USER MOD reduce.3.24.130724 H: found=0, std=0, add=932, rem=0, adj=41 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 114 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 115 THR OG1 : rot -167:sc= -1.02 USER MOD Set 2.1: A 68 TYR OH : rot 180:sc= 0.0656 USER MOD Set 2.2: A 90 THR OG1 : rot 110:sc= 0.643 USER MOD Set 3.1: A 12 SER OG : rot -167:sc= 0.153! USER MOD Set 3.2: A 34 SER OG : rot -75:sc= -0.262 USER MOD Set 3.3: A 41 GLN : amide:sc= -0.354 K(o=-0.46,f=-3.9) USER MOD Single : A 1 ASN : amide:sc= -0.0423 K(o=-0.042,f=-1.1) USER MOD Single : A 1 ASN N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 ASN : amide:sc= -0.152 X(o=-0.15,f=-0.0042) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 THR OG1 : rot -127:sc= 0.446 USER MOD Single : A 10 THR OG1 : rot -136:sc= 0.913 USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 15 THR OG1 : rot -43:sc= 0.534 USER MOD Single : A 18 HIS : no HD1:sc= 0 X(o=0,f=-0.0069) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 ASN : amide:sc= -0.0389 X(o=-0.039,f=-0.28) USER MOD Single : A 30 THR OG1 : rot -4:sc= 0.426! USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 SER OG : rot -150:sc= -0.937 USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 ASN : amide:sc= -0.0449 K(o=-0.045,f=-4.4!) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 50 THR OG1 : rot 180:sc= 0.127 USER MOD Single : A 51 GLN : amide:sc= -0.846 K(o=-0.85,f=-1.7) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot 180:sc= 0.0712 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 ASN : amide:sc= -1.66 K(o=-1.7,f=-6.9!) USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 THR OG1 : rot -43:sc= 0.0164 USER MOD Single : A 69 SER OG : rot 19:sc= 0.0296 USER MOD Single : A 71 GLN : amide:sc= -2.78 K(o=-2.8,f=-1.7) USER MOD Single : A 73 SER OG : rot -11:sc= -1.4! USER MOD Single : A 74 ASN : amide:sc= -5.23! C(o=-5.2!,f=-2.8!) USER MOD Single : A 76 SER OG : rot -26:sc= 1 USER MOD Single : A 78 SER OG : rot 180:sc= 0 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= -0.0505 X(o=-0.051,f=-0.37) USER MOD Single : A 84 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 THR OG1 : rot 180:sc= 0.0526 USER MOD Single : A 87 TYR OH : rot 180:sc= 0 USER MOD Single : A 88 SER OG : rot 180:sc= -0.0315 USER MOD Single : A 89 THR OG1 : rot 180:sc= 0.285 USER MOD Single : A 91 THR OG1 : rot -59:sc= 1.21 USER MOD Single : A 100 THR OG1 : rot 180:sc= 0 USER MOD Single : A 104 THR OG1 : rot 180:sc= 0 USER MOD Single : A 105 ASN : amide:sc= -0.614 X(o=-0.61,f=-0.45) USER MOD Single : A 107 LYS NZ :NH3+ -113:sc= 0.907 (180deg=-0.0227) USER MOD Single : A 112 TYR OH : rot 180:sc= 0 USER MOD Single : A 118 THR OG1 : rot -103:sc= -1.73 USER MOD Single : A 120 TYR OH : rot 180:sc= 0 USER MOD Single : A 122 TYR OH : rot -61:sc= -0.024 USER MOD Single : A 123 SER OG : rot 180:sc= 0 USER MOD Single : A 130 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 1 -5.035 -12.312 -18.122 1.00 0.00 N ATOM 2 CA ASN A 1 -5.838 -11.174 -18.555 1.00 0.00 C ATOM 3 C ASN A 1 -5.669 -9.995 -17.602 1.00 0.00 C ATOM 4 O ASN A 1 -6.586 -9.649 -16.855 1.00 0.00 O ATOM 5 CB ASN A 1 -7.314 -11.568 -18.641 1.00 0.00 C ATOM 6 CG ASN A 1 -8.124 -10.599 -19.480 1.00 0.00 C ATOM 7 OD1 ASN A 1 -7.628 -10.049 -20.464 1.00 0.00 O ATOM 8 ND2 ASN A 1 -9.376 -10.386 -19.095 1.00 0.00 N ATOM 0 H1 ASN A 1 -5.166 -13.102 -18.786 1.00 0.00 H new ATOM 0 H2 ASN A 1 -4.031 -12.041 -18.101 1.00 0.00 H new ATOM 0 H3 ASN A 1 -5.334 -12.606 -17.170 1.00 0.00 H new ATOM 0 HA ASN A 1 -5.492 -10.872 -19.543 1.00 0.00 H new ATOM 0 HB2 ASN A 1 -7.396 -12.568 -19.066 1.00 0.00 H new ATOM 0 HB3 ASN A 1 -7.734 -11.613 -17.636 1.00 0.00 H new ATOM 0 HD21 ASN A 1 -9.969 -9.744 -19.621 1.00 0.00 H new ATOM 0 HD22 ASN A 1 -9.745 -10.864 -18.273 1.00 0.00 H new ATOM 15 N LEU A 2 -4.493 -9.379 -17.635 1.00 0.00 N ATOM 16 CA LEU A 2 -4.203 -8.237 -16.774 1.00 0.00 C ATOM 17 C LEU A 2 -4.482 -8.572 -15.312 1.00 0.00 C ATOM 18 O LEU A 2 -5.438 -8.070 -14.722 1.00 0.00 O ATOM 19 CB LEU A 2 -5.037 -7.028 -17.201 1.00 0.00 C ATOM 20 CG LEU A 2 -5.192 -6.817 -18.708 1.00 0.00 C ATOM 21 CD1 LEU A 2 -6.131 -5.654 -18.990 1.00 0.00 C ATOM 22 CD2 LEU A 2 -3.835 -6.577 -19.354 1.00 0.00 C ATOM 0 H LEU A 2 -3.725 -9.651 -18.248 1.00 0.00 H new ATOM 0 HA LEU A 2 -3.145 -7.995 -16.876 1.00 0.00 H new ATOM 0 HB2 LEU A 2 -6.031 -7.125 -16.764 1.00 0.00 H new ATOM 0 HB3 LEU A 2 -4.587 -6.132 -16.773 1.00 0.00 H new ATOM 0 HG LEU A 2 -5.624 -7.720 -19.140 1.00 0.00 H new ATOM 0 HD11 LEU A 2 -6.229 -5.519 -20.067 1.00 0.00 H new ATOM 0 HD12 LEU A 2 -7.110 -5.864 -18.560 1.00 0.00 H new ATOM 0 HD13 LEU A 2 -5.727 -4.744 -18.545 1.00 0.00 H new ATOM 0 HD21 LEU A 2 -3.964 -6.429 -20.426 1.00 0.00 H new ATOM 0 HD22 LEU A 2 -3.376 -5.690 -18.918 1.00 0.00 H new ATOM 0 HD23 LEU A 2 -3.192 -7.440 -19.182 1.00 0.00 H new ATOM 34 N ALA A 3 -3.639 -9.420 -14.734 1.00 0.00 N ATOM 35 CA ALA A 3 -3.792 -9.819 -13.340 1.00 0.00 C ATOM 36 C ALA A 3 -2.625 -10.689 -12.887 1.00 0.00 C ATOM 37 O ALA A 3 -1.974 -11.346 -13.701 1.00 0.00 O ATOM 38 CB ALA A 3 -5.110 -10.553 -13.143 1.00 0.00 C ATOM 0 H ALA A 3 -2.843 -9.844 -15.209 1.00 0.00 H new ATOM 0 HA ALA A 3 -3.797 -8.917 -12.728 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -5.211 -10.845 -12.098 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -5.936 -9.897 -13.418 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -5.128 -11.443 -13.772 1.00 0.00 H new ATOM 44 N LEU A 4 -2.365 -10.691 -11.584 1.00 0.00 N ATOM 45 CA LEU A 4 -1.276 -11.481 -11.021 1.00 0.00 C ATOM 46 C LEU A 4 -1.555 -11.834 -9.564 1.00 0.00 C ATOM 47 O LEU A 4 -2.660 -11.628 -9.066 1.00 0.00 O ATOM 48 CB LEU A 4 0.044 -10.717 -11.129 1.00 0.00 C ATOM 49 CG LEU A 4 1.274 -11.547 -11.494 1.00 0.00 C ATOM 50 CD1 LEU A 4 1.707 -11.262 -12.923 1.00 0.00 C ATOM 51 CD2 LEU A 4 2.413 -11.269 -10.524 1.00 0.00 C ATOM 0 H LEU A 4 -2.894 -10.154 -10.897 1.00 0.00 H new ATOM 0 HA LEU A 4 -1.200 -12.407 -11.591 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -0.074 -9.932 -11.876 1.00 0.00 H new ATOM 0 HB3 LEU A 4 0.234 -10.224 -10.176 1.00 0.00 H new ATOM 0 HG LEU A 4 1.010 -12.602 -11.420 1.00 0.00 H new ATOM 0 HD11 LEU A 4 2.584 -11.862 -13.164 1.00 0.00 H new ATOM 0 HD12 LEU A 4 0.896 -11.514 -13.606 1.00 0.00 H new ATOM 0 HD13 LEU A 4 1.952 -10.205 -13.025 1.00 0.00 H new ATOM 0 HD21 LEU A 4 3.280 -11.869 -10.800 1.00 0.00 H new ATOM 0 HD22 LEU A 4 2.675 -10.212 -10.564 1.00 0.00 H new ATOM 0 HD23 LEU A 4 2.100 -11.527 -9.512 1.00 0.00 H new ATOM 63 N ASN A 5 -0.543 -12.366 -8.886 1.00 0.00 N ATOM 64 CA ASN A 5 -0.680 -12.746 -7.484 1.00 0.00 C ATOM 65 C ASN A 5 -0.705 -11.513 -6.586 1.00 0.00 C ATOM 66 O ASN A 5 -1.034 -11.599 -5.403 1.00 0.00 O ATOM 67 CB ASN A 5 0.469 -13.669 -7.070 1.00 0.00 C ATOM 68 CG ASN A 5 0.005 -15.090 -6.816 1.00 0.00 C ATOM 69 OD1 ASN A 5 0.343 -15.692 -5.797 1.00 0.00 O ATOM 70 ND2 ASN A 5 -0.773 -15.633 -7.744 1.00 0.00 N ATOM 0 H ASN A 5 0.379 -12.544 -9.284 1.00 0.00 H new ATOM 0 HA ASN A 5 -1.625 -13.277 -7.368 1.00 0.00 H new ATOM 0 HB2 ASN A 5 1.229 -13.672 -7.851 1.00 0.00 H new ATOM 0 HB3 ASN A 5 0.940 -13.277 -6.169 1.00 0.00 H new ATOM 0 HD21 ASN A 5 -1.116 -16.587 -7.628 1.00 0.00 H new ATOM 0 HD22 ASN A 5 -1.028 -15.097 -8.573 1.00 0.00 H new ATOM 77 N LYS A 6 -0.353 -10.365 -7.157 1.00 0.00 N ATOM 78 CA LYS A 6 -0.336 -9.113 -6.410 1.00 0.00 C ATOM 79 C LYS A 6 -1.736 -8.748 -5.928 1.00 0.00 C ATOM 80 O LYS A 6 -2.052 -8.886 -4.746 1.00 0.00 O ATOM 81 CB LYS A 6 0.225 -7.985 -7.278 1.00 0.00 C ATOM 82 CG LYS A 6 1.545 -7.428 -6.772 1.00 0.00 C ATOM 83 CD LYS A 6 2.687 -7.748 -7.724 1.00 0.00 C ATOM 84 CE LYS A 6 4.001 -7.923 -6.978 1.00 0.00 C ATOM 85 NZ LYS A 6 4.834 -9.005 -7.570 1.00 0.00 N ATOM 0 H LYS A 6 -0.076 -10.276 -8.135 1.00 0.00 H new ATOM 0 HA LYS A 6 0.306 -9.247 -5.539 1.00 0.00 H new ATOM 0 HB2 LYS A 6 0.361 -8.354 -8.295 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -0.506 -7.178 -7.327 1.00 0.00 H new ATOM 0 HG2 LYS A 6 1.463 -6.348 -6.651 1.00 0.00 H new ATOM 0 HG3 LYS A 6 1.763 -7.843 -5.788 1.00 0.00 H new ATOM 0 HD2 LYS A 6 2.457 -8.659 -8.277 1.00 0.00 H new ATOM 0 HD3 LYS A 6 2.787 -6.947 -8.457 1.00 0.00 H new ATOM 0 HE2 LYS A 6 4.557 -6.985 -6.996 1.00 0.00 H new ATOM 0 HE3 LYS A 6 3.797 -8.152 -5.932 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 5.721 -9.093 -7.034 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 4.314 -9.905 -7.530 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 5.050 -8.774 -8.561 1.00 0.00 H new ATOM 99 N ALA A 7 -2.572 -8.284 -6.851 1.00 0.00 N ATOM 100 CA ALA A 7 -3.940 -7.903 -6.520 1.00 0.00 C ATOM 101 C ALA A 7 -3.963 -6.747 -5.525 1.00 0.00 C ATOM 102 O ALA A 7 -3.479 -6.872 -4.400 1.00 0.00 O ATOM 103 CB ALA A 7 -4.701 -9.097 -5.962 1.00 0.00 C ATOM 0 H ALA A 7 -2.326 -8.163 -7.833 1.00 0.00 H new ATOM 0 HA ALA A 7 -4.429 -7.570 -7.435 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -5.721 -8.798 -5.719 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -4.724 -9.894 -6.706 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -4.204 -9.456 -5.061 1.00 0.00 H new ATOM 109 N THR A 8 -4.528 -5.619 -5.946 1.00 0.00 N ATOM 110 CA THR A 8 -4.612 -4.441 -5.093 1.00 0.00 C ATOM 111 C THR A 8 -6.002 -3.817 -5.153 1.00 0.00 C ATOM 112 O THR A 8 -6.716 -3.963 -6.145 1.00 0.00 O ATOM 113 CB THR A 8 -3.568 -3.381 -5.496 1.00 0.00 C ATOM 114 OG1 THR A 8 -4.169 -2.400 -6.346 1.00 0.00 O ATOM 115 CG2 THR A 8 -2.390 -4.026 -6.209 1.00 0.00 C ATOM 0 H THR A 8 -4.934 -5.497 -6.874 1.00 0.00 H new ATOM 0 HA THR A 8 -4.409 -4.772 -4.075 1.00 0.00 H new ATOM 0 HB THR A 8 -3.203 -2.899 -4.589 1.00 0.00 H new ATOM 0 HG1 THR A 8 -3.636 -2.304 -7.163 1.00 0.00 H new ATOM 0 HG21 THR A 8 -1.666 -3.259 -6.484 1.00 0.00 H new ATOM 0 HG22 THR A 8 -1.916 -4.751 -5.547 1.00 0.00 H new ATOM 0 HG23 THR A 8 -2.742 -4.532 -7.108 1.00 0.00 H new ATOM 123 N ALA A 9 -6.379 -3.122 -4.085 1.00 0.00 N ATOM 124 CA ALA A 9 -7.682 -2.473 -4.017 1.00 0.00 C ATOM 125 C ALA A 9 -7.652 -1.277 -3.073 1.00 0.00 C ATOM 126 O ALA A 9 -7.012 -1.317 -2.021 1.00 0.00 O ATOM 127 CB ALA A 9 -8.745 -3.469 -3.576 1.00 0.00 C ATOM 0 H ALA A 9 -5.800 -2.994 -3.255 1.00 0.00 H new ATOM 0 HA ALA A 9 -7.931 -2.109 -5.014 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -9.713 -2.971 -3.529 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -8.793 -4.290 -4.291 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -8.491 -3.860 -2.591 1.00 0.00 H new ATOM 133 N THR A 10 -8.347 -0.209 -3.455 1.00 0.00 N ATOM 134 CA THR A 10 -8.397 1.000 -2.644 1.00 0.00 C ATOM 135 C THR A 10 -9.837 1.419 -2.370 1.00 0.00 C ATOM 136 O THR A 10 -10.776 0.838 -2.914 1.00 0.00 O ATOM 137 CB THR A 10 -7.656 2.166 -3.326 1.00 0.00 C ATOM 138 OG1 THR A 10 -8.469 2.722 -4.364 1.00 0.00 O ATOM 139 CG2 THR A 10 -6.331 1.698 -3.907 1.00 0.00 C ATOM 0 H THR A 10 -8.883 -0.158 -4.321 1.00 0.00 H new ATOM 0 HA THR A 10 -7.903 0.768 -1.701 1.00 0.00 H new ATOM 0 HB THR A 10 -7.455 2.930 -2.575 1.00 0.00 H new ATOM 0 HG1 THR A 10 -7.921 2.877 -5.161 1.00 0.00 H new ATOM 0 HG21 THR A 10 -5.826 2.538 -4.383 1.00 0.00 H new ATOM 0 HG22 THR A 10 -5.703 1.302 -3.109 1.00 0.00 H new ATOM 0 HG23 THR A 10 -6.513 0.918 -4.646 1.00 0.00 H new ATOM 147 N SER A 11 -10.004 2.431 -1.525 1.00 0.00 N ATOM 148 CA SER A 11 -11.331 2.927 -1.178 1.00 0.00 C ATOM 149 C SER A 11 -11.833 3.916 -2.224 1.00 0.00 C ATOM 150 O SER A 11 -13.008 3.905 -2.592 1.00 0.00 O ATOM 151 CB SER A 11 -11.305 3.593 0.199 1.00 0.00 C ATOM 152 OG SER A 11 -12.085 4.775 0.208 1.00 0.00 O ATOM 0 H SER A 11 -9.237 2.924 -1.068 1.00 0.00 H new ATOM 0 HA SER A 11 -12.013 2.077 -1.151 1.00 0.00 H new ATOM 0 HB2 SER A 11 -11.683 2.899 0.950 1.00 0.00 H new ATOM 0 HB3 SER A 11 -10.277 3.830 0.473 1.00 0.00 H new ATOM 0 HG SER A 11 -12.054 5.181 1.099 1.00 0.00 H new ATOM 158 N SER A 12 -10.934 4.771 -2.701 1.00 0.00 N ATOM 159 CA SER A 12 -11.286 5.770 -3.703 1.00 0.00 C ATOM 160 C SER A 12 -10.515 5.535 -4.999 1.00 0.00 C ATOM 161 O SER A 12 -9.376 5.068 -4.979 1.00 0.00 O ATOM 162 CB SER A 12 -10.998 7.177 -3.174 1.00 0.00 C ATOM 163 OG SER A 12 -9.748 7.652 -3.642 1.00 0.00 O ATOM 0 H SER A 12 -9.957 4.792 -2.410 1.00 0.00 H new ATOM 0 HA SER A 12 -12.352 5.679 -3.912 1.00 0.00 H new ATOM 0 HB2 SER A 12 -11.790 7.856 -3.489 1.00 0.00 H new ATOM 0 HB3 SER A 12 -11.002 7.167 -2.084 1.00 0.00 H new ATOM 0 HG SER A 12 -9.493 8.453 -3.138 1.00 0.00 H new ATOM 169 N ILE A 13 -11.145 5.862 -6.122 1.00 0.00 N ATOM 170 CA ILE A 13 -10.518 5.688 -7.427 1.00 0.00 C ATOM 171 C ILE A 13 -10.901 6.819 -8.376 1.00 0.00 C ATOM 172 O ILE A 13 -11.913 7.490 -8.179 1.00 0.00 O ATOM 173 CB ILE A 13 -10.911 4.342 -8.065 1.00 0.00 C ATOM 174 CG1 ILE A 13 -10.106 4.105 -9.344 1.00 0.00 C ATOM 175 CG2 ILE A 13 -12.403 4.310 -8.358 1.00 0.00 C ATOM 176 CD1 ILE A 13 -9.904 2.640 -9.667 1.00 0.00 C ATOM 0 H ILE A 13 -12.088 6.249 -6.155 1.00 0.00 H new ATOM 0 HA ILE A 13 -9.440 5.703 -7.264 1.00 0.00 H new ATOM 0 HB ILE A 13 -10.682 3.542 -7.361 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -10.615 4.586 -10.179 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -9.132 4.585 -9.245 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -12.665 3.353 -8.809 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -12.959 4.438 -7.429 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -12.656 5.116 -9.047 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -9.326 2.546 -10.586 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -9.367 2.158 -8.850 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -10.873 2.159 -9.798 1.00 0.00 H new ATOM 188 N GLU A 14 -10.086 7.020 -9.406 1.00 0.00 N ATOM 189 CA GLU A 14 -10.341 8.069 -10.387 1.00 0.00 C ATOM 190 C GLU A 14 -11.200 7.545 -11.533 1.00 0.00 C ATOM 191 O GLU A 14 -12.103 8.232 -12.013 1.00 0.00 O ATOM 192 CB GLU A 14 -9.022 8.618 -10.934 1.00 