USER MOD reduce.3.24.130724 H: found=0, std=0, add=514, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 517 hydrogens (19 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 NoAdj-H: A 31 HIS HD1 : A 31 HIS ND1 : A 801 ZNZN :(H bumps) USER MOD NoAdj-H: C 4 MLY H2 : C 4 MLY N : C 3 THR C :(H bumps) USER MOD NoAdj-H: C 4 MLY H : C 4 MLY N : C 3 THR C :(H bumps) USER MOD Set 1.1: A 47 THR OG1 : rot 82:sc= 0.427 USER MOD Set 1.2: A 52 GLN : amide:sc= 1.24 K(o=1.7,f=0.98) USER MOD Set 2.1: A 28 CYS SG : rot -100:sc= -0.939! USER MOD Set 2.2: A 30 GLN : amide:sc= -2.12 K(o=-2.8,f=-6.4) USER MOD Set 2.3: A 46 TYR OH : rot -163:sc= 0.288 USER MOD Single : A 2 TYR OH : rot 180:sc= 0 USER MOD Single : A -1 MET CE :methyl -168:sc=-0.00519 (180deg=-0.194) USER MOD Single : A -2 HIS : no HD1:sc= -0.0596 X(o=-0.06,f=-0.39) USER MOD Single : A -3 GLY N :NH3+ 147:sc= 0.00495 (180deg=0) USER MOD Single : A 14 GLN : amide:sc= 0.11 K(o=0.11,f=-0.68) USER MOD Single : A 17 ASN : amide:sc=-0.00851 X(o=-0.0085,f=-0.19) USER MOD Single : A 20 MET CE :methyl 138:sc= -2.72! (180deg=-7.75!) USER MOD Single : A 22 GLN : amide:sc= -0.598! C(o=-0.6!,f=-1.8!) USER MOD Single : A 27 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 35 MET CE :methyl -148:sc= -0.42 (180deg=-1.18) USER MOD Single : A 41 ASN : amide:sc= 0 X(o=0,f=-0.063) USER MOD Single : A 45 LYS NZ :NH3+ -137:sc= 1.24 (180deg=0.485) USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : C 1 ALA N :NH3+ 176:sc= 0.714 (180deg=0.707) USER MOD Single : C 3 THR OG1 : rot 180:sc= 0 USER MOD Single : C 5 GLN : amide:sc= -0.428 X(o=-0.43,f=-0.33) USER MOD Single : C 6 THR OG1 : rot -31:sc= 1.15 USER MOD Single : C 9 LYS NZ :NH3+ 171:sc= 0.954 (180deg=0.89) USER MOD Single : C 10 SER OG : rot 180:sc= 0 USER MOD Single : C 11 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -3 13.619 -2.451 6.142 1.00 0.00 N ATOM 2 CA GLY A -3 12.959 -3.648 5.555 1.00 0.00 C ATOM 3 C GLY A -3 13.822 -4.322 4.492 1.00 0.00 C ATOM 4 O GLY A -3 14.514 -3.646 3.733 1.00 0.00 O ATOM 0 H1 GLY A -3 12.898 -1.743 6.389 1.00 0.00 H new ATOM 0 H2 GLY A -3 14.141 -2.727 6.998 1.00 0.00 H new ATOM 0 H3 GLY A -3 14.280 -2.044 5.450 1.00 0.00 H new ATOM 0 HA2 GLY