H new ATOM 0 HE3 TRP A 125 4.975 7.403 -12.393 1.00 0.00 H new ATOM 0 HZ2 TRP A 125 0.190 8.742 -12.807 1.00 0.00 H new ATOM 0 HZ3 TRP A 125 4.296 9.227 -13.906 1.00 0.00 H new ATOM 0 HH2 TRP A 125 1.934 9.888 -14.104 1.00 0.00 H new ATOM 1832 N GLU A 126 5.649 3.675 -7.606 1.00 0.00 N ATOM 1833 CA GLU A 126 6.857 3.016 -7.124 1.00 0.00 C ATOM 1834 C GLU A 126 6.561 2.178 -5.883 1.00 0.00 C ATOM 1835 O GLU A 126 7.243 2.297 -4.864 1.00 0.00 O ATOM 1836 CB GLU A 126 7.938 4.052 -6.809 1.00 0.00 C ATOM 1837 CG GLU A 126 9.274 3.757 -7.470 1.00 0.00 C ATOM 1838 CD GLU A 126 9.902 4.990 -8.090 1.00 0.00 C ATOM 1839 OE1 GLU A 126 9.602 6.108 -7.624 1.00 0.00 O ATOM 1840 OE2 GLU A 126 10.695 4.835 -9.043 1.00 0.00 O ATOM 0 H GLU A 126 5.223 4.317 -6.938 1.00 0.00 H new ATOM 0 HA GLU A 126 7.218 2.353 -7.910 1.00 0.00 H new ATOM 0 HB2 GLU A 126 7.592 5.035 -7.130 1.00 0.00 H new ATOM 0 HB3 GLU A 126 8.079 4.101 -5.729 1.00 0.00 H new ATOM 0 HG2 GLU A 126 9.957 3.339 -6.730 1.00 0.00 H new ATOM 0 HG3 GLU A 126 9.135 2.998 -8.240 1.00 0.00 H new ATOM 1847 N PHE A 127 5.541 1.333 -5.976 1.00 0.00 N ATOM 1848 CA PHE A 127 5.155 0.476 -4.861 1.00 0.00 C ATOM 1849 C PHE A 127 5.524 -0.978 -5.138 1.00 0.00 C ATOM 1850 O PHE A 127 4.855 -1.662 -5.911 1.00 0.00 O ATOM 1851 CB PHE A 127 3.651 0.591 -4.600 1.00 0.00 C ATOM 1852 CG PHE A 127 3.250 0.175 -3.213 1.00 0.00 C ATOM 1853 CD1 PHE A 127 3.520 -1.104 -2.754 1.00 0.00 C ATOM 1854 CD2 PHE A 127 2.603 1.063 -2.369 1.00 0.00 C ATOM 1855 CE1 PHE A 127 3.151 -1.489 -1.479 1.00 0.00 C ATOM 1856 CE2 PHE A 127 2.232 0.684 -1.092 1.00 0.00 C ATOM 1857 CZ PHE A 127 2.508 -0.594 -0.647 1.00 0.00 C ATOM 0 H PHE A 127 4.966 1.223 -6.812 1.00 0.00 H new ATOM 0 HA PHE A 127 5.698 0.807 -3.976 1.00 0.00 H new ATOM 0 HB2 PHE A 127 3.339 1.622 -4.766 1.00 0.00 H new ATOM 0 HB3 PHE A 127 3.117 -0.024 -5.324 1.00 0.00 H new ATOM 0 HD1 PHE A 127 4.024 -1.808 -3.400 1.00 0.00 H new ATOM 0 HD2 PHE A 127 2.386 2.064 -2.713 1.00 0.00 H new ATOM 0 HE1 PHE A 127 3.365 -2.490 -1.134 1.00 0.00 H new ATOM 0 HE2 PHE A 127 1.728 1.386 -0.444 1.00 0.00 H new ATOM 0 HZ PHE A 127 2.221 -0.893 0.350 1.00 0.00 H new ATOM 1867 N GLU A 128 6.595 -1.441 -4.501 1.00 0.00 N ATOM 1868 CA GLU A 128 7.055 -2.814 -4.681 1.00 0.00 C ATOM 1869 C GLU A 128 6.986 -3.586 -3.366 1.00 0.00 C ATOM 1870 O GLU A 128 7.617 -3.211 -2.378 1.00 0.00 O ATOM 1871 CB GLU A 128 8.487 -2.829 -5.219 1.00 0.00 C ATOM 1872 CG GLU A 128 8.627 -3.538 -6.557 1.00 0.00 C ATOM 1873 CD GLU A 128 10.038 -3.471 -7.107 1.00 0.00 C ATOM 1874 OE1 GLU A 128 10.503 -2.352 -7.410 1.00 0.00 O ATOM 1875 OE2 GLU A 128 10.677 -4.536 -7.236 1.00 0.00 O ATOM 0 H GLU A 128 7.160 -0.887 -3.857 1.00 0.00 H new ATOM 0 HA GLU A 128 6.398 -3.299 -5.403 1.00 0.00 H new ATOM 0 HB2 GLU A 128 8.838 -1.802 -5.323 1.00 0.00 H new ATOM 0 HB3 GLU A 128 9.135 -3.315 -4.490 1.00 0.00 H new ATOM 0 HG2 GLU A 128 8.334 -4.582 -6.443 1.00 0.00 H new ATOM 0 HG3 GLU A 128 7.939 -3.091 -7.275 1.00 0.00 H new ATOM 1882 N VAL A 129 6.216 -4.670 -3.363 1.00 0.00 N ATOM 1883 CA VAL A 129 6.063 -5.496 -2.172 1.00 0.00 C ATOM 1884 C VAL A 129 5.956 -6.973 -2.538 1.00 0.00 C ATOM 1885 O VAL A 129 4.999 -7.393 -3.189 1.00 0.00 O ATOM 1886 CB VAL A 129 4.820 -5.088 -1.360 1.00 0.00 C ATOM 1887 CG1 VAL A 129 3.603 -4.980 -2.264 1.00 0.00 C ATOM 1888 CG2 VAL A 129 4.572 -6.079 -0.232 1.00 0.00 C ATOM 0 H VAL A 129 5.688 -4.996 -4.173 1.00 0.00 H new ATOM 0 HA VAL A 129 6.953 -5.339 -1.562 1.00 0.00 H new ATOM 0 HB VAL A 129 5.001 -4.108 -0.918 1.00 0.00 H new ATOM 0 HG11 VAL A 129 2.735 -4.691 -1.672 1.00 0.00 H new ATOM 0 HG12 VAL A 129 3.786 -4.228 -3.032 1.00 0.00 H new ATOM 0 HG13 VAL A 129 3.415 -5.944 -2.737 1.00 0.00 H new ATOM 0 HG21 VAL A 129 3.690 -5.775 0.332 1.00 0.00 H new ATOM 0 HG22 VAL A 129 4.411 -7.073 -0.650 1.00 0.00 H new ATOM 0 HG23 VAL A 129 5.437 -6.099 0.431 1.00 0.00 H new ATOM 1898 N TYR A 130 6.942 -7.755 -2.115 1.00 0.00 N ATOM 1899 CA TYR A 130 6.958 -9.185 -2.399 1.00 0.00 C ATOM 1900 C TYR A 130 8.203 -9.843 -1.809 1.00 0.00 C ATOM 1901 O TYR A 130 9.266 -9.229 -1.731 1.00 0.00 O ATOM 1902 CB TYR A 130 6.908 -9.427 -3.909 1.00 0.00 C ATOM 1903 CG TYR A 130 7.518 -10.743 -4.332 1.00 0.00 C ATOM 1904 CD1 TYR A 130 8.881 -10.854 -4.579 1.00 0.00 C ATOM 1905 CD2 TYR A 130 6.730 -11.878 -4.485 1.00 0.00 C ATOM 1906 CE1 TYR A 130 9.441 -12.054 -4.967 1.00 0.00 C ATOM 1907 CE2 TYR A 130 7.284 -13.085 -4.871 1.00 0.00 C ATOM 1908 CZ TYR A 130 8.639 -13.167 -5.112 1.00 0.00 C ATOM 1909 OH TYR A 130 9.195 -14.366 -5.497 1.00 0.00 O ATOM 0 H TYR A 130 7.741 -7.423 -1.574 1.00 0.00 H new ATOM 0 HA TYR A 130 6.078 -9.632 -1.936 1.00 0.00 H new ATOM 0 HB2 TYR A 130 5.870 -9.395 -4.239 1.00 0.00 H new ATOM 0 HB3 TYR A 130 7.429 -8.615 -4.416 1.00 0.00 H new ATOM 0 HD1 TYR A 130 9.513 -9.986 -4.465 1.00 0.00 H new ATOM 0 HD2 TYR A 130 5.668 -11.816 -4.299 1.00 0.00 H new ATOM 0 HE1 TYR A 130 10.502 -12.122 -5.156 1.00 0.00 H new ATOM 0 HE2 TYR A 130 6.659 -13.958 -4.983 1.00 0.00 H new ATOM 0 HH TYR A 130 8.494 -15.049 -5.551 1.00 0.00 H new ATOM 1919 N GLY A 131 8.061 -11.099 -1.397 1.00 0.00 N ATOM 1920 CA GLY A 131 9.180 -11.822 -0.821 1.00 0.00 C ATOM 1921 C GLY A 131 9.914 -12.667 -1.843 1.00 0.00 C ATOM 1922 O GLY A 131 11.137 -12.788 -1.795 1.00 0.00 O ATOM 0 H GLY A 131 7.191 -11.629 -1.452 1.00 0.00 H new ATOM 0 HA2 GLY A 131 9.876 -11.112 -0.375 1.00 0.00 H new ATOM 0 HA3 GLY A 131 8.819 -12.463 -0.017 1.00 0.00 H new TER 1926 GLY A 131