USER MOD reduce.3.24.130724 H: found=0, std=0, add=536, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 536 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 58 HIS : no HE2:sc= 1.14 K(o=2,f=-7.3!) USER MOD Set 1.2: A 59 GLN : amide:sc= 0.847 K(o=2,f=-3.2!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 4 HIS : no HD1:sc=-0.00928 X(o=-0.0093,f=-0.0007) USER MOD Single : A 5 HIS : no HE2:sc= 0.0558 K(o=0.056,f=-1.4) USER MOD Single : A 6 HIS : no HE2:sc= -0.117 K(o=-0.12,f=-2.5!) USER MOD Single : A 7 HIS : no HD1:sc= -0.156 X(o=-0.16,f=-0.16) USER MOD Single : A 8 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 10 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 11 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 12 ASN : amide:sc= 0.625 K(o=0.62,f=-5.6!) USER MOD Single : A 13 HIS : no HE2:sc= -0.256 K(o=-0.26,f=-0.94) USER MOD Single : A 14 GLN : amide:sc= -0.752! C(o=-0.75!,f=-3.4!) USER MOD Single : A 15 HIS : no HD1:sc= -0.096 X(o=-0.096,f=-0.0066) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 35 THR OG1 : rot 180:sc= 0.75 USER MOD Single : A 37 LYS NZ :NH3+ 171:sc= -0.0102 (180deg=-0.109) USER MOD Single : A 43 THR OG1 : rot 170:sc= -0.643 USER MOD Single : A 48 SER OG : rot -93:sc= 0.575 USER MOD Single : A 51 ASN : amide:sc= 0 X(o=0,f=-0.43) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 THR OG1 : rot -33:sc= 0.853 USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 67 ASN :FLIP amide:sc= -0.749 F(o=-1.4,f=-0.75) USER MOD Single : A 70 THR OG1 : rot 180:sc= -0.187 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -31.056 -15.372 -15.133 1.00 35.41 N ATOM 2 CA MET A 1 -31.973 -16.064 -14.181 1.00 70.21 C ATOM 3 C MET A 1 -32.927 -15.081 -13.492 1.00 64.30 C ATOM 4 O MET A 1 -32.499 -14.069 -12.935 1.00 0.41 O ATOM 5 CB MET A 1 -31.165 -16.823 -13.115 1.00 23.44 C ATOM 6 CG MET A 1 -32.027 -17.507 -12.055 1.00 25.34 C ATOM 7 SD MET A 1 -31.044 -18.327 -10.786 1.00 51.04 S ATOM 8 CE MET A 1 -32.344 -18.919 -9.699 1.00 25.04 C ATOM 0 H1 MET A 1 -30.427 -16.070 -15.579 1.00 35.41 H new ATOM 0 H2 MET A 1 -31.615 -14.892 -15.867 1.00 35.41 H new ATOM 0 H3 MET A 1 -30.486 -14.671 -14.618 1.00 35.41 H new ATOM 0 HA MET A 1 -32.569 -16.768 -14.762 1.00 70.21 H new ATOM 0 HB2 MET A 1 -30.548 -17.574 -13.608 1.00 23.44 H new ATOM 0 HB3 MET A 1 -30.486 -16.126 -12.623 1.00 23.44 H new ATOM 0 HG2 MET A 1 -32.675 -16.767 -11.586 1.00 25.34 H new ATOM 0 HG3 MET A 1 -32.676 -18.239 -12.536 1.00 25.34 H new ATOM 0 HE1 MET A 1 -31.900 -19.452 -8.858 1.00 25.04 H new ATOM 0 HE2 MET A 1 -32.922 -18.072 -9.328 1.00 25.04 H new ATOM 0 HE3 MET A 1 -33.000 -19.593 -10.250 1.00 25.04 H new ATOM 20 N GLY A 2 -34.222 -15.386 -13.528 1.00 61.43 N ATOM 21 CA GLY A 2 -35.209 -14.569 -12.834 1.00 20.04 C ATOM 22 C GLY A 2 -35.569 -13.278 -13.564 1.00 53.33 C ATOM 23 O GLY A 2 -34.736 -12.685 -14.261 1.00 23.43 O ATOM 0 H GLY A 2 -34.608 -16.187 -14.027 1.00 61.43 H new ATOM 0 HA2 GLY A 2 -36.115 -15.157 -12.689 1.00 20.04 H new ATOM 0 HA3 GLY A 2 -34.828 -14.320 -11.843 1.00 20.04 H new ATOM 27 N HIS A 3 -36.816 -12.838 -13.409 1.00 24.12 N ATOM 28 CA HIS A 3 -37.255 -11.564 -13.980 1.00 0.33 C ATOM 29 C HIS A 3 -36.650 -10.394 -13.193 1.00 44.15 C ATOM 30 O HIS A 3 -36.388 -9.328 -13.745 1.00 51.31 O ATOM 31 CB HIS A 3 -38.787 -11.468 -13.982 1.00 22.15 C ATOM 32 CG HIS A 3 -39.312 -10.280 -14.735 1.00 22.50 C ATOM 33 ND1 HIS A 3 -39.731 -9.114 -14.127 1.00 70.33 N ATOM 34 CD2 HIS A 3 -39.481 -10.084 -16.062 1.00 0.34 C ATOM 35 CE1 HIS A 3 -40.130 -8.259 -15.046 1.00 5.25 C ATOM 36 NE2 HIS A 3 -39.987 -8.821 -16.228 1.00 4.22 N ATOM 0 H HIS A 3 -37.539 -13.342 -12.895 1.00 24.12 H new ATOM 0 HA HIS A 3 -36.907 -11.512 -15.012 1.00 0.33 H new ATOM 0 HB2 HIS A 3 -39.199 -12.377 -14.420 1.00 22.15 H new ATOM 0 HB3 HIS A 3 -39.141 -11.421 -12.952 1.00 22.15 H new ATOM 0 HD2 HIS A 3 -39.258 -10.792 -16.847 1.00 0.34 H new ATOM 0 HE1 HIS A 3 -40.510 -7.265 -14.861 1.00 5.25 H new ATOM 0 HE2 HIS A 3 -40.216 -8.387 -17.122 1.00 4.22 H new ATOM 45 N HIS A 4 -36.428 -10.611 -11.896 1.00 50.50 N ATOM 46 CA HIS A 4 -35.805 -9.600 -11.036 1.00 4.32 C ATOM 47 C HIS A 4 -34.294 -9.504 -11.308 1.00 62.04 C ATOM 48 O HIS A 4 -33.497 -10.252 -10.733 1.00 54.00 O ATOM 49 CB HIS A 4 -36.055 -9.928 -9.553 1.00 2.21 C ATOM 50 CG HIS A 4 -37.496 -9.846 -9.139 1.00 14.10 C ATOM 51 ND1 HIS A 4 -37.971 -8.906 -8.252 1.00 1.44 N ATOM 52 CD2 HIS A 4 -38.569 -10.600 -9.488 1.00 33.24 C ATOM 53 CE1 HIS A 4 -39.262 -9.083 -8.071 1.00 31.33 C ATOM 54 NE2 HIS A 4 -39.654 -10.100 -8.806 1.00 70.13 N ATOM 0 H HIS A 4 -36.670 -11.478 -11.416 1.00 50.50 H new ATOM 0 HA HIS A 4 -36.258 -8.636 -11.266 1.00 4.32 H new ATOM 0 HB2 HIS A 4 -35.686 -10.933 -9.348 1.00 2.21 H new ATOM 0 HB3 HIS A 4 -35.472 -9.243 -8.938 1.00 2.21 H new ATOM 0 HD2 HIS A 4 -38.571 -11.435 -10.172 1.00 33.24 H new ATOM 0 HE1 HIS A 4 -39.895 -8.491 -7.426 1.00 31.33 H new ATOM 0 HE2 HIS A 4 -40.607 -10.460 -8.862 1.00 70.13 H new ATOM 63 N HIS A 5 -33.906 -8.602 -12.204 1.00 45.35 N ATOM 64 CA HIS A 5 -32.490 -8.397 -12.528 1.00 71.12 C ATOM 65 C HIS A 5 -31.798 -7.551 -11.446 1.00 62.22 C ATOM 66 O HIS A 5 -31.474 -6.379 -11.648 1.00 40.25 O ATOM 67 CB HIS A 5 -32.356 -7.759 -13.918 1.00 44.21 C ATOM 68 CG HIS A 5 -32.847 -8.660 -15.014 1.00 21.05 C ATOM 69 ND1 HIS A 5 -34.177 -8.788 -15.353 1.00 13.15 N ATOM 70 CD2 HIS A 5 -32.174 -9.505 -15.831 1.00 5.33 C ATOM 71 CE1 HIS A 5 -34.299 -9.671 -16.325 1.00 22.30 C ATOM 72 NE2 HIS A 5 -33.103 -10.119 -16.631 1.00 35.13 N ATOM 0 H HIS A 5 -34.548 -8.000 -12.720 1.00 45.35 H new ATOM 0 HA HIS A 5 -31.989 -9.365 -12.550 1.00 71.12 H new ATOM 0 HB2 HIS A 5 -32.917 -6.825 -13.941 1.00 44.21 H new ATOM 0 HB3 HIS A 5 -31.311 -7.507 -14.100 1.00 44.21 H new ATOM 0 HD1 HIS A 5 -34.947 -8.279 -14.919 1.00 13.15 H new ATOM 0 HD2 HIS A 5 -31.106 -9.665 -15.849 1.00 5.33 H new ATOM 0 HE1 HIS A 5 -35.225 -9.974 -16.790 1.00 22.30 H new ATOM 81 N HIS A 6 -31.589 -8.167 -10.283 1.00 63.24 N ATOM 82 CA HIS A 6 -31.025 -7.478 -9.115 1.00 51.43 C ATOM 83 C HIS A 6 -29.486 -7.414 -9.156 1.00 35.44 C ATOM 84 O HIS A 6 -28.801 -8.112 -8.408 1.00 75.34 O ATOM 85 CB HIS A 6 -31.510 -8.147 -7.815 1.00 10.41 C ATOM 86 CG HIS A 6 -31.398 -9.644 -7.818 1.00 24.02 C ATOM 87 ND1 HIS A 6 -30.201 -10.315 -7.701 1.00 2.32 N ATOM 88 CD2 HIS A 6 -32.349 -10.602 -7.937 1.00 41.21 C ATOM 89 CE1 HIS A 6 -30.417 -11.615 -7.751 1.00 41.31 C ATOM 90 NE2 HIS A 6 -31.709 -11.814 -7.893 1.00 32.41 N ATOM 0 H HIS A 6 -31.803 -9.151 -10.121 1.00 63.24 H new ATOM 0 HA HIS A 6 -31.383 -6.449 -9.141 1.00 51.43 H new ATOM 0 HB2 HIS A 6 -30.933 -7.752 -6.979 1.00 10.41 H new ATOM 0 HB3 HIS A 6 -32.551 -7.871 -7.643 1.00 10.41 H new ATOM 0 HD1 HIS A 6 -29.288 -9.874 -7.592 1.00 2.32 H new ATOM 0 HD2 HIS A 6 -33.411 -10.441 -8.046 1.00 41.21 H new ATOM 0 HE1 HIS A 6 -29.662 -12.384 -7.686 1.00 41.31 H new ATOM 99 N HIS A 7 -28.964 -6.588 -10.060 1.00 65.44 N ATOM 100 CA HIS A 7 -27.521 -6.308 -10.149 1.00 14.32 C ATOM 101 C HIS A 7 -27.262 -4.924 -10.770 1.00 40.24 C ATOM 102 O HIS A 7 -27.528 -4.703 -11.953 1.00 5.31 O ATOM 103 CB HIS A 7 -26.785 -7.387 -10.970 1.00 54.32 C ATOM 104 CG HIS A 7 -26.490 -8.649 -10.210 1.00 73.11 C ATOM 105 ND1 HIS A 7 -25.502 -8.731 -9.253 1.00 65.40 N ATOM 106 CD2 HIS A 7 -27.043 -9.887 -10.276 1.00 0.22 C ATOM 107 CE1 HIS A 7 -25.458 -9.952 -8.763 1.00 22.31 C ATOM 108 NE2 HIS A 7 -26.381 -10.675 -9.366 1.00 12.23 N ATOM 0 H HIS A 7 -29.523 -6.091 -10.754 1.00 65.44 H new ATOM 0 HA HIS A 7 -27.132 -6.319 -9.131 1.00 14.32 H new ATOM 0 HB2 HIS A 7 -27.387 -7.636 -11.844 1.00 54.32 H new ATOM 0 HB3 HIS A 7 -25.847 -6.970 -11.337 1.00 54.32 H new ATOM 0 HD2 HIS A 7 -27.852 -10.195 -10.923 1.00 0.22 H new ATOM 0 HE1 HIS A 7 -24.781 -10.302 -7.998 1.00 22.31 H new ATOM 0 HE2 HIS A 7 -26.573 -11.661 -9.186 1.00 12.23 H new ATOM 117 N HIS A 8 -26.759 -3.991 -9.964 1.00 54.40 N ATOM 118 CA HIS A 8 -26.374 -2.661 -10.460 1.00 1.24 C ATOM 119 C HIS A 8 -25.003 -2.719 -11.154 1.00 34.20 C ATOM 120 O HIS A 8 -24.708 -1.920 -12.043 1.00 70.22 O ATOM 121 CB HIS A 8 -26.346 -1.648 -9.307 1.00 13.53 C ATOM 122 CG HIS A 8 -26.078 -0.235 -9.731 1.00 32.41 C ATOM 123 ND1 HIS A 8 -24.820 0.328 -9.731 1.00 45.51 N ATOM 124 CD2 HIS A 8 -26.917 0.738 -10.158 1.00 41.34 C ATOM 125 CE1 HIS A 8 -24.896 1.578 -10.135 1.00 35.41 C ATOM 126 NE2 HIS A 8 -26.154 1.852 -10.401 1.00 21.50 N ATOM 0 H HIS A 8 -26.607 -4.126 -8.965 1.00 54.40 H new ATOM 0 HA HIS A 8 -27.116 -2.338 -11.190 1.00 1.24 H new ATOM 0 HB2 HIS A 8 -27.302 -1.683 -8.785 1.00 13.53 H new ATOM 0 HB3 HIS A 8 -25.582 -1.951 -8.592 1.00 13.53 H new ATOM 0 HD2 HIS A 8 -27.986 0.653 -10.284 1.00 41.34 H new ATOM 0 HE1 HIS A 8 -24.066 2.262 -10.232 1.00 35.41 H new ATOM 0 HE2 HIS A 8 -26.506 2.749 -10.735 1.00 21.50 H new ATOM 135 N SER A 9 -24.166 -3.658 -10.719 1.00 10.53 N ATOM 136 CA SER A 9 -22.879 -3.919 -11.376 1.00 31.23 C ATOM 137 C SER A 9 -23.097 -4.370 -12.825 1.00 10.01 C ATOM 138 O SER A 9 -23.905 -5.262 -13.094 1.00 64.44 O ATOM 139 CB SER A 9 -22.082 -4.985 -10.612 1.00 3.23 C ATOM 140 OG SER A 9 -20.821 -5.223 -11.222 1.00 24.15 O ATOM 0 H SER A 9 -24.353 -4.254 -9.913 1.00 10.53 H new ATOM 0 HA SER A 9 -22.308 -2.991 -11.376 1.00 31.23 H new ATOM 0 HB2 SER A 9 -21.935 -4.663 -9.581 1.00 3.23 H new ATOM 0 HB3 SER A 9 -22.652 -5.913 -10.577 1.00 3.23 H new ATOM 0 HG SER A 9 -20.335 -5.905 -10.713 1.00 24.15 H new ATOM 146 N HIS A 10 -22.375 -3.755 -13.752 1.00 52.13 N ATOM 147 CA HIS A 10 -22.591 -3.994 -15.182 1.00 11.42 C ATOM 148 C HIS A 10 -21.948 -5.301 -15.673 1.00 32.02 C ATOM 149 O HIS A 10 -22.507 -5.983 -16.533 1.00 74.33 O ATOM 150 CB HIS A 10 -22.074 -2.804 -15.992 1.00 12.24 C ATOM 151 CG HIS A 10 -22.840 -1.542 -15.730 1.00 74.14 C ATOM 152 ND1 HIS A 10 -22.495 -0.633 -14.751 1.00 25.02 N ATOM 153 CD2 HIS A 10 -23.956 -1.048 -16.315 1.00 2.44 C ATOM 154 CE1 HIS A 10 -23.362 0.359 -14.746 1.00 24.33 C ATOM 155 NE2 HIS A 10 -24.258 0.132 -15.684 1.00 44.42 N ATOM 0 H HIS A 10 -21.634 -3.086 -13.544 1.00 52.13 H new ATOM 0 HA HIS A 10 -23.665 -4.102 -15.332 1.00 11.42 H new ATOM 0 HB2 HIS A 10 -21.022 -2.640 -15.756 1.00 12.24 H new ATOM 0 HB3 HIS A 10 -22.129 -3.043 -17.054 1.00 12.24 H new ATOM 0 HD2 HIS A 10 -24.506 -1.499 -17.127 1.00 2.44 H new ATOM 0 HE1 HIS A 10 -23.341 1.213 -14.085 1.00 24.33 H new ATOM 0 HE2 HIS A 10 -25.049 0.736 -15.906 1.00 44.42 H new ATOM 164 N MET A 11 -20.784 -5.654 -15.128 1.00 45.01 N ATOM 165 CA MET A 11 -20.103 -6.897 -15.523 1.00 2.40 C ATOM 166 C MET A 11 -19.384 -7.566 -14.339 1.00 72.53 C ATOM 167 O MET A 11 -19.078 -6.926 -13.328 1.00 11.52 O ATOM 168 CB MET A 11 -19.103 -6.638 -16.662 1.00 40.10 C ATOM 169 CG MET A 11 -17.969 -5.685 -16.305 1.00 13.22 C ATOM 170 SD MET A 11 -16.754 -5.548 -17.633 1.00 30.31 S ATOM 171 CE MET A 11 -15.556 -4.441 -16.890 1.00 2.21 C ATOM 0 H MET A 11 -20.294 -5.108 -14.420 1.00 45.01 H new ATOM 0 HA MET A 11 -20.876 -7.580 -15.874 1.00 2.40 H new ATOM 0 HB2 MET A 11 -18.675 -7.590 -16.976 1.00 40.10 H new ATOM 0 HB3 MET A 11 -19.644 -6.234 -17.518 1.00 40.10 H new ATOM 0 HG2 MET A 11 -18.380 -4.699 -16.087 1.00 13.22 H new ATOM 0 HG3 MET A 11 -17.476 -6.033 -15.397 1.00 13.22 H new ATOM 0 HE1 MET A 11 -14.742 -4.261 -17.593 1.00 2.21 H new ATOM 0 HE2 MET A 11 -16.039 -3.495 -16.643 1.00 2.21 H new ATOM 0 HE3 MET A 11 -15.158 -4.893 -15.982 1.00 2.21 H new ATOM 181 N ASN A 12 -19.110 -8.858 -14.487 1.00 51.11 N ATOM 182 CA ASN A 12 -18.474 -9.654 -13.429 1.00 54.41 C ATOM 183 C ASN A 12 -16.960 -9.812 -13.658 1.00 35.01 C ATOM 184 O ASN A 12 -16.476 -9.756 -14.791 1.00 63.01 O ATOM 185 CB ASN A 12 -19.132 -11.041 -13.347 1.00 12.32 C ATOM 186 CG ASN A 12 -19.068 -11.801 -14.665 1.00 2.21 C ATOM 187 OD1 ASN A 12 -19.107 -11.212 -15.740 1.00 43.10 O ATOM 188 ND2 ASN A 12 -18.965 -13.111 -14.595 1.00 30.53 N ATOM 0 H ASN A 12 -19.318 -9.385 -15.335 1.00 51.11 H new ATOM 0 HA ASN A 12 -18.615 -9.121 -12.489 1.00 54.41 H new ATOM 0 HB2 ASN A 12 -18.640 -11.627 -12.570 1.00 12.32 H new ATOM 0 HB3 ASN A 12 -20.174 -10.927 -13.048 1.00 12.32 H new ATOM 0 HD21 ASN A 12 -18.915 -13.665 -15.450 1.00 30.53 H new ATOM 0 HD22 ASN A 12 -18.935 -13.572 -13.686 1.00 30.53 H new ATOM 195 N HIS A 13 -16.225 -9.994 -12.566 1.00 62.02 N ATOM 196 CA HIS A 13 -14.789 -10.299 -12.616 1.00 3.33 C ATOM 197 C HIS A 13 -14.346 -10.975 -11.310 1.00 42.33 C ATOM 198 O HIS A 13 -13.890 -10.315 -10.371 1.00 63.12 O ATOM 199 CB HIS A 13 -13.953 -9.035 -12.898 1.00 73.41 C ATOM 200 CG HIS A 13 -14.316 -7.845 -12.056 1.00 13.01 C ATOM 201 ND1 HIS A 13 -13.716 -7.555 -10.847 1.00 22.30 N ATOM 202 CD2 HIS A 13 -15.218 -6.858 -12.267 1.00 11.21 C ATOM 203 CE1 HIS A 13 -14.234 -6.446 -10.355 1.00 0.20 C ATOM 204 NE2 HIS A 13 -15.147 -6.006 -11.197 1.00 1.13 N ATOM 0 H HIS A 13 -16.602 -9.936 -11.620 1.00 62.02 H new ATOM 0 HA HIS A 13 -14.616 -10.990 -13.441 1.00 3.33 H new ATOM 0 HB2 HIS A 13 -12.900 -9.269 -12.739 1.00 73.41 H new ATOM 0 HB3 HIS A 13 -14.065 -8.768 -13.949 1.00 73.41 H new ATOM 0 HD1 HIS A 13 -12.986 -8.112 -10.403 1.00 22.30 H new ATOM 0 HD2 HIS A 13 -15.872 -6.760 -13.121 1.00 11.21 H new ATOM 0 HE1 HIS A 13 -13.957 -5.979 -9.422 1.00 0.20 H new ATOM 213 N GLN A 14 -14.509 -12.296 -11.252 1.00 60.52 N ATOM 214 CA GLN A 14 -14.260 -13.055 -10.023 1.00 2.44 C ATOM 215 C GLN A 14 -12.764 -13.107 -9.657 1.00 74.34 C ATOM 216 O GLN A 14 -12.035 -14.025 -10.034 1.00 3.32 O ATOM 217 CB GLN A 14 -14.865 -14.476 -10.100 1.00 35.44 C ATOM 218 CG GLN A 14 -14.401 -15.334 -11.286 1.00 61.40 C ATOM 219 CD GLN A 14 -15.065 -14.967 -12.606 1.00 52.11 C ATOM 220 OE1 GLN A 14 -14.564 -14.147 -13.367 1.00 5.41 O ATOM 221 NE2 GLN A 14 -16.209 -15.559 -12.882 1.00 1.22 N ATOM 0 H GLN A 14 -14.813 -12.865 -12.042 1.00 60.52 H new ATOM 0 HA GLN A 14 -14.765 -12.518 -9.220 1.00 2.44 H new ATOM 0 HB2 GLN A 14 -14.624 -15.004 -9.177 1.00 35.44 H new ATOM 0 HB3 GLN A 14 -15.951 -14.387 -10.142 1.00 35.44 H new ATOM 0 HG2 GLN A 14 -13.321 -15.235 -11.393 1.00 61.40 H new ATOM 0 HG3 GLN A 14 -14.605 -16.382 -11.066 1.00 61.40 H new ATOM 0 HE21 GLN A 14 -16.602 -16.238 -12.230 1.00 1.22 H new ATOM 0 HE22 GLN A 14 -16.701 -15.339 -13.748 1.00 1.22 H new ATOM 230 N HIS A 15 -12.312 -12.077 -8.944 1.00 13.11 N ATOM 231 CA HIS A 15 -10.962 -12.021 -8.367 1.00 43.43 C ATOM 232 C HIS A 15 -11.017 -11.305 -7.008 1.00 40.23 C ATOM 233 O HIS A 15 -11.118 -10.077 -6.947 1.00 34.33 O ATOM 234 CB HIS A 15 -9.982 -11.298 -9.308 1.00 31.02 C ATOM 235 CG HIS A 15 -9.686 -12.042 -10.578 1.00 63.20 C ATOM 236 ND1 HIS A 15 -9.846 -11.492 -11.829 1.00 61.34 N ATOM 237 CD2 HIS A 15 -9.216 -13.294 -10.785 1.00 32.02 C ATOM 238 CE1 HIS A 15 -9.488 -12.369 -12.744 1.00 55.00 C ATOM 239 NE2 HIS A 15 -9.103 -13.471 -12.140 1.00 32.35 N ATOM 0 H HIS A 15 -12.874 -11.249 -8.747 1.00 13.11 H new ATOM 0 HA HIS A 15 -10.601 -13.040 -8.231 1.00 43.43 H new ATOM 0 HB2 HIS A 15 -10.392 -10.320 -9.560 1.00 31.02 H new ATOM 0 HB3 HIS A 15 -9.047 -11.124 -8.776 1.00 31.02 H new ATOM 0 HD2 HIS A 15 -8.974 -14.020 -10.023 1.00 32.02 H new ATOM 0 HE1 HIS A 15 -9.508 -12.209 -13.812 1.00 55.00 H new ATOM 0 HE2 HIS A 15 -8.774 -14.318 -12.603 1.00 32.35 H new ATOM 248 N GLU A 16 -10.975 -12.083 -5.926 1.00 41.34 N ATOM 249 CA GLU A 16 -11.163 -11.545 -4.572 1.00 53.34 C ATOM 250 C GLU A 16 -9.902 -10.826 -4.064 1.00 53.34 C ATOM 251 O GLU A 16 -8.829 -11.427 -3.957 1.00 62.11 O ATOM 252 CB GLU A 16 -11.545 -12.677 -3.603 1.00 21.34 C ATOM 253 CG GLU A 16 -12.606 -13.638 -4.144 1.00 44.43 C ATOM 254 CD GLU A 16 -13.868 -12.941 -4.638 1.00 2.02 C ATOM 255 OE1 GLU A 16 -14.691 -12.519 -3.796 1.00 33.25 O ATOM 256 OE2 GLU A 16 -14.048 -12.821 -5.871 1.00 73.23 O ATOM 0 H GLU A 16 -10.812 -13.089 -5.958 1.00 41.34 H new ATOM 0 HA GLU A 16 -11.970 -10.813 -4.616 1.00 53.34 H new ATOM 0 HB2 GLU A 16 -10.649 -13.246 -3.356 1.00 21.34 