0.00 C ATOM 193 CG GLU A 14 -8.422 9.724 -10.080 1.00 0.00 C ATOM 194 CD GLU A 14 -9.130 11.052 -10.265 1.00 0.00 C ATOM 195 OE1 GLU A 14 -10.362 11.099 -10.066 1.00 0.00 O ATOM 196 OE2 GLU A 14 -8.452 12.043 -10.606 1.00 0.00 O ATOM 0 H GLU A 14 -9.245 6.471 -9.583 1.00 0.00 H new ATOM 0 HA GLU A 14 -10.882 8.873 -9.888 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -8.304 7.802 -11.014 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -9.186 8.998 -11.942 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -8.470 9.434 -9.030 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -7.368 9.840 -10.331 1.00 0.00 H new ATOM 203 N THR A 15 -10.913 6.322 -11.969 1.00 0.00 N ATOM 204 CA THR A 15 -11.658 5.706 -13.060 1.00 0.00 C ATOM 205 C THR A 15 -12.937 5.050 -12.552 1.00 0.00 C ATOM 206 O THR A 15 -13.579 4.282 -13.268 1.00 0.00 O ATOM 207 CB THR A 15 -10.809 4.648 -13.792 1.00 0.00 C ATOM 208 OG1 THR A 15 -11.443 4.277 -15.021 1.00 0.00 O ATOM 209 CG2 THR A 15 -10.613 3.415 -12.923 1.00 0.00 C ATOM 0 H THR A 15 -10.170 5.739 -11.583 1.00 0.00 H new ATOM 0 HA THR A 15 -11.914 6.504 -13.757 1.00 0.00 H new ATOM 0 HB THR A 15 -9.832 5.081 -14.004 1.00 0.00 H new ATOM 0 HG1 THR A 15 -12.404 4.159 -14.871 1.00 0.00 H new ATOM 0 HG21 THR A 15 -10.011 2.683 -13.461 1.00 0.00 H new ATOM 0 HG22 THR A 15 -10.104 3.697 -12.001 1.00 0.00 H new ATOM 0 HG23 THR A 15 -11.584 2.981 -12.683 1.00 0.00 H new ATOM 217 N ALA A 16 -13.303 5.361 -11.313 1.00 0.00 N ATOM 218 CA ALA A 16 -14.507 4.804 -10.710 1.00 0.00 C ATOM 219 C ALA A 16 -14.636 3.316 -11.013 1.00 0.00 C ATOM 220 O ALA A 16 -15.733 2.812 -11.246 1.00 0.00 O ATOM 221 CB ALA A 16 -15.738 5.553 -11.202 1.00 0.00 C ATOM 0 H ALA A 16 -12.783 5.996 -10.707 1.00 0.00 H new ATOM 0 HA ALA A 16 -14.430 4.922 -9.629 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -16.630 5.127 -10.744 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -15.657 6.605 -10.929 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -15.809 5.464 -12.286 1.00 0.00 H new ATOM 227 N GLY A 17 -13.505 2.616 -11.009 1.00 0.00 N ATOM 228 CA GLY A 17 -13.513 1.191 -11.286 1.00 0.00 C ATOM 229 C GLY A 17 -12.597 0.416 -10.361 1.00 0.00 C ATOM 230 O GLY A 17 -12.824 0.362 -9.151 1.00 0.00 O ATOM 0 H GLY A 17 -12.584 3.010 -10.819 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -14.530 0.811 -11.188 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -13.208 1.023 -12.319 1.00 0.00 H new ATOM 234 N HIS A 18 -11.558 -0.189 -10.928 1.00 0.00 N ATOM 235 CA HIS A 18 -10.605 -0.966 -10.145 1.00 0.00 C ATOM 236 C HIS A 18 -9.217 -0.922 -10.778 1.00 0.00 C ATOM 237 O HIS A 18 -8.368 -1.766 -10.495 1.00 0.00 O ATOM 238 CB HIS A 18 -11.075 -2.415 -10.022 1.00 0.00 C ATOM 239 CG HIS A 18 -11.692 -2.954 -11.276 1.00 0.00 C ATOM 240 ND1 HIS A 18 -13.016 -3.328 -11.364 1.00 0.00 N ATOM 241 CD2 HIS A 18 -11.158 -3.179 -12.500 1.00 0.00 C ATOM 242 CE1 HIS A 18 -13.269 -3.761 -12.586 1.00 0.00 C ATOM 243 NE2 HIS A 18 -12.158 -3.679 -13.295 1.00 0.00 N ATOM 0 H HIS A 18 -11.355 -0.156 -11.927 1.00 0.00 H new ATOM 0 HA HIS A 18 -10.546 -0.525 -9.150 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -10.226 -3.041 -9.746 1.00 0.00 H new ATOM 0 HB3 HIS A 18 -11.800 -2.485 -9.211 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -10.135 -2.998 -12.795 1.00 0.00 H new ATOM 0 HE1 HIS A 18 -14.222 -4.121 -12.944 1.00 0.00 H new ATOM 0 HE2 HIS A 18 -12.059 -3.944 -14.275 1.00 0.00 H new ATOM 251 N GLU A 19 -8.995 0.067 -11.639 1.00 0.00 N ATOM 252 CA GLU A 19 -7.711 0.219 -12.313 1.00 0.00 C ATOM 253 C GLU A 19 -6.559 0.119 -11.318 1.00 0.00 C ATOM 254 O GLU A 19 -5.437 -0.227 -11.684 1.00 0.00 O ATOM 255 CB GLU A 19 -7.651 1.561 -13.046 1.00 0.00 C ATOM 256 CG GLU A 19 -8.007 1.465 -14.521 1.00 0.00 C ATOM 257 CD GLU A 19 -7.635 2.716 -15.293 1.00 0.00 C ATOM 258 OE1 GLU A 19 -6.430 3.037 -15.358 1.00 0.00 O ATOM 259 OE2 GLU A 19 -8.549 3.373 -15.833 1.00 0.00 O ATOM 0 H GLU A 19 -9.687 0.774 -11.886 1.00 0.00 H new ATOM 0 HA GLU A 19 -7.613 -0.588 -13.039 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -8.332 2.261 -12.561 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -6.647 1.974 -12.949 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -7.497 0.607 -14.959 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -9.077 1.285 -14.622 1.00 0.00 H new ATOM 266 N GLY A 20 -6.845 0.425 -10.055 1.00 0.00 N ATOM 267 CA GLY A 20 -5.825 0.365 -9.027 1.00 0.00 C ATOM 268 C GLY A 20 -5.153 -0.992 -8.956 1.00 0.00 C ATOM 269 O GLY A 20 -3.984 -1.095 -8.583 1.00 0.00 O ATOM 0 H GLY A 20 -7.767 0.714 -9.727 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -5.073 1.130 -9.221 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -6.273 0.596 -8.061 1.00 0.00 H new ATOM 273 N ASP A 21 -5.892 -2.036 -9.314 1.00 0.00 N ATOM 274 CA ASP A 21 -5.361 -3.394 -9.290 1.00 0.00 C ATOM 275 C ASP A 21 -4.293 -3.579 -10.362 1.00 0.00 C ATOM 276 O ASP A 21 -3.628 -4.614 -10.421 1.00 0.00 O ATOM 277 CB ASP A 21 -6.487 -4.409 -9.493 1.00 0.00 C ATOM 278 CG ASP A 21 -6.080 -5.813 -9.094 1.00 0.00 C ATOM 279 OD1 ASP A 21 -5.413 -6.489 -9.904 1.00 0.00 O ATOM 280 OD2 ASP A 21 -6.429 -6.237 -7.972 1.00 0.00 O ATOM 0 H ASP A 21 -6.861 -1.968 -9.625 1.00 0.00 H new ATOM 0 HA ASP A 21 -4.904 -3.561 -8.315 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -7.355 -4.106 -8.908 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -6.791 -4.406 -10.540 1.00 0.00 H new ATOM 285 N LYS A 22 -4.132 -2.570 -11.212 1.00 0.00 N ATOM 286 CA LYS A 22 -3.145 -2.620 -12.283 1.00 0.00 C ATOM 287 C LYS A 22 -1.742 -2.826 -11.721 1.00 0.00 C ATOM 288 O LYS A 22 -0.824 -3.212 -12.444 1.00 0.00 O ATOM 289 CB LYS A 22 -3.192 -1.332 -13.108 1.00 0.00 C ATOM 290 CG LYS A 22 -4.327 -1.297 -14.116 1.00 0.00 C ATOM 291 CD LYS A 22 -3.930 -1.957 -15.426 1.00 0.00 C ATOM 292 CE LYS A 22 -5.030 -2.869 -15.946 1.00 0.00 C ATOM 293 NZ LYS A 22 -6.251 -2.106 -16.326 1.00 0.00 N ATOM 0 H LYS A 22 -4.674 -1.706 -11.179 1.00 0.00 H new ATOM 0 HA LYS A 22 -3.387 -3.466 -12.927 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -3.290 -0.482 -12.433 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -2.245 -1.213 -13.635 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -5.199 -1.804 -13.702 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -4.618 -0.263 -14.302 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -3.710 -1.190 -16.169 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -3.016 -2.533 -15.282 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -4.664 -3.422 -16.811 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -5.284 -3.603 -15.182 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -6.977 -2.764 -16.675 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -6.615 -1.598 -15.495 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -6.015 -1.423 -17.073 1.00 0.00 H new ATOM 307 N ALA A 23 -1.584 -2.565 -10.428 1.00 0.00 N ATOM 308 CA ALA A 23 -0.293 -2.725 -9.768 1.00 0.00 C ATOM 309 C ALA A 23 0.264 -4.128 -9.985 1.00 0.00 C ATOM 310 O ALA A 23 1.466 -4.356 -9.853 1.00 0.00 O ATOM 311 CB ALA A 23 -0.420 -2.431 -8.281 1.00 0.00 C ATOM 0 H ALA A 23 -2.333 -2.242 -9.816 1.00 0.00 H new ATOM 0 HA ALA A 23 0.404 -2.013 -10.210 1.00 0.00 H new ATOM 0 HB1 ALA A 23 0.551 -2.554 -7.801 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -0.766 -1.407 -8.141 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -1.136 -3.121 -7.834 1.00 0.00 H new ATOM 317 N VAL A 24 -0.618 -5.065 -10.318 1.00 0.00 N ATOM 318 CA VAL A 24 -0.214 -6.446 -10.554 1.00 0.00 C ATOM 319 C VAL A 24 1.047 -6.511 -11.407 1.00 0.00 C ATOM 320 O VAL A 24 1.973 -7.267 -11.111 1.00 0.00 O ATOM 321 CB VAL A 24 -1.331 -7.248 -11.248 1.00 0.00 C ATOM 322 CG1 VAL A 24 -2.415 -7.627 -10.249 1.00 0.00 C ATOM 323 CG2 VAL A 24 -1.918 -6.453 -12.405 1.00 0.00 C ATOM 0 H VAL A 24 -1.617 -4.893 -10.430 1.00 0.00 H new ATOM 0 HA VAL A 24 -0.013 -6.888 -9.578 1.00 0.00 H new ATOM 0 HB VAL A 24 -0.900 -8.166 -11.648 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -3.196 -8.193 -10.757 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -1.982 -8.237 -9.456 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -2.845 -6.723 -9.818 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -2.706 -7.035 -12.884 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -2.334 -5.518 -12.030 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -1.135 -6.236 -13.131 1.00 0.00 H new ATOM 333 N ASP A 25 1.078 -5.714 -12.470 1.00 0.00 N ATOM 334 CA ASP A 25 2.227 -5.679 -13.367 1.00 0.00 C ATOM 335 C ASP A 25 3.531 -5.607 -12.578 1.00 0.00 C ATOM 336 O ASP A 25 4.503 -6.287 -12.902 1.00 0.00 O ATOM 337 CB ASP A 25 2.124 -4.485 -14.317 1.00 0.00 C ATOM 338 CG ASP A 25 2.386 -4.869 -15.760 1.00 0.00 C ATOM 339 OD1 ASP A 25 3.567 -4.891 -16.163 1.00 0.00 O ATOM 340 OD2 ASP A 25 1.409 -5.146 -16.486 1.00 0.00 O ATOM 0 H ASP A 25 0.320 -5.083 -12.731 1.00 0.00 H new ATOM 0 HA ASP A 25 2.228 -6.599 -13.952 1.00 0.00 H new ATOM 0 HB2 ASP A 25 1.130 -4.045 -14.236 1.00 0.00 H new ATOM 0 HB3 ASP A 25 2.838 -3.719 -14.012 1.00 0.00 H new ATOM 345 N GLY A 26 3.543 -4.775 -11.540 1.00 0.00 N ATOM 346 CA GLY A 26 4.733 -4.627 -10.723 1.00 0.00 C ATOM 347 C GLY A 26 5.833 -3.864 -11.432 1.00 0.00 C ATOM 348 O GLY A 26 7.011 -4.024 -11.115 1.00 0.00 O ATOM 0 H GLY A 26 2.750 -4.202 -11.251 1.00 0.00 H new ATOM 0 HA2 GLY A 26 4.474 -4.109 -9.799 1.00 0.00 H new ATOM 0 HA3 GLY A 26 5.102 -5.614 -10.443 1.00 0.00 H new ATOM 352 N ASN A 27 5.450 -3.034 -12.396 1.00 0.00 N ATOM 353 CA ASN A 27 6.413 -2.245 -13.154 1.00 0.00 C ATOM 354 C ASN A 27 5.856 -0.860 -13.467 1.00 0.00 C ATOM 355 O ASN A 27 4.832 -0.452 -12.918 1.00 0.00 O ATOM 356 CB ASN A 27 6.782 -2.964 -14.453 1.00 0.00 C ATOM 357 CG ASN A 27 8.283 -3.041 -14.665 1.00 0.00 C ATOM 358 OD1 ASN A 27 9.033 -3.382 -13.751 1.00 0.00 O ATOM 359 ND2 ASN A 27 8.725 -2.724 -15.876 1.00 0.00 N ATOM 0 H ASN A 27 4.478 -2.890 -12.671 1.00 0.00 H new ATOM 0 HA ASN A 27 7.309 -2.127 -12.544 1.00 0.00 H new ATOM 0 HB2 ASN A 27 6.368 -3.972 -14.437 1.00 0.00 H new ATOM 0 HB3 ASN A 27 6.325 -2.444 -15.295 1.00 0.00 H new ATOM 0 HD21 ASN A 27 9.724 -2.758 -16.079 1.00 0.00 H new ATOM 0 HD22 ASN A 27 8.066 -2.447 -16.603 1.00 0.00 H new ATOM 366 N ALA A 28 6.537 -0.140 -14.353 1.00 0.00 N ATOM 367 CA ALA A 28 6.110 1.198 -14.741 1.00 0.00 C ATOM 368 C ALA A 28 4.770 1.157 -15.469 1.00 0.00 C ATOM 369 O ALA A 28 4.126 2.187 -15.660 1.00 0.00 O ATOM 370 CB ALA A 28 7.167 1.858 -15.614 1.00 0.00 C ATOM 0 H ALA A 28 7.387 -0.462 -14.816 1.00 0.00 H new ATOM 0 HA ALA A 28 5.984 1.789 -13.834 1.00 0.00 H new ATOM 0 HB1 ALA A 28 6.834 2.857 -15.896 1.00 0.00 H new ATOM 0 HB2 ALA A 28 8.103 1.930 -15.060 1.00 0.00 H new ATOM 0 HB3 ALA A 28 7.322 1.260 -16.512 1.00 0.00 H new ATOM 376 N ALA A 29 4.357 -0.041 -15.871 1.00 0.00 N ATOM 377 CA ALA A 29 3.094 -0.215 -16.576 1.00 0.00 C ATOM 378 C ALA A 29 1.910 0.086 -15.664 1.00 0.00 C ATOM 379 O ALA A 29 0.783 0.261 -16.128 1.00 0.00 O ATOM 380 CB ALA A 29 2.990 -1.628 -17.130 1.00 0.00 C ATOM 0 H ALA A 29 4.879 -0.904 -15.720 1.00 0.00 H new ATOM 0 HA ALA A 29 3.069 0.492 -17.405 1.00 0.00 H new ATOM 0 HB1 ALA A 29 2.042 -1.744 -17.654 1.00 0.00 H new ATOM 0 HB2 ALA A 29 3.812 -1.809 -17.823 1.00 0.00 H new ATOM 0 HB3 ALA A 29 3.042 -2.345 -16.311 1.00 0.00 H new ATOM 386 N THR A 30 2.171 0.144 -14.362 1.00 0.00 N ATOM 387 CA THR A 30 1.127 0.422 -13.384 1.00 0.00 C ATOM 388 C THR A 30 1.156 1.883 -12.949 1.00 0.00 C ATOM 389 O THR A 30 2.206 2.411 -12.584 1.00 0.00 O ATOM 390 CB THR A 30 1.269 -0.475 -12.140 1.00 0.00 C ATOM 391 OG1 THR A 30 2.201 0.107 -11.220 1.00 0.00 O ATOM 392 CG2 THR A 30 1.737 -1.870 -12.529 1.00 0.00 C ATOM 0 H THR A 30 3.098 0.002 -13.960 1.00 0.00 H new ATOM 0 HA THR A 30 0.175 0.209 -13.869 1.00 0.00 H new ATOM 0 HB THR A 30 0.292 -0.556 -11.664 1.00 0.00 H new ATOM 0 HG1 THR A 30 2.596 0.910 -11.619 1.00 0.00 H new ATOM 0 HG21 THR A 30 1.830 -2.485 -11.634 1.00 0.00 H new ATOM 0 HG22 THR A 30 1.012 -2.321 -13.206 1.00 0.00 H new ATOM 0 HG23 THR A 30 2.705 -1.804 -13.026 1.00 0.00 H new ATOM 400 N ARG A 31 -0.005 2.530 -12.989 1.00 0.00 N ATOM 401 CA ARG A 31 -0.112 3.931 -12.600 1.00 0.00 C ATOM 402 C ARG A 31 -1.379 4.173 -11.785 1.00 0.00 C ATOM 403 O ARG A 31 -2.452 4.401 -12.341 1.00 0.00 O ATOM 404 CB ARG A 31 -0.110 4.829 -13.839 1.00 0.00 C ATOM 405 CG ARG A 31 -1.059 4.362 -14.930 1.00 0.00 C ATOM 406 CD ARG A 31 -1.951 5.494 -15.414 1.00 0.00 C ATOM 407 NE ARG A 31 -3.030 5.013 -16.274 1.00 0.00 N ATOM 408 CZ ARG A 31 -4.007 5.788 -16.731 1.00 0.00 C ATOM 409 NH1 ARG A 31 -4.041 7.075 -16.413 1.00 0.00 N ATOM 410 NH2 ARG A 31 -4.952 5.276 -17.509 1.00 0.00 N ATOM 0 H ARG A 31 -0.884 2.106 -13.287 1.00 0.00 H new ATOM 0 HA ARG A 31 0.751 4.177 -11.981 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -0.380 5.843 -13.543 1.00 0.00 H new ATOM 0 HB3 ARG A 31 0.901 4.874 -14.243 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -0.485 3.966 -15.768 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -1.676 3.547 -14.552 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -2.376 6.013 -14.555 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -1.350 6.221 -15.960 1.00 0.00 H new ATOM 0 HE ARG A 31 -3.033 4.028 -16.538 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -3.316 7.472 -15.816 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -4.793 7.668 -16.765 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -4.928 4.287 -17.756 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -5.702 5.872 -17.860 1.00 0.00 H new ATOM 424 N TRP A 32 -1.245 4.121 -10.464 1.00 0.00 N ATOM 425 CA TRP A 32 -2.379 4.334 -9.572 1.00 0.00 C ATOM 426 C TRP A 32 -2.559 5.816 -9.265 1.00 0.00 C ATOM 427 O TRP A 32 -1.600 6.513 -8.935 1.00 0.00 O ATOM 428 CB TRP A 32 -2.186 3.552 -8.272 1.00 0.00 C ATOM 429 CG TRP A 32 -3.254 3.817 -7.255 