A -3 12.738 -4.363 6.347 1.00 0.00 H new ATOM 0 HA3 GLY A -3 12.006 -3.355 5.114 1.00 0.00 H new ATOM 10 N HIS A -2 13.778 -5.658 4.407 1.00 0.00 N ATOM 11 CA HIS A -2 14.665 -6.474 3.548 1.00 0.00 C ATOM 12 C HIS A -2 14.437 -6.311 2.030 1.00 0.00 C ATOM 13 O HIS A -2 15.340 -6.602 1.241 1.00 0.00 O ATOM 14 CB HIS A -2 14.520 -7.953 3.951 1.00 0.00 C ATOM 15 CG HIS A -2 13.130 -8.523 3.766 1.00 0.00 C ATOM 16 ND1 HIS A -2 12.541 -8.858 2.542 1.00 0.00 N ATOM 17 CD2 HIS A -2 12.242 -8.793 4.766 1.00 0.00 C ATOM 18 CE1 HIS A -2 11.311 -9.315 2.832 1.00 0.00 C ATOM 19 NE2 HIS A -2 11.105 -9.288 4.161 1.00 0.00 N ATOM 0 H HIS A -2 13.114 -6.219 4.941 1.00 0.00 H new ATOM 0 HA HIS A -2 15.678 -6.108 3.718 1.00 0.00 H new ATOM 0 HB2 HIS A -2 15.223 -8.546 3.366 1.00 0.00 H new ATOM 0 HB3 HIS A -2 14.806 -8.061 4.997 1.00 0.00 H new ATOM 0 HD2 HIS A -2 12.399 -8.648 5.825 1.00 0.00 H new ATOM 0 HE1 HIS A -2 10.591 -9.655 2.102 1.00 0.00 H new ATOM 0 HE2 HIS A -2 10.254 -9.583 4.640 1.00 0.00 H new ATOM 27 N MET A -1 13.261 -5.824 1.617 1.00 0.00 N ATOM 28 CA MET A -1 12.870 -5.663 0.210 1.00 0.00 C ATOM 29 C MET A -1 13.702 -4.644 -0.575 1.00 0.00 C ATOM 30 O MET A -1 13.891 -4.819 -1.778 1.00 0.00 O ATOM 31 CB MET A -1 11.380 -5.268 0.119 1.00 0.00 C ATOM 32 CG MET A -1 10.867 -4.196 1.100 1.00 0.00 C ATOM 33 SD MET A -1 10.582 -4.705 2.826 1.00 0.00 S ATOM 34 CE MET A -1 9.209 -5.876 2.624 1.00 0.00 C ATOM 0 H MET A -1 12.536 -5.523 2.268 1.00 0.00 H new ATOM 0 HA MET A -1 13.056 -6.633 -0.252 1.00 0.00 H new ATOM 0 HB2 MET A -1 11.186 -4.917 -0.895 1.00 0.00 H new ATOM 0 HB3 MET A -1 10.784 -6.169 0.263 1.00 0.00 H new ATOM 0 HG2 MET A -1 11.583 -3.374 1.105 1.00 0.00 H new ATOM 0 HG3 MET A -1 9.931 -3.800 0.707 1.00 0.00 H new ATOM 0 HE1 MET A -1 8.783 -6.109 3.600 1.00 0.00 H new ATOM 0 HE2 MET A -1 8.442 -5.431 1.990 1.00 0.00 H new ATOM 0 HE3 MET A -1 9.577 -6.791 2.160 1.00 0.00 H new ATOM 44 N ASP A 0 14.153 -3.566 0.074 1.00 0.00 N ATOM 45 CA ASP A 0 14.780 -2.394 -0.572 1.00 0.00 C ATOM 46 C ASP A 0 14.008 -1.830 -1.786 1.00 0.00 C ATOM 47 O ASP A 0 14.569 -1.147 -2.641 1.00 0.00 O ATOM 48 CB ASP A 0 16.239 -2.690 -0.948 1.00 0.00 C ATOM 49 CG ASP A 0 17.235 -2.695 0.226 