H new ATOM 0 HB3 GLU A 16 -11.909 -12.237 -2.675 1.00 21.34 H new ATOM 0 HG2 GLU A 16 -12.177 -14.216 -4.962 1.00 44.43 H new ATOM 0 HG3 GLU A 16 -12.876 -14.346 -3.361 1.00 44.43 H new ATOM 263 N ALA A 17 -10.039 -9.540 -3.748 1.00 73.31 N ATOM 264 CA ALA A 17 -8.920 -8.740 -3.240 1.00 42.32 C ATOM 265 C ALA A 17 -8.748 -8.906 -1.721 1.00 3.31 C ATOM 266 O ALA A 17 -9.694 -8.704 -0.955 1.00 0.35 O ATOM 267 CB ALA A 17 -9.132 -7.274 -3.594 1.00 32.43 C ATOM 0 H ALA A 17 -10.916 -9.026 -3.834 1.00 73.31 H new ATOM 0 HA ALA A 17 -8.005 -9.098 -3.713 1.00 42.32 H new ATOM 0 HB1 ALA A 17 -8.298 -6.684 -3.214 1.00 32.43 H new ATOM 0 HB2 ALA A 17 -9.190 -7.166 -4.677 1.00 32.43 H new ATOM 0 HB3 ALA A 17 -10.060 -6.922 -3.144 1.00 32.43 H new ATOM 273 N ARG A 18 -7.538 -9.269 -1.295 1.00 2.01 N ATOM 274 CA ARG A 18 -7.242 -9.476 0.129 1.00 65.33 C ATOM 275 C ARG A 18 -6.917 -8.146 0.832 1.00 54.43 C ATOM 276 O ARG A 18 -6.560 -7.156 0.188 1.00 72.01 O ATOM 277 CB ARG A 18 -6.065 -10.457 0.292 1.00 34.01 C ATOM 278 CG ARG A 18 -4.710 -9.881 -0.121 1.00 64.33 C ATOM 279 CD ARG A 18 -3.591 -10.916 -0.036 1.00 52.33 C ATOM 280 NE ARG A 18 -3.737 -11.961 -1.043 1.00 32.52 N ATOM 281 CZ ARG A 18 -3.223 -13.157 -0.945 1.00 54.33 C ATOM 282 NH1 ARG A 18 -2.528 -13.503 0.091 1.00 54.30 N ATOM 283 NH2 ARG A 18 -3.409 -14.007 -1.895 1.00 4.30 N ATOM 0 H ARG A 18 -6.743 -9.427 -1.915 1.00 2.01 H new ATOM 0 HA ARG A 18 -8.131 -9.899 0.596 1.00 65.33 H new ATOM 0 HB2 ARG A 18 -6.011 -10.773 1.334 1.00 34.01 H new ATOM 0 HB3 ARG A 18 -6.265 -11.349 -0.302 1.00 34.01 H new ATOM 0 HG2 ARG A 18 -4.774 -9.502 -1.141 1.00 64.33 H new ATOM 0 HG3 ARG A 18 -4.467 -9.033 0.520 1.00 64.33 H new ATOM 0 HD2 ARG A 18 -2.628 -10.421 -0.164 1.00 52.33 H new ATOM 0 HD3 ARG A 18 -3.588 -11.367 0.957 1.00 52.33 H new ATOM 0 HE ARG A 18 -4.277 -11.743 -1.880 1.00 32.52 H new ATOM 0 HH11 ARG A 18 -2.374 -12.837 0.848 1.00 54.30 H new ATOM 0 HH12 ARG A 18 -2.134 -14.442 0.150 1.00 54.30 H new ATOM 0 HH21 ARG A 18 -3.954 -13.743 -2.716 1.00 4.30 H new ATOM 0 HH22 ARG A 18 -3.011 -14.944 -1.827 1.00 4.30 H new ATOM 297 N LYS A 19 -7.035 -8.129 2.161 1.00 3.43 N ATOM 298 CA LYS A 19 -6.769 -6.915 2.946 1.00 1.14 C ATOM 299 C LYS A 19 -5.599 -7.102 3.928 1.00 13.34 C ATOM 300 O LYS A 19 -5.503 -8.118 4.621 1.00 24.21 O ATOM 301 CB LYS A 19 -8.029 -6.482 3.709 1.00 11.32 C ATOM 302 CG LYS A 19 -9.188 -6.080 2.802 1.00 12.04 C ATOM 303 CD LYS A 19 -10.363 -5.519 3.599 1.00 62.41 C ATOM 304 CE LYS A 19 -11.511 -5.087 2.692 1.00 1.44 C ATOM 305 NZ LYS A 19 -12.625 -4.475 3.463 1.00 52.44 N ATOM 0 H LYS A 19 -7.312 -8.938 2.718 1.00 3.43 H new ATOM 0 HA LYS A 19 -6.486 -6.134 2.240 1.00 1.14 H new ATOM 0 HB2 LYS A 19 -8.351 -7.299 4.354 1.00 11.32 H new ATOM 0 HB3 LYS A 19 -7.779 -5.643 4.358 1.00 11.32 H new ATOM 0 HG2 LYS A 19 -8.846 -5.334 2.084 1.00 12.04 H new ATOM 0 HG3 LYS A 19 -9.518 -6.946 2.229 1.00 12.04 H new ATOM 0 HD2 LYS A 19 -10.719 -6.273 4.301 1.00 62.41 H new ATOM 0 HD3 LYS A 19 -10.027 -4.667 4.190 1.00 62.41 H new ATOM 0 HE2 LYS A 19 -11.143 -4.372 1.956 1.00 1.44 H new ATOM 0 HE3 LYS A 19 -11.883 -5.950 2.140 1.00 1.44 H new ATOM 0 HZ1 LYS A 19 -13.385 -4.195 2.811 1.00 52.44 H new ATOM 0 HZ2 LYS A 19 -12.993 -5.165 4.148 1.00 52.44 H new ATOM 0 HZ3 LYS A 19 -12.277 -3.636 3.970 1.00 52.44 H new ATOM 319 N VAL A 20 -4.714 -6.108 3.968 1.00 64.42 N ATOM 320 CA VAL A 20 -3.557 -6.100 4.873 1.00 11.34 C ATOM 321 C VAL A 20 -3.526 -4.806 5.706 1.00 71.14 C ATOM 322 O VAL A 20 -4.375 -3.932 5.533 1.00 14.41 O ATOM 323 CB VAL A 20 -2.229 -6.231 4.078 1.00 12.44 C ATOM 324 CG1 VAL A 20 -2.168 -7.569 3.340 1.00 51.22 C ATOM 325 CG2 VAL A 20 -2.061 -5.061 3.103 1.00 31.13 C ATOM 0 H VAL A 20 -4.776 -5.281 3.374 1.00 64.42 H new ATOM 0 HA VAL A 20 -3.657 -6.955 5.541 1.00 11.34 H new ATOM 0 HB VAL A 20 -1.403 -6.199 4.789 1.00 12.44 H new ATOM 0 HG11 VAL A 20 -1.229 -7.639 2.790 1.00 51.22 H new ATOM 0 HG12 VAL A 20 -2.228 -8.385 4.060 1.00 51.22 H new ATOM 0 HG13 VAL A 20 -3.003 -7.638 2.643 1.00 51.22 H new ATOM 0 HG21 VAL A 20 -1.124 -5.174 2.557 1.00 31.13 H new ATOM 0 HG22 VAL A 20 -2.893 -5.052 2.398 1.00 31.13 H new ATOM 0 HG23 VAL A 20 -2.046 -4.123 3.659 1.00 31.13 H new ATOM 335 N ARG A 21 -2.553 -4.680 6.605 1.00 65.31 N ATOM 336 CA ARG A 21 -2.410 -3.463 7.420 1.00 32.22 C ATOM 337 C ARG A 21 -0.994 -2.872 7.327 1.00 74.53 C ATOM 338 O ARG A 21 -0.006 -3.603 7.263 1.00 75.02 O ATOM 339 CB ARG A 21 -2.770 -3.750 8.886 1.00 4.13 C ATOM 340 CG ARG A 21 -2.598 -2.546 9.812 1.00 41.00 C ATOM 341 CD ARG A 21 -2.998 -2.866 11.249 1.00 62.02 C ATOM 342 NE ARG A 21 -2.329 -4.064 11.755 1.00 25.22 N ATOM 343 CZ ARG A 21 -1.779 -4.169 12.935 1.00 63.04 C ATOM 344 NH1 ARG A 21 -1.707 -3.150 13.737 1.00 3.11 N ATOM 345 NH2 ARG A 21 -1.285 -5.301 13.306 1.00 0.41 N ATOM 0 H ARG A 21 -1.853 -5.398 6.792 1.00 65.31 H new ATOM 0 HA ARG A 21 -3.103 -2.723 7.020 1.00 32.22 H new ATOM 0 HB2 ARG A 21 -3.804 -4.090 8.936 1.00 4.13 H new ATOM 0 HB3 ARG A 21 -2.148 -4.568 9.250 1.00 4.13 H new ATOM 0 HG2 ARG A 21 -1.559 -2.218 9.790 1.00 41.00 H new ATOM 0 HG3 ARG A 21 -3.202 -1.717 9.444 1.00 41.00 H new ATOM 0 HD2 ARG A 21 -2.755 -2.018 11.889 1.00 62.02 H new ATOM 0 HD3 ARG A 21 -4.078 -3.005 11.301 1.00 62.02 H new ATOM 0 HE ARG A 21 -2.289 -4.878 11.141 1.00 25.22 H new ATOM 0 HH11 ARG A 21 -2.084 -2.247 13.449 1.00 3.11 H new ATOM 0 HH12 ARG A 21 -1.273 -3.253 14.655 1.00 3.11 H new ATOM 0 HH21 ARG A 21 -1.326 -6.105 12.680 1.00 0.41 H new ATOM 0 HH22 ARG A 21 -0.854 -5.392 14.226 1.00 0.41 H new ATOM 359 N ALA A 22 -0.906 -1.545 7.311 1.00 15.51 N ATOM 360 CA ALA A 22 0.389 -0.854 7.248 1.00 33.43 C ATOM 361 C ALA A 22 1.041 -0.730 8.633 1.00 33.44 C ATOM 362 O ALA A 22 0.360 -0.474 9.630 1.00 32.20 O ATOM 363 CB ALA A 22 0.211 0.526 6.632 1.00 53.03 C ATOM 0 H ALA A 22 -1.713 -0.922 7.341 1.00 15.51 H new ATOM 0 HA ALA A 22 1.053 -1.452 6.624 1.00 33.43 H new ATOM 0 HB1 ALA A 22 1.175 1.032 6.589 1.00 53.03 H new ATOM 0 HB2 ALA A 22 -0.192 0.425 5.624 1.00 53.03 H new ATOM 0 HB3 ALA A 22 -0.478 1.110 7.241 1.00 53.03 H new ATOM 369 N ILE A 23 2.363 -0.906 8.685 1.00 33.43 N ATOM 370 CA ILE A 23 3.123 -0.779 9.942 1.00 54.42 C ATOM 371 C ILE A 23 4.131 0.385 9.892 1.00 53.44 C ATOM 372 O ILE A 23 4.782 0.702 10.890 1.00 70.21 O ATOM 373 CB ILE A 23 3.874 -2.092 10.286 1.00 61.14 C ATOM 374 CG1 ILE A 23 4.749 -2.542 9.103 1.00 64.53 C ATOM 375 CG2 ILE A 23 2.881 -3.188 10.681 1.00 64.42 C ATOM 376 CD1 ILE A 23 5.552 -3.797 9.374 1.00 45.14 C ATOM 0 H ILE A 23 2.935 -1.137 7.873 1.00 33.43 H new ATOM 0 HA ILE A 23 2.391 -0.571 10.722 1.00 54.42 H new ATOM 0 HB ILE A 23 4.529 -1.904 11.137 1.00 61.14 H new ATOM 0 HG12 ILE A 23 4.111 -2.711 8.236 1.00 64.53 H new ATOM 0 HG13 ILE A 23 5.433 -1.734 8.842 1.00 64.53 H new ATOM 0 HG21 ILE A 23 3.424 -4.102 10.919 1.00 64.42 H new ATOM 0 HG22 ILE A 23 2.312 -2.866 11.553 1.00 64.42 H new ATOM 0 HG23 ILE A 23 2.199 -3.377 9.852 1.00 64.42 H new ATOM 0 HD11 ILE A 23 6.142 -4.049 8.493 1.00 45.14 H new ATOM 0 HD12 ILE A 23 6.218 -3.627 10.220 1.00 45.14 H new ATOM 0 HD13 ILE A 23 4.875 -4.620 9.604 1.00 45.14 H new ATOM 388 N TYR A 24 4.256 1.018 8.727 1.00 21.13 N ATOM 389 CA TYR A 24 5.136 2.184 8.563 1.00 51.03 C ATOM 390 C TYR A 24 4.407 3.321 7.833 1.00 12.33 C ATOM 391 O TYR A 24 3.761 3.098 6.809 1.00 41.35 O ATOM 392 CB TYR A 24 6.404 1.812 7.775 1.00 63.13 C ATOM 393 CG TYR A 24 7.250 0.729 8.419 1.00 30.32 C ATOM 394 CD1 TYR A 24 7.759 0.891 9.699 1.00 41.23 C ATOM 395 CD2 TYR A 24 7.532 -0.457 7.750 1.00 15.14 C ATOM 396 CE1 TYR A 24 8.530 -0.088 10.290 1.00 42.51 C ATOM 397 CE2 TYR A 24 8.302 -1.441 8.336 1.00 25.30 C ATOM 398 CZ TYR A 24 8.796 -1.254 9.606 1.00 64.25 C ATOM 399 OH TYR A 24 9.570 -2.230 10.192 1.00 11.45 O ATOM 0 H TYR A 24 3.760 0.746 7.878 1.00 21.13 H new ATOM 0 HA TYR A 24 5.420 2.519 9.561 1.00 51.03 H new ATOM 0 HB2 TYR A 24 6.113 1.483 6.777 1.00 63.13 