1.00 0.00 C ATOM 430 CD1 TRP A 32 -3.072 4.123 -5.937 1.00 0.00 C ATOM 431 CD2 TRP A 32 -4.669 3.798 -7.473 1.00 0.00 C ATOM 432 NE1 TRP A 32 -4.288 4.295 -5.322 1.00 0.00 N ATOM 433 CE2 TRP A 32 -5.284 4.103 -6.243 1.00 0.00 C ATOM 434 CE3 TRP A 32 -5.477 3.556 -8.588 1.00 0.00 C ATOM 435 CZ2 TRP A 32 -6.668 4.170 -6.099 1.00 0.00 C ATOM 436 CZ3 TRP A 32 -6.849 3.622 -8.443 1.00 0.00 C ATOM 437 CH2 TRP A 32 -7.433 3.928 -7.207 1.00 0.00 C ATOM 0 H TRP A 32 -0.363 3.933 -9.988 1.00 0.00 H new ATOM 0 HA TRP A 32 -3.277 3.974 -10.075 1.00 0.00 H new ATOM 0 HB2 TRP A 32 -2.166 2.486 -8.497 1.00 0.00 H new ATOM 0 HB3 TRP A 32 -1.216 3.806 -7.844 1.00 0.00 H new ATOM 0 HD1 TRP A 32 -2.113 4.216 -5.450 1.00 0.00 H new ATOM 0 HE1 TRP A 32 -4.427 4.528 -4.339 1.00 0.00 H new ATOM 0 HE3 TRP A 32 -5.036 3.322 -9.546 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 -7.121 4.405 -5.147 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 -7.483 3.434 -9.297 1.00 0.00 H new ATOM 0 HH2 TRP A 32 -8.509 3.974 -7.127 1.00 0.00 H new ATOM 448 N ALA A 33 -3.795 6.294 -9.377 1.00 0.00 N ATOM 449 CA ALA A 33 -4.100 7.694 -9.110 1.00 0.00 C ATOM 450 C ALA A 33 -5.422 7.834 -8.362 1.00 0.00 C ATOM 451 O ALA A 33 -6.491 7.859 -8.973 1.00 0.00 O ATOM 452 CB ALA A 33 -4.140 8.483 -10.409 1.00 0.00 C ATOM 0 H ALA A 33 -4.601 5.732 -9.651 1.00 0.00 H new ATOM 0 HA ALA A 33 -3.310 8.098 -8.477 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -4.369 9.527 -10.194 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -3.171 8.419 -10.904 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -4.909 8.070 -11.062 1.00 0.00 H new ATOM 458 N SER A 34 -5.342 7.924 -7.039 1.00 0.00 N ATOM 459 CA SER A 34 -6.533 8.057 -6.207 1.00 0.00 C ATOM 460 C SER A 34 -7.210 9.404 -6.441 1.00 0.00 C ATOM 461 O SER A 34 -6.556 10.446 -6.448 1.00 0.00 O ATOM 462 CB SER A 34 -6.169 7.905 -4.729 1.00 0.00 C ATOM 463 OG SER A 34 -6.887 6.838 -4.135 1.00 0.00 O ATOM 0 H SER A 34 -4.465 7.907 -6.519 1.00 0.00 H new ATOM 0 HA SER A 34 -7.230 7.266 -6.484 1.00 0.00 H new ATOM 0 HB2 SER A 34 -5.098 7.726 -4.631 1.00 0.00 H new ATOM 0 HB3 SER A 34 -6.387 8.833 -4.200 1.00 0.00 H new ATOM 0 HG SER A 34 -7.818 7.109 -3.993 1.00 0.00 H new ATOM 469 N ALA A 35 -8.525 9.373 -6.632 1.00 0.00 N ATOM 470 CA ALA A 35 -9.293 10.590 -6.863 1.00 0.00 C ATOM 471 C ALA A 35 -9.122 11.574 -5.711 1.00 0.00 C ATOM 472 O ALA A 35 -9.224 11.201 -4.542 1.00 0.00 O ATOM 473 CB ALA A 35 -10.763 10.258 -7.061 1.00 0.00 C ATOM 0 H ALA A 35 -9.081 8.518 -6.631 1.00 0.00 H new ATOM 0 HA ALA A 35 -8.914 11.062 -7.769 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -11.324 11.177 -7.232 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -10.874 9.599 -7.922 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -11.147 9.760 -6.171 1.00 0.00 H new ATOM 479 N TYR A 36 -8.860 12.832 -6.047 1.00 0.00 N ATOM 480 CA TYR A 36 -8.671 13.870 -5.040 1.00 0.00 C ATOM 481 C TYR A 36 -9.832 13.884 -4.049 1.00 0.00 C ATOM 482 O TYR A 36 -10.981 13.645 -4.417 1.00 0.00 O ATOM 483 CB TYR A 36 -8.539 15.240 -5.706 1.00 0.00 C ATOM 484 CG TYR A 36 -9.547 15.477 -6.809 1.00 0.00 C ATOM 485 CD1 TYR A 36 -10.889 15.680 -6.516 1.00 0.00 C ATOM 486 CD2 TYR A 36 -9.157 15.497 -8.142 1.00 0.00 C ATOM 487 CE1 TYR A 36 -11.814 15.896 -7.520 1.00 0.00 C ATOM 488 CE2 TYR A 36 -10.073 15.713 -9.152 1.00 0.00 C ATOM 489 CZ TYR A 36 -11.401 15.913 -8.836 1.00 0.00 C ATOM 490 OH TYR A 36 -12.318 16.127 -9.839 1.00 0.00 O ATOM 0 H TYR A 36 -8.774 13.158 -7.010 1.00 0.00 H new ATOM 0 HA TYR A 36 -7.753 13.649 -4.495 1.00 0.00 H new ATOM 0 HB2 TYR A 36 -8.653 16.015 -4.948 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -7.534 15.340 -6.116 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -11.215 15.669 -5.487 1.00 0.00 H new ATOM 0 HD2 TYR A 36 -8.118 15.341 -8.393 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -12.855 16.051 -7.275 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -9.752 15.725 -10.183 1.00 0.00 H new ATOM 0 HH TYR A 36 -11.863 16.110 -10.707 1.00 0.00 H new ATOM 500 N GLY A 37 -9.521 14.167 -2.788 1.00 0.00 N ATOM 501 CA GLY A 37 -10.547 14.208 -1.762 1.00 0.00 C ATOM 502 C GLY A 37 -10.847 12.838 -1.187 1.00 0.00 C ATOM 503 O GLY A 37 -10.158 11.865 -1.493 1.00 0.00 O ATOM 0 H GLY A 37 -8.577 14.369 -2.458 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -10.228 14.873 -0.960 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -11.460 14.630 -2.182 1.00 0.00 H new ATOM 507 N ALA A 38 -11.878 12.762 -0.350 1.00 0.00 N ATOM 508 CA ALA A 38 -12.267 11.502 0.268 1.00 0.00 C ATOM 509 C ALA A 38 -11.144 10.946 1.138 1.00 0.00 C ATOM 510 O ALA A 38 -11.110 9.753 1.436 1.00 0.00 O ATOM 511 CB ALA A 38 -12.660 10.490 -0.798 1.00 0.00 C ATOM 0 H ALA A 38 -12.458 13.559 -0.085 1.00 0.00 H new ATOM 0 HA ALA A 38 -13.128 11.692 0.909 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -12.948 9.553 -0.322 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -13.500 10.877 -1.375 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -11.814 10.314 -1.462 1.00 0.00 H new ATOM 517 N SER A 39 -10.228 11.820 1.542 1.00 0.00 N ATOM 518 CA SER A 39 -9.100 11.416 2.374 1.00 0.00 C ATOM 519 C SER A 39 -9.523 11.287 3.835 1.00 0.00 C ATOM 520 O SER A 39 -10.561 11.798 4.255 1.00 0.00 O ATOM 521 CB SER A 39 -7.958 12.426 2.248 1.00 0.00 C ATOM 522 OG SER A 39 -8.346 13.539 1.463 1.00 0.00 O ATOM 0 H SER A 39 -10.245 12.812 1.307 1.00 0.00 H new ATOM 0 HA SER A 39 -8.753 10.443 2.027 1.00 0.00 H new ATOM 0 HB2 SER A 39 -7.656 12.764 3.239 1.00 0.00 H new ATOM 0 HB3 SER A 39 -7.090 11.944 1.798 1.00 0.00 H new ATOM 0 HG SER A 39 -7.561 13.905 1.003 1.00 0.00 H new ATOM 528 N PRO A 40 -8.698 10.587 4.628 1.00 0.00 N ATOM 529 CA PRO A 40 -7.460 9.973 4.139 1.00 0.00 C ATOM 530 C PRO A 40 -7.725 8.794 3.209 1.00 0.00 C ATOM 531 O PRO A 40 -8.839 8.276 3.152 1.00 0.00 O ATOM 532 CB PRO A 40 -6.768 9.499 5.419 1.00 0.00 C ATOM 533 CG PRO A 40 -7.875 9.302 6.397 1.00 0.00 C ATOM 534 CD PRO A 40 -8.911 10.340 6.064 1.00 0.00 C ATOM 0 HA PRO A 40 -6.865 10.671 3.550 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -6.218 8.573 5.252 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -6.050 10.236 5.777 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -8.290 8.297 6.319 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -7.518 9.421 7.420 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -9.920 9.979 6.264 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -8.774 11.247 6.652 1.00 0.00 H new ATOM 542 N GLN A 41 -6.693 8.376 2.483 1.00 0.00 N ATOM 543 CA GLN A 41 -6.817 7.257 1.555 1.00 0.00 C ATOM 544 C GLN A 41 -6.043 6.043 2.060 1.00 0.00 C ATOM 545 O GLN A 41 -5.425 6.089 3.124 1.00 0.00 O ATOM 546 CB GLN A 41 -6.309 7.659 0.169 1.00 0.00 C ATOM 547 CG GLN A 41 -7.241 7.250 -0.960 1.00 0.00 C ATOM 548 CD GLN A 41 -8.336 8.269 -1.212 1.00 0.00 C ATOM 549 OE1 GLN A 41 -8.227 9.104 -2.111 1.00 0.00 O ATOM 550 NE2 GLN A 41 -9.398 8.206 -0.419 1.00 0.00 N ATOM 0 H GLN A 41 -5.763 8.794 2.519 1.00 0.00 H new ATOM 0 HA GLN A 41 -7.871 6.990 1.485 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -6.170 8.740 0.141 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -5.331 7.207 0.004 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -6.661 7.112 -1.873 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -7.694 6.287 -0.722 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -9.446 7.498 0.313 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -10.166 8.866 -0.542 1.00 0.00 H new ATOM 559 N TRP A 42 -6.082 4.961 1.292 1.00 0.00 N ATOM 560 CA TRP A 42 -5.385 3.736 1.662 1.00 0.00 C ATOM 561 C TRP A 42 -5.482 2.696 0.550 1.00 0.00 C ATOM 562 O TRP A 42 -6.213 2.884 -0.424 1.00 0.00 O ATOM 563 CB TRP A 42 -5.963 3.168 2.960 1.00 0.00 C ATOM 564 CG TRP A 42 -7.362 2.651 2.810 1.00 0.00 C ATOM 565 CD1 TRP A 42 -8.504 3.394 2.711 1.00 0.00 C ATOM 566 CD2 TRP A 42 -7.766 1.278 2.743 1.00 0.00 C ATOM 567 NE1 TRP A 42 -9.594 2.565 2.588 1.00 0.00 N ATOM 568 CE2 TRP A 42 -9.168 1.263 2.605 1.00 0.00 C ATOM 569 CE3 TRP A 42 -7.080 0.062 2.787 1.00 0.00 C ATOM 570 CZ2 TRP A 42 -9.894 0.079 2.510 1.00 0.00 C ATOM 571 CZ3 TRP A 42 -7.802 -1.113 2.692 1.00 0.00 C ATOM 572 CH2 TRP A 42 -9.197 -1.098 2.555 1.00 0.00 C ATOM 0 H TRP A 42 -6.589 4.907 0.409 1.00 0.00 H new ATOM 0 HA TRP A 42 -4.334 3.979 1.816 1.00 0.00 H new ATOM 0 HB2 TRP A 42 -5.321 2.361 3.313 1.00 0.00 H new ATOM 0 HB3 TRP A 42 -5.950 3.944 3.725 1.00 0.00 H new ATOM 0 HD1 TRP A 42 -8.545 4.473 2.727 1.00 0.00 H new ATOM 0 HE1 TRP A 42 -10.563 2.870 2.499 1.00 0.00 H new ATOM 0 HE3 TRP A 42 -6.005 0.040 2.893 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 -10.969 0.089 2.405 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 -7.282 -2.059 2.724 1.00 0.00 H new ATOM 0 HH2 TRP A 42 -9.732 -2.033 2.484 1.00 0.00 H new ATOM 583 N ILE A 43 -4.743 1.603 0.701 1.00 0.00 N ATOM 584 CA ILE A 43 -4.748 0.535 -0.291 1.00 0.00 C ATOM 585 C ILE A 43 -4.149 -0.747 0.278 1.00 0.00 C ATOM 586 O ILE A 43 -3.156 -0.710 1.005 1.00 0.00 O ATOM 587 CB ILE A 43 -3.965 0.937 -1.556 1.00 0.00 C ATOM 588 CG1 ILE A 43 -3.959 -0.213 -2.564 1.00 0.00 C ATOM 589 CG2 ILE A 43 -2.544 1.340 -1.193 1.00 0.00 C ATOM 590 CD1 ILE A 43 -3.507 0.199 -3.948 1.00 0.00 C ATOM 0 H ILE A 43 -4.133 1.433 1.501 1.00 0.00 H new ATOM 0 HA ILE A 43 -5.790 0.359 -0.559 1.00 0.00 H new ATOM 0 HB ILE A 43 -4.458 1.794 -2.015 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -3.304 -1.004 -2.197 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -4.962 -0.634 -2.629 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -2.003 1.621 -2.097 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -2.570 2.187 -0.507 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -2.039 0.501 -0.714 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -3.528 -0.667 -4.610 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -4.175 0.968 -4.335 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -2.492 0.593 -3.897 1.00 0.00 H new ATOM 602 N TYR A 44 -4.758 -1.877 -0.058 1.00 0.00 N ATOM 603 CA TYR A 44 -4.285 -3.171 0.419 1.00 0.00 C ATOM 604 C TYR A 44 -3.900 -4.077 -0.748 1.00 0.00 C ATOM 605 O TYR A 44 -4.444 -3.956 -1.845 1.00 0.00 O ATOM 606 CB TYR A 44 -5.360 -3.848 1.271 1.00 0.00 C ATOM 607 CG TYR A 44 -6.490 -4.442 0.461 1.00 0.00 C ATOM 608 CD1 TYR A 44 -6.385 -5.714 -0.089 1.00 0.00 C ATOM 609 CD2 TYR A 44 -7.664 -3.730 0.245 1.00 0.00 C ATOM 610 CE1 TYR A 44 -7.415 -6.259 -0.830 1.00 0.00 C ATOM 611 CE2 TYR A 44 -8.700 -4.269 -0.495 1.00 0.00 C ATOM 612 CZ TYR A 44 -8.570 -5.532 -1.030 1.00 0.00 C ATOM 613 OH TYR A 44 -9.599 -6.073 -1.768 1.00 0.00 O ATOM 0 H TYR A 44 -5.581 -1.924 -0.659 1.00 0.00 H new ATOM 0 HA TYR A 44 -3.399 -3.001 1.030 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -4.898 -4.636 1.866 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -5.770 -3.119 1.970 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -5.482 -6.286 0.066 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -7.769 -2.739 0.662 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -7.317 -7.249 -1.251 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -9.606 -3.703 -0.653 1.00 0.00 H new ATOM 0 HH TYR A 44 -10.340 -5.434 -1.814 1.00 0.00 H new ATOM 623 N ILE A 45 -2.960 -4.982 -0.500 1.00 0.00 N ATOM 624 CA ILE A 45 -2.504 -5.909 -1.529 1.00 0.00 C ATOM 625 C ILE A 45 -2.344 -7.318 -0.968 1.00 0.00 C ATOM 626 O ILE A 45 -1.824 -7.503 0.131 1.00 0.00 O ATOM 627 CB ILE A 45 -1.164 -5.456 -2.141 1.00 0.00 C ATOM 628 CG1 ILE A 45 -1.218 -3.969 -2.498 1.00 0.00 C ATOM 629 CG2 ILE A 45 -0.834 -6.291 -3.368 1.00 0.00 C ATOM 630 CD1 ILE A 45 -0.031 -3.500 -3.309 1.00 0.00 C ATOM 0 H ILE A 45 -2.499 -5.094 0.403 1.00 0.00 H new ATOM 0 HA ILE A 45 -3.266 -5.916 -2.308 1.00 0.00 H new ATOM 0 HB ILE A 45 -0.375 -5.604 -1.403 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -2.132 -3.771 -3.058 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -1.274 -3.385 -1.580 1.00 0.00 H new ATOM 0 HG21 ILE A 45 0.115 -5.959 -3.789 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -0.758 -7.341 -3.084 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -1.622 -6.172 -4.112 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -0.136 -2.437 -3.526 1.00 0.00 H new ATOM 0 HD12 ILE A 45 0.885 -3.666 -2.742 1.00 0.00 H new ATOM 0 HD13 ILE A 45 0.014 -4.058 -4.244 1.00 0.00 H new ATOM 642 N ASN A 46 -2.793 -8.307 -1.733 1.00 0.00 N ATOM 643 CA ASN A 46 -2.699 -9.701 -1.313 1.00 0.00 C ATOM 644 C ASN A 46 -1.416 -10.340 -1.833 1.00 0.00 C ATOM 645 O ASN A 46 -1.224 -10.478 -3.043 1.00 0.00 O ATOM 646 CB ASN A 46 -3.913 -10.488 -1.810 1.00 0.00 C ATOM 647 CG ASN A 46 -5.131 -9.607 -2.011 1.00 0.00 C ATOM 648 OD1 ASN A 46 -5.197 -8.827 -2.960 1.00 0.00 O ATOM 649 ND2 ASN A 46 -6.103 -9.729 -1.113 1.00 0.00 N ATOM 0 H ASN A 46 -3.225 -8.170 -2.647 1.00 0.00 H new ATOM 0 HA ASN A 46 -2.680 -9.726 -0.223 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -3.664 -10.979 -2.751 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -4.151 -11.274 -1.093 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -6.947 -9.162 -1.195 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -6.005 -10.389 -0.342 1.00 0.00 H new ATOM 656 N LEU A 47 -0.540 -10.729 -0.914 1.00 0.00 N ATOM 657 CA LEU A 47 0.726 -11.356 -1.280 1.00 0.00 C ATOM 658 C LEU A 47 0.506 -12.784 -1.768 1.00 0.00 C ATOM 659 O LEU A 47 0.955 -13.156 -2.852 1.00 0.00 O ATOM 660 CB LEU A 47 1.681 -11.355 -0.084 1.00 0.00 C ATOM 661 CG LEU A 47 3.173 -11.347 -0.419 1.00 0.00 C ATOM 662 CD1 LEU A 47 4.004 -11.248 0.851 1.00 0.00 C ATOM 663 CD2 LEU A 47 3.551 -12.591 -1.210 1.00 0.00 C ATOM 0 H LEU A 47 -0.682 -10.622 0.090 1.00 0.00 H new ATOM 0 HA LEU A 47 1.168 -10.779 -2.092 1.00 0.00 H new ATOM 0 HB2 LEU A 47 1.462 -10.482 0.530 1.00 0.00 H new ATOM 0 HB3 LEU A 47 1.470 -12.234 0.525 1.00 0.00 H new ATOM 0 HG LEU A 47 3.382 -10.473 -1.036 1.00 0.00 H new ATOM 0 HD11 LEU A 47 5.063 -11.244 0.593 1.00 0.00 H new ATOM 0 HD12 LEU A 47 3.755 -10.327 1.378 1.00 0.00 H new ATOM 0 HD13 LEU A 47 3.790 -12.102 1.493 1.00 0.00 H new ATOM 0 HD21 LEU A 47 4.616 -12.567 -1.439 1.00 0.00 H new ATOM 0 HD22 LEU A 47 3.327 -13.480 -0.620 1.00 0.00 H new ATOM 0 HD23 LEU A 47 2.981 -12.619 -2.139 1.00 0.00 H new ATOM 675 N GLY A 48 -0.191 -13.579 -0.962 1.00 0.00 N ATOM 676 CA GLY A 48 -0.459 -14.956 -1.330 1.00 0.00 C ATOM 677 C GLY A 48 0.177 -15.948 -0.376 1.00 0.00 C ATOM 678 O GLY A 48 1.364 -16.253 -0.489 1.00 0.00 O ATOM 0 H GLY A 48 -0.575 -13.294 -0.061 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -1.536 -15.119 -1.353 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -0.087 -15.138 -2.338 1.00 0.00 H new ATOM 682 N SER A 49 -0.613 -16.450 0.567 1.00 0.00 N ATOM 683 CA SER A 49 -0.118 -17.408 1.549 1.00 0.00 C ATOM 684 C SER A 49 0.914 -16.760 2.468 1.00 0.00 C ATOM 685 O SER A 49 1.341 -15.628 2.242 1.00 0.00 O ATOM 686 CB SER A 49 0.498 -18.619 0.846 1.00 0.00 C ATOM 687 OG SER A 49 -0.332 -19.073 -0.209 1.00 0.00 O ATOM 0 H SER A 49 -1.599 -16.209 0.672 1.00 0.00 H new ATOM 0 HA SER A 49 -0.962 -17.739 2.155 1.00 0.00 H new ATOM 0 HB2 SER A 49 1.480 -18.355 0.453 1.00 0.00 H new ATOM 0 HB3 SER A 49 0.649 -19.423 1.566 1.00 0.00 H new ATOM 0 HG SER A 49 0.085 -19.846 -0.643 1.00 0.00 H new ATOM 693 N THR A 50 1.310 -17.487 3.508 1.00 0.00 N ATOM 694 CA THR A 50 2.290 -16.985 4.462 1.00 0.00 C ATOM 695 C THR A 50 3.673 -16.882 3.828 1.00 0.00 C ATOM 696 O THR A 50 4.218 -17.872 3.342 1.00 0.00 O ATOM 697 CB THR A 50 2.375 -17.888 5.707 1.00 0.00 C ATOM 698 OG1 THR A 50 1.879 -19.195 5.400 1.00 0.00 O ATOM 699 CG2 THR A 50 1.580 -17.296 6.861 1.00 0.00 C ATOM 0 H THR A 50 0.967 -18.426 3.711 1.00 0.00 H new ATOM 0 HA THR A 50 1.957 -15.992 4.764 1.00 0.00 H new ATOM 0 HB THR A 50 3.421 -17.958 6.006 1.00 0.00 H new ATOM 0 HG1 THR A 50 1.938 -19.763 6.197 1.00 0.00 H new ATOM 0 HG21 THR A 50 1.655 -17.951 7.729 1.00 0.00 H new ATOM 0 HG22 THR A 50 1.980 -16.314 7.112 1.00 0.00 H new ATOM 0 HG23 THR A 50 0.534 -17.198 6.570 1.00 0.00 H new ATOM 707 N GLN A 51 4.235 -15.678 3.838 1.00 0.00 N ATOM 708 CA GLN A 51 5.555 -15.446 3.263 1.00 0.00 C ATOM 709 C GLN A 51 6.372 -14.501 4.139 1.00 0.00 C ATOM 710 O GLN A 51 5.835 -13.560 4.722 1.00 0.00 O ATOM 711 CB GLN A 51 5.426 -14.870 1.853 1.00 0.00 C ATOM 712 CG GLN A 51 4.415 -15.602 0.986 1.00 0.00 C ATOM 713 CD GLN A 51 4.886 -16.987 0.583 1.00 0.00 C ATOM 714 OE1 GLN A 51 4.167 -17.972 0.749 1.00 0.00 O ATOM 715 NE2 GLN A 51 6.100 -17.068 0.052 1.00 0.00 N ATOM 0 H GLN A 51 3.797 -14.848 4.238 1.00 0.00 H new ATOM 0 HA GLN A 51 6.074 -16.403 3.210 1.00 0.00 H new ATOM 0 HB2 GLN A 51 5.139 -13.821 1.923 1.00 0.00 H new ATOM 0 HB3 GLN A 51 6.401 -14.902 1.366 1.00 0.00 H new ATOM 0 HG2 GLN A 51 3.472 -15.686 1.526 1.00 0.00 H new ATOM 0 HG3 GLN A 51 4.218 -15.014 0.090 1.00 0.00 H new ATOM 0 HE21 GLN A 51 6.662 -16.225 -0.067 1.00 0.00 H new ATOM 0 HE22 GLN A 51 6.471 -17.973 -0.237 1.00 0.00 H new ATOM 724 N SER A 52 7.673 -14.760 4.227 1.00 0.00 N ATOM 725 CA SER A 52 8.564 -13.935 5.035 1.00 0.00 C ATOM 726 C SER A 52 8.944 -12.658 4.291 1.00 0.00 C ATOM 727 O SER A 52 9.293 -12.694 3.112 1.00 0.00 O ATOM 728 CB SER A 52 9.825 -14.718 5.403 1.00 0.00 C ATOM 729 OG SER A 52 10.603 -15.001 4.253 1.00 0.00 O ATOM 0 H SER A 52 8.133 -15.534 3.749 1.00 0.00 H new ATOM 0 HA SER A 52 8.036 -13.660 5.948 1.00 0.00 H new ATOM 0 HB2 SER A 52 10.418 -14.144 6.115 1.00 0.00 H new ATOM 0 HB3 SER A 52 9.548 -15.649 5.897 1.00 0.00 H new ATOM 0 HG SER A 52 11.404 -15.501 4.515 1.00 0.00 H new ATOM 735 N ILE A 53 8.872 -11.530 4.992 1.00 0.00 N ATOM 736 CA ILE A 53 9.208 -10.242 4.400 1.00 0.00 C ATOM 737 C ILE A 53 10.298 -9.537 5.201 1.00 0.00 C ATOM 738 O ILE A 53 10.390 -9.699 6.418 1.00 0.00 O ATOM 739 CB ILE A 53 7.976 -9.323 4.313 1.00 0.00 C ATOM 740 CG1 ILE A 53 6.998 -9.636 5.446 1.00 0.00 C ATOM 741 CG2 ILE A 53 7.296 -9.478 2.961 1.00 0.00 C ATOM 742 CD1 ILE A 53 5.821 -8.686 5.509 1.00 0.00 C ATOM 0 H ILE A 53 8.584 -11.483 5.969 1.00 0.00 H new ATOM 0 HA ILE A 53 9.572 -10.444 3.393 1.00 0.00 H new ATOM 0 HB ILE A 53 8.304 -8.289 4.417 1.00 0.00 H new ATOM 0 HG12 ILE A 53 6.627 -10.654 5.324 1.00 0.00 H new ATOM 0 HG13 ILE A 53 7.532 -9.603 6.396 1.00 0.00 H new ATOM 0 HG21 ILE A 53 6.427 -8.822 2.914 1.00 0.00 H new ATOM 0 HG22 ILE A 53 7.996 -9.211 2.169 1.00 0.00 H new ATOM 0 HG23 ILE A 53 6.978 -10.512 2.830 1.00 0.00 H new ATOM 0 HD11 ILE A 53 5.169 -8.968 6.336 1.00 0.00 H new ATOM 0 HD12 ILE A 53 6.182 -7.669 5.662 1.00 0.00 H new ATOM 0 HD13 ILE A 53 5.263 -8.736 4.574 1.00 0.00 H new ATOM 754 N SER A 54 11.120 -8.753 4.511 1.00 0.00 N ATOM 755 CA SER A 54 12.204 -8.024 5.157 1.00 0.00 C ATOM 756 C SER A 54 11.929 -6.524 5.153 1.00 0.00 C ATOM 757 O SER A 54 11.688 -5.922 6.200 1.00 0.00 O ATOM 758 CB SER A 54 13.532 -8.313 4.454 1.00 0.00 C ATOM 759 OG SER A 54 13.389 -8.241 3.046 1.00 0.00 O ATOM 0 H SER A 54 11.055 -8.607 3.504 1.00 0.00 H new ATOM 0 HA SER A 54 12.268 -8.361 6.192 1.00 0.00 H new ATOM 0 HB2 SER A 54 14.285 -7.597 4.783 1.00 0.00 H new ATOM 0 HB3 SER A 54 13.889 -9.303 4.736 1.00 0.00 H new ATOM 0 HG SER A 54 14.251 -8.428 2.620 1.00 0.00 H new ATOM 765 N ARG A 55 11.968 -5.925 3.967 1.00 0.00 N ATOM 766 CA ARG A 55 11.724 -4.495 3.826 1.00 0.00 C ATOM 767 C ARG A 55 10.889 -4.206 2.581 1.00 0.00 C ATOM 768 O ARG A 55 11.080 -4.827 1.535 1.00 0.00 O ATOM 769 CB ARG A 55 13.050 -3.735 3.751 1.00 0.00 C ATOM 770 CG ARG A 55 13.966 -4.217 2.639 1.00 0.00 C ATOM 771 CD ARG A 55 14.039 -3.211 1.501 1.00 0.00 C ATOM 772 NE ARG A 55 14.171 -3.863 0.201 1.00 0.00 N ATOM 773 CZ ARG A 55 14.093 -3.217 -0.957 1.00 0.00 C ATOM 774 NH1 ARG A 55 13.885 -1.908 -0.976 1.00 0.00 N ATOM 775 NH2 ARG A 55 14.224 -3.881 -2.098 1.00 0.00 N ATOM 0 H ARG A 55 12.166 -6.408 3.091 1.00 0.00 H new ATOM 0 HA ARG A 55 11.169 -4.158 4.701 1.00 0.00 H new ATOM 0 HB2 ARG A 55 12.844 -2.675 3.606 1.00 0.00 H new ATOM 0 HB3 ARG A 55 13.569 -3.831 4.705 1.00 0.00 H new ATOM 0 HG2 ARG A 55 14.965 -4.389 3.039 1.00 0.00 H new ATOM 0 HG3 ARG A 55 13.606 -5.173 2.258 1.00 0.00 H new ATOM 0 HD2 ARG A 55 13.142 -2.592 1.506 1.00 0.00 H new ATOM 0 HD3 ARG A 55 14.887 -2.545 1.660 1.00 0.00 H new ATOM 0 HE ARG A 55 14.332 -4.870 0.181 1.00 0.00 H new ATOM 0 HH11 ARG A 55 13.785 -1.395 -0.100 1.00 0.00 H new ATOM 0 HH12 ARG A 55 13.825 -1.414 -1.866 1.00 0.00 H new ATOM 0 HH21 ARG A 55 14.385 -4.888 -2.086 1.00 0.00 H new ATOM 0 HH22 ARG A 55 14.164 -3.384 -2.987 1.00 0.00 H new ATOM 789 N VAL A 56 9.963 -3.260 2.702 1.00 0.00 N ATOM 790 CA VAL A 56 9.100 -2.889 1.588 1.00 0.00 C ATOM 791 C VAL A 56 9.339 -1.443 1.165 1.00 0.00 C ATOM 792 O VAL A 56 9.518 -0.561 2.004 1.00 0.00 O ATOM 793 CB VAL A 56 7.613 -3.068 1.946 1.00 0.00 C ATOM 794 CG1 VAL A 56 6.745 -2.947 0.703 1.00 0.00 C ATOM 795 CG2 VAL A 56 7.388 -4.406 2.635 1.00 0.00 C ATOM 0 H VAL A 56 9.792 -2.737 3.561 1.00 0.00 H new ATOM 0 HA VAL A 56 9.349 -3.553 0.760 1.00 0.00 H new ATOM 0 HB VAL A 56 7.327 -2.276 2.638 1.00 0.00 H new ATOM 0 HG11 VAL A 56 5.698 -3.076 0.976 1.00 0.00 H new ATOM 0 HG12 VAL A 56 6.884 -1.963 0.256 1.00 0.00 H new ATOM 0 HG13 VAL A 56 7.030 -3.715 -0.016 1.00 0.00 H new ATOM 0 HG21 VAL A 56 6.332 -4.516 2.881 1.00 0.00 H new ATOM 0 HG22 VAL A 56 7.691 -5.214 1.969 1.00 0.00 H new ATOM 0 HG23 VAL A 56 7.980 -4.448 3.549 1.00 0.00 H new ATOM 805 N LYS A 57 9.340 -1.208 -0.143 1.00 0.00 N ATOM 806 CA LYS A 57 9.554 0.131 -0.680 1.00 0.00 C ATOM 807 C LYS A 57 8.361 0.580 -1.516 1.00 0.00 C ATOM 808 O LYS A 57 7.943 -0.114 -2.444 1.00 0.00 O ATOM 809 CB LYS A 57 10.827 0.163 -1.529 1.00 0.00 C ATOM 810 CG LYS A 57 11.357 1.565 -1.778 1.00 0.00 C ATOM 811 CD LYS A 57 12.529 1.555 -2.744 1.00 0.00 C ATOM 812 CE LYS A 57 13.420 2.772 -2.552 1.00 0.00 C ATOM 813 NZ LYS A 57 14.863 2.434 -2.705 1.00 0.00 N ATOM 0 H LYS A 57 9.195 -1.928 -0.851 1.00 0.00 H new ATOM 0 HA LYS A 57 9.665 0.819 0.158 1.00 0.00 H new ATOM 0 HB2 LYS A 57 11.599 -0.426 -1.033 1.00 0.00 H new ATOM 0 HB3 LYS A 57 10.627 -0.316 -2.487 1.00 0.00 H new ATOM 0 HG2 LYS A 57 10.559 2.190 -2.179 1.00 0.00 H new ATOM 0 HG3 LYS A 57 11.667 2.011 -0.833 1.00 0.00 H new ATOM 0 HD2 LYS A 57 13.115 0.647 -2.598 1.00 0.00 H new ATOM 0 HD3 LYS A 57 12.157 1.533 -3.768 1.00 0.00 H new ATOM 0 HE2 LYS A 57 13.148 3.539 -3.277 1.00 0.00 H new ATOM 0 HE3 LYS A 57 13.249 3.194 -1.562 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 15.437 3.290 -2.567 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 15.129 1.721 -1.997 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 15.031 2.055 -3.659 1.00 0.00 H new ATOM 827 N LEU A 58 7.816 1.744 -1.183 1.00 0.00 N ATOM 828 CA LEU A 58 6.671 2.288 -1.905 1.00 0.00 C ATOM 829 C LEU A 58 6.855 3.777 -2.177 1.00 0.00 C ATOM 830 O LEU A 58 7.536 4.476 -1.428 1.00 0.00 O ATOM 831 CB LEU A 58 5.385 2.059 -1.108 1.00 0.00 C ATOM 832 CG LEU A 58 5.170 2.976 0.097 1.00 0.00 C ATOM 833 CD1 LEU A 58 3.798 3.628 0.033 1.00 0.00 C ATOM 834 CD2 LEU A 58 5.334 2.199 1.394 1.00 0.00 C ATOM 0 H LEU A 58 8.148 2.330 -0.417 1.00 0.00 H new ATOM 0 HA LEU A 58 6.597 1.770 -2.861 1.00 0.00 H new ATOM 0 HB2 LEU A 58 4.537 2.175 -1.783 1.00 0.00 H new ATOM 0 HB3 LEU A 58 5.376 1.026 -0.760 1.00 0.00 H new ATOM 0 HG LEU A 58 5.924 3.762 0.071 1.00 0.00 H new ATOM 0 HD11 LEU A 58 3.663 4.277 0.898 1.00 0.00 H new ATOM 0 HD12 LEU A 58 3.718 4.219 -0.880 1.00 0.00 H new ATOM 0 HD13 LEU A 58 3.028 2.856 0.034 1.00 0.00 H new ATOM 0 HD21 LEU A 58 5.178 2.867 2.241 1.00 0.00 H new ATOM 0 HD22 LEU A 58 4.603 1.391 1.429 1.00 0.00 H new ATOM 0 HD23 LEU A 58 6.339 1.781 1.443 1.00 0.00 H new ATOM 846 N ASN A 59 6.242 4.257 -3.254 1.00 0.00 N ATOM 847 CA ASN A 59 6.336 5.664 -3.625 1.00 0.00 C ATOM 848 C ASN A 59 4.970 6.339 -3.554 1.00 0.00 C ATOM 849 O ASN A 59 3.941 5.706 -3.789 1.00 0.00 O ATOM 850 CB ASN A 59 6.915 5.805 -5.035 1.00 0.00 C ATOM 851 CG ASN A 59 7.200 7.247 -5.402 1.00 0.00 C ATOM 852 OD1 ASN A 59 7.340 8.106 -4.530 1.00 0.00 O ATOM 853 ND2 ASN A 59 7.288 7.522 -6.699 1.00 0.00 N ATOM 0 H ASN A 59 5.674 3.692 -3.886 1.00 0.00 H new ATOM 0 HA ASN A 59 7.001 6.156 -2.916 1.00 0.00 H new ATOM 0 HB2 ASN A 59 7.836 5.226 -5.106 1.00 0.00 H new ATOM 0 HB3 ASN A 59 6.216 5.381 -5.756 1.00 0.00 H new ATOM 0 HD21 ASN A 59 7.478 8.476 -7.006 1.00 0.00 H new ATOM 0 HD22 ASN A 59 7.165 6.779 -7.387 1.00 0.00 H new ATOM 860 N TRP A 60 4.969 7.627 -3.230 1.00 0.00 N ATOM 861 CA TRP A 60 3.729 8.388 -3.130 1.00 0.00 C ATOM 862 C TRP A 60 3.649 9.445 -4.226 1.00 0.00 C ATOM 863 O TRP A 60 2.744 10.280 -4.230 1.00 0.00 O ATOM 864 CB TRP A 60 3.625 9.053 -1.756 1.00 0.00 C ATOM 865 CG TRP A 60 2.297 8.839 -1.092 1.00 0.00 C ATOM 866 CD1 TRP A 60 1.156 9.560 -1.293 1.00 0.00 C ATOM 867 CD2 TRP A 60 1.977 7.839 -0.120 1.00 0.00 C ATOM 868 NE1 TRP A 60 0.145 9.068 -0.504 1.00 0.00 N ATOM 869 CE2 TRP A 60 0.623 8.012 0.225 1.00 0.00 C ATOM 870 CE3 TRP A 60 2.702 6.812 0.491 1.00 0.00 C ATOM 871 CZ2 TRP A 60 -0.018 7.196 1.154 1.00 0.00 C ATOM 872 CZ3 TRP A 60 2.065 6.004 1.414 1.00 0.00 C ATOM 873 CH2 TRP A 60 0.715 6.199 1.738 1.00 0.00 C ATOM 0 H TRP A 60 5.812 8.166 -3.032 1.00 0.00 H new ATOM 0 HA TRP A 60 2.896 7.696 -3.256 1.00 0.00 H new ATOM 0 HB2 TRP A 60 4.413 8.664 -1.111 1.00 0.00 H new ATOM 0 HB3 TRP A 60 3.801 10.123 -1.864 1.00 0.00 H new ATOM 0 HD1 TRP A 60 1.062 10.394 -1.972 1.00 0.00 H new ATOM 0 HE1 TRP A 60 -0.808 9.431 -0.467 1.00 0.00 H new ATOM 0 HE3 TRP A 60 3.742 6.653 0.246 1.00 0.00 H new ATOM 0 HZ2 TRP A 60 -1.058 7.345 1.405 1.00 0.00 H new ATOM 0 HZ3 TRP A 60 2.617 5.209 1.894 1.00 0.00 H new ATOM 0 HH2 TRP A 60 0.245 5.550 2.462 1.00 0.00 H new ATOM 884 N GLU A 61 4.598 9.402 -5.155 1.00 0.00 N ATOM 885 CA GLU A 61 4.632 10.357 -6.256 1.00 0.00 C ATOM 886 C GLU A 61 4.476 11.786 -5.743 1.00 0.00 C ATOM 887 O GLU A 61 4.668 12.055 -4.557 1.00 0.00 O ATOM 888 CB GLU A 61 3.529 10.043 -7.268 1.00 0.00 C ATOM 889 CG GLU A 61 3.998 10.081 -8.713 1.00 0.00 C ATOM 890 CD GLU A 61 5.087 9.065 -8.999 1.00 0.00 C ATOM 891 OE1 GLU A 61 4.850 7.861 -8.765 1.00 0.00 O ATOM 892 OE2 GLU A 61 6.174 9.473 -9.458 1.00 0.00 O ATOM 0 H GLU A 61 5.353 8.717 -5.167 1.00 0.00 H new ATOM 0 HA GLU A 61 5.601 10.270 -6.748 1.00 0.00 H new ATOM 0 HB2 GLU A 61 3.121 9.055 -7.053 1.00 0.00 H new ATOM 0 HB3 GLU A 61 2.716 10.758 -7.140 1.00 0.00 H new ATOM 0 HG2 GLU A 61 3.150 9.894 -9.372 1.00 0.00 H new ATOM 0 HG3 GLU A 61 4.368 11.080 -8.945 1.00 0.00 H new ATOM 899 N ASP A 62 4.123 12.696 -6.644 1.00 0.00 N ATOM 900 CA ASP A 62 3.940 14.097 -6.282 1.00 0.00 C ATOM 901 C ASP A 62 3.097 14.226 -5.018 1.00 0.00 C ATOM 902 O ASP A 62 3.359 15.079 -4.170 1.00 0.00 O ATOM 903 CB ASP A 62 3.278 14.860 -7.432 1.00 0.00 C ATOM 904 CG ASP A 62 4.219 15.074 -8.601 1.00 0.00 C ATOM 905 OD1 ASP A 62 5.085 14.206 -8.833 1.00 0.00 O ATOM 906 OD2 ASP A 62 4.089 16.112 -9.285 1.00 0.00 O ATOM 0 H ASP A 62 3.958 12.489 -7.629 1.00 0.00 H new ATOM 0 HA ASP A 62 4.922 14.528 -6.087 1.00 0.00 H new ATOM 0 HB2 ASP A 62 2.400 14.310 -7.772 1.00 0.00 H new ATOM 0 HB3 ASP A 62 2.928 15.826 -7.069 1.00 0.00 H new ATOM 911 N ALA A 63 2.082 13.376 -4.900 1.00 0.00 N ATOM 912 CA ALA A 63 1.201 13.395 -3.739 1.00 0.00 C ATOM 913 C ALA A 63 1.991 13.213 -2.447 1.00 0.00 C ATOM 914 O ALA A 63 2.537 12.140 -2.188 1.00 0.00 O ATOM 915 CB ALA A 63 0.138 12.314 -3.866 1.00 0.00 C ATOM 0 H ALA A 63 1.850 12.666 -5.594 1.00 0.00 H new ATOM 0 HA ALA A 63 0.712 14.368 -3.701 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -0.513 12.339 -2.992 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -0.454 12.489 -4.765 1.00 0.00 H new ATOM 0 HB3 ALA A 63 0.618 11.338 -3.932 1.00 0.00 H new ATOM 921 N TYR A 64 2.048 14.267 -1.641 1.00 0.00 N ATOM 922 CA TYR A 