1.00 0.00 C ATOM 50 OD1 ASP A 0 16.953 -2.108 1.300 1.00 0.00 O ATOM 51 OD2 ASP A 0 18.332 -3.287 0.073 1.00 0.00 O1- ATOM 0 H ASP A 0 14.094 -3.476 1.088 1.00 0.00 H new ATOM 0 HA ASP A 0 14.747 -1.606 0.181 1.00 0.00 H new ATOM 0 HB2 ASP A 0 16.280 -3.661 -1.441 1.00 0.00 H new ATOM 0 HB3 ASP A 0 16.566 -1.949 -1.677 1.00 0.00 H new ATOM 56 N ARG A 1 12.720 -2.172 -1.885 1.00 0.00 N ATOM 57 CA ARG A 1 11.822 -1.942 -3.041 1.00 0.00 C ATOM 58 C ARG A 1 12.382 -2.403 -4.403 1.00 0.00 C ATOM 59 O ARG A 1 11.865 -2.023 -5.456 1.00 0.00 O ATOM 60 CB ARG A 1 11.273 -0.504 -2.939 1.00 0.00 C ATOM 61 CG ARG A 1 12.186 0.719 -3.111 1.00 0.00 C ATOM 62 CD ARG A 1 12.894 0.827 -4.459 1.00 0.00 C ATOM 63 NE ARG A 1 11.945 0.850 -5.589 1.00 0.00 N ATOM 64 CZ ARG A 1 11.383 1.897 -6.167 1.00 0.00 C ATOM 65 NH1 ARG A 1 10.561 1.730 -7.163 1.00 0.00 N1+ ATOM 66 NH2 ARG A 1 11.618 3.117 -5.775 1.00 0.00 N ATOM 0 H ARG A 1 12.239 -2.645 -1.120 1.00 0.00 H new ATOM 0 HA ARG A 1 10.963 -2.612 -2.990 1.00 0.00 H new ATOM 0 HB2 ARG A 1 10.481 -0.414 -3.682 1.00 0.00 H new ATOM 0 HB3 ARG A 1 10.803 -0.413 -1.960 1.00 0.00 H new ATOM 0 HG2 ARG A 1 11.590 1.619 -2.960 1.00 0.00 H new ATOM 0 HG3 ARG A 1 12.941 0.701 -2.325 1.00 0.00 H new ATOM 0 HD2 ARG A 1 13.500 1.733 -4.477 1.00 0.00 H new ATOM 0 HD3 ARG A 1 13.576 -0.015 -4.577 1.00 0.00 H new ATOM 0 HE ARG A 1 11.690 -0.060 -5.973 1.00 0.00 H new ATOM 0 HH11 ARG A 1 10.350 0.790 -7.498 1.00 0.00 H new ATOM 0 HH12 ARG A 1 10.128 2.539 -7.608 1.00 0.00 H new ATOM 0 HH21 ARG A 1 12.255 3.289 -4.997 1.00 0.00 H new ATOM 0 HH22 ARG A 1 11.165 3.900 -6.246 1.00 0.00 H new ATOM 80 N TYR A 2 13.411 -3.248 -4.373 1.00 0.00 N ATOM 81 CA TYR A 2 14.170 -3.733 -5.523 1.00 0.00 C ATOM 82 C TYR A 2 13.540 -4.969 -6.192 1.00 0.00 C ATOM 83 O TYR A 2 12.768 -5.713 -5.580 1.00 0.00 O ATOM 84 CB TYR A 2 15.586 -4.097 -5.045 1.00 0.00 C ATOM 85 CG TYR A 2 16.679 -3.272 -5.691 1.00 0.00 C ATOM 86 CD1 TYR A 2 16.902 -1.950 -5.257 1.00 0.00 C ATOM 87 CD2 TYR A 2 17.468 -3.816 -6.724 1.00 0.00 C ATOM 88 CE1 TYR A 2 17.910 -1.168 -5.850 1.00 0.00 C ATOM 89 CE2 TYR A 2 18.476 -3.036 -7.323 1.00 0.00 C ATOM 90 CZ TYR A 2 18.701 -1.708 -6.888 1.00 0.00 C ATOM 91 OH TYR