H new ATOM 0 HB3 TYR A 24 7.015 2.706 7.650 1.00 63.13 H new ATOM 0 HD1 TYR A 24 7.548 1.800 10.243 1.00 41.23 H new ATOM 0 HD2 TYR A 24 7.142 -0.611 6.755 1.00 15.14 H new ATOM 0 HE1 TYR A 24 8.924 0.059 11.285 1.00 42.51 H new ATOM 0 HE2 TYR A 24 8.516 -2.354 7.800 1.00 25.30 H new ATOM 0 HH TYR A 24 9.661 -2.988 9.578 1.00 11.45 H new ATOM 409 N ASP A 25 4.510 4.537 8.366 1.00 33.13 N ATOM 410 CA ASP A 25 3.927 5.716 7.716 1.00 72.41 C ATOM 411 C ASP A 25 4.733 6.092 6.459 1.00 21.04 C ATOM 412 O ASP A 25 5.951 6.272 6.532 1.00 12.32 O ATOM 413 CB ASP A 25 3.898 6.895 8.690 1.00 72.15 C ATOM 414 CG ASP A 25 3.256 6.532 10.016 1.00 51.42 C ATOM 415 OD1 ASP A 25 2.068 6.176 10.027 1.00 61.43 O ATOM 416 OD2 ASP A 25 3.946 6.598 11.055 1.00 53.32 O ATOM 0 H ASP A 25 4.990 4.735 9.244 1.00 33.13 H new ATOM 0 HA ASP A 25 2.906 5.477 7.418 1.00 72.41 H new ATOM 0 HB2 ASP A 25 4.916 7.244 8.865 1.00 72.15 H new ATOM 0 HB3 ASP A 25 3.351 7.723 8.239 1.00 72.15 H new ATOM 421 N PHE A 26 4.064 6.208 5.312 1.00 25.44 N ATOM 422 CA PHE A 26 4.761 6.469 4.049 1.00 60.41 C ATOM 423 C PHE A 26 4.020 7.483 3.161 1.00 13.24 C ATOM 424 O PHE A 26 2.809 7.380 2.944 1.00 13.12 O ATOM 425 CB PHE A 26 4.955 5.150 3.284 1.00 60.52 C ATOM 426 CG PHE A 26 5.712 5.300 1.984 1.00 3.41 C ATOM 427 CD1 PHE A 26 7.099 5.358 1.977 1.00 43.53 C ATOM 428 CD2 PHE A 26 5.038 5.385 0.772 1.00 52.12 C ATOM 429 CE1 PHE A 26 7.796 5.492 0.790 1.00 2.31 C ATOM 430 CE2 PHE A 26 5.733 5.521 -0.417 1.00 23.02 C ATOM 431 CZ PHE A 26 7.112 5.577 -0.407 1.00 60.05 C ATOM 0 H PHE A 26 3.051 6.127 5.229 1.00 25.44 H new ATOM 0 HA PHE A 26 5.728 6.907 4.297 1.00 60.41 H new ATOM 0 HB2 PHE A 26 5.487 4.446 3.923 1.00 60.52 H new ATOM 0 HB3 PHE A 26 3.977 4.715 3.075 1.00 60.52 H new ATOM 0 HD1 PHE A 26 7.640 5.298 2.910 1.00 43.53 H new ATOM 0 HD2 PHE A 26 3.959 5.344 0.758 1.00 52.12 H new ATOM 0 HE1 PHE A 26 8.875 5.530 0.799 1.00 2.31 H new ATOM 0 HE2 PHE A 26 5.197 5.583 -1.352 1.00 23.02 H new ATOM 0 HZ PHE A 26 7.655 5.687 -1.334 1.00 60.05 H new ATOM 441 N GLU A 27 4.771 8.458 2.652 1.00 13.42 N ATOM 442 CA GLU A 27 4.273 9.396 1.644 1.00 44.54 C ATOM 443 C GLU A 27 4.748 8.954 0.255 1.00 43.32 C ATOM 444 O GLU A 27 5.948 8.762 0.044 1.00 54.12 O ATOM 445 CB GLU A 27 4.781 10.826 1.916 1.00 21.04 C ATOM 446 CG GLU A 27 4.270 11.460 3.212 1.00 22.33 C ATOM 447 CD GLU A 27 4.824 10.806 4.473 1.00 72.52 C ATOM 448 OE1 GLU A 27 6.063 10.787 4.645 1.00 31.41 O ATOM 449 OE2 GLU A 27 4.023 10.321 5.300 1.00 60.22 O ATOM 0 H GLU A 27 5.740 8.621 2.925 1.00 13.42 H new ATOM 0 HA GLU A 27 3.184 9.398 1.690 1.00 44.54 H new ATOM 0 HB2 GLU A 27 5.871 10.809 1.943 1.00 21.04 H new ATOM 0 HB3 GLU A 27 4.493 11.463 1.080 1.00 21.04 H new ATOM 0 HG2 GLU A 27 4.532 12.518 3.217 1.00 22.33 H new ATOM 0 HG3 GLU A 27 3.182 11.401 3.231 1.00 22.33 H new ATOM 456 N ALA A 28 3.816 8.784 -0.684 1.00 64.13 N ATOM 457 CA ALA A 28 4.161 8.349 -2.045 1.00 23.33 C ATOM 458 C ALA A 28 5.276 9.215 -2.648 1.00 14.22 C ATOM 459 O ALA A 28 5.075 10.399 -2.931 1.00 3.35 O ATOM 460 CB ALA A 28 2.931 8.379 -2.948 1.00 13.13 C ATOM 0 H ALA A 28 2.819 8.939 -0.532 1.00 64.13 H new ATOM 0 HA ALA A 28 4.527 7.325 -1.977 1.00 23.33 H new ATOM 0 HB1 ALA A 28 3.208 8.054 -3.951 1.00 13.13 H new ATOM 0 HB2 ALA A 28 2.169 7.711 -2.547 1.00 13.13 H new ATOM 0 HB3 ALA A 28 2.537 9.394 -2.992 1.00 13.13 H new ATOM 466 N ALA A 29 6.458 8.625 -2.823 1.00 23.22 N ATOM 467 CA ALA A 29 7.604 9.340 -3.390 1.00 30.01 C ATOM 468 C ALA A 29 7.420 9.559 -4.897 1.00 30.43 C ATOM 469 O ALA A 29 7.699 10.640 -5.421 1.00 74.45 O ATOM 470 CB ALA A 29 8.894 8.577 -3.110 1.00 41.51 C ATOM 0 H ALA A 29 6.648 7.653 -2.580 1.00 23.22 H new ATOM 0 HA ALA A 29 7.669 10.318 -2.914 1.00 30.01 H new ATOM 0 HB1 ALA A 29 9.738 9.119 -3.537 1.00 41.51 H new ATOM 0 HB2 ALA A 29 9.033 8.480 -2.033 1.00 41.51 H new ATOM 0 HB3 ALA A 29 8.835 7.586 -3.559 1.00 41.51 H new ATOM 476 N GLU A 30 6.941 8.528 -5.586 1.00 21.24 N ATOM 477 CA GLU A 30 6.647 8.615 -7.020 1.00 34.20 C ATOM 478 C GLU A 30 5.135 8.515 -7.287 1.00 63.11 C ATOM 479 O GLU A 30 4.377 8.003 -6.460 1.00 25.42 O ATOM 480 CB GLU A 30 7.405 7.524 -7.788 1.00 2.54 C ATOM 481 CG GLU A 30 8.921 7.654 -7.694 1.00 22.44 C ATOM 482 CD GLU A 30 9.655 6.669 -8.586 1.00 54.44 C ATOM 483 OE1 GLU A 30 9.721 6.909 -9.812 1.00 60.52 O ATOM 484 OE2 GLU A 30 10.180 5.656 -8.075 1.00 3.31 O ATOM 0 H GLU A 30 6.746 7.615 -5.175 1.00 21.24 H new ATOM 0 HA GLU A 30 6.983 9.589 -7.374 1.00 34.20 H new ATOM 0 HB2 GLU A 30 7.108 6.548 -7.404 1.00 2.54 H new ATOM 0 HB3 GLU A 30 7.110 7.558 -8.837 1.00 2.54 H new ATOM 0 HG2 GLU A 30 9.211 8.669 -7.966 1.00 22.44 H new ATOM 0 HG3 GLU A 30 9.230 7.500 -6.660 1.00 22.44 H new ATOM 491 N ASP A 31 4.714 8.996 -8.455 1.00 34.10 N ATOM 492 CA ASP A 31 3.290 9.102 -8.815 1.00 11.05 C ATOM 493 C ASP A 31 2.529 7.765 -8.703 1.00 1.03 C ATOM 494 O ASP A 31 1.355 7.737 -8.323 1.00 11.41 O ATOM 495 CB ASP A 31 3.173 9.640 -10.245 1.00 52.23 C ATOM 496 CG ASP A 31 3.738 11.043 -10.386 1.00 25.21 C ATOM 497 OD1 ASP A 31 4.980 11.191 -10.403 1.00 50.34 O ATOM 498 OD2 ASP A 31 2.945 12.003 -10.486 1.00 72.55 O ATOM 0 H ASP A 31 5.347 9.325 -9.184 1.00 34.10 H new ATOM 0 HA ASP A 31 2.829 9.784 -8.100 1.00 11.05 H new ATOM 0 HB2 ASP A 31 3.698 8.970 -10.926 1.00 52.23 H new ATOM 0 HB3 ASP A 31 2.125 9.642 -10.545 1.00 52.23 H new ATOM 503 N ASN A 32 3.189 6.663 -9.037 1.00 0.14 N ATOM 504 CA ASN A 32 2.531 5.350 -9.062 1.00 20.54 C ATOM 505 C ASN A 32 2.457 4.689 -7.673 1.00 33.15 C ATOM 506 O ASN A 32 1.926 3.586 -7.544 1.00 50.32 O ATOM 507 CB ASN A 32 3.235 4.417 -10.052 1.00 41.42 C ATOM 508 CG ASN A 32 3.072 4.878 -11.492 1.00 34.13 C ATOM 509 OD1 ASN A 32 3.908 5.599 -12.032 1.00 73.53 O ATOM 510 ND2 ASN A 32 1.985 4.483 -12.122 1.00 41.43 N ATOM 0 H ASN A 32 4.176 6.645 -9.294 1.00 0.14 H new ATOM 0 HA ASN A 32 1.505 5.522 -9.387 1.00 20.54 H new ATOM 0 HB2 ASN A 32 4.296 4.364 -9.807 1.00 41.42 H new ATOM 0 HB3 ASN A 32 2.833 3.409 -9.947 1.00 41.42 H new ATOM 0 HD21 ASN A 32 1.819 4.776 -13.085 1.00 41.43 H new ATOM 0 HD22 ASN A 32 1.309 3.885 -11.647 1.00 41.43 H new ATOM 517 N GLU A 33 2.972 5.353 -6.642 1.00 54.15 N ATOM 518 CA GLU A 33 2.927 4.805 -5.277 1.00 31.01 C ATOM 519 C GLU A 33 1.667 5.255 -4.519 1.00 51.22 C ATOM 520 O GLU A 33 0.989 6.207 -4.910 1.00 52.00 O ATOM 521 CB GLU A 33 4.187 5.192 -4.489 1.00 32.41 C ATOM 522 CG GLU A 33 5.480 4.621 -5.064 1.00 74.32 C ATOM 523 CD GLU A 33 6.682 4.880 -4.169 1.00 41.52 C ATOM 524 OE1 GLU A 33 7.184 6.023 -4.158 1.00 31.12 O ATOM 525 OE2 GLU A 33 7.137 3.939 -3.479 1.00 73.10 O ATOM 0 H GLU A 33 3.423 6.265 -6.717 1.00 54.15 H new ATOM 0 HA GLU A 33 2.890 3.720 -5.370 1.00 31.01 H new ATOM 0 HB2 GLU A 33 4.264 6.279 -4.458 1.00 32.41 H new ATOM 0 HB3 GLU A 33 4.078 4.851 -3.459 1.00 32.41 H new ATOM 0 HG2 GLU A 33 5.365 3.547 -5.210 1.00 74.32 H new ATOM 0 HG3 GLU A 33 5.661 5.059 -6.046 1.00 74.32 H new ATOM 532 N LEU A 34 1.358 4.550 -3.435 1.00 71.21 N ATOM 533 CA LEU A 34 0.162 4.824 -2.628 1.00 33.20 C ATOM 534 C LEU A 34 0.545 5.447 -1.268 1.00 60.14 C ATOM 535 O LEU A 34 1.433 4.954 -0.574 1.00 25.41 O ATOM 536 CB LEU A 34 -0.626 3.512 -2.414 1.00 5.44 C ATOM 537 CG LEU A 34 -2.161 3.639 -2.346 1.00 75.01 C ATOM 538 CD1 LEU A 34 -2.802 2.286 -2.060 1.00 72.42 C ATOM 539 CD2 LEU A 34 -2.596 4.675 -1.314 1.00 43.32 C ATOM 0 H LEU A 34 1.923 3.775 -3.088 1.00 71.21 H new ATOM 0 HA LEU A 34 -0.464 5.540 -3.160 1.00 33.20 H new ATOM 0 HB2 LEU A 34 -0.375 2.827 -3.224 1.00 5.44 H new ATOM 0 HB3 LEU A 34 -0.280 3.052 -1.488 1.00 5.44 H new ATOM 0 HG LEU A 34 -2.506 3.985 -3.321 1.00 75.01 H new ATOM 0 HD11 LEU A 34 -3.885 2.399 -2.016 1.00 72.42 H new ATOM 0 HD12 LEU A 34 -2.542 1.585 -2.853 1.00 72.42 H new ATOM 0 HD13 LEU A 34 -2.438 1.905 -1.106 1.00 72.42 H new ATOM 0 HD21 LEU A 34 -3.684 4.736 -1.296 1.00 43.32 H new ATOM 0 HD22 LEU A 34 -2.232 4.382 -0.329 1.00 