64 2.775 14.223 -0.377 1.00 0.00 C ATOM 923 C TYR A 64 1.810 14.166 0.803 1.00 0.00 C ATOM 924 O TYR A 64 0.870 14.954 0.889 1.00 0.00 O ATOM 925 CB TYR A 64 3.686 15.445 -0.247 1.00 0.00 C ATOM 926 CG TYR A 64 2.937 16.739 -0.028 1.00 0.00 C ATOM 927 CD1 TYR A 64 2.505 17.506 -1.103 1.00 0.00 C ATOM 928 CD2 TYR A 64 2.661 17.196 1.255 1.00 0.00 C ATOM 929 CE1 TYR A 64 1.820 18.690 -0.907 1.00 0.00 C ATOM 930 CE2 TYR A 64 1.976 18.378 1.460 1.00 0.00 C ATOM 931 CZ TYR A 64 1.558 19.121 0.377 1.00 0.00 C ATOM 932 OH TYR A 64 0.876 20.299 0.577 1.00 0.00 O ATOM 0 H TYR A 64 1.600 15.162 -1.840 1.00 0.00 H new ATOM 0 HA TYR A 64 3.386 13.320 -0.368 1.00 0.00 H new ATOM 0 HB2 TYR A 64 4.374 15.288 0.584 1.00 0.00 H new ATOM 0 HB3 TYR A 64 4.291 15.534 -1.149 1.00 0.00 H new ATOM 0 HD1 TYR A 64 2.708 17.171 -2.109 1.00 0.00 H new ATOM 0 HD2 TYR A 64 2.988 16.617 2.106 1.00 0.00 H new ATOM 0 HE1 TYR A 64 1.492 19.274 -1.754 1.00 0.00 H new ATOM 0 HE2 TYR A 64 1.769 18.718 2.464 1.00 0.00 H new ATOM 0 HH TYR A 64 0.773 20.458 1.538 1.00 0.00 H new ATOM 942 N ALA A 65 2.053 13.227 1.712 1.00 0.00 N ATOM 943 CA ALA A 65 1.209 13.068 2.890 1.00 0.00 C ATOM 944 C ALA A 65 1.961 13.451 4.160 1.00 0.00 C ATOM 945 O ALA A 65 3.192 13.495 4.177 1.00 0.00 O ATOM 946 CB ALA A 65 0.702 11.636 2.986 1.00 0.00 C ATOM 0 H ALA A 65 2.827 12.565 1.655 1.00 0.00 H new ATOM 0 HA ALA A 65 0.356 13.738 2.788 1.00 0.00 H new ATOM 0 HB1 ALA A 65 0.073 11.531 3.870 1.00 0.00 H new ATOM 0 HB2 ALA A 65 0.120 11.396 2.096 1.00 0.00 H new ATOM 0 HB3 ALA A 65 1.549 10.954 3.061 1.00 0.00 H new ATOM 952 N THR A 66 1.213 13.728 5.224 1.00 0.00 N ATOM 953 CA THR A 66 1.810 14.110 6.498 1.00 0.00 C ATOM 954 C THR A 66 2.377 12.896 7.225 1.00 0.00 C ATOM 955 O THR A 66 3.216 13.029 8.115 1.00 0.00 O ATOM 956 CB THR A 66 0.784 14.808 7.411 1.00 0.00 C ATOM 957 OG1 THR A 66 1.458 15.485 8.477 1.00 0.00 O ATOM 958 CG2 THR A 66 -0.201 13.801 7.986 1.00 0.00 C ATOM 0 H THR A 66 0.194 13.695 5.229 1.00 0.00 H new ATOM 0 HA THR A 66 2.618 14.806 6.273 1.00 0.00 H new ATOM 0 HB THR A 66 0.232 15.533 6.813 1.00 0.00 H new ATOM 0 HG1 THR A 66 2.166 14.909 8.834 1.00 0.00 H new ATOM 0 HG21 THR A 66 -0.916 14.317 8.627 1.00 0.00 H new ATOM 0 HG22 THR A 66 -0.733 13.308 7.173 1.00 0.00 H new ATOM 0 HG23 THR A 66 0.339 13.056 8.570 1.00 0.00 H new ATOM 966 N ALA A 67 1.913 11.711 6.839 1.00 0.00 N ATOM 967 CA ALA A 67 2.377 10.473 7.453 1.00 0.00 C ATOM 968 C ALA A 67 1.681 9.263 6.840 1.00 0.00 C ATOM 969 O ALA A 67 0.551 9.360 6.363 1.00 0.00 O ATOM 970 CB ALA A 67 2.148 10.511 8.957 1.00 0.00 C ATOM 0 H ALA A 67 1.217 11.583 6.105 1.00 0.00 H new ATOM 0 HA ALA A 67 3.446 10.380 7.262 1.00 0.00 H new ATOM 0 HB1 ALA A 67 2.499 9.580 9.402 1.00 0.00 H new ATOM 0 HB2 ALA A 67 2.697 11.349 9.388 1.00 0.00 H new ATOM 0 HB3 ALA A 67 1.084 10.631 9.160 1.00 0.00 H new ATOM 976 N TYR A 68 2.363 8.123 6.857 1.00 0.00 N ATOM 977 CA TYR A 68 1.811 6.894 6.300 1.00 0.00 C ATOM 978 C TYR A 68 1.846 5.766 7.328 1.00 0.00 C ATOM 979 O TYR A 68 2.513 5.869 8.357 1.00 0.00 O ATOM 980 CB TYR A 68 2.588 6.482 5.048 1.00 0.00 C ATOM 981 CG TYR A 68 3.316 7.628 4.383 1.00 0.00 C ATOM 982 CD1 TYR A 68 4.618 7.952 4.743 1.00 0.00 C ATOM 983 CD2 TYR A 68 2.700 8.389 3.397 1.00 0.00 C ATOM 984 CE1 TYR A 68 5.287 8.999 4.138 1.00 0.00 C ATOM 985 CE2 TYR A 68 3.362 9.436 2.786 1.00 0.00 C ATOM 986 CZ TYR A 68 4.655 9.737 3.160 1.00 0.00 C ATOM 987 OH TYR A 68 5.315 10.781 2.554 1.00 0.00 O ATOM 0 H TYR A 68 3.299 8.025 7.250 1.00 0.00 H new ATOM 0 HA TYR A 68 0.772 7.083 6.029 1.00 0.00 H new ATOM 0 HB2 TYR A 68 3.310 5.711 5.316 1.00 0.00 H new ATOM 0 HB3 TYR A 68 1.897 6.037 4.332 1.00 0.00 H new ATOM 0 HD1 TYR A 68 5.116 7.376 5.509 1.00 0.00 H new ATOM 0 HD2 TYR A 68 1.687 8.158 3.103 1.00 0.00 H new ATOM 0 HE1 TYR A 68 6.299 9.238 4.430 1.00 0.00 H new ATOM 0 HE2 TYR A 68 2.870 10.016 2.019 1.00 0.00 H new ATOM 0 HH TYR A 68 4.729 11.196 1.887 1.00 0.00 H new ATOM 997 N SER A 69 1.121 4.690 7.039 1.00 0.00 N ATOM 998 CA SER A 69 1.065 3.544 7.939 1.00 0.00 C ATOM 999 C SER A 69 1.030 2.236 7.152 1.00 0.00 C ATOM 1000 O SER A 69 0.354 2.134 6.129 1.00 0.00 O ATOM 1001 CB SER A 69 -0.163 3.638 8.846 1.00 0.00 C ATOM 1002 OG SER A 69 0.077 4.506 9.941 1.00 0.00 O ATOM 0 H SER A 69 0.565 4.588 6.190 1.00 0.00 H new ATOM 0 HA SER A 69 1.964 3.555 8.555 1.00 0.00 H new ATOM 0 HB2 SER A 69 -1.016 3.999 8.272 1.00 0.00 H new ATOM 0 HB3 SER A 69 -0.424 2.646 9.215 1.00 0.00 H new ATOM 0 HG SER A 69 0.844 5.082 9.740 1.00 0.00 H new ATOM 1008 N ILE A 70 1.765 1.242 7.637 1.00 0.00 N ATOM 1009 CA ILE A 70 1.819 -0.059 6.981 1.00 0.00 C ATOM 1010 C ILE A 70 1.364 -1.169 7.922 1.00 0.00 C ATOM 1011 O ILE A 70 1.686 -1.158 9.109 1.00 0.00 O ATOM 1012 CB ILE A 70 3.238 -0.377 6.476 1.00 0.00 C ATOM 1013 CG1 ILE A 70 3.234 -0.561 4.958 1.00 0.00 C ATOM 1014 CG2 ILE A 70 3.778 -1.622 7.164 1.00 0.00 C ATOM 1015 CD1 ILE A 70 4.619 -0.636 4.353 1.00 0.00 C ATOM 0 H ILE A 70 2.332 1.312 8.482 1.00 0.00 H new ATOM 0 HA ILE A 70 1.142 -0.010 6.128 1.00 0.00 H new ATOM 0 HB ILE A 70 3.890 0.462 6.719 1.00 0.00 H new ATOM 0 HG12 ILE A 70 2.690 -1.473 4.712 1.00 0.00 H new ATOM 0 HG13 ILE A 70 2.692 0.267 4.501 1.00 0.00 H new ATOM 0 HG21 ILE A 70 4.782 -1.834 6.797 1.00 0.00 H new ATOM 0 HG22 ILE A 70 3.813 -1.456 8.241 1.00 0.00 H new ATOM 0 HG23 ILE A 70 3.126 -2.469 6.948 1.00 0.00 H new ATOM 0 HD11 ILE A 70 4.538 -0.767 3.274 1.00 0.00 H new ATOM 0 HD12 ILE A 70 5.160 0.286 4.567 1.00 0.00 H new ATOM 0 HD13 ILE A 70 5.158 -1.481 4.781 1.00 0.00 H new ATOM 1027 N GLN A 71 0.616 -2.126 7.382 1.00 0.00 N ATOM 1028 CA GLN A 71 0.119 -3.244 8.174 1.00 0.00 C ATOM 1029 C GLN A 71 0.081 -4.525 7.346 1.00 0.00 C ATOM 1030 O GLN A 71 0.305 -4.500 6.135 1.00 0.00 O ATOM 1031 CB GLN A 71 -1.277 -2.932 8.716 1.00 0.00 C ATOM 1032 CG GLN A 71 -1.437 -1.500 9.198 1.00 0.00 C ATOM 1033 CD GLN A 71 -2.677 -1.303 10.046 1.00 0.00 C ATOM 1034 OE1 GLN A 71 -3.509 -0.441 9.759 1.00 0.00 O ATOM 1035 NE2 GLN A 71 -2.810 -2.104 11.096 1.00 0.00 N ATOM 0 H GLN A 71 0.341 -2.149 6.400 1.00 0.00 H new ATOM 0 HA GLN A 71 0.801 -3.394 9.011 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -2.013 -3.128 7.936 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -1.498 -3.611 9.540 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -0.558 -1.215 9.776 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -1.482 -0.834 8.336 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -2.096 -2.805 11.297 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -3.626 -2.019 11.702 1.00 0.00 H new ATOM 1044 N VAL A 72 -0.202 -5.643 8.007 1.00 0.00 N ATOM 1045 CA VAL A 72 -0.270 -6.934 7.330 1.00 0.00 C ATOM 1046 C VAL A 72 -1.191 -7.894 8.073 1.00 0.00 C ATOM 1047 O VAL A 72 -1.577 -7.644 9.215 1.00 0.00 O ATOM 1048 CB VAL A 72 1.126 -7.573 7.202 1.00 0.00 C ATOM 1049 CG1 VAL A 72 1.925 -6.893 6.101 1.00 0.00 C ATOM 1050 CG2 VAL A 72 1.867 -7.506 8.529 1.00 0.00 C ATOM 0 H VAL A 72 -0.388 -5.682 9.009 1.00 0.00 H new ATOM 0 HA VAL A 72 -0.670 -6.750 6.333 1.00 0.00 H new ATOM 0 HB VAL A 72 1.003 -8.622 6.934 1.00 0.00 H new ATOM 0 HG11 VAL A 72 2.908 -7.357 6.025 1.00 0.00 H new ATOM 0 HG12 VAL A 72 1.400 -6.999 5.152 1.00 0.00 H new ATOM 0 HG13 VAL A 72 2.041 -5.835 6.336 1.00 0.00 H new ATOM 0 HG21 VAL A 72 2.851 -7.962 8.420 1.00 0.00 H new ATOM 0 HG22 VAL A 72 1.981 -6.465 8.830 1.00 0.00 H new ATOM 0 HG23 VAL A 72 1.301 -8.043 9.290 1.00 0.00 H new ATOM 1060 N SER A 73 -1.540 -8.997 7.417 1.00 0.00 N ATOM 1061 CA SER A 73 -2.419 -9.995 8.013 1.00 0.00 C ATOM 1062 C SER A 73 -1.614 -11.037 8.786 1.00 0.00 C ATOM 1063 O SER A 73 -0.718 -11.677 8.236 1.00 0.00 O ATOM 1064 CB SER A 73 -3.255 -10.681 6.932 1.00 0.00 C ATOM 1065 OG SER A 73 -2.585 -11.816 6.412 1.00 0.00 O ATOM 0 H SER A 73 -1.227 -9.221 6.472 1.00 0.00 H new ATOM 0 HA SER A 73 -3.085 -9.485 8.709 1.00 0.00 H new ATOM 0 HB2 SER A 73 -4.217 -10.982 7.348 1.00 0.00 H new ATOM 0 HB3 SER A 73 -3.462 -9.977 6.126 1.00 0.00 H new ATOM 0 HG SER A 73 -1.655 -11.817 6.721 1.00 0.00 H new ATOM 1071 N ASN A 74 -1.939 -11.200 10.063 1.00 0.00 N ATOM 1072 CA ASN A 74 -1.247 -12.163 10.912 1.00 0.00 C ATOM 1073 C ASN A 74 -1.840 -12.174 12.318 1.00 0.00 C ATOM 1074 O ASN A 74 -2.244 -11.136 12.841 1.00 0.00 O ATOM 1075 CB ASN A 74 0.246 -11.834 10.980 1.00 0.00 C ATOM 1076 CG ASN A 74 0.503 -10.395 11.387 1.00 0.00 C ATOM 1077 OD1 ASN A 74 0.673 -10.094 12.569 1.00 0.00 O ATOM 1078 ND2 ASN A 74 0.532 -9.499 10.408 1.00 0.00 N ATOM 0 H ASN A 74 -2.678 -10.678 10.534 1.00 0.00 H new ATOM 0 HA ASN A 74 -1.375 -13.153 10.474 1.00 0.00 H new ATOM 0 HB2 ASN A 74 0.730 -12.502 11.692 1.00 0.00 H new ATOM 0 HB3 ASN A 74 0.701 -12.020 10.007 1.00 0.00 H new ATOM 0 HD21 ASN A 74 0.700 -8.516 10.621 1.00 0.00 H new ATOM 0 HD22 ASN A 74 0.386 -9.794 9.442 1.00 0.00 H new ATOM 1085 N ASP A 75 -1.888 -13.355 12.924 1.00 0.00 N ATOM 1086 CA ASP A 75 -2.431 -13.502 14.270 1.00 0.00 C ATOM 1087 C ASP A 75 -2.255 -14.932 14.772 1.00 0.00 C ATOM 1088 O ASP A 75 -1.870 -15.154 15.920 1.00 0.00 O ATOM 1089 CB ASP A 75 -3.911 -13.120 14.291 1.00 0.00 C ATOM 1090 CG ASP A 75 -4.373 -12.669 15.662 1.00 0.00 C ATOM 1091 OD1 ASP A 75 -3.513 -12.502 16.552 1.00 0.00 O ATOM 1092 OD2 ASP A 75 -5.594 -12.483 15.847 1.00 0.00 O ATOM 0 H ASP A 75 -1.558 -14.224 12.505 1.00 0.00 H new ATOM 0 HA ASP A 75 -1.882 -12.832 14.932 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -4.087 -12.321 13.571 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -4.508 -13.974 13.972 1.00 0.00 H new ATOM 1097 N SER A 76 -2.543 -15.898 13.906 1.00 0.00 N ATOM 1098 CA SER A 76 -2.421 -17.307 14.264 1.00 0.00 C ATOM 1099 C SER A 76 -1.250 -17.954 13.532 1.00 0.00 C ATOM 1100 O SER A 76 -0.991 -19.147 13.685 1.00 0.00 O ATOM 1101 CB SER A 76 -3.716 -18.052 13.935 1.00 0.00 C ATOM 1102 OG SER A 76 -3.564 -19.448 14.125 1.00 0.00 O ATOM 0 H SER A 76 -2.862 -15.731 12.952 1.00 0.00 H new ATOM 0 HA SER A 76 -2.236 -17.369 15.336 1.00 0.00 H new ATOM 0 HB2 SER A 76 -4.523 -17.682 14.567 1.00 0.00 H new ATOM 0 HB3 SER A 76 -4.002 -17.851 12.903 1.00 0.00 H new ATOM 0 HG SER A 76 -2.621 -19.692 14.017 1.00 0.00 H new ATOM 1108 N GLY A 77 -0.543 -17.156 12.736 1.00 0.00 N ATOM 1109 CA GLY A 77 0.593 -17.668 11.992 1.00 0.00 C ATOM 1110 C GLY A 77 0.209 -18.151 10.608 1.00 0.00 C ATOM 1111 O GLY A 77 0.836 -17.777 9.616 1.00 0.00 O ATOM 0 H GLY A 77 -0.737 -16.165 12.594 1.00 0.00 H new ATOM 0 HA2 GLY A 77 1.348 -16.887 11.904 1.00 0.00 H new ATOM 0 HA3 GLY A 77 1.047 -18.489 12.547 1.00 0.00 H new ATOM 1115 N SER A 78 -0.823 -18.986 10.538 1.00 0.00 N ATOM 1116 CA SER A 78 -1.286 -19.525 9.265 1.00 0.00 C ATOM 1117 C SER A 78 -2.701 -19.046 8.955 1.00 0.00 C ATOM 1118 O SER A 78 -3.131 -19.050 7.801 1.00 0.00 O ATOM 1119 CB SER A 78 -1.247 -21.055 9.290 1.00 0.00 C ATOM 1120 OG SER A 78 -0.102 -21.547 8.617 1.00 0.00 O ATOM 0 H SER A 78 -1.354 -19.304 11.349 1.00 0.00 H new ATOM 0 HA SER A 78 -0.619 -19.165 8.482 1.00 0.00 H new ATOM 0 HB2 SER A 78 -1.244 -21.405 10.322 1.00 0.00 H new ATOM 0 HB3 SER A 78 -2.147 -21.453 8.821 1.00 0.00 H new ATOM 0 HG SER A 78 -0.100 -22.526 8.649 1.00 0.00 H new ATOM 1126 N THR A 79 -3.421 -18.634 9.994 1.00 0.00 N ATOM 1127 CA THR A 79 -4.787 -18.154 9.834 1.00 0.00 C ATOM 1128 C THR A 79 -4.882 -16.660 10.121 1.00 0.00 C ATOM 1129 O THR A 79 -5.299 -16.234 11.197 1.00 0.00 O ATOM 1130 CB THR A 79 -5.759 -18.905 10.764 1.00 0.00 C ATOM 1131 OG1 THR A 79 -5.637 -20.318 10.563 1.00 0.00 O ATOM 1132 CG2 THR A 79 -7.195 -18.474 10.507 1.00 0.00 C ATOM 0 H THR A 79 -3.080 -18.623 10.955 1.00 0.00 H new ATOM 0 HA THR A 79 -5.068 -18.342 8.798 1.00 0.00 H new ATOM 0 HB THR A 79 -5.502 -18.661 11.795 1.00 0.00 H new ATOM 0 HG1 THR A 79 -6.257 -20.788 11.159 1.00 0.00 H new ATOM 0 HG21 THR A 79 -7.863 -19.017 11.175 1.00 0.00 H new ATOM 0 HG22 THR A 79 -7.292 -17.404 10.689 1.00 0.00 H new ATOM 0 HG23 THR A 79 -7.461 -18.692 9.472 1.00 0.00 H new ATOM 1140 N PRO A 80 -4.485 -15.841 9.133 1.00 0.00 N ATOM 1141 CA PRO A 80 -4.517 -14.381 9.256 1.00 0.00 C ATOM 1142 C PRO A 80 -5.938 -13.831 9.273 1.00 0.00 C ATOM 1143 O PRO A 80 -6.801 -14.284 8.518 1.00 0.00 O ATOM 1144 CB PRO A 80 -3.773 -13.904 8.006 1.00 0.00 C ATOM 1145 CG PRO A 80 -3.944 -15.009 7.020 1.00 0.00 C ATOM 1146 CD PRO A 80 -3.976 -16.279 7.824 1.00 0.00 C ATOM 0 HA PRO A 80 -4.071 -14.041 10.190 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -4.189 -12.969 7.630 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -2.719 -13.721 8.218 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -4.865 -14.885 6.450 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -3.124 -15.022 6.302 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -4.627 -17.026 7.369 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -2.986 -16.727 7.907 1.00 0.00 H new ATOM 1154 N THR A 81 -6.180 -12.851 10.138 1.00 0.00 N ATOM 1155 CA THR A 81 -7.497 -12.239 10.254 1.00 0.00 C ATOM 1156 C THR A 81 -7.394 -10.797 10.735 1.00 0.00 C ATOM 1157 O THR A 81 -8.101 -9.917 10.245 1.00 0.00 O ATOM 1158 CB THR A 81 -8.399 -13.029 11.221 1.00 0.00 C ATOM 1159 OG1 THR A 81 -7.752 -13.169 12.490 1.00 0.00 O ATOM 1160 CG2 THR A 81 -8.725 -14.403 10.657 1.00 0.00 C ATOM 0 H THR A 81 -5.479 -12.464 10.770 1.00 0.00 H new ATOM 0 HA THR A 81 -7.942 -12.255 9.259 1.00 0.00 H new ATOM 0 HB THR A 81 -9.330 -12.476 11.348 1.00 0.00 H new ATOM 0 HG1 THR A 81 -8.333 -13.671 13.100 1.00 0.00 H new ATOM 0 HG21 THR A 81 -9.363 -14.942 11.358 1.00 0.00 H new ATOM 0 HG22 THR A 81 -9.244 -14.292 9.705 1.00 0.00 H new ATOM 0 HG23 THR A 81 -7.802 -14.962 10.503 1.00 0.00 H new ATOM 1168 N ASN A 82 -6.508 -10.561 11.696 1.00 0.00 N ATOM 1169 CA ASN A 82 -6.311 -9.223 12.244 1.00 0.00 C ATOM 1170 C ASN A 82 -5.294 -8.441 11.418 1.00 0.00 C ATOM 1171 O ASN A 82 -4.898 -8.870 10.334 1.00 0.00 O ATOM 1172 CB ASN A 82 -5.847 -9.308 13.699 