A 2 19.680 -0.965 -7.479 1.00 0.00 O ATOM 0 H TYR A 2 13.757 -3.634 -3.495 1.00 0.00 H new ATOM 0 HA TYR A 2 14.179 -2.938 -6.269 1.00 0.00 H new ATOM 0 HB2 TYR A 2 15.638 -3.970 -3.964 1.00 0.00 H new ATOM 0 HB3 TYR A 2 15.769 -5.151 -5.251 1.00 0.00 H new ATOM 0 HD1 TYR A 2 16.296 -1.535 -4.465 1.00 0.00 H new ATOM 0 HD2 TYR A 2 17.300 -4.830 -7.056 1.00 0.00 H new ATOM 0 HE1 TYR A 2 18.079 -0.156 -5.512 1.00 0.00 H new ATOM 0 HE2 TYR A 2 19.079 -3.452 -8.116 1.00 0.00 H new ATOM 0 HH TYR A 2 20.122 -1.499 -8.172 1.00 0.00 H new ATOM 101 N ASP A 3 13.917 -5.216 -7.451 1.00 0.00 N ATOM 102 CA ASP A 3 13.588 -6.463 -8.152 1.00 0.00 C ATOM 103 C ASP A 3 14.543 -7.591 -7.707 1.00 0.00 C ATOM 104 O ASP A 3 15.747 -7.561 -7.987 1.00 0.00 O ATOM 105 CB ASP A 3 13.639 -6.256 -9.674 1.00 0.00 C ATOM 106 CG ASP A 3 12.670 -5.172 -10.177 1.00 0.00 C ATOM 107 OD1 ASP A 3 11.499 -5.131 -9.727 1.00 0.00 O ATOM 108 OD2 ASP A 3 13.079 -4.356 -11.039 1.00 0.00 O1- ATOM 0 H ASP A 3 14.458 -4.559 -8.013 1.00 0.00 H new ATOM 0 HA ASP A 3 12.571 -6.757 -7.891 1.00 0.00 H new ATOM 0 HB2 ASP A 3 14.655 -5.987 -9.963 1.00 0.00 H new ATOM 0 HB3 ASP A 3 13.406 -7.199 -10.169 1.00 0.00 H new ATOM 113 N PHE A 4 13.988 -8.600 -7.035 1.00 0.00 N ATOM 114 CA PHE A 4 14.670 -9.783 -6.510 1.00 0.00 C ATOM 115 C PHE A 4 13.897 -11.071 -6.824 1.00 0.00 C ATOM 116 O PHE A 4 12.709 -11.055 -7.150 1.00 0.00 O ATOM 117 CB PHE A 4 14.841 -9.608 -4.988 1.00 0.00 C ATOM 118 CG PHE A 4 15.859 -8.579 -4.513 1.00 0.00 C ATOM 119 CD1 PHE A 4 15.519 -7.678 -3.486 1.00 0.00 C ATOM 120 CD2 PHE A 4 17.152 -8.524 -5.076 1.00 0.00 C ATOM 121 CE1 PHE A 4 16.460 -6.746 -3.012 1.00 0.00 C ATOM 122 CE2 PHE A 4 18.091 -7.586 -4.609 1.00 0.00 C ATOM 123 CZ PHE A 4 17.748 -6.702 -3.572 1.00 0.00 C ATOM 0 H PHE A 4 12.989 -8.614 -6.830 1.00 0.00 H new ATOM 0 HA PHE A 4 15.644 -9.877 -6.991 1.00 0.00 H new ATOM 0 HB2 PHE A 4 13.871 -9.342 -4.568 1.00 0.00 H new ATOM 0 HB3 PHE A 4 15.116 -10.575 -4.566 1.00 0.00 H new ATOM 0 HD1 PHE A 4 14.527 -7.703 -3.059 1.00 0.00 H new ATOM 0 HD2 PHE A 4 17.422 -9.205 -5.869 1.00 0.00 H new ATOM 0 HE1 PHE A 4 16.193 -6.065 -2.218 1.00 0.00 H new ATOM 0 HE2 PHE A 4 19.077 -7.545 -5.048 1.00 0.00 H