43.32 H new ATOM 0 HD23 LEU A 34 -2.183 5.648 -1.579 1.00 43.32 H new ATOM 551 N THR A 35 -0.142 6.527 -0.890 1.00 34.33 N ATOM 552 CA THR A 35 0.127 7.216 0.384 1.00 23.44 C ATOM 553 C THR A 35 -0.872 6.815 1.486 1.00 74.34 C ATOM 554 O THR A 35 -2.048 7.180 1.431 1.00 61.32 O ATOM 555 CB THR A 35 0.072 8.759 0.223 1.00 11.51 C ATOM 556 OG1 THR A 35 0.993 9.188 -0.786 1.00 2.20 O ATOM 557 CG2 THR A 35 0.397 9.469 1.534 1.00 4.04 C ATOM 0 H THR A 35 -0.889 6.947 -1.444 1.00 34.33 H new ATOM 0 HA THR A 35 1.131 6.908 0.677 1.00 23.44 H new ATOM 0 HB THR A 35 -0.944 9.020 -0.071 1.00 11.51 H new ATOM 0 HG1 THR A 35 0.947 10.163 -0.878 1.00 2.20 H new ATOM 0 HG21 THR A 35 0.349 10.548 1.385 1.00 4.04 H new ATOM 0 HG22 THR A 35 -0.326 9.176 2.296 1.00 4.04 H new ATOM 0 HG23 THR A 35 1.400 9.192 1.859 1.00 4.04 H new ATOM 565 N PHE A 36 -0.394 6.070 2.483 1.00 22.33 N ATOM 566 CA PHE A 36 -1.190 5.761 3.684 1.00 71.13 C ATOM 567 C PHE A 36 -0.285 5.584 4.912 1.00 65.15 C ATOM 568 O PHE A 36 0.942 5.507 4.792 1.00 54.24 O ATOM 569 CB PHE A 36 -2.086 4.522 3.479 1.00 20.14 C ATOM 570 CG PHE A 36 -1.379 3.303 2.938 1.00 21.54 C ATOM 571 CD1 PHE A 36 -0.512 2.567 3.731 1.00 44.13 C ATOM 572 CD2 PHE A 36 -1.595 2.890 1.634 1.00 20.11 C ATOM 573 CE1 PHE A 36 0.122 1.448 3.230 1.00 24.13 C ATOM 574 CE2 PHE A 36 -0.963 1.773 1.126 1.00 13.12 C ATOM 575 CZ PHE A 36 -0.102 1.052 1.925 1.00 15.31 C ATOM 0 H PHE A 36 0.542 5.666 2.488 1.00 22.33 H new ATOM 0 HA PHE A 36 -1.848 6.611 3.862 1.00 71.13 H new ATOM 0 HB2 PHE A 36 -2.545 4.263 4.433 1.00 20.14 H new ATOM 0 HB3 PHE A 36 -2.895 4.786 2.797 1.00 20.14 H new ATOM 0 HD1 PHE A 36 -0.331 2.872 4.751 1.00 44.13 H new ATOM 0 HD2 PHE A 36 -2.269 3.451 1.004 1.00 20.11 H new ATOM 0 HE1 PHE A 36 0.794 0.882 3.858 1.00 24.13 H new ATOM 0 HE2 PHE A 36 -1.142 1.465 0.106 1.00 13.12 H new ATOM 0 HZ PHE A 36 0.397 0.179 1.532 1.00 15.31 H new ATOM 585 N LYS A 37 -0.888 5.523 6.099 1.00 74.01 N ATOM 586 CA LYS A 37 -0.124 5.487 7.353 1.00 63.14 C ATOM 587 C LYS A 37 -0.338 4.170 8.118 1.00 20.33 C ATOM 588 O LYS A 37 -1.241 3.390 7.806 1.00 62.33 O ATOM 589 CB LYS A 37 -0.524 6.680 8.236 1.00 23.42 C ATOM 590 CG LYS A 37 -0.451 8.029 7.525 1.00 32.25 C ATOM 591 CD LYS A 37 0.934 8.294 6.939 1.00 71.04 C ATOM 592 CE LYS A 37 0.963 9.583 6.130 1.00 34.55 C ATOM 593 NZ LYS A 37 0.631 10.771 6.960 1.00 54.40 N ATOM 0 H LYS A 37 -1.900 5.497 6.222 1.00 74.01 H new ATOM 0 HA LYS A 37 0.935 5.551 7.102 1.00 63.14 H new ATOM 0 HB2 LYS A 37 -1.540 6.526 8.599 1.00 23.42 H new ATOM 0 HB3 LYS A 37 0.126 6.706 9.111 1.00 23.42 H new ATOM 0 HG2 LYS A 37 -1.194 8.059 6.728 1.00 32.25 H new ATOM 0 HG3 LYS A 37 -0.705 8.823 8.227 1.00 32.25 H new ATOM 0 HD2 LYS A 37 1.665 8.353 7.745 1.00 71.04 H new ATOM 0 HD3 LYS A 37 1.227 7.458 6.303 1.00 71.04 H new ATOM 0 HE2 LYS A 37 1.952 9.713 5.691 1.00 34.55 H new ATOM 0 HE3 LYS A 37 0.255 9.509 5.305 1.00 34.55 H new ATOM 0 HZ1 LYS A 37 0.810 11.637 6.413 1.00 54.40 H new ATOM 0 HZ2 LYS A 37 -0.372 10.734 7.233 1.00 54.40 H new ATOM 0 HZ3 LYS A 37 1.223 10.773 7.815 1.00 54.40 H new ATOM 607 N ALA A 38 0.507 3.933 9.121 1.00 74.53 N ATOM 608 CA ALA A 38 0.388 2.750 9.974 1.00 43.03 C ATOM 609 C ALA A 38 -0.992 2.687 10.644 1.00 51.35 C ATOM 610 O ALA A 38 -1.464 3.676 11.213 1.00 33.24 O ATOM 611 CB ALA A 38 1.494 2.745 11.025 1.00 21.42 C ATOM 0 H ALA A 38 1.284 4.547 9.364 1.00 74.53 H new ATOM 0 HA ALA A 38 0.495 1.865 9.346 1.00 43.03 H new ATOM 0 HB1 ALA A 38 1.395 1.860 11.653 1.00 21.42 H new ATOM 0 HB2 ALA A 38 2.465 2.732 10.531 1.00 21.42 H new ATOM 0 HB3 ALA A 38 1.413 3.639 11.643 1.00 21.42 H new ATOM 617 N GLY A 39 -1.627 1.521 10.574 1.00 73.10 N ATOM 618 CA GLY A 39 -2.975 1.355 11.116 1.00 43.34 C ATOM 619 C GLY A 39 -4.030 1.154 10.030 1.00 11.20 C ATOM 620 O GLY A 39 -4.991 0.405 10.224 1.00 70.12 O ATOM 0 H GLY A 39 -1.234 0.680 10.150 1.00 73.10 H new ATOM 0 HA2 GLY A 39 -2.987 0.499 11.791 1.00 43.34 H new ATOM 0 HA3 GLY A 39 -3.234 2.232 11.709 1.00 43.34 H new ATOM 624 N GLU A 40 -3.847 1.813 8.884 1.00 3.20 N ATOM 625 CA GLU A 40 -4.787 1.696 7.754 1.00 72.33 C ATOM 626 C GLU A 40 -4.867 0.261 7.202 1.00 33.45 C ATOM 627 O GLU A 40 -3.864 -0.452 7.126 1.00 11.04 O ATOM 628 CB GLU A 40 -4.401 2.664 6.616 1.00 1.05 C ATOM 629 CG GLU A 40 -5.008 4.059 6.733 1.00 2.31 C ATOM 630 CD GLU A 40 -4.579 4.799 7.989 1.00 54.53 C ATOM 631 OE1 GLU A 40 -3.541 5.487 7.948 1.00 44.11 O ATOM 632 OE2 GLU A 40 -5.283 4.703 9.015 1.00 34.51 O ATOM 0 H GLU A 40 -3.058 2.435 8.708 1.00 3.20 H new ATOM 0 HA GLU A 40 -5.770 1.961 8.142 1.00 72.33 H new ATOM 0 HB2 GLU A 40 -3.315 2.756 6.588 1.00 1.05 H new ATOM 0 HB3 GLU A 40 -4.708 2.227 5.666 1.00 1.05 H new ATOM 0 HG2 GLU A 40 -4.724 4.646 5.859 1.00 2.31 H new ATOM 0 HG3 GLU A 40 -6.095 3.977 6.722 1.00 2.31 H new ATOM 639 N ILE A 41 -6.078 -0.145 6.817 1.00 45.31 N ATOM 640 CA ILE A 41 -6.301 -1.439 6.162 1.00 74.32 C ATOM 641 C ILE A 41 -6.308 -1.284 4.629 1.00 53.11 C ATOM 642 O ILE A 41 -7.168 -0.603 4.067 1.00 72.41 O ATOM 643 CB ILE A 41 -7.642 -2.076 6.618 1.00 22.40 C ATOM 644 CG1 ILE A 41 -7.653 -2.280 8.147 1.00 2.11 C ATOM 645 CG2 ILE A 41 -7.887 -3.401 5.894 1.00 23.42 C ATOM 646 CD1 ILE A 41 -6.546 -3.185 8.655 1.00 20.12 C ATOM 0 H ILE A 41 -6.926 0.407 6.948 1.00 45.31 H new ATOM 0 HA ILE A 41 -5.481 -2.095 6.454 1.00 74.32 H new ATOM 0 HB ILE A 41 -8.450 -1.393 6.358 1.00 22.40 H new ATOM 0 HG12 ILE A 41 -7.567 -1.309 8.634 1.00 2.11 H new ATOM 0 HG13 ILE A 41 -8.615 -2.699 8.441 1.00 2.11 H new ATOM 0 HG21 ILE A 41 -8.832 -3.829 6.229 1.00 23.42 H new ATOM 0 HG22 ILE A 41 -7.929 -3.226 4.819 1.00 23.42 H new ATOM 0 HG23 ILE A 41 -7.075 -4.093 6.118 1.00 23.42 H new ATOM 0 HD11 ILE A 41 -6.621 -3.279 9.738 1.00 20.12 H new ATOM 0 HD12 ILE A 41 -6.643 -4.170 8.198 1.00 20.12 H new ATOM 0 HD13 ILE A 41 -5.578 -2.757 8.394 1.00 20.12 H new ATOM 658 N ILE A 42 -5.347 -1.915 3.960 1.00 43.52 N ATOM 659 CA ILE A 42 -5.196 -1.785 2.507 1.00 2.20 C ATOM 660 C ILE A 42 -5.842 -2.961 1.760 1.00 15.14 C ATOM 661 O ILE A 42 -5.520 -4.122 2.015 1.00 52.42 O ATOM 662 CB ILE A 42 -3.701 -1.713 2.086 1.00 10.33 C ATOM 663 CG1 ILE A 42 -2.955 -0.598 2.846 1.00 33.42 C ATOM 664 CG2 ILE A 42 -3.579 -1.509 0.572 1.00 11.20 C ATOM 665 CD1 ILE A 42 -2.568 -0.960 4.268 1.00 62.33 C ATOM 0 H ILE A 42 -4.657 -2.524 4.399 1.00 43.52 H new ATOM 0 HA ILE A 42 -5.699 -0.856 2.239 1.00 2.20 H new ATOM 0 HB ILE A 42 -3.234 -2.662 2.349 1.00 10.33 H new ATOM 0 HG12 ILE A 42 -2.053 -0.338 2.292 1.00 33.42 H new ATOM 0 HG13 ILE A 42 -3.583 0.293 2.869 1.00 33.42 H new ATOM 0 HG21 ILE A 42 -2.526 -1.461 0.295 1.00 11.20 H new ATOM 0 HG22 ILE A 42 -4.053 -2.342 0.053 1.00 11.20 H new ATOM 0 HG23 ILE A 42 -4.071 -0.578 0.289 1.00 11.20 H new ATOM 0 HD11 ILE A 42 -2.048 -0.120 4.729 1.00 62.33 H new ATOM 0 HD12 ILE A 42 -3.466 -1.190 4.842 1.00 62.33 H new ATOM 0 HD13 ILE A 42 -1.912 -1.830 4.256 1.00 62.33 H new ATOM 677 N THR A 43 -6.746 -2.653 0.835 1.00 52.14 N ATOM 678 CA THR A 43 -7.309 -3.667 -0.062 1.00 12.04 C ATOM 679 C THR A 43 -6.468 -3.754 -1.342 1.00 14.22 C ATOM 680 O THR A 43 -6.495 -2.846 -2.172 1.00 71.34 O ATOM 681 CB THR A 43 -8.775 -3.343 -0.448 1.00 74.30 C ATOM 682 OG1 THR A 43 -9.578 -3.209 0.734 1.00 62.03 O ATOM 683 CG2 THR A 43 -9.364 -4.429 -1.346 1.00 61.41 C ATOM 0 H THR A 43 -7.107 -1.711 0.684 1.00 52.14 H new ATOM 0 HA THR A 43 -7.294 -4.618 0.470 1.00 12.04 H new ATOM 0 HB THR A 43 -8.776 -2.403 -0.999 1.00 74.30 H new ATOM 0 HG1 THR A 43 -10.457 -2.849 0.493 1.00 62.03 H new ATOM 0 HG21 THR A 43 -10.393 -4.173 -1.599 1.00 61.41 H new ATOM 0 HG22 THR A 43 -8.774 -4.506 -2.259 1.00 61.41 H new ATOM 0 HG23 THR A 43 -9.346 -5.384 -0.821 1.00 61.41 H new ATOM 691 N VAL A 44 -5.714 -4.837 -1.497 1.00 14.25 N ATOM 692 CA VAL A 44 -4.835 -5.003 -2.661 1.00 24.51 C ATOM 693 C VAL A 44 -5.526 -5.802 -3.784 1.00 70.31 C ATOM 694 O VAL A 44 -5.878 -6.968 -3.617 1.00 1.13 O