1.00 0.00 C ATOM 1173 CG ASN A 82 -6.624 -8.377 14.610 1.00 0.00 C ATOM 1174 OD1 ASN A 82 -7.850 -8.298 14.534 1.00 0.00 O ATOM 1175 ND2 ASN A 82 -5.912 -7.667 15.477 1.00 0.00 N ATOM 0 H ASN A 82 -5.914 -11.279 12.112 1.00 0.00 H new ATOM 0 HA ASN A 82 -7.265 -8.697 12.205 1.00 0.00 H new ATOM 0 HB2 ASN A 82 -5.957 -10.333 14.053 1.00 0.00 H new ATOM 0 HB3 ASN A 82 -4.786 -9.064 13.754 1.00 0.00 H new ATOM 0 HD21 ASN A 82 -6.380 -7.024 16.115 1.00 0.00 H new ATOM 0 HD22 ASN A 82 -4.897 -7.765 15.505 1.00 0.00 H new ATOM 1182 N TRP A 83 -4.876 -7.293 11.939 1.00 0.00 N ATOM 1183 CA TRP A 83 -3.905 -6.451 11.250 1.00 0.00 C ATOM 1184 C TRP A 83 -3.123 -5.597 12.244 1.00 0.00 C ATOM 1185 O TRP A 83 -3.707 -4.925 13.095 1.00 0.00 O ATOM 1186 CB TRP A 83 -4.608 -5.553 10.231 1.00 0.00 C ATOM 1187 CG TRP A 83 -4.445 -6.020 8.816 1.00 0.00 C ATOM 1188 CD1 TRP A 83 -3.411 -5.729 7.971 1.00 0.00 C ATOM 1189 CD2 TRP A 83 -5.343 -6.859 8.081 1.00 0.00 C ATOM 1190 NE1 TRP A 83 -3.613 -6.337 6.755 1.00 0.00 N ATOM 1191 CE2 TRP A 83 -4.790 -7.036 6.798 1.00 0.00 C ATOM 1192 CE3 TRP A 83 -6.557 -7.478 8.383 1.00 0.00 C ATOM 1193 CZ2 TRP A 83 -5.414 -7.805 5.819 1.00 0.00 C ATOM 1194 CZ3 TRP A 83 -7.176 -8.241 7.410 1.00 0.00 C ATOM 1195 CH2 TRP A 83 -6.603 -8.401 6.142 1.00 0.00 C ATOM 0 H TRP A 83 -5.194 -6.924 12.835 1.00 0.00 H new ATOM 0 HA TRP A 83 -3.204 -7.102 10.727 1.00 0.00 H new ATOM 0 HB2 TRP A 83 -5.670 -5.506 10.471 1.00 0.00 H new ATOM 0 HB3 TRP A 83 -4.216 -4.540 10.319 1.00 0.00 H new ATOM 0 HD1 TRP A 83 -2.561 -5.112 8.222 1.00 0.00 H new ATOM 0 HE1 TRP A 83 -2.988 -6.277 5.951 1.00 0.00 H new ATOM 0 HE3 TRP A 83 -7.005 -7.363 9.359 1.00 0.00 H new ATOM 0 HZ2 TRP A 83 -4.975 -7.927 4.840 1.00 0.00 H new ATOM 0 HZ3 TRP A 83 -8.117 -8.722 7.632 1.00 0.00 H new ATOM 0 HH2 TRP A 83 -7.109 -9.006 5.405 1.00 0.00 H new ATOM 1206 N THR A 84 -1.799 -5.629 12.130 1.00 0.00 N ATOM 1207 CA THR A 84 -0.938 -4.858 13.019 1.00 0.00 C ATOM 1208 C THR A 84 -0.067 -3.884 12.233 1.00 0.00 C ATOM 1209 O THR A 84 0.359 -4.178 11.115 1.00 0.00 O ATOM 1210 CB THR A 84 -0.030 -5.778 13.857 1.00 0.00 C ATOM 1211 OG1 THR A 84 0.674 -5.009 14.839 1.00 0.00 O ATOM 1212 CG2 THR A 84 0.965 -6.511 12.971 1.00 0.00 C ATOM 0 H THR A 84 -1.300 -6.180 11.432 1.00 0.00 H new ATOM 0 HA THR A 84 -1.593 -4.298 13.687 1.00 0.00 H new ATOM 0 HB THR A 84 -0.659 -6.515 14.356 1.00 0.00 H new ATOM 0 HG1 THR A 84 1.248 -5.601 15.369 1.00 0.00 H new ATOM 0 HG21 THR A 84 1.595 -7.154 13.586 1.00 0.00 H new ATOM 0 HG22 THR A 84 0.426 -7.119 12.244 1.00 0.00 H new ATOM 0 HG23 THR A 84 1.588 -5.786 12.447 1.00 0.00 H new ATOM 1220 N THR A 85 0.195 -2.722 12.825 1.00 0.00 N ATOM 1221 CA THR A 85 1.014 -1.704 12.179 1.00 0.00 C ATOM 1222 C THR A 85 2.498 -1.959 12.418 1.00 0.00 C ATOM 1223 O THR A 85 2.927 -2.173 13.553 1.00 0.00 O ATOM 1224 CB THR A 85 0.660 -0.294 12.686 1.00 0.00 C ATOM 1225 OG1 THR A 85 0.276 -0.350 14.063 1.00 0.00 O ATOM 1226 CG2 THR A 85 -0.470 0.308 11.863 1.00 0.00 C ATOM 0 H THR A 85 -0.148 -2.463 13.750 1.00 0.00 H new ATOM 0 HA THR A 85 0.805 -1.762 11.111 1.00 0.00 H new ATOM 0 HB THR A 85 1.542 0.338 12.582 1.00 0.00 H new ATOM 0 HG1 THR A 85 0.054 0.551 14.378 1.00 0.00 H new ATOM 0 HG21 THR A 85 -0.703 1.304 12.239 1.00 0.00 H new ATOM 0 HG22 THR A 85 -0.163 0.377 10.819 1.00 0.00 H new ATOM 0 HG23 THR A 85 -1.354 -0.325 11.940 1.00 0.00 H new ATOM 1234 N VAL A 86 3.279 -1.935 11.344 1.00 0.00 N ATOM 1235 CA VAL A 86 4.716 -2.163 11.438 1.00 0.00 C ATOM 1236 C VAL A 86 5.472 -0.847 11.589 1.00 0.00 C ATOM 1237 O VAL A 86 6.639 -0.831 11.981 1.00 0.00 O ATOM 1238 CB VAL A 86 5.248 -2.909 10.200 1.00 0.00 C ATOM 1239 CG1 VAL A 86 6.575 -3.585 10.513 1.00 0.00 C ATOM 1240 CG2 VAL A 86 4.227 -3.923 9.709 1.00 0.00 C ATOM 0 H VAL A 86 2.941 -1.760 10.398 1.00 0.00 H new ATOM 0 HA VAL A 86 4.882 -2.778 12.322 1.00 0.00 H new ATOM 0 HB VAL A 86 5.416 -2.183 9.405 1.00 0.00 H new ATOM 0 HG11 VAL A 86 6.935 -4.107 9.627 1.00 0.00 H new ATOM 0 HG12 VAL A 86 7.305 -2.833 10.813 1.00 0.00 H new ATOM 0 HG13 VAL A 86 6.437 -4.300 11.324 1.00 0.00 H new ATOM 0 HG21 VAL A 86 4.620 -4.440 8.834 1.00 0.00 H new ATOM 0 HG22 VAL A 86 4.025 -4.647 10.498 1.00 0.00 H new ATOM 0 HG23 VAL A 86 3.303 -3.409 9.442 1.00 0.00 H new ATOM 1250 N TYR A 87 4.799 0.255 11.276 1.00 0.00 N ATOM 1251 CA TYR A 87 5.407 1.576 11.374 1.00 0.00 C ATOM 1252 C TYR A 87 4.353 2.672 11.242 1.00 0.00 C ATOM 1253 O TYR A 87 3.156 2.413 11.353 1.00 0.00 O ATOM 1254 CB TYR A 87 6.478 1.749 10.297 1.00 0.00 C ATOM 1255 CG TYR A 87 7.729 2.441 10.791 1.00 0.00 C ATOM 1256 CD1 TYR A 87 8.424 1.956 11.893 1.00 0.00 C ATOM 1257 CD2 TYR A 87 8.215 3.579 10.159 1.00 0.00 C ATOM 1258 CE1 TYR A 87 9.567 2.584 12.348 1.00 0.00 C ATOM 1259 CE2 TYR A 87 9.357 4.212 10.607 1.00 0.00 C ATOM 1260 CZ TYR A 87 10.030 3.711 11.702 1.00 0.00 C ATOM 1261 OH TYR A 87 11.168 4.341 12.152 1.00 0.00 O ATOM 0 H TYR A 87 3.832 0.259 10.952 1.00 0.00 H new ATOM 0 HA TYR A 87 5.873 1.662 12.356 1.00 0.00 H new ATOM 0 HB2 TYR A 87 6.747 0.769 9.903 1.00 0.00 H new ATOM 0 HB3 TYR A 87 6.059 2.321 9.469 1.00 0.00 H new ATOM 0 HD1 TYR A 87 8.064 1.074 12.402 1.00 0.00 H new ATOM 0 HD2 TYR A 87 7.690 3.975 9.302 1.00 0.00 H new ATOM 0 HE1 TYR A 87 10.096 2.194 13.205 1.00 0.00 H new ATOM 0 HE2 TYR A 87 9.722 5.095 10.103 1.00 0.00 H new ATOM 0 HH TYR A 87 11.358 5.118 11.585 1.00 0.00 H new ATOM 1271 N SER A 88 4.811 3.897 11.002 1.00 0.00 N ATOM 1272 CA SER A 88 3.910 5.034 10.857 1.00 0.00 C ATOM 1273 C SER A 88 4.677 6.286 10.444 1.00 0.00 C ATOM 1274 O SER A 88 5.766 6.202 9.875 1.00 0.00 O ATOM 1275 CB SER A 88 3.162 5.289 12.167 1.00 0.00 C ATOM 1276 OG SER A 88 4.000 5.925 13.116 1.00 0.00 O ATOM 0 H SER A 88 5.800 4.127 10.904 1.00 0.00 H new ATOM 0 HA SER A 88 3.189 4.797 10.075 1.00 0.00 H new ATOM 0 HB2 SER A 88 2.287 5.910 11.975 1.00 0.00 H new ATOM 0 HB3 SER A 88 2.799 4.344 12.572 1.00 0.00 H new ATOM 0 HG SER A 88 3.499 6.079 13.944 1.00 0.00 H new ATOM 1282 N THR A 89 4.101 7.448 10.733 1.00 0.00 N ATOM 1283 CA THR A 89 4.729 8.719 10.392 1.00 0.00 C ATOM 1284 C THR A 89 5.260 8.702 8.963 1.00 0.00 C ATOM 1285 O THR A 89 4.952 7.799 8.184 1.00 0.00 O ATOM 1286 CB THR A 89 5.885 9.051 11.354 1.00 0.00 C ATOM 1287 OG1 THR A 89 6.239 10.433 11.235 1.00 0.00 O ATOM 1288 CG2 THR A 89 7.099 8.183 11.060 1.00 0.00 C ATOM 0 H THR A 89 3.200 7.536 11.203 1.00 0.00 H new ATOM 0 HA THR A 89 3.960 9.487 10.483 1.00 0.00 H new ATOM 0 HB THR A 89 5.552 8.849 12.372 1.00 0.00 H new ATOM 0 HG1 THR A 89 6.973 10.637 11.851 1.00 0.00 H new ATOM 0 HG21 THR A 89 7.903 8.435 11.752 1.00 0.00 H new ATOM 0 HG22 THR A 89 6.833 7.133 11.180 1.00 0.00 H new ATOM 0 HG23 THR A 89 7.432 8.358 10.037 1.00 0.00 H new ATOM 1296 N THR A 90 6.062 9.707 8.623 1.00 0.00 N ATOM 1297 CA THR A 90 6.636 9.809 7.288 1.00 0.00 C ATOM 1298 C THR A 90 8.146 10.003 7.352 1.00 0.00 C ATOM 1299 O THR A 90 8.893 9.406 6.575 1.00 0.00 O ATOM 1300 CB THR A 90 6.014 10.974 6.495 1.00 0.00 C ATOM 1301 OG1 THR A 90 6.819 11.274 5.350 1.00 0.00 O ATOM 1302 CG2 THR A 90 5.883 12.213 7.368 1.00 0.00 C ATOM 0 H THR A 90 6.328 10.462 9.255 1.00 0.00 H new ATOM 0 HA THR A 90 6.414 8.872 6.777 1.00 0.00 H new ATOM 0 HB THR A 90 5.019 10.671 6.169 1.00 0.00 H new ATOM 0 HG1 THR A 90 6.345 11.001 4.537 1.00 0.00 H new ATOM 0 HG21 THR A 90 5.441 13.023 6.787 1.00 0.00 H new ATOM 0 HG22 THR A 90 5.245 11.990 8.223 1.00 0.00 H new ATOM 0 HG23 THR A 90 6.869 12.515 7.721 1.00 0.00 H new ATOM 1310 N THR A 91 8.592 10.840 8.284 1.00 0.00 N ATOM 1311 CA THR A 91 10.014 11.113 8.449 1.00 0.00 C ATOM 1312 C THR A 91 10.641 11.574 7.138 1.00 0.00 C ATOM 1313 O THR A 91 11.852 11.468 6.947 1.00 0.00 O ATOM 1314 CB THR A 91 10.769 9.869 8.957 1.00 0.00 C ATOM 1315 OG1 THR A 91 11.088 9.008 7.858 1.00 0.00 O ATOM 1316 CG2 THR A 91 9.937 9.110 9.978 1.00 0.00 C ATOM 0 H THR A 91 7.988 11.341 8.936 1.00 0.00 H new ATOM 0 HA THR A 91 10.100 11.909 9.189 1.00 0.00 H new ATOM 0 HB THR A 91 11.689 10.201 9.438 1.00 0.00 H new ATOM 0 HG1 THR A 91 10.263 8.742 7.401 1.00 0.00 H new ATOM 0 HG21 THR A 91 10.491 8.236 10.322 1.00 0.00 H new ATOM 0 HG22 THR A 91 9.721 9.759 10.826 1.00 0.00 H new ATOM 0 HG23 THR A 91 9.002 8.789 9.519 1.00 0.00 H new ATOM 1324 N GLY A 92 9.809 12.090 6.239 1.00 0.00 N ATOM 1325 CA GLY A 92 10.301 12.561 4.958 1.00 0.00 C ATOM 1326 C GLY A 92 9.549 13.779 4.460 1.00 0.00 C ATOM 1327 O GLY A 92 9.400 14.764 5.184 1.00 0.00 O ATOM 0 H GLY A 92 8.803 12.190 6.375 1.00 0.00 H new ATOM 0 HA2 GLY A 92 11.360 12.803 5.046 1.00 0.00 H new ATOM 0 HA3 GLY A 92 10.217 11.760 4.223 1.00 0.00 H new ATOM 1331 N ASP A 93 9.076 13.716 3.221 1.00 0.00 N ATOM 1332 CA ASP A 93 8.335 14.823 2.626 1.00 0.00 C ATOM 1333 C ASP A 93 7.822 14.450 1.239 1.00 0.00 C ATOM 1334 O ASP A 93 8.391 14.855 0.227 1.00 0.00 O ATOM 1335 CB ASP A 93 9.220 16.067 2.540 1.00 0.00 C ATOM 1336 CG ASP A 93 8.416 17.352 2.573 1.00 0.00 C ATOM 1337 OD1 ASP A 93 8.036 17.786 3.681 1.00 0.00 O ATOM 1338 OD2 ASP A 93 8.167 17.924 1.491 1.00 0.00 O ATOM 0 H ASP A 93 9.192 12.909 2.608 1.00 0.00 H new ATOM 0 HA ASP A 93 7.478 15.040 3.263 1.00 0.00 H new ATOM 0 HB2 ASP A 93 9.928 16.064 3.368 1.00 0.00 H new ATOM 0 HB3 ASP A 93 9.804 16.031 1.621 1.00 0.00 H new ATOM 1343 N GLY A 94 6.743 13.675 1.200 1.00 0.00 N ATOM 1344 CA GLY A 94 6.172 13.259 -0.068 1.00 0.00 C ATOM 1345 C GLY A 94 7.137 12.435 -0.896 1.00 0.00 C ATOM 1346 O GLY A 94 6.930 12.241 -2.093 1.00 0.00 O ATOM 0 H GLY A 94 6.253 13.327 2.025 1.00 0.00 H new ATOM 0 HA2 GLY A 94 5.269 12.678 0.117 1.00 0.00 H new ATOM 0 HA3 GLY A 94 5.873 14.141 -0.635 1.00 0.00 H new ATOM 1350 N ALA A 95 8.196 11.949 -0.257 1.00 0.00 N ATOM 1351 CA ALA A 95 9.197 11.140 -0.942 1.00 0.00 C ATOM 1352 C ALA A 95 8.922 9.652 -0.755 1.00 0.00 C ATOM 1353 O ALA A 95 8.126 9.261 0.099 1.00 0.00 O ATOM 1354 CB ALA A 95 10.590 11.488 -0.441 1.00 0.00 C ATOM 0 H ALA A 95 8.383 12.101 0.734 1.00 0.00 H new ATOM 0 HA ALA A 95 9.140 11.362 -2.008 1.00 0.00 H new ATOM 0 HB1 ALA A 95 11.327 10.876 -0.961 1.00 0.00 H new ATOM 0 HB2 ALA A 95 10.793 12.542 -0.632 1.00 0.00 H new ATOM 0 HB3 ALA A 95 10.650 11.296 0.630 1.00 0.00 H new ATOM 1360 N ILE A 96 9.585 8.826 -1.558 1.00 0.00 N ATOM 1361 CA ILE A 96 9.411 7.382 -1.480 1.00 0.00 C ATOM 1362 C ILE A 96 9.524 6.891 -0.040 1.00 0.00 C ATOM 1363 O ILE A 96 10.517 7.153 0.639 1.00 0.00 O ATOM 1364 CB ILE A 96 10.449 6.642 -2.345 1.00 0.00 C ATOM 1365 CG1 ILE A 96 10.446 7.198 -3.770 1.00 0.00 C ATOM 1366 CG2 ILE A 96 10.163 5.147 -2.353 1.00 0.00 C ATOM 1367 CD1 ILE A 96 11.604 8.129 -4.058 1.00 0.00 C ATOM 0 H ILE A 96 10.248 9.133 -2.270 1.00 0.00 H new ATOM 0 HA ILE A 96 8.412 7.164 -1.859 1.00 0.00 H new ATOM 0 HB ILE A 96 11.438 6.800 -1.915 1.00 0.00 H new ATOM 0 HG12 ILE A 96 10.474 6.368 -4.475 1.00 0.00 H new ATOM 0 HG13 ILE A 96 9.511 7.731 -3.942 1.00 0.00 H new ATOM 0 HG21 ILE A 96 10.905 4.638 -2.968 1.00 0.00 H new ATOM 0 HG22 ILE A 96 10.211 4.762 -1.334 1.00 0.00 H new ATOM 0 HG23 ILE A 96 9.168 4.969 -2.762 1.00 0.00 H new ATOM 0 HD11 ILE A 96 11.538 8.485 -5.086 1.00 0.00 H new ATOM 0 HD12 ILE A 96 11.566 8.979 -3.377 1.00 0.00 H new ATOM 0 HD13 ILE A 96 12.544 7.595 -3.919 1.00 0.00 H new ATOM 1379 N ASP A 97 8.502 6.178 0.418 1.00 0.00 N ATOM 1380 CA ASP A 97 8.487 5.648 1.776 1.00 0.00 C ATOM 1381 C ASP A 97 9.103 4.254 1.822 1.00 0.00 C ATOM 1382 O ASP A 97 8.540 3.298 1.289 1.00 0.00 O ATOM 1383 CB ASP A 97 7.055 5.605 2.315 1.00 0.00 C ATOM 1384 CG ASP A 97 6.331 6.925 2.139 1.00 0.00 C ATOM 1385 OD1 ASP A 97 7.013 7.968 2.048 1.00 0.00 O ATOM 1386 OD2 ASP A 97 5.083 6.916 2.095 1.00 0.00 O ATOM 0 H ASP A 97 7.672 5.953 -0.131 1.00 0.00 H new ATOM 0 HA ASP A 97 9.083 6.310 2.404 1.00 0.00 H new ATOM 0 HB2 ASP A 97 6.501 4.819 1.803 1.00 0.00 H new ATOM 0 HB3 ASP A 97 7.076 5.343 3.373 1.00 0.00 H new ATOM 1391 N ASP A 98 10.261 4.146 2.463 1.00 0.00 N ATOM 1392 CA ASP A 98 10.955 2.868 2.578 1.00 0.00 C ATOM 1393 C ASP A 98 10.898 2.347 4.011 1.00 0.00 C ATOM 1394 O ASP A 98 11.470 2.944 4.923 1.00 0.00 O ATOM 1395 CB ASP A 98 12.411 3.011 2.132 1.00 0.00 C ATOM 1396 CG ASP A 98 13.216 1.749 2.371 1.00 0.00 C ATOM 1397 OD1 ASP A 98 12.881 0.709 1.766 1.00 0.00 O ATOM 1398 OD2 ASP A 98 14.181 1.800 3.162 1.00 0.00 O ATOM 0 H ASP A 98 10.739 4.928 2.911 1.00 0.00 H new ATOM 0 HA ASP A 98 10.454 2.151 1.928 1.00 0.00 H new ATOM 0 HB2 ASP A 98 12.440 3.262 1.072 1.00 0.00 H new ATOM 0 HB3 ASP A 98 12.873 3.840 2.668 1.00 0.00 H new ATOM 1403 N ILE A 99 10.203 1.230 4.201 1.00 0.00 N ATOM 1404 CA ILE A 99 10.071 0.628 5.523 1.00 0.00 C ATOM 1405 C ILE A 99 10.762 -0.730 5.580 1.00 0.00 C ATOM 1406 O ILE A 99 10.445 -1.634 4.807 1.00 0.00 O ATOM 1407 CB ILE A 99 8.592 0.456 5.918 1.00 0.00 C ATOM 1408 CG1 ILE A 99 8.483 -0.252 7.270 1.00 0.00 C ATOM 1409 CG2 ILE A 99 7.844 -0.320 4.845 1.00 0.00 C ATOM 1410 CD1 ILE A 99 7.056 -0.466 7.726 1.00 0.00 C ATOM 0 H ILE A 99 9.723 0.724 3.457 1.00 0.00 H new ATOM 0 HA ILE A 99 10.550 1.307 6.228 1.00 0.00 H new ATOM 0 HB ILE A 99 8.137 1.443 6.008 1.00 0.00 H new ATOM 0 HG12 ILE A 99 8.985 -1.218 7.207 1.00 0.00 H new ATOM 0 HG13 ILE A 99 9.012 0.334 8.022 1.00 0.00 H new ATOM 0 HG21 ILE A 99 6.800 -0.433 5.139 1.00 0.00 H new ATOM 0 HG22 ILE A 99 7.898 0.221 3.900 1.00 0.00 H new ATOM 0 HG23 ILE A 99 8.296 -1.305 4.726 1.00 0.00 H new ATOM 0 HD11 ILE A 99 7.055 -0.973 8.691 1.00 0.00 H new ATOM 0 HD12 ILE A 99 6.556 0.498 7.822 1.00 0.00 H new ATOM 0 HD13 ILE A 99 6.528 -1.078 6.994 1.00 0.00 H new ATOM 1422 N THR A 100 11.710 -0.867 6.502 1.00 0.00 N ATOM 1423 CA THR A 100 12.445 -2.115 6.662 1.00 0.00 C ATOM 1424 C THR A 100 12.244 -2.697 8.057 1.00 0.00 C ATOM 1425 O THR A 100 12.310 -1.980 9.056 1.00 0.00 O ATOM 1426 CB THR A 100 13.952 -1.914 6.415 1.00 0.00 C ATOM 1427 OG1 THR A 100 14.549 -1.248 7.535 1.00 0.00 O ATOM 1428 CG2 THR A 100 14.189 -1.101 5.151 1.00 0.00 