ATOM 695 CB VAL A 44 -3.486 -5.669 -2.258 1.00 31.55 C ATOM 696 CG1 VAL A 44 -3.710 -7.012 -1.565 1.00 33.42 C ATOM 697 CG2 VAL A 44 -2.569 -5.826 -3.471 1.00 14.41 C ATOM 0 H VAL A 44 -5.690 -5.614 -0.836 1.00 14.25 H new ATOM 0 HA VAL A 44 -4.619 -4.007 -3.048 1.00 24.51 H new ATOM 0 HB VAL A 44 -2.994 -5.008 -1.544 1.00 31.55 H new ATOM 0 HG11 VAL A 44 -2.748 -7.448 -1.298 1.00 33.42 H new ATOM 0 HG12 VAL A 44 -4.303 -6.862 -0.663 1.00 33.42 H new ATOM 0 HG13 VAL A 44 -4.239 -7.686 -2.239 1.00 33.42 H new ATOM 0 HG21 VAL A 44 -1.634 -6.293 -3.162 1.00 14.41 H new ATOM 0 HG22 VAL A 44 -3.058 -6.451 -4.218 1.00 14.41 H new ATOM 0 HG23 VAL A 44 -2.360 -4.845 -3.899 1.00 14.41 H new ATOM 707 N LEU A 45 -5.708 -5.155 -4.935 1.00 62.32 N ATOM 708 CA LEU A 45 -6.420 -5.757 -6.071 1.00 54.01 C ATOM 709 C LEU A 45 -5.544 -6.785 -6.806 1.00 61.03 C ATOM 710 O LEU A 45 -6.052 -7.746 -7.388 1.00 3.14 O ATOM 711 CB LEU A 45 -6.871 -4.658 -7.042 1.00 50.44 C ATOM 712 CG LEU A 45 -7.756 -3.558 -6.427 1.00 61.13 C ATOM 713 CD1 LEU A 45 -8.117 -2.507 -7.472 1.00 43.25 C ATOM 714 CD2 LEU A 45 -9.016 -4.158 -5.801 1.00 11.21 C ATOM 0 H LEU A 45 -5.371 -4.208 -5.109 1.00 62.32 H new ATOM 0 HA LEU A 45 -7.293 -6.282 -5.683 1.00 54.01 H new ATOM 0 HB2 LEU A 45 -5.985 -4.190 -7.472 1.00 50.44 H new ATOM 0 HB3 LEU A 45 -7.416 -5.123 -7.863 1.00 50.44 H new ATOM 0 HG LEU A 45 -7.187 -3.069 -5.636 1.00 61.13 H new ATOM 0 HD11 LEU A 45 -8.742 -1.740 -7.015 1.00 43.25 H new ATOM 0 HD12 LEU A 45 -7.206 -2.050 -7.858 1.00 43.25 H new ATOM 0 HD13 LEU A 45 -8.661 -2.979 -8.290 1.00 43.25 H new ATOM 0 HD21 LEU A 45 -9.625 -3.361 -5.373 1.00 11.21 H new ATOM 0 HD22 LEU A 45 -9.589 -4.681 -6.567 1.00 11.21 H new ATOM 0 HD23 LEU A 45 -8.734 -4.860 -5.016 1.00 11.21 H new ATOM 726 N ASP A 46 -4.228 -6.569 -6.781 1.00 45.32 N ATOM 727 CA ASP A 46 -3.278 -7.494 -7.405 1.00 33.13 C ATOM 728 C ASP A 46 -1.994 -7.617 -6.571 1.00 31.43 C ATOM 729 O ASP A 46 -1.195 -6.683 -6.496 1.00 53.24 O ATOM 730 CB ASP A 46 -2.951 -7.038 -8.830 1.00 63.13 C ATOM 731 CG ASP A 46 -1.976 -7.973 -9.522 1.00 72.51 C ATOM 732 OD1 ASP A 46 -2.342 -9.136 -9.786 1.00 14.33 O ATOM 733 OD2 ASP A 46 -0.831 -7.560 -9.793 1.00 33.34 O ATOM 0 H ASP A 46 -3.794 -5.761 -6.335 1.00 45.32 H new ATOM 0 HA ASP A 46 -3.743 -8.479 -7.449 1.00 33.13 H new ATOM 0 HB2 ASP A 46 -3.871 -6.980 -9.411 1.00 63.13 H new ATOM 0 HB3 ASP A 46 -2.529 -6.033 -8.800 1.00 63.13 H new ATOM 738 N ASP A 47 -1.818 -8.771 -5.934 1.00 64.11 N ATOM 739 CA ASP A 47 -0.625 -9.054 -5.126 1.00 23.21 C ATOM 740 C ASP A 47 0.277 -10.101 -5.808 1.00 70.55 C ATOM 741 O ASP A 47 1.032 -10.815 -5.144 1.00 21.11 O ATOM 742 CB ASP A 47 -1.057 -9.538 -3.733 1.00 13.31 C ATOM 743 CG ASP A 47 -2.001 -10.731 -3.790 1.00 24.22 C ATOM 744 OD1 ASP A 47 -3.177 -10.549 -4.170 1.00 72.22 O ATOM 745 OD2 ASP A 47 -1.578 -11.852 -3.447 1.00 21.41 O ATOM 0 H ASP A 47 -2.492 -9.536 -5.960 1.00 64.11 H new ATOM 0 HA ASP A 47 -0.044 -8.137 -5.027 1.00 23.21 H new ATOM 0 HB2 ASP A 47 -0.172 -9.808 -3.156 1.00 13.31 H new ATOM 0 HB3 ASP A 47 -1.545 -8.719 -3.204 1.00 13.31 H new ATOM 750 N SER A 48 0.211 -10.159 -7.140 1.00 74.13 N ATOM 751 CA SER A 48 0.935 -11.174 -7.927 1.00 1.00 C ATOM 752 C SER A 48 2.456 -11.151 -7.671 1.00 74.50 C ATOM 753 O SER A 48 3.014 -12.103 -7.122 1.00 30.00 O ATOM 754 CB SER A 48 0.660 -10.980 -9.426 1.00 33.25 C ATOM 755 OG SER A 48 1.129 -9.719 -9.881 1.00 71.34 O ATOM 0 H SER A 48 -0.339 -9.512 -7.705 1.00 74.13 H new ATOM 0 HA SER A 48 0.565 -12.147 -7.603 1.00 1.00 H new ATOM 0 HB2 SER A 48 1.144 -11.776 -9.992 1.00 33.25 H new ATOM 0 HB3 SER A 48 -0.411 -11.061 -9.614 1.00 33.25 H new ATOM 0 HG SER A 48 0.403 -9.063 -9.832 1.00 71.34 H new ATOM 761 N ASP A 49 3.126 -10.073 -8.078 1.00 51.33 N ATOM 762 CA ASP A 49 4.574 -9.941 -7.870 1.00 11.50 C ATOM 763 C ASP A 49 4.896 -9.400 -6.468 1.00 50.15 C ATOM 764 O ASP A 49 4.364 -8.371 -6.063 1.00 11.24 O ATOM 765 CB ASP A 49 5.191 -9.014 -8.928 1.00 11.53 C ATOM 766 CG ASP A 49 5.184 -9.628 -10.314 1.00 34.33 C ATOM 767 OD1 ASP A 49 5.933 -10.605 -10.536 1.00 13.43 O ATOM 768 OD2 ASP A 49 4.445 -9.136 -11.190 1.00 42.25 O ATOM 0 H ASP A 49 2.694 -9.280 -8.552 1.00 51.33 H new ATOM 0 HA ASP A 49 5.005 -10.938 -7.964 1.00 11.50 H new ATOM 0 HB2 ASP A 49 4.640 -8.074 -8.948 1.00 11.53 H new ATOM 0 HB3 ASP A 49 6.216 -8.777 -8.645 1.00 11.53 H new ATOM 773 N PRO A 50 5.785 -10.079 -5.713 1.00 12.13 N ATOM 774 CA PRO A 50 6.233 -9.602 -4.389 1.00 25.51 C ATOM 775 C PRO A 50 6.787 -8.165 -4.430 1.00 14.14 C ATOM 776 O PRO A 50 6.796 -7.462 -3.421 1.00 3.34 O ATOM 777 CB PRO A 50 7.342 -10.594 -4.010 1.00 64.02 C ATOM 778 CG PRO A 50 7.030 -11.832 -4.786 1.00 43.04 C ATOM 779 CD PRO A 50 6.404 -11.370 -6.075 1.00 1.40 C ATOM 0 HA PRO A 50 5.411 -9.564 -3.675 1.00 25.51 H new ATOM 0 HB2 PRO A 50 8.327 -10.204 -4.268 1.00 64.02 H new ATOM 0 HB3 PRO A 50 7.347 -10.790 -2.938 1.00 64.02 H new ATOM 0 HG2 PRO A 50 7.934 -12.410 -4.977 1.00 43.04 H new ATOM 0 HG3 PRO A 50 6.349 -12.478 -4.232 1.00 43.04 H new ATOM 0 HD2 PRO A 50 7.148 -11.252 -6.863 1.00 1.40 H new ATOM 0 HD3 PRO A 50 5.664 -12.082 -6.440 1.00 1.40 H new ATOM 787 N ASN A 51 7.250 -7.744 -5.607 1.00 5.24 N ATOM 788 CA ASN A 51 7.788 -6.388 -5.794 1.00 5.42 C ATOM 789 C ASN A 51 6.706 -5.395 -6.260 1.00 53.14 C ATOM 790 O ASN A 51 6.900 -4.183 -6.189 1.00 45.42 O ATOM 791 CB ASN A 51 8.931 -6.413 -6.818 1.00 13.23 C ATOM 792 CG ASN A 51 10.076 -7.315 -6.393 1.00 64.11 C ATOM 793 OD1 ASN A 51 10.366 -7.467 -5.211 1.00 51.31 O ATOM 794 ND2 ASN A 51 10.738 -7.924 -7.354 1.00 32.50 N ATOM 0 H ASN A 51 7.265 -8.320 -6.449 1.00 5.24 H new ATOM 0 HA ASN A 51 8.159 -6.051 -4.826 1.00 5.42 H new ATOM 0 HB2 ASN A 51 8.545 -6.751 -7.780 1.00 13.23 H new ATOM 0 HB3 ASN A 51 9.306 -5.400 -6.963 1.00 13.23 H new ATOM 0 HD21 ASN A 51 11.516 -8.542 -7.125 1.00 32.50 H new ATOM 0 HD22 ASN A 51 10.473 -7.777 -8.328 1.00 32.50 H new ATOM 801 N TRP A 52 5.568 -5.904 -6.739 1.00 10.42 N ATOM 802 CA TRP A 52 4.515 -5.037 -7.291 1.00 14.41 C ATOM 803 C TRP A 52 3.116 -5.412 -6.781 1.00 3.20 C ATOM 804 O TRP A 52 2.437 -6.266 -7.354 1.00 74.41 O ATOM 805 CB TRP A 52 4.538 -5.067 -8.828 1.00 10.20 C ATOM 806 CG TRP A 52 5.793 -4.494 -9.418 1.00 11.41 C ATOM 807 CD1 TRP A 52 6.779 -5.175 -10.072 1.00 34.22 C ATOM 808 CD2 TRP A 52 6.204 -3.121 -9.391 1.00 62.31 C ATOM 809 NE1 TRP A 52 7.767 -4.308 -10.468 1.00 15.33 N ATOM 810 CE2 TRP A 52 7.438 -3.042 -10.057 1.00 23.32 C ATOM 811 CE3 TRP A 52 5.639 -1.951 -8.872 1.00 52.41 C ATOM 812 CZ2 TRP A 52 8.122 -1.839 -10.215 1.00 44.31 C ATOM 813 CZ3 TRP A 52 6.320 -0.758 -9.028 1.00 13.33 C ATOM 814 CH2 TRP A 52 7.549 -0.710 -9.695 1.00 51.30 C ATOM 0 H TRP A 52 5.350 -6.900 -6.758 1.00 10.42 H new ATOM 0 HA TRP A 52 4.729 -4.026 -6.944 1.00 14.41 H new ATOM 0 HB2 TRP A 52 4.425 -6.097 -9.165 1.00 10.20 H new ATOM 0 HB3 TRP A 52 3.681 -4.511 -9.207 1.00 10.20 H new ATOM 0 HD1 TRP A 52 6.781 -6.240 -10.252 1.00 34.22 H new ATOM 0 HE1 TRP A 52 8.609 -4.564 -10.984 1.00 15.33 H new ATOM 0 HE3 TRP A 52 4.689 -1.979 -8.359 1.00 52.41 H new ATOM 0 HZ2 TRP A 52 9.071 -1.799 -10.729 1.00 44.31 H new ATOM 0 HZ3 TRP A 52 5.896 0.152 -8.629 1.00 13.33 H new ATOM 0 HH2 TRP A 52 8.056 0.238 -9.802 1.00 51.30 H new ATOM 825 N TRP A 53 2.702 -4.771 -5.690 1.00 23.33 N ATOM 826 CA TRP A 53 1.344 -4.917 -5.153 1.00 12.41 C ATOM 827 C TRP A 53 0.499 -3.674 -5.472 1.00 14.31 C ATOM 828 O TRP A 53 0.848 -2.557 -5.073 1.00 61.00 O ATOM 829 CB TRP A 53 1.388 -5.131 -3.631 1.00 42.32 C ATOM 830 CG TRP A 53 1.886 -6.486 -3.213 1.00 40.12 C ATOM 831 CD1 TRP A 53 2.918 -7.191 -3.760 1.00 2.15 C ATOM 832 CD2 TRP A 53 1.375 -7.296 -2.147 1.00 60.35 C ATOM 833 NE1 TRP A 53 3.067 -8.390 -3.111 1.00 64.30 N ATOM 834 CE2 TRP A 53 2.135 -8.478 -2.118 1.00 21.04 C ATOM 835 CE3 TRP A 53 0.340 -7.137 -1.218 1.00 23.43 C ATOM 836 CZ2 TRP A 53 1.902 -9.495 -1.197 1.00 1.44 C ATOM 837 CZ3 TRP A 53 0.107 -8.147 -0.302 1.00 60.43 C ATOM 838 CH2 TRP A 53 0.884 -9.314 -0.300 1.00 32.44 C ATOM 0 H TRP A 53 3.293 -4.137 -5.152 1.00 23.33 H new ATOM 0 HA TRP A 53 0.887 -5.787 -5.624 1.00 12.41 H new ATOM 0 HB2 TRP A 53 2.028 -4.368 -3.187 1.00 42.32 H new ATOM 0 HB3 TRP A 53 0.387 -4.983 -3.226 1.00 42.32 H new ATOM 0 HD1 TRP A 53 3.529 -6.854 -4.584 1.00 2.15 H new ATOM 0 HE1 TRP A 53 3.763 -9.102 -3.335 1.00 64.30 H new ATOM 0 HE3 TRP A 53 -0.265 -6.243 -1.216 1.00 23.43 H new ATOM 0 HZ2 TRP A 53 2.502 -10.393 -1.190 1.00 1.44 H new ATOM 0 HZ3 TRP A 53 -0.686 -8.035 0.423 1.00 60.43 H new ATOM 0 HH2 TRP A 53 0.675 -10.087 0.425 1.00 32.44 H new ATOM 849 N LYS A 54 -0.606 -3.867 -6.193 1.00 23.12 N ATOM 850 CA LYS A 54 -1.509 -2.759 -6.540 1.00 51.30 C ATOM 851 C LYS A 54 -2.802 -2.819 -5.719 1.00 14.04 C ATOM 852 O LYS A 54 -3.511 -3.829 -5.725 1.00 31.22 O ATOM 853 CB LYS A 54 -1.844 -2.773 -8.040 1.00 5.43 C ATOM 854 CG LYS A 54 -2.672 -1.567 -8.482 1.00 3.34 C ATOM 855 CD LYS A 54 -2.770 -1.460 -10.003 1.00 10.23 C ATOM 856 CE LYS A 54 -3.505 -0.196 -10.438 1.00 34.04 C ATOM 857 NZ LYS A 54 -3.495 -0.022 -11.915 1.00 23.02 N ATOM 0 H LYS A 54 -0.900 -4.776 -6.549 1.00 23.12 H new ATOM 0 HA LYS A 54 -0.990 -1.830 -6.303 1.00 51.30 H new ATOM 0 HB2 LYS A 54 -0.917 -2.799 -8.613 1.00 5.43 H new ATOM 0 HB3 LYS A 54 -2.390 -3.687 -8.276 1.00 5.43 H new ATOM 0 HG2 LYS A 54 -3.674 -1.642 -8.060 1.00 3.34 H new ATOM 0 HG3 LYS A 54 -2.225 -0.656 -8.083 1.00 3.34 H new ATOM 0 HD2 LYS A 54 -1.768 -1.463 -10.432 1.00 10.23 H new ATOM 0 HD3 LYS A 54 -3.288 -2.335 -10.396 1.00 10.23 H new ATOM 0 HE2 LYS A 54 -4.536 -0.237 -10.085 1.00 34.04 H new ATOM 0 HE3 LYS A 54 -3.042 0.672 -9.968 1.00 34.04 H new ATOM 0 HZ1 LYS A 54 -4.005 0.849 -12.165 1.00 23.02 H new ATOM 0 HZ2 LYS A 54 -2.513 0.044 -12.250 1.00 23.02 H new ATOM 0 HZ3 LYS A 54 -3.960 -0.837 -12.364 1.00 23.02 H new ATOM 871 N GLY A 55 -3.119 -1.728 -5.030 1.00 73.05 N ATOM 872 CA GLY A 55 -4.293 -1.705 -4.169 1.00 70.21 C ATOM 873 C GLY A 55 -5.043 -0.378 -4.186 1.00 73.31 C ATOM 874 O GLY A 55 -4.677 0.556 -4.906 1.00 11.13 O ATOM 0 H GLY A 55 -2.586 -0.859 -5.051 1.00 73.05 H new ATOM 0 HA2 GLY A 55 -4.973 -2.500 -4.476 1.00 70.21 H new ATOM 0 HA3 GLY A 55 -3.986 -1.925 -3.146 1.00 70.21 H new ATOM 878 N GLU A 56 -6.102 -0.301 -3.385 1.00 64.21 N ATOM 879 CA GLU A 56 -6.918 0.909 -3.276 1.00 65.21 C ATOM 880 C GLU A 56 -7.295 1.175 -1.811 1.00 13.33 C ATOM 881 O GLU A 56 -7.643 0.251 -1.069 1.00 33.44 O ATOM 882 CB GLU A 56 -8.187 0.772 -4.130 1.00 51.02 C ATOM 883 CG GLU A 56 -9.046 2.034 -4.165 1.00 63.50 C ATOM 884 CD GLU A 56 -10.301 1.875 -5.009 1.00 61.21 C ATOM 885 OE1 GLU A 56 -10.179 1.672 -6.235 1.00 51.15 O ATOM 886 OE2 GLU A 56 -11.417 1.956 -4.447 1.00 0.02 O ATOM 0 H GLU A 56 -6.419 -1.070 -2.795 1.00 64.21 H new ATOM 0 HA GLU A 56 -6.334 1.753 -3.643 1.00 65.21 H new ATOM 0 HB2 GLU A 56 -7.901 0.510 -5.149 1.00 51.02 H new ATOM 0 HB3 GLU A 56 -8.786 -0.053 -3.744 1.00 51.02 H new ATOM 0 HG2 GLU A 56 -9.331 2.302 -3.147 1.00 63.50 H new ATOM 0 HG3 GLU A 56 -8.453 2.860 -4.558 1.00 63.50 H new ATOM 893 N THR A 57 -7.202 2.433 -1.387 1.00 52.31 N ATOM 894 CA THR A 57 -7.542 2.817 -0.005 1.00 22.13 C ATOM 895 C THR A 57 -8.322 4.131 0.026 1.00 24.41 C ATOM 896 O THR A 57 -8.352 4.875 -0.958 1.00 0.25 O ATOM 897 CB THR A 57 -6.284 3.005 0.883 1.00 2.34 C ATOM 898 OG1 THR A 57 -5.543 4.157 0.452 1.00 50.25 O ATOM 899 CG2 THR A 57 -5.382 1.773 0.856 1.00 2.23 C ATOM 0 H THR A 57 -6.895 3.208 -1.974 1.00 52.31 H new ATOM 0 HA THR A 57 -8.146 1.998 0.387 1.00 22.13 H new ATOM 0 HB THR A 57 -6.625 3.150 1.908 1.00 2.34 H new ATOM 0 HG1 THR A 57 -5.633 4.260 -0.518 1.00 50.25 H new ATOM 0 HG21 THR A 57 -4.512 1.945 1.490 1.00 2.23 H new ATOM 0 HG22 THR A 57 -5.935 0.909 1.225 1.00 2.23 H new ATOM 0 HG23 THR A 57 -5.054 1.585 -0.166 1.00 2.23 H new ATOM 907 N HIS A 58 -8.939 4.419 1.168 1.00 43.34 N ATOM 908 CA HIS A 58 -9.624 5.696 1.390 1.00 31.05 C ATOM 909 C HIS A 58 -8.649 6.882 1.269 1.00 32.02 C ATOM 910 O HIS A 58 -9.046 7.991 0.909 1.00 4.30 O ATOM 911 CB HIS A 58 -10.283 5.696 2.776 1.00 4.23 C ATOM 912 CG HIS A 58 -10.907 7.003 3.166 1.00 2.14 C ATOM 913 ND1 HIS A 58 -10.327 7.874 4.059 1.00 61.53 N ATOM 914 CD2 HIS A 58 -12.069 7.586 2.785 1.00 24.24 C ATOM 915 CE1 HIS A 58 -11.097 8.928 4.214 1.00 72.24 C ATOM 916 NE2 HIS A 58 -12.161 8.782 3.454 1.00 41.11 N ATOM 0 H HIS A 58 -8.981 3.781 1.963 1.00 43.34 H new ATOM 0 HA HIS A 58 -10.389 5.811 0.622 1.00 31.05 H new ATOM 0 HB2 HIS A 58 -11.048 4.920 2.801 1.00 4.23 H new ATOM 0 HB3 HIS A 58 -9.534 5.428 3.521 1.00 4.23 H new ATOM 0 HD1 HIS A 58 -9.434 7.725 4.530 1.00 61.53 H new ATOM 0 HD2 HIS A 58 -12.788 7.185 2.086 1.00 24.24 H new ATOM 0 HE1 HIS A 58 -10.891 9.771 4.857 1.00 72.24 H new ATOM 925 N GLN A 59 -7.375 6.632 1.569 1.00 63.14 N ATOM 926 CA GLN A 59 -6.346 7.679 1.536 1.00 71.32 C ATOM 927 C GLN A 59 -5.806 7.909 0.110 1.00 62.13 C ATOM 928 O GLN A 59 -5.209 8.950 -0.178 1.00 31.44 O ATOM 929 CB GLN A 59 -5.190 7.308 2.478 1.00 43.35 C ATOM 930 CG GLN A 59 -5.638 6.933 3.890 1.00 62.35 C ATOM 931 CD GLN A 59 -6.471 8.017 4.563 1.00 54.20 C ATOM 932 OE1 GLN A 59 -7.690 8.046 4.440 1.00 15.31 O ATOM 933 NE2 GLN A 59 -5.827 8.906 5.290 1.00 31.13 N ATOM 0 H GLN A 59 -7.027 5.712 1.839 1.00 63.14 H new ATOM 0 HA GLN A 59 -6.809 8.608 1.870 1.00 71.32 H new ATOM 0 HB2 GLN A 59 -4.638 6.472 2.048 1.00 43.35 H new ATOM 0 HB3 GLN A 59 -4.499 8.149 2.538 1.00 43.35 H new ATOM 0 HG2 GLN A 59 -6.219 6.012 3.847 1.00 62.35 H new ATOM 0 HG3 GLN A 59 -4.759 6.728 4.501 1.00 62.35 H new ATOM 0 HE21 GLN A 59 -4.812 8.857 5.374 1.00 31.13 H new ATOM 0 HE22 GLN A 59 -6.343 9.644 5.769 1.00 31.13 H new ATOM 942 N GLY A 60 -6.010 6.933 -0.778 1.00 41.22 N ATOM 943 CA GLY A 60 -5.555 7.073 -2.161 1.00 61.32 C ATOM 944 C GLY A 60 -5.441 5.745 -2.915 1.00 64.35 C ATOM 945 O GLY A 60 -5.711 4.675 -2.364 1.00 62.21 O ATOM 0 H GLY A 60 -6.479 6.052 -0.568 1.00 41.22 H new ATOM 0 HA2 GLY A 60 -6.246 7.725 -2.696 1.00 61.32 H new ATOM 0 HA3 GLY A 60 -4.583 7.566 -2.165 1.00 61.32 H new ATOM 949 N ILE A 61 -5.034 5.821 -4.188 1.00 2.02 N ATOM 950 CA ILE A 61 -4.865 4.633 -5.040 1.00 52.04 C ATOM 951 C ILE A 61 -3.416 4.542 -5.562 1.00 24.05 C ATOM 952 O ILE A 61 -2.782 5.570 -5.815 1.00 32.11 O ATOM 953 CB ILE A 61 -5.828 4.657 -6.267 1.00 63.45 C ATOM 954 CG1 ILE A 61 -7.293 4.894 -5.842 1.00 30.42 C ATOM 955 CG2 ILE A 61 -5.711 3.360 -7.069 1.00 73.42 C ATOM 956 CD1 ILE A 61 -7.632 6.343 -5.540 1.00 42.31 C ATOM 0 H ILE A 61 -4.813 6.700 -4.656 1.00 2.02 H new ATOM 0 HA ILE A 61 -5.100 3.767 -4.421 1.00 52.04 H new ATOM 0 HB ILE A 61 -5.528 5.492 -6.899 1.00 63.45 H new ATOM 0 HG12 ILE A 61 -7.951 4.537 -6.635 1.00 30.42 H new ATOM 0 HG13 ILE A 61 -7.504 4.292 -4.958 1.00 30.42 H new ATOM 0 HG21 ILE A 61 -6.390 3.396 -7.921 1.00 73.42 H new ATOM 0 HG22 ILE A 61 -4.688 3.244 -7.426 1.00 73.42 H new ATOM 0 HG23 ILE A 61 -5.971 2.514 -6.433 1.00 73.42 H new ATOM 0 HD11 ILE A 61 -8.680 6.419 -5.250 1.00 42.31 H new ATOM 0 HD12 ILE A 61 -7.003 6.702 -4.725 1.00 42.31 H new ATOM 0 HD13 ILE A 61 -7.457 6.950 -6.428 1.00 42.31 H new ATOM 968 N GLY A 62 -2.886 3.323 -5.714 1.00 51.41 N ATOM 969 CA GLY A 62 -1.543 3.164 -6.275 1.00 41.15 C ATOM 970 C GLY A 62 -0.846 1.855 -5.894 1.00 2.32 C ATOM 971 O GLY A 62 -1.494 0.866 -5.546 1.00 64.23 O ATOM 0 H GLY A 62 -3.354 2.452 -5.463 1.00 51.41 H new ATOM 0 HA2 GLY A 62 -1.608 3.224 -7.361 1.00 41.15 H new ATOM 0 HA3 GLY A 62 -0.925 3.999 -5.946 1.00 41.15 H new ATOM 975 N LEU A 63 0.486 1.864 -5.982 1.00 74.11 N ATOM 976 CA LEU A 63 1.324 0.694 -5.675 1.00 50.31 C ATOM 977 C LEU A 63 2.055 0.879 -4.331 1.00 35.21 C ATOM 978 O LEU A 63 2.218 2.001 -3.856 1.00 45.41 O ATOM 979 CB LEU A 63 2.368 0.496 -6.790 1.00 54.14 C ATOM 980 CG LEU A 63 1.809 0.388 -8.221 1.00 22.21 C ATOM 981 CD1 LEU A 63 2.936 0.454 -9.248 1.00 22.41 C ATOM 982 CD2 LEU