C ATOM 0 H THR A 100 11.987 -0.129 7.149 1.00 0.00 H new ATOM 0 HA THR A 100 12.052 -2.811 5.921 1.00 0.00 H new ATOM 0 HB THR A 100 14.411 -2.895 6.290 1.00 0.00 H new ATOM 0 HG1 THR A 100 15.507 -1.126 7.370 1.00 0.00 H new ATOM 0 HG21 THR A 100 15.260 -0.972 4.997 1.00 0.00 H new ATOM 0 HG22 THR A 100 13.760 -1.624 4.296 1.00 0.00 H new ATOM 0 HG23 THR A 100 13.717 -0.124 5.253 1.00 0.00 H new ATOM 1436 N PHE A 101 12.002 -4.002 8.118 1.00 0.00 N ATOM 1437 CA PHE A 101 11.791 -4.681 9.392 1.00 0.00 C ATOM 1438 C PHE A 101 12.406 -6.078 9.372 1.00 0.00 C ATOM 1439 O PHE A 101 13.013 -6.487 8.382 1.00 0.00 O ATOM 1440 CB PHE A 101 10.296 -4.776 9.703 1.00 0.00 C ATOM 1441 CG PHE A 101 9.429 -4.805 8.476 1.00 0.00 C ATOM 1442 CD1 PHE A 101 9.174 -5.999 7.821 1.00 0.00 C ATOM 1443 CD2 PHE A 101 8.871 -3.639 7.978 1.00 0.00 C ATOM 1444 CE1 PHE A 101 8.376 -6.030 6.692 1.00 0.00 C ATOM 1445 CE2 PHE A 101 8.073 -3.664 6.850 1.00 0.00 C ATOM 1446 CZ PHE A 101 7.826 -4.861 6.205 1.00 0.00 C ATOM 0 H PHE A 101 11.947 -4.610 7.301 1.00 0.00 H new ATOM 0 HA PHE A 101 12.281 -4.097 10.171 1.00 0.00 H new ATOM 0 HB2 PHE A 101 10.112 -5.676 10.290 1.00 0.00 H new ATOM 0 HB3 PHE A 101 10.007 -3.927 10.322 1.00 0.00 H new ATOM 0 HD1 PHE A 101 9.603 -6.916 8.196 1.00 0.00 H new ATOM 0 HD2 PHE A 101 9.062 -2.700 8.477 1.00 0.00 H new ATOM 0 HE1 PHE A 101 8.183 -6.968 6.192 1.00 0.00 H new ATOM 0 HE2 PHE A 101 7.642 -2.748 6.473 1.00 0.00 H new ATOM 0 HZ PHE A 101 7.204 -4.882 5.322 1.00 0.00 H new ATOM 1456 N ALA A 102 12.247 -6.804 10.473 1.00 0.00 N ATOM 1457 CA ALA A 102 12.785 -8.154 10.583 1.00 0.00 C ATOM 1458 C ALA A 102 11.963 -9.141 9.760 1.00 0.00 C ATOM 1459 O ALA A 102 10.811 -8.872 9.423 1.00 0.00 O ATOM 1460 CB ALA A 102 12.830 -8.587 12.041 1.00 0.00 C ATOM 0 H ALA A 102 11.750 -6.480 11.302 1.00 0.00 H new ATOM 0 HA ALA A 102 13.800 -8.148 10.186 1.00 0.00 H new ATOM 0 HB1 ALA A 102 13.234 -9.597 12.108 1.00 0.00 H new ATOM 0 HB2 ALA A 102 13.466 -7.904 12.604 1.00 0.00 H new ATOM 0 HB3 ALA A 102 11.822 -8.571 12.457 1.00 0.00 H new ATOM 1466 N ALA A 103 12.564 -10.282 9.442 1.00 0.00 N ATOM 1467 CA ALA A 103 11.887 -11.309 8.660 1.00 0.00 C ATOM 1468 C ALA A 103 10.612 -11.776 9.354 1.00 0.00 C ATOM 1469 O ALA A 103 10.661 -12.522 10.333 1.00 0.00 O ATOM 1470 CB ALA A 103 12.818 -12.488 8.417 1.00 0.00 C ATOM 0 H ALA A 103 13.518 -10.519 9.714 1.00 0.00 H new ATOM 0 HA ALA A 103 11.610 -10.874 7.700 1.00 0.00 H new ATOM 0 HB1 ALA A 103 12.299 -13.247 7.832 1.00 0.00 H new ATOM 0 HB2 ALA A 103 13.699 -12.149 7.872 1.00 0.00 H new ATOM 0 HB3 ALA A 103 13.124 -12.913 9.373 1.00 0.00 H new ATOM 1476 N THR A 104 9.468 -11.332 8.842 1.00 0.00 N ATOM 1477 CA THR A 104 8.179 -11.702 9.413 1.00 0.00 C ATOM 1478 C THR A 104 7.273 -12.333 8.363 1.00 0.00 C ATOM 1479 O THR A 104 7.277 -11.928 7.201 1.00 0.00 O ATOM 1480 CB THR A 104 7.464 -10.482 10.025 1.00 0.00 C ATOM 1481 OG1 THR A 104 7.615 -9.346 9.166 1.00 0.00 O ATOM 1482 CG2 THR A 104 8.025 -10.161 11.402 1.00 0.00 C ATOM 0 H THR A 104 9.408 -10.715 8.032 1.00 0.00 H new ATOM 0 HA THR A 104 8.380 -12.429 10.200 1.00 0.00 H new ATOM 0 HB THR A 104 6.406 -10.722 10.128 1.00 0.00 H new ATOM 0 HG1 THR A 104 7.157 -8.575 9.560 1.00 0.00 H new ATOM 0 HG21 THR A 104 7.505 -9.296 11.814 1.00 0.00 H new ATOM 0 HG22 THR A 104 7.884 -11.018 12.061 1.00 0.00 H new ATOM 0 HG23 THR A 104 9.089 -9.939 11.319 1.00 0.00 H new ATOM 1490 N ASN A 105 6.495 -13.328 8.779 1.00 0.00 N ATOM 1491 CA ASN A 105 5.583 -14.015 7.872 1.00 0.00 C ATOM 1492 C ASN A 105 4.260 -13.265 7.761 1.00 0.00 C ATOM 1493 O ASN A 105 3.721 -12.782 8.757 1.00 0.00 O ATOM 1494 CB ASN A 105 5.332 -15.445 8.356 1.00 0.00 C ATOM 1495 CG ASN A 105 5.087 -15.515 9.852 1.00 0.00 C ATOM 1496 OD1 ASN A 105 5.980 -15.868 10.623 1.00 0.00 O ATOM 1497 ND2 ASN A 105 3.871 -15.179 10.268 1.00 0.00 N ATOM 0 H ASN A 105 6.478 -13.676 9.738 1.00 0.00 H new ATOM 0 HA ASN A 105 6.046 -14.048 6.886 1.00 0.00 H new ATOM 0 HB2 ASN A 105 4.471 -15.858 7.830 1.00 0.00 H new ATOM 0 HB3 ASN A 105 6.190 -16.068 8.102 1.00 0.00 H new ATOM 0 HD21 ASN A 105 3.646 -15.207 11.263 1.00 0.00 H new ATOM 0 HD22 ASN A 105 3.162 -14.893 9.593 1.00 0.00 H new ATOM 1504 N ALA A 106 3.739 -13.171 6.541 1.00 0.00 N ATOM 1505 CA ALA A 106 2.478 -12.483 6.299 1.00 0.00 C ATOM 1506 C ALA A 106 1.810 -12.992 5.026 1.00 0.00 C ATOM 1507 O ALA A 106 2.451 -13.621 4.185 1.00 0.00 O ATOM 1508 CB ALA A 106 2.706 -10.981 6.213 1.00 0.00 C ATOM 0 H ALA A 106 4.172 -13.563 5.705 1.00 0.00 H new ATOM 0 HA ALA A 106 1.812 -12.692 7.136 1.00 0.00 H new ATOM 0 HB1 ALA A 106 1.756 -10.479 6.032 1.00 0.00 H new ATOM 0 HB2 ALA A 106 3.133 -10.624 7.150 1.00 0.00 H new ATOM 0 HB3 ALA A 106 3.393 -10.764 5.395 1.00 0.00 H new ATOM 1514 N LYS A 107 0.517 -12.718 4.892 1.00 0.00 N ATOM 1515 CA LYS A 107 -0.240 -13.147 3.723 1.00 0.00 C ATOM 1516 C LYS A 107 -0.691 -11.948 2.895 1.00 0.00 C ATOM 1517 O LYS A 107 -0.549 -11.936 1.673 1.00 0.00 O ATOM 1518 CB LYS A 107 -1.457 -13.971 4.151 1.00 0.00 C ATOM 1519 CG LYS A 107 -1.098 -15.327 4.735 1.00 0.00 C ATOM 1520 CD LYS A 107 -2.059 -16.407 4.268 1.00 0.00 C ATOM 1521 CE LYS A 107 -1.661 -17.776 4.800 1.00 0.00 C ATOM 1522 NZ LYS A 107 -2.835 -18.682 4.934 1.00 0.00 N ATOM 0 H LYS A 107 -0.029 -12.200 5.580 1.00 0.00 H new ATOM 0 HA LYS A 107 0.412 -13.766 3.107 1.00 0.00 H new ATOM 0 HB2 LYS A 107 -2.027 -13.406 4.889 1.00 0.00 H new ATOM 0 HB3 LYS A 107 -2.108 -14.117 3.289 1.00 0.00 H new ATOM 0 HG2 LYS A 107 -0.082 -15.592 4.444 1.00 0.00 H new ATOM 0 HG3 LYS A 107 -1.113 -15.271 5.823 1.00 0.00 H new ATOM 0 HD2 LYS A 107 -3.069 -16.166 4.601 1.00 0.00 H new ATOM 0 HD3 LYS A 107 -2.080 -16.431 3.178 1.00 0.00 H new ATOM 0 HE2 LYS A 107 -0.929 -18.227 4.130 1.00 0.00 H new ATOM 0 HE3 LYS A 107 -1.178 -17.662 5.770 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 -3.008 -18.880 5.940 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 -3.674 -18.226 4.522 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 -2.644 -19.574 4.434 1.00 0.00 H new ATOM 1536 N PHE A 108 -1.233 -10.940 3.570 1.00 0.00 N ATOM 1537 CA PHE A 108 -1.704 -9.735 2.897 1.00 0.00 C ATOM 1538 C PHE A 108 -1.086 -8.486 3.521 1.00 0.00 C ATOM 1539 O PHE A 108 -0.528 -8.538 4.617 1.00 0.00 O ATOM 1540 CB PHE A 108 -3.230 -9.651 2.965 1.00 0.00 C ATOM 1541 CG PHE A 108 -3.899 -10.990 3.078 1.00 0.00 C ATOM 1542 CD1 PHE A 108 -3.685 -11.971 2.123 1.00 0.00 C ATOM 1543 CD2 PHE A 108 -4.744 -11.270 4.141 1.00 0.00 C ATOM 1544 CE1 PHE A 108 -4.300 -13.204 2.226 1.00 0.00 C ATOM 1545 CE2 PHE A 108 -5.362 -12.501 4.250 1.00 0.00 C ATOM 1546 CZ PHE A 108 -5.139 -13.470 3.291 1.00 0.00 C ATOM 0 H PHE A 108 -1.357 -10.933 4.582 1.00 0.00 H new ATOM 0 HA PHE A 108 -1.396 -9.788 1.853 1.00 0.00 H new ATOM 0 HB2 PHE A 108 -3.514 -9.038 3.820 1.00 0.00 H new ATOM 0 HB3 PHE A 108 -3.598 -9.144 2.073 1.00 0.00 H new ATOM 0 HD1 PHE A 108 -3.030 -11.769 1.288 1.00 0.00 H new ATOM 0 HD2 PHE A 108 -4.921 -10.516 4.894 1.00 0.00 H new ATOM 0 HE1 PHE A 108 -4.125 -13.959 1.474 1.00 0.00 H new ATOM 0 HE2 PHE A 108 -6.018 -12.705 5.083 1.00 0.00 H new ATOM 0 HZ PHE A 108 -5.620 -14.434 3.374 1.00 0.00 H new ATOM 1556 N VAL A 109 -1.190 -7.366 2.813 1.00 0.00 N ATOM 1557 CA VAL A 109 -0.644 -6.103 3.297 1.00 0.00 C ATOM 1558 C VAL A 109 -1.654 -4.973 3.143 1.00 0.00 C ATOM 1559 O VAL A 109 -2.428 -4.944 2.187 1.00 0.00 O ATOM 1560 CB VAL A 109 0.649 -5.729 2.547 1.00 0.00 C ATOM 1561 CG1 VAL A 109 1.307 -4.518 3.191 1.00 0.00 C ATOM 1562 CG2 VAL A 109 1.606 -6.910 2.511 1.00 0.00 C ATOM 0 H VAL A 109 -1.647 -7.307 1.903 1.00 0.00 H new ATOM 0 HA VAL A 109 -0.416 -6.239 4.354 1.00 0.00 H new ATOM 0 HB VAL A 109 0.391 -5.470 1.520 1.00 0.00 H new ATOM 0 HG11 VAL A 109 2.219 -4.268 2.649 1.00 0.00 H new ATOM 0 HG12 VAL A 109 0.621 -3.671 3.158 1.00 0.00 H new ATOM 0 HG13 VAL A 109 1.553 -4.746 4.228 1.00 0.00 H new ATOM 0 HG21 VAL A 109 2.513 -6.627 1.977 1.00 0.00 H new ATOM 0 HG22 VAL A 109 1.861 -7.203 3.529 1.00 0.00 H new ATOM 0 HG23 VAL A 109 1.131 -7.748 2.000 1.00 0.00 H new ATOM 1572 N ARG A 110 -1.640 -4.041 4.092 1.00 0.00 N ATOM 1573 CA ARG A 110 -2.555 -2.907 4.063 1.00 0.00 C ATOM 1574 C ARG A 110 -1.834 -1.616 4.438 1.00 0.00 C ATOM 1575 O ARG A 110 -1.193 -1.532 5.485 1.00 0.00 O ATOM 1576 CB ARG A 110 -3.727 -3.146 5.017 1.00 0.00 C ATOM 1577 CG ARG A 110 -4.742 -2.015 5.029 1.00 0.00 C ATOM 1578 CD ARG A 110 -5.821 -2.246 6.076 1.00 0.00 C ATOM 1579 NE ARG A 110 -6.273 -0.996 6.681 1.00 0.00 N ATOM 1580 CZ ARG A 110 -7.351 -0.901 7.451 1.00 0.00 C ATOM 1581 NH1 ARG A 110 -8.083 -1.975 7.711 1.00 0.00 N ATOM 1582 NH2 ARG A 110 -7.698 0.273 7.966 1.00 0.00 N ATOM 0 H ARG A 110 -1.005 -4.050 4.890 1.00 0.00 H new ATOM 0 HA ARG A 110 -2.937 -2.806 3.047 1.00 0.00 H new ATOM 0 HB2 ARG A 110 -4.230 -4.071 4.737 1.00 0.00 H new ATOM 0 HB3 ARG A 110 -3.340 -3.287 6.026 1.00 0.00 H new ATOM 0 HG2 ARG A 110 -4.235 -1.071 5.230 1.00 0.00 H new ATOM 0 HG3 ARG A 110 -5.202 -1.927 4.045 1.00 0.00 H new ATOM 0 HD2 ARG A 110 -6.669 -2.754 5.617 1.00 0.00 H new ATOM 0 HD3 ARG A 110 -5.437 -2.907 6.853 1.00 0.00 H new ATOM 0 HE ARG A 110 -5.732 -0.150 6.503 1.00 0.00 H new ATOM 0 HH11 ARG A 110 -7.819 -2.879 7.319 1.00 0.00 H new ATOM 0 HH12 ARG A 110 -8.910 -1.897 8.303 1.00 0.00 H new ATOM 0 HH21 ARG A 110 -7.137 1.102 7.770 1.00 0.00 H new ATOM 0 HH22 ARG A 110 -8.526 0.346 8.557 1.00 0.00 H new ATOM 1596 N VAL A 111 -1.943 -0.611 3.575 1.00 0.00 N ATOM 1597 CA VAL A 111 -1.301 0.677 3.815 1.00 0.00 C ATOM 1598 C VAL A 111 -2.318 1.813 3.775 1.00 0.00 C ATOM 1599 O VAL A 111 -3.149 1.883 2.870 1.00 0.00 O ATOM 1600 CB VAL A 111 -0.195 0.954 2.780 1.00 0.00 C ATOM 1601 CG1 VAL A 111 0.729 2.058 3.270 1.00 0.00 C ATOM 1602 CG2 VAL A 111 0.587 -0.316 2.483 1.00 0.00 C ATOM 0 H VAL A 111 -2.470 -0.663 2.703 1.00 0.00 H new ATOM 0 HA VAL A 111 -0.854 0.629 4.808 1.00 0.00 H new ATOM 0 HB VAL A 111 -0.663 1.289 1.854 1.00 0.00 H new ATOM 0 HG11 VAL A 111 1.504 2.240 2.526 1.00 0.00 H new ATOM 0 HG12 VAL A 111 0.154 2.971 3.426 1.00 0.00 H new ATOM 0 HG13 VAL A 111 1.192 1.755 4.209 1.00 0.00 H new ATOM 0 HG21 VAL A 111 1.364 -0.102 1.750 1.00 0.00 H new ATOM 0 HG22 VAL A 111 1.046 -0.684 3.401 1.00 0.00 H new ATOM 0 HG23 VAL A 111 -0.088 -1.074 2.085 1.00 0.00 H new ATOM 1612 N TYR A 112 -2.244 2.699 4.761 1.00 0.00 N ATOM 1613 CA TYR A 112 -3.159 3.832 4.840 1.00 0.00 C ATOM 1614 C TYR A 112 -2.464 5.053 5.434 1.00 0.00 C ATOM 1615 O TYR A 112 -1.429 4.935 6.091 1.00 0.00 O ATOM 1616 CB TYR A 112 -4.383 3.468 5.682 1.00 0.00 C ATOM 1617 CG TYR A 112 -4.106 3.430 7.168 1.00 0.00 C ATOM 1618 CD1 TYR A 112 -3.332 2.419 7.724 1.00 0.00 C ATOM 1619 CD2 TYR A 112 -4.620 4.403 8.015 1.00 0.00 C ATOM 1620 CE1 TYR A 112 -3.077 2.379 9.081 1.00 0.00 C ATOM 1621 CE2 TYR A 112 -4.369 4.373 9.374 1.00 0.00 C ATOM 1622 CZ TYR A 112 -3.597 3.358 9.902 1.00 0.00 C ATOM 1623 OH TYR A 112 -3.347 3.322 11.254 1.00 0.00 O ATOM 0 H TYR A 112 -1.560 2.655 5.517 1.00 0.00 H new ATOM 0 HA TYR A 112 -3.482 4.077 3.828 1.00 0.00 H new ATOM 0 HB2 TYR A 112 -5.176 4.190 5.487 1.00 0.00 H new ATOM 0 HB3 TYR A 112 -4.755 2.494 5.365 1.00 0.00 H new ATOM 0 HD1 TYR A 112 -2.923 1.651 7.084 1.00 0.00 H new ATOM 0 HD2 TYR A 112 -5.226 5.197 7.605 1.00 0.00 H new ATOM 0 HE1 TYR A 112 -2.474 1.586 9.497 1.00 0.00 H new ATOM 0 HE2 TYR A 112 -4.774 5.139 10.019 1.00 0.00 H new ATOM 0 HH TYR A 112 -3.785 4.084 11.688 1.00 0.00 H new ATOM 1633 N ALA A 113 -3.041 6.227 5.199 1.00 0.00 N ATOM 1634 CA ALA A 113 -2.480 7.471 5.714 1.00 0.00 C ATOM 1635 C ALA A 113 -3.370 8.068 6.797 1.00 0.00 C ATOM 1636 O ALA A 113 -4.366 7.466 7.200 1.00 0.00 O ATOM 1637 CB ALA A 113 -2.282 8.468 4.581 1.00 0.00 C ATOM 0 H ALA A 113 -3.896 6.343 4.656 1.00 0.00 H new ATOM 0 HA ALA A 113 -1.511 7.247 6.161 1.00 0.00 H new ATOM 0 HB1 ALA A 113 -1.863 9.392 4.979 1.00 0.00 H new ATOM 0 HB2 ALA A 113 -1.599 8.048 3.842 1.00 0.00 H new ATOM 0 HB3 ALA A 113 -3.242 8.678 4.110 1.00 0.00 H new ATOM 1643 N THR A 114 -3.005 9.255 7.269 1.00 0.00 N ATOM 1644 CA THR A 114 -3.769 9.934 8.308 1.00 0.00 C ATOM 1645 C THR A 114 -4.394 11.221 7.780 1.00 0.00 C ATOM 1646 O THR A 114 -5.563 11.507 8.038 1.00 0.00 O ATOM 1647 CB THR A 114 -2.888 10.267 9.527 1.00 0.00 C ATOM 1648 OG1 THR A 114 -3.567 11.192 10.383 1.00 0.00 O ATOM 1649 CG2 THR A 114 -1.557 10.857 9.087 1.00 0.00 C ATOM 0 H THR A 114 -2.183 9.767 6.948 1.00 0.00 H new ATOM 0 HA THR A 114 -4.559 9.250 8.616 1.00 0.00 H new ATOM 0 HB THR A 114 -2.695 9.343 10.072 1.00 0.00 H new ATOM 0 HG1 THR A 114 -3.001 11.398 11.156 1.00 0.00 H new ATOM 0 HG21 THR A 114 -0.952 11.084 9.965 1.00 0.00 H new ATOM 0 HG22 THR A 114 -1.030 10.138 8.459 1.00 0.00 H new ATOM 0 HG23 THR A 114 -1.734 11.772 8.521 1.00 0.00 H new ATOM 1657 N THR A 115 -3.608 11.994 7.038 1.00 0.00 N ATOM 1658 CA THR A 115 -4.084 13.251 6.474 1.00 0.00 C ATOM 1659 C THR A 115 -4.018 13.230 4.951 1.00 0.00 C ATOM 1660 O THR A 115 -3.263 12.453 4.364 1.00 0.00 O ATOM 1661 CB THR A 115 -3.265 14.446 6.995 1.00 0.00 C ATOM 1662 OG1 THR A 115 -3.138 14.370 8.420 1.00 0.00 O ATOM 1663 CG2 THR A 115 -3.923 15.763 6.611 1.00 0.00 C ATOM 0 H THR A 115 -2.638 11.772 6.813 1.00 0.00 H new ATOM 0 HA THR A 115 -5.121 13.366 6.789 1.00 0.00 H new ATOM 0 HB THR A 115 -2.276 14.405 6.539 1.00 0.00 H new ATOM 0 HG1 THR A 115 -2.802 15.224 8.764 1.00 0.00 H new ATOM 0 HG21 THR A 115 -3.326 16.592 6.990 1.00 0.00 H new ATOM 0 HG22 THR A 115 -3.992 15.832 5.525 1.00 0.00 H new ATOM 0 HG23 THR A 115 -4.923 15.809 7.042 1.00 0.00 H new ATOM 1671 N ARG A 116 -4.811 14.087 4.317 1.00 0.00 N ATOM 1672 CA ARG A 116 -4.842 14.166 2.862 1.00 0.00 C ATOM 1673 C ARG A 116 -3.431 14.290 2.294 1.00 0.00 C ATOM 1674 O ARG A 116 -2.475 14.540 3.027 1.00 0.00 O ATOM 1675 CB ARG A 116 -5.690 15.358 2.412 1.00 0.00 C ATOM 1676 CG ARG A 116 -7.011 15.479 3.155 1.00 0.00 C ATOM 1677 CD ARG A 116 -7.042 16.716 4.039 1.00 0.00 C ATOM 1678 NE ARG A 116 -7.468 17.904 3.304 1.00 0.00 N ATOM 1679 CZ ARG A 116 -7.702 19.079 3.878 1.00 0.00 C ATOM 1680 NH1 ARG A 116 -7.553 19.222 5.187 1.00 0.00 N ATOM 1681 NH2 ARG A 116 -8.087 20.113 3.142 1.00 0.00 N ATOM 0 H ARG A 116 -5.441 14.736 4.788 1.00 0.00 H new ATOM 0 HA ARG A 116 -5.289 13.247 2.483 1.00 0.00 H new ATOM 0 HB2 ARG A 116 -5.118 16.275 2.554 1.00 0.00 H new ATOM 0 HB3 ARG A 116 -5.890 15.269 1.344 1.00 0.00 H new ATOM 0 HG2 ARG A 116 -7.830 15.523 2.438 1.00 0.00 H new ATOM 0 HG3 ARG A 116 -7.169 14.590 3.766 1.00 0.00 H new ATOM 0 HD2 ARG A 116 -7.719 16.546 4.877 1.00 0.00 H new ATOM 0 HD3 ARG A 116 -6.051 16.886 4.459 1.00 0.00 H new ATOM 0 HE ARG A 116 -7.593 17.827 2.295 1.00 0.00 H new ATOM 0 HH11 ARG A 116 -7.258 18.429 5.756 1.00 0.00 H new ATOM 0 HH12 ARG A 116 -7.733 20.125 5.625 1.00 0.00 H new ATOM 0 HH21 ARG A 116 -8.204 20.006 2.134 1.00 0.00 H new ATOM 0 HH22 ARG A 116 -8.266 21.015 3.584 1.00 0.00 H new ATOM 1695 N ALA A 117 -3.310 14.112 0.982 1.00 0.00 N ATOM 1696 CA ALA A 117 -2.016 14.204 0.315 1.00 0.00 C ATOM 1697 C ALA A 117 -1.870 15.534 -0.416 1.00 0.00 C ATOM 1698 O ALA A 117 -1.094 16.399 -0.005 1.00 0.00 O ATOM 1699 CB ALA A 117 -1.838 13.045 -0.653 1.00 0.00 C ATOM 0 H ALA A 117 -4.091 13.903 0.360 1.00 0.00 H new ATOM 0 HA ALA A 117 -1.237 14.150 1.076 1.00 0.00 H new ATOM 0 HB1 ALA A 117 -0.868 13.126 -1.144 1.00 0.00 H new ATOM 0 HB2 ALA A 117 -1.890 12.103 -0.107 1.00 0.00 H new ATOM 0 HB3 ALA A 117 -2.628 13.073 -1.404 1.00 0.00 H new ATOM 1705 N THR A 118 -2.618 15.693 -1.503 1.00 0.00 N ATOM 1706 CA THR A 118 -2.570 16.916 -2.292 1.00 0.00 C ATOM 1707 C THR A 118 -3.776 17.021 -3.220 1.00 0.00 C ATOM 1708 O THR A 118 -4.747 16.279 -3.076 1.00 0.00 O ATOM 1709 CB THR A 118 -1.282 16.992 -3.133 1.00 0.00 C ATOM 1710 OG1 THR A 118 -0.328 16.039 -2.655 1.00 0.00 O ATOM 1711 CG2 THR A 118 -0.682 18.390 -3.080 1.00 0.00 C ATOM 0 H THR A 118 -3.265 14.988 -1.857 1.00 0.00 H new ATOM 0 HA THR A 118 -2.585 17.747 -1.587 1.00 0.00 H new ATOM 0 HB THR A 118 -1.536 16.763 -4.168 1.00 0.00 H new ATOM 0 HG1 THR A 118 0.360 16.500 -2.131 1.00 0.00 H new ATOM 0 HG21 THR A 118 0.227 18.419 -3.681 1.00 0.00 H new ATOM 0 HG22 THR A 118 -1.400 19.109 -3.473 1.00 0.00 H new ATOM 0 HG23 THR A 118 -0.442 18.644 -2.048 1.00 0.00 H new ATOM 1719 N ALA A 119 -3.707 17.947 -4.171 1.00 0.00 N ATOM 1720 CA ALA A 119 -4.792 18.146 -5.123 1.00 0.00 C ATOM 1721 C ALA A 119 -4.950 16.934 -6.036 1.00 0.00 C ATOM 1722 O ALA A 119 -5.943 16.811 -6.753 1.00 0.00 O ATOM 1723 CB ALA A 119 -4.548 19.402 -5.947 1.00 0.00 C ATOM 0 H ALA A 119 -2.911 18.571 -4.302 1.00 0.00 H new ATOM 0 HA ALA A 119 -5.718 18.268 -4.561 1.00 0.00 H new ATOM 0 HB1 ALA A 119 -5.366 19.538 -6.654 1.00 0.00 H new ATOM 0 HB2 ALA A 119 -4.493 20.266 -5.285 1.00 0.00 H new ATOM 0 HB3 ALA A 119 -3.610 19.302 -6.493 1.00 0.00 H new ATOM 1729 N TYR A 120 -3.966 16.043 -6.005 1.00 0.00 N ATOM 1730 CA TYR A 120 -3.995 14.843 -6.832 1.00 0.00 C ATOM 1731 C TYR A 120 -4.264 13.604 -5.985 1.00 0.00 C ATOM 1732 O TYR A 120 -3.745 12.523 -6.262 1.00 0.00 O ATOM 1733 CB TYR A 120 -2.671 14.684 -7.582 1.00 0.00 C ATOM 1734 CG TYR A 120 -2.820 14.048 -8.947 1.00 0.00 C ATOM 1735 CD1 TYR A 120 -3.821 13.117 -9.195 1.00 0.00 C ATOM 1736 CD2 TYR A 120 -1.962 14.382 -9.986 1.00 0.00 C ATOM 1737 CE1 TYR A 120 -3.961 12.534 -10.440 1.00 0.00 C ATOM 1738 CE2 TYR A 120 -2.095 13.805 -11.235 1.00 0.00 C ATOM 1739 CZ TYR A 120 -3.096 12.882 -11.456 1.00 0.00 C ATOM 1740 OH TYR A 120 -3.233 12.304 -12.698 1.00 0.00 O ATOM 0 H TYR A 120 -3.138 16.129 -5.416 1.00 0.00 H new ATOM 0 HA TYR A 120 -4.804 14.949 -7.554 1.00 0.00 H new ATOM 0 HB2 TYR A 120 -2.208 15.664 -7.696 1.00 0.00 H new ATOM 0 HB3 TYR A 120 -1.993 14.079 -6.981 1.00 0.00 H new ATOM 0 HD1 TYR A 120 -4.501 12.844 -8.402 1.00 0.00 H new ATOM 0 HD2 TYR A 120 -1.178 15.105 -9.816 1.00 0.00 H new ATOM 0 HE1 TYR A 120 -4.743 11.810 -10.616 1.00 0.00 H new ATOM 0 HE2 TYR A 120 -1.419 14.075 -12.033 1.00 0.00 H new ATOM 0 HH TYR A 120 -2.546 12.658 -13.301 1.00 0.00 H new ATOM 1750 N GLY A 121 -5.083 13.769 -4.950 1.00 0.00 N ATOM 1751 CA GLY A 121 -5.410 12.657 -4.078 1.00 0.00 C ATOM 1752 C GLY A 121 -4.181 11.884 -3.639 1.00 0.00 C ATOM 1753 O GLY A 121 -3.222 12.465 -3.131 1.00 0.00 O ATOM 0 H GLY A 121 -5.526 14.653 -4.701 1.00 0.00 H new ATOM 0 HA2 GLY A 121 -5.934 13.031 -3.198 1.00 0.00 H new ATOM 0 HA3 GLY A 121 -6.094 11.983 -4.594 1.00 0.00 H new ATOM 1757 N TYR A 122 -4.210 10.570 -3.834 1.00 0.00 N ATOM 1758 CA TYR A 122 -3.093 9.716 -3.451 1.00 0.00 C ATOM 1759 C TYR A 122 -2.457 9.068 -4.678 1.00 0.00 C ATOM 1760 O TYR A 122 -3.146 8.481 -5.511 1.00 0.00 O ATOM 1761 CB TYR A 122 -3.560 8.635 -2.475 1.00 0.00 C ATOM 1762 CG TYR A 122 -3.651 9.111 -1.043 1.00 0.00 C ATOM 1763 CD1 TYR A 122 -4.331 10.279 -0.719 1.00 0.00 C ATOM 1764 CD2 TYR A 122 -3.059 8.391 -0.012 1.00 0.00 C ATOM 1765 CE1 TYR A 122 -4.416 10.717 0.587 1.00 0.00 C ATOM 1766 CE2 TYR A 122 -3.140 8.821 1.298 1.00 0.00 C ATOM 1767 CZ TYR A 122 -3.820 9.985 1.593 1.00 0.00 C ATOM 1768 OH TYR A 122 -3.904 10.418 2.897 1.00 0.00 O ATOM 0 H TYR A 122 -4.995 10.074 -4.255 1.00 0.00 H new ATOM 0 HA TYR A 122 -2.344 10.339 -2.961 1.00 0.00 H new ATOM 0 HB2 TYR A 122 -4.537 8.270 -2.791 1.00 0.00 H new ATOM 0 HB3 TYR A 122 -2.873 7.790 -2.525 1.00 0.00 H new ATOM 0 HD1 TYR A 122 -4.801 10.854 -1.503 1.00 0.00 H new ATOM 0 HD2 TYR A 122 -2.526 7.479 -0.239 1.00 0.00 H new ATOM 0 HE1 TYR A 122 -4.947 11.628 0.820 1.00 0.00 H new ATOM 0 HE2 TYR A 122 -2.674 8.250 2.087 1.00 0.00 H new ATOM 0 HH TYR A 122 -3.484 11.300 2.977 1.00 0.00 H new ATOM 1778 N SER A 123 -1.136 9.180 -4.779 1.00 0.00 N ATOM 1779 CA SER A 123 -0.406 8.609 -5.905 1.00 0.00 C ATOM 1780 C SER A 123 0.469 7.445 -5.451 1.00 0.00 C ATOM 1781 O SER A 123 0.919 7.401 -4.305 1.00 0.00 O ATOM 1782 CB SER A 123 0.458 9.679 -6.576 1.00 0.00 C ATOM 1783 OG SER A 123 -0.281 10.868 -6.794 1.00 0.00 O ATOM 0 H SER A 123 -0.550 9.660 -4.096 1.00 0.00 H new ATOM 0 HA SER A 123 -1.134 8.235 -6.625 1.00 0.00 H new ATOM 0 HB2 SER A 123 1.325 9.895 -5.952 1.00 0.00 H new ATOM 0 HB3 SER A 123 0.836 9.302 -7.527 1.00 0.00 H new ATOM 0 HG SER A 123 0.294 11.536 -7.222 1.00 0.00 H new ATOM 1789 N LEU A 124 0.704 6.501 -6.356 1.00 0.00 N ATOM 1790 CA LEU A 124 1.526 5.335 -6.050 1.00 0.00 C ATOM 1791 C LEU A 124 1.823 4.532 -7.313 1.00 0.00 C ATOM 1792 O LEU A 124 1.047 3.661 -7.703 1.00 0.00 O ATOM 1793 CB LEU A 124 0.822 4.448 -5.022 1.00 0.00 C ATOM 1794 CG LEU A 124 1.544 3.152 -4.648 1.00 0.00 C ATOM 1795 CD1 LEU A 124 1.442 2.897 -3.152 1.00 0.00 C ATOM 1796 CD2 LEU A 124 0.972 1.979 -5.431 1.00 0.00 C ATOM 0 H LEU A 124 0.337 6.520 -7.308 1.00 0.00 H new ATOM 0 HA LEU A 124 2.471 5.685 -5.634 1.00 0.00 H new ATOM 0 HB2 LEU A 124 0.669 5.030 -4.113 1.00 0.00 H new ATOM 0 HB3 LEU A 124 -0.165 4.193 -5.407 1.00 0.00 H new ATOM 0 HG LEU A 124 2.598 3.257 -4.907 1.00 0.00 H new ATOM 0 HD11 LEU A 124 1.961 1.971 -2.905 1.00 0.00 H new ATOM 0 HD12 LEU A 124 1.898 3.725 -2.610 1.00 0.00 H new ATOM 0 HD13 LEU A 124 0.393 2.812 -2.868 1.00 0.00 H new ATOM 0 HD21 LEU A 124 1.497 1.065 -5.153 1.00 0.00 H new ATOM 0 HD22 LEU A 124 -0.089 1.872 -5.203 1.00 0.00 H new ATOM 0 HD23 LEU A 124 1.097 2.159 -6.499 1.00 0.00 H new ATOM 1808 N TRP A 125 2.953 4.831 -7.944 1.00 0.00 N ATOM 1809 CA TRP A 125 3.354 4.135 -9.161 1.00 0.00 C ATOM 1810 C TRP A 125 4.552 3.229 -8.900 1.00 0.00 C ATOM 1811 O TRP A 125 4.916 2.410 -9.743 1.00 0.00 O ATOM 1812 CB TRP A 125 3.692 5.142 -10.262 1.00 0.00 C ATOM 1813 CG TRP A 125 2.613 6.158 -10.488 1.00 0.00 C ATOM 1814 CD1 TRP A 125 1.314 6.080 -10.075 1.00 0.00 C ATOM 1815 CD2 TRP A 125 2.741 7.403 -11.183 1.00 0.00 C ATOM 1816 NE1 TRP A 125 0.626 7.201 -10.471 1.00 0.00 N ATOM 1817 CE2 TRP A 125 1.479 8.029 -11.153 1.00 0.00 C ATOM 1818 CE3 TRP A 125 3.798 8.051 -11.827 1.00 0.00 C ATOM 1819 CZ2 TRP A 125 1.249 9.269 -11.742 1.00 0.00 C ATOM 1820 CZ3 TRP A 125 3.568 9.282 -12.412 1.00 0.00 C ATOM 1821 CH2 TRP A 125 2.303 9.880 -12.366 1.00 0.00 C ATOM 0 H TRP A 125 3.607 5.550 -7.633 1.00 0.00 H new ATOM 0 HA TRP A 125 2.518 3.517 -9.488 1.00 0.00 H new ATOM 0 HB2 TRP A 125 4.617 5.656 -10.003 1.00 0.00 H new ATOM 0 HB3 TRP A 125 3.876 4.605 -11.192 1.00 0.00 H new ATOM 0 HD1 TRP A 125 0.890 5.257 -9.519 1.00 0.00 H new ATOM 0 HE1 TRP A 125 -0.360 7.387 -10.287 1.00 0.00 H new ATOM 0 HE3 TRP A 125 4.778 7.598 -11.867 1.00 0.00 H new ATOM 0 HZ2 TRP A 125 0.274 9.732 -11.708 1.00 0.00 H new ATOM 0 HZ3 TRP A 125 4.378 9.791 -12.913 1.00 0.00 H new ATOM 0 HH2 TRP A 125 2.156 10.843 -12.832 1.00 0.00 H new ATOM 1832 N GLU A 126 5.160 3.380 -7.728 1.00 0.00 N ATOM 1833 CA GLU A 126 6.317 2.574 -7.358 1.00 0.00 C ATOM 1834 C GLU A 126 6.110 1.916 -5.996 1.00 0.00 C ATOM 1835 O GLU A 126 6.720 2.312 -5.003 1.00 0.00 O ATOM 1836 CB GLU A 126 7.580 3.437 -7.331 1.00 0.00 C ATOM 1837 CG GLU A 126 8.415 3.334 -8.597 1.00 0.00 C ATOM 1838 CD GLU A 126 9.535 4.355 -8.643 1.00 0.00 C ATOM 1839 OE1 GLU A 126 10.165 4.594 -7.593 1.00 0.00 O ATOM 1840 OE2 GLU A 126 9.780 4.917 -9.732 1.00 0.00 O ATOM 0 H GLU A 126 4.871 4.053 -7.018 1.00 0.00 H new ATOM 0 HA GLU A 126 6.435 1.791 -8.107 1.00 0.00 H new ATOM 0 HB2 GLU A 126 7.295 4.478 -7.177 1.00 0.00 H new ATOM 0 HB3 GLU A 126 8.192 3.144 -6.478 1.00 0.00 H new ATOM 0 HG2 GLU A 126 8.839 2.332 -8.667 1.00 0.00 H new ATOM 0 HG3 GLU A 126 7.770 3.469 -9.465 1.00 0.00 H new ATOM 1847 N PHE A 127 5.244 0.910 -5.959 1.00 0.00 N ATOM 1848 CA PHE A 127 4.953 0.197 -4.721 1.00 0.00 C ATOM 1849 C PHE A 127 5.139 -1.307 -4.902 1.00 0.00 C ATOM 1850 O PHE A 127 4.369 -1.957 -5.606 1.00 0.00 O ATOM 1851 CB PHE A 127 3.524 0.494 -4.259 1.00 0.00 C ATOM 1852 CG PHE A 127 3.129 -0.251 -3.016 1.00 0.00 C ATOM 1853 CD1 PHE A 127 4.086 -0.655 -2.101 1.00 0.00 C ATOM 1854 CD2 PHE A 127 1.799 -0.549 -2.765 1.00 0.00 C ATOM 1855 CE1 PHE A 127 3.726 -1.341 -0.956 1.00 0.00 C ATOM 1856 CE2 PHE A 127 1.432 -1.233 -1.622 1.00 0.00 C ATOM 1857 CZ PHE A 127 2.397 -1.631 -0.717 1.00 0.00 C ATOM 0 H PHE A 127 4.731 0.570 -6.772 1.00 0.00 H new ATOM 0 HA PHE A 127 5.652 0.543 -3.960 1.00 0.00 H new ATOM 0 HB2 PHE A 127 3.424 1.564 -4.079 1.00 0.00 H new ATOM 0 HB3 PHE A 127 2.831 0.240 -5.061 1.00 0.00 H new ATOM 0 HD1 PHE A 127 5.127 -0.432 -2.284 1.00 0.00 H new ATOM 0 HD2 PHE A 127 1.041 -0.243 -3.471 1.00 0.00 H new ATOM 0 HE1 PHE A 127 4.483 -1.650 -0.250 1.00 0.00 H new ATOM 0 HE2 PHE A 127 0.392 -1.456 -1.436 1.00 0.00 H new ATOM 0 HZ PHE A 127 2.113 -2.168 0.176 1.00 0.00 H new ATOM 1867 N GLU A 128 6.168 -1.851 -4.260 1.00 0.00 N ATOM 1868 CA GLU A 128 6.456 -3.278 -4.352 1.00 0.00 C ATOM 1869 C GLU A 128 6.471 -3.920 -2.968 1.00 0.00 C ATOM 1870 O GLU A 128 7.217 -3.499 -2.084 1.00 0.00 O ATOM 1871 CB GLU A 128 7.801 -3.505 -5.045 1.00 0.00 C ATOM 1872 CG GLU A 128 8.948 -2.732 -4.418 1.00 0.00 C ATOM 1873 CD GLU A 128 10.202 -2.751 -5.271 1.00 0.00 C ATOM 1874 OE1 GLU A 128 11.004 -3.696 -5.128 1.00 0.00 O ATOM 1875 OE2 GLU A 128 10.379 -1.819 -6.085 1.00 0.00 O ATOM 0 H GLU A 128 6.815 -1.326 -3.671 1.00 0.00 H new ATOM 0 HA GLU A 128 5.667 -3.745 -4.942 1.00 0.00 H new ATOM 0 HB2 GLU A 128 8.036 -4.569 -5.023 1.00 0.00 H new ATOM 0 HB3 GLU A 128 7.712 -3.220 -6.093 1.00 0.00 H new ATOM 0 HG2 GLU A 128 8.639 -1.699 -4.256 1.00 0.00 H new ATOM 0 HG3 GLU A 128 9.173 -3.155 -3.439 1.00 0.00 H new ATOM 1882 N VAL A 129 5.640 -4.942 -2.787 1.00 0.00 N ATOM 1883 CA VAL A 129 5.556 -5.643 -1.512 1.00 0.00 C ATOM 1884 C VAL A 129 5.359 -7.141 -1.721 1.00 0.00 C ATOM 1885 O VAL A 129 4.417 -7.566 -2.389 1.00 0.00 O ATOM 1886 CB VAL A 129 4.403 -5.101 -0.648 1.00 0.00 C ATOM 1887 CG1 VAL A 129 3.095 -5.126 -1.425 1.00 0.00 C ATOM 1888 CG2 VAL A 129 4.282 -5.899 0.641 1.00 0.00 C ATOM 0 H VAL A 129 5.015 -5.303 -3.508 1.00 0.00 H new ATOM 0 HA VAL A 129 6.500 -5.472 -0.994 1.00 0.00 H new ATOM 0 HB VAL A 129 4.623 -4.066 -0.388 1.00 0.00 H new ATOM 0 HG11 VAL A 129 2.292 -4.739 -0.798 1.00 0.00 H new ATOM 0 HG12 VAL A 129 3.190 -4.506 -2.317 1.00 0.00 H new ATOM 0 HG13 VAL A 129 2.865 -6.150 -1.718 1.00 0.00 H new ATOM 0 HG21 VAL A 129 3.462 -5.502 1.239 1.00 0.00 H new ATOM 0 HG22 VAL A 129 4.085 -6.945 0.404 1.00 0.00 H new ATOM 0 HG23 VAL A 129 5.212 -5.823 1.205 1.00 0.00 H new ATOM 1898 N TYR A 130 6.254 -7.936 -1.143 1.00 0.00 N ATOM 1899 CA TYR A 130 6.180 -9.386 -1.266 1.00 0.00 C ATOM 1900 C TYR A 130 7.316 -10.057 -0.499 1.00 0.00 C ATOM 1901 O TYR A 130 8.321 -9.425 -0.178 1.00 0.00 O ATOM 1902 CB TYR A 130 6.233 -9.797 -2.739 1.00 0.00 C ATOM 1903 CG TYR A 130 7.302 -9.078 -3.531 1.00 0.00 C ATOM 1904 CD1 TYR A 130 8.628 -9.486 -3.474 1.00 0.00 C ATOM 1905 CD2 TYR A 130 6.985 -7.991 -4.337 1.00 0.00 C ATOM 1906 CE1 TYR A 130 9.609 -8.832 -4.194 1.00 0.00 C ATOM 1907 CE2 TYR A 130 7.958 -7.332 -5.062 1.00 0.00 C ATOM 1908 CZ TYR A 130 9.269 -7.755 -4.987 1.00 0.00 C ATOM 1909 OH TYR A 130 10.243 -7.102 -5.707 1.00 0.00 O ATOM 0 H TYR A 130 7.039 -7.600 -0.585 1.00 0.00 H new ATOM 0 HA TYR A 130 5.233 -9.713 -0.837 1.00 0.00 H new ATOM 0 HB2 TYR A 130 6.407 -10.871 -2.802 1.00 0.00 H new ATOM 0 HB3 TYR A 130 5.263 -9.604 -3.196 1.00 0.00 H new ATOM 0 HD1 TYR A 130 8.897 -10.330 -2.856 1.00 0.00 H new ATOM 0 HD2 TYR A 130 5.960 -7.656 -4.397 1.00 0.00 H new ATOM 0 HE1 TYR A 130 10.636 -9.162 -4.137 1.00 0.00 H new ATOM 0 HE2 TYR A 130 7.694 -6.490 -5.685 1.00 0.00 H new ATOM 0 HH TYR A 130 9.838 -6.368 -6.214 1.00 0.00 H new ATOM 1919 N GLY A 131 7.146 -11.343 -0.210 1.00 0.00 N ATOM 1920 CA GLY A 131 8.163 -12.080 0.517 1.00 0.00 C ATOM 1921 C GLY A 131 8.852 -13.120 -0.344 1.00 0.00 C ATOM 1922 O GLY A 131 9.522 -14.016 0.170 1.00 0.00 O ATOM 0 H GLY A 131 6.323 -11.888 -0.466 1.00 0.00 H new ATOM 0 HA2 GLY A 131 8.906 -11.383 0.904 1.00 0.00 H new ATOM 0 HA3 GLY A 131 7.707 -12.569 1.378 1.00 0.00 H new TER 1926 GLY A 131