A 63 1.010 -0.897 -8.393 1.00 74.42 C ATOM 0 H LEU A 63 1.019 2.685 -6.269 1.00 74.11 H new ATOM 0 HA LEU A 63 0.676 -0.180 -5.608 1.00 50.31 H new ATOM 0 HB2 LEU A 63 3.070 1.329 -6.756 1.00 54.14 H new ATOM 0 HB3 LEU A 63 2.936 -0.408 -6.573 1.00 54.14 H new ATOM 0 HG LEU A 63 1.141 1.233 -8.387 1.00 22.21 H new ATOM 0 HD11 LEU A 63 2.519 0.376 -10.252 1.00 22.41 H new ATOM 0 HD12 LEU A 63 3.465 1.402 -9.148 1.00 22.41 H new ATOM 0 HD13 LEU A 63 3.631 -0.369 -9.079 1.00 22.41 H new ATOM 0 HD21 LEU A 63 0.625 -0.952 -9.411 1.00 74.42 H new ATOM 0 HD22 LEU A 63 1.655 -1.755 -8.202 1.00 74.42 H new ATOM 0 HD23 LEU A 63 0.178 -0.905 -7.689 1.00 74.42 H new ATOM 994 N PHE A 64 2.503 -0.219 -3.725 1.00 24.35 N ATOM 995 CA PHE A 64 3.310 -0.131 -2.496 1.00 22.53 C ATOM 996 C PHE A 64 4.423 -1.203 -2.449 1.00 11.11 C ATOM 997 O PHE A 64 4.361 -2.157 -1.672 1.00 2.13 O ATOM 998 CB PHE A 64 2.410 -0.183 -1.241 1.00 0.23 C ATOM 999 CG PHE A 64 1.365 -1.278 -1.234 1.00 72.34 C ATOM 1000 CD1 PHE A 64 0.174 -1.126 -1.935 1.00 0.14 C ATOM 1001 CD2 PHE A 64 1.558 -2.445 -0.503 1.00 23.14 C ATOM 1002 CE1 PHE A 64 -0.796 -2.111 -1.908 1.00 55.11 C ATOM 1003 CE2 PHE A 64 0.591 -3.433 -0.477 1.00 12.25 C ATOM 1004 CZ PHE A 64 -0.584 -3.265 -1.180 1.00 34.53 C ATOM 0 H PHE A 64 2.328 -1.169 -4.053 1.00 24.35 H new ATOM 0 HA PHE A 64 3.814 0.835 -2.506 1.00 22.53 H new ATOM 0 HB2 PHE A 64 3.046 -0.306 -0.364 1.00 0.23 H new ATOM 0 HB3 PHE A 64 1.905 0.778 -1.137 1.00 0.23 H new ATOM 0 HD1 PHE A 64 0.004 -0.227 -2.508 1.00 0.14 H new ATOM 0 HD2 PHE A 64 2.475 -2.581 0.051 1.00 23.14 H new ATOM 0 HE1 PHE A 64 -1.718 -1.978 -2.455 1.00 55.11 H new ATOM 0 HE2 PHE A 64 0.755 -4.335 0.093 1.00 12.25 H new ATOM 0 HZ PHE A 64 -1.339 -4.037 -1.161 1.00 34.53 H new ATOM 1014 N PRO A 65 5.472 -1.042 -3.292 1.00 12.42 N ATOM 1015 CA PRO A 65 6.607 -1.991 -3.368 1.00 64.01 C ATOM 1016 C PRO A 65 7.571 -1.907 -2.165 1.00 41.41 C ATOM 1017 O PRO A 65 8.279 -2.869 -1.861 1.00 35.35 O ATOM 1018 CB PRO A 65 7.344 -1.575 -4.662 1.00 74.34 C ATOM 1019 CG PRO A 65 6.436 -0.609 -5.353 1.00 14.12 C ATOM 1020 CD PRO A 65 5.632 0.051 -4.267 1.00 31.21 C ATOM 0 HA PRO A 65 6.249 -3.021 -3.361 1.00 64.01 H new ATOM 0 HB2 PRO A 65 8.305 -1.114 -4.434 1.00 74.34 H new ATOM 0 HB3 PRO A 65 7.547 -2.441 -5.292 1.00 74.34 H new ATOM 0 HG2 PRO A 65 7.007 0.127 -5.919 1.00 14.12 H new ATOM 0 HG3 PRO A 65 5.787 -1.122 -6.062 1.00 14.12 H new ATOM 0 HD2 PRO A 65 6.153 0.907 -3.838 1.00 31.21 H new ATOM 0 HD3 PRO A 65 4.672 0.413 -4.634 1.00 31.21 H new ATOM 1028 N SER A 66 7.605 -0.754 -1.490 1.00 10.04 N ATOM 1029 CA SER A 66 8.540 -0.527 -0.364 1.00 50.02 C ATOM 1030 C SER A 66 8.367 -1.529 0.790 1.00 3.34 C ATOM 1031 O SER A 66 9.238 -1.619 1.658 1.00 12.02 O ATOM 1032 CB SER A 66 8.444 0.911 0.166 1.00 23.40 C ATOM 1033 OG SER A 66 9.026 1.835 -0.737 1.00 21.24 O ATOM 0 H SER A 66 7.000 0.041 -1.697 1.00 10.04 H new ATOM 0 HA SER A 66 9.535 -0.690 -0.778 1.00 50.02 H new ATOM 0 HB2 SER A 66 7.398 1.171 0.331 1.00 23.40 H new ATOM 0 HB3 SER A 66 8.945 0.979 1.132 1.00 23.40 H new ATOM 0 HG SER A 66 8.948 2.742 -0.373 1.00 21.24 H new ATOM 1039 N ASN A 67 7.234 -2.247 0.822 1.00 5.13 N ATOM 1040 CA ASN A 67 7.021 -3.339 1.794 1.00 60.22 C ATOM 1041 C ASN A 67 6.765 -2.800 3.223 1.00 30.22 C ATOM 1042 O ASN A 67 7.199 -3.386 4.213 1.00 70.22 O ATOM 1043 CB ASN A 67 8.235 -4.297 1.758 1.00 74.13 C ATOM 1044 CG ASN A 67 8.048 -5.565 2.577 1.00 45.42 C ATOM 1045 OD1 ASN A 67 8.520 -5.553 3.806 1.00 30.40 O flip ATOM 1046 ND2 ASN A 67 7.509 -6.556 2.096 1.00 1.14 N flip ATOM 0 H ASN A 67 6.450 -2.094 0.188 1.00 5.13 H new ATOM 0 HA ASN A 67 6.124 -3.889 1.510 1.00 60.22 H new ATOM 0 HB2 ASN A 67 8.437 -4.572 0.723 1.00 74.13 H new ATOM 0 HB3 ASN A 67 9.114 -3.767 2.124 1.00 74.13 H new ATOM 0 HD21 ASN A 67 7.154 -6.530 1.140 1.00 1.14 H new ATOM 0 HD22 ASN A 67 7.415 -7.406 2.652 1.00 1.14 H new ATOM 1053 N PHE A 68 6.021 -1.696 3.331 1.00 23.21 N ATOM 1054 CA PHE A 68 5.694 -1.111 4.645 1.00 32.12 C ATOM 1055 C PHE A 68 4.359 -1.640 5.210 1.00 42.41 C ATOM 1056 O PHE A 68 3.763 -1.037 6.108 1.00 41.21 O ATOM 1057 CB PHE A 68 5.676 0.424 4.552 1.00 42.42 C ATOM 1058 CG PHE A 68 5.080 0.964 3.279 1.00 33.43 C ATOM 1059 CD1 PHE A 68 3.712 0.951 3.066 1.00 71.12 C ATOM 1060 CD2 PHE A 68 5.897 1.490 2.291 1.00 14.43 C ATOM 1061 CE1 PHE A 68 3.177 1.449 1.894 1.00 62.14 C ATOM 1062 CE2 PHE A 68 5.364 1.988 1.120 1.00 45.35 C ATOM 1063 CZ PHE A 68 4.003 1.967 0.921 1.00 22.43 C ATOM 0 H PHE A 68 5.634 -1.189 2.535 1.00 23.21 H new ATOM 0 HA PHE A 68 6.474 -1.419 5.342 1.00 32.12 H new ATOM 0 HB2 PHE A 68 5.115 0.820 5.398 1.00 42.42 H new ATOM 0 HB3 PHE A 68 6.697 0.793 4.646 1.00 42.42 H new ATOM 0 HD1 PHE A 68 3.057 0.547 3.824 1.00 71.12 H new ATOM 0 HD2 PHE A 68 6.966 1.510 2.440 1.00 14.43 H new ATOM 0 HE1 PHE A 68 2.108 1.432 1.740 1.00 62.14 H new ATOM 0 HE2 PHE A 68 6.015 2.394 0.360 1.00 45.35 H new ATOM 0 HZ PHE A 68 3.583 2.355 0.005 1.00 22.43 H new ATOM 1073 N VAL A 69 3.914 -2.787 4.705 1.00 24.33 N ATOM 1074 CA VAL A 69 2.660 -3.407 5.155 1.00 73.13 C ATOM 1075 C VAL A 69 2.886 -4.843 5.657 1.00 43.21 C ATOM 1076 O VAL A 69 3.978 -5.398 5.515 1.00 60.44 O ATOM 1077 CB VAL A 69 1.601 -3.433 4.021 1.00 13.13 C ATOM 1078 CG1 VAL A 69 1.250 -2.015 3.566 1.00 53.33 C ATOM 1079 CG2 VAL A 69 2.083 -4.287 2.843 1.00 0.01 C ATOM 0 H VAL A 69 4.402 -3.312 3.980 1.00 24.33 H new ATOM 0 HA VAL A 69 2.292 -2.795 5.978 1.00 73.13 H new ATOM 0 HB VAL A 69 0.694 -3.890 4.417 1.00 13.13 H new ATOM 0 HG11 VAL A 69 0.506 -2.062 2.771 1.00 53.33 H new ATOM 0 HG12 VAL A 69 0.847 -1.452 4.408 1.00 53.33 H new ATOM 0 HG13 VAL A 69 2.147 -1.519 3.195 1.00 53.33 H new ATOM 0 HG21 VAL A 69 1.324 -4.290 2.061 1.00 0.01 H new ATOM 0 HG22 VAL A 69 3.010 -3.871 2.447 1.00 0.01 H new ATOM 0 HG23 VAL A 69 2.259 -5.308 3.182 1.00 0.01 H new ATOM 1089 N THR A 70 1.847 -5.434 6.243 1.00 61.13 N ATOM 1090 CA THR A 70 1.892 -6.831 6.701 1.00 4.20 C ATOM 1091 C THR A 70 0.489 -7.450 6.742 1.00 53.01 C ATOM 1092 O THR A 70 -0.518 -6.740 6.674 1.00 55.11 O ATOM 1093 CB THR A 70 2.542 -6.965 8.100 1.00 41.02 C ATOM 1094 OG1 THR A 70 2.614 -8.352 8.477 1.00 11.00 O ATOM 1095 CG2 THR A 70 1.760 -6.186 9.153 1.00 34.11 C ATOM 0 H THR A 70 0.956 -4.968 6.415 1.00 61.13 H new ATOM 0 HA THR A 70 2.506 -7.368 5.978 1.00 4.20 H new ATOM 0 HB THR A 70 3.547 -6.547 8.044 1.00 41.02 H new ATOM 0 HG1 THR A 70 3.028 -8.429 9.362 1.00 11.00 H new ATOM 0 HG21 THR A 70 2.243 -6.301 10.124 1.00 34.11 H new ATOM 0 HG22 THR A 70 1.737 -5.130 8.882 1.00 34.11 H new ATOM 0 HG23 THR A 70 0.741 -6.569 9.207 1.00 34.11 H new ATOM 1103 N ALA A 71 0.427 -8.770 6.864 1.00 13.52 N ATOM 1104 CA ALA A 71 -0.848 -9.494 6.830 1.00 13.23 C ATOM 1105 C ALA A 71 -1.425 -9.728 8.236 1.00 74.31 C ATOM 1106 O ALA A 71 -0.797 -10.368 9.082 1.00 73.13 O ATOM 1107 CB ALA A 71 -0.670 -10.828 6.110 1.00 72.21 C ATOM 0 H ALA A 71 1.245 -9.367 6.988 1.00 13.52 H new ATOM 0 HA ALA A 71 -1.560 -8.873 6.287 1.00 13.23 H new ATOM 0 HB1 ALA A 71 -1.621 -11.360 6.089 1.00 72.21 H new ATOM 0 HB2 ALA A 71 -0.332 -10.648 5.089 1.00 72.21 H new ATOM 0 HB3 ALA A 71 0.071 -11.430 6.637 1.00 72.21 H new ATOM 1113 N ASP A 72 -2.617 -9.185 8.481 1.00 51.00 N ATOM 1114 CA ASP A 72 -3.372 -9.457 9.715 1.00 11.10 C ATOM 1115 C ASP A 72 -4.431 -10.554 9.484 1.00 3.20 C ATOM 1116 O ASP A 72 -5.450 -10.270 8.818 1.00 36.17 O ATOM 1117 CB ASP A 72 -4.045 -8.171 10.230 1.00 22.13 C ATOM 1118 CG ASP A 72 -3.084 -7.280 10.998 1.00 1.22 C ATOM 1119 OD1 ASP A 72 -2.211 -6.647 10.371 1.00 2.33 O ATOM 1120 OD2 ASP A 72 -3.198 -7.209 12.240 1.00 64.33 O ATOM 1121 OXT ASP A 72 -4.250 -11.691 9.982 1.00 36.17 O ATOM 0 H ASP A 72 -3.088 -8.548 7.838 1.00 51.00 H new ATOM 0 HA ASP A 72 -2.668 -9.812 10.468 1.00 11.10 H new ATOM 0 HB2 ASP A 72 -4.455 -7.616 9.386 1.00 22.13 H new ATOM 0 HB3 ASP A 72 -4.883 -8.436 10.874 1.00 22.13 H new TER 1126 ASP A 72