new ATOM 0 HZ PHE A 4 18.473 -5.990 -3.206 1.00 0.00 H new ATOM 133 N GLU A 5 14.579 -12.211 -6.704 1.00 0.00 N ATOM 134 CA GLU A 5 14.015 -13.547 -6.886 1.00 0.00 C ATOM 135 C GLU A 5 13.007 -13.802 -5.740 1.00 0.00 C ATOM 136 O GLU A 5 13.375 -14.091 -4.602 1.00 0.00 O ATOM 137 CB GLU A 5 15.189 -14.569 -6.915 1.00 0.00 C ATOM 138 CG GLU A 5 16.444 -14.173 -7.717 1.00 0.00 C ATOM 139 CD GLU A 5 16.173 -14.180 -9.225 1.00 0.00 C ATOM 140 OE1 GLU A 5 16.340 -13.139 -9.896 1.00 0.00 O ATOM 141 OE2 GLU A 5 15.783 -15.242 -9.763 1.00 0.00 O1- ATOM 0 H GLU A 5 15.572 -12.229 -6.470 1.00 0.00 H new ATOM 0 HA GLU A 5 13.473 -13.650 -7.826 1.00 0.00 H new ATOM 0 HB2 GLU A 5 15.492 -14.765 -5.887 1.00 0.00 H new ATOM 0 HB3 GLU A 5 14.811 -15.508 -7.320 1.00 0.00 H new ATOM 0 HG2 GLU A 5 16.775 -13.181 -7.410 1.00 0.00 H new ATOM 0 HG3 GLU A 5 17.256 -14.864 -7.489 1.00 0.00 H new ATOM 148 N VAL A 6 11.712 -13.676 -6.066 1.00 0.00 N ATOM 149 CA VAL A 6 10.592 -13.644 -5.103 1.00 0.00 C ATOM 150 C VAL A 6 9.474 -14.553 -5.551 1.00 0.00 C ATOM 151 O VAL A 6 8.758 -14.233 -6.482 1.00 0.00 O ATOM 152 CB VAL A 6 10.107 -12.185 -4.929 1.00 0.00 C ATOM 153 CG1 VAL A 6 8.773 -12.057 -4.171 1.00 0.00 C ATOM 154 CG2 VAL A 6 11.123 -11.328 -4.169 1.00 0.00 C ATOM 0 H VAL A 6 11.402 -13.591 -7.034 1.00 0.00 H new ATOM 0 HA VAL A 6 10.935 -14.013 -4.136 1.00 0.00 H new ATOM 0 HB VAL A 6 9.978 -11.834 -5.953 1.00 0.00 H new ATOM 0 HG11 VAL A 6 8.500 -11.005 -4.090 1.00 0.00 H new ATOM 0 HG12 VAL A 6 7.994 -12.593 -4.713 1.00 0.00 H new ATOM 0 HG13 VAL A 6 8.879 -12.482 -3.173 1.00 0.00 H new ATOM 0 HG21 VAL A 6 10.741 -10.312 -4.070 1.00 0.00 H new ATOM 0 HG22 VAL A 6 11.287 -11.752 -3.178 1.00 0.00 H new ATOM 0 HG23 VAL A 6 12.065 -11.309 -4.717 1.00 0.00 H new ATOM 164 N VAL A 7 9.271 -15.685 -4.893 1.00 0.00 N ATOM 165 CA VAL A 7 8.224 -16.636 -5.295 1.00 0.00 C ATOM 166 C VAL A 7 6.857 -16.083 -4.882 1.00 0.00 C ATOM 167 O VAL A 7 6.439 -16.177 -3.730 1.00 0.00 O ATOM 168 CB VAL A 7 8.461 -18.033 -4.693 1.00 0.00 C ATOM 169 CG1 VAL A 7 7.329 -18.989 -5.057 1.00 0.00 C ATOM 170 CG2 VAL A 7 9.722 -18.673 -5.273 1.00 0.00 C ATOM 0 H VAL A 7 9.812 -15.975 -4.078 1.00 0.00 H new ATOM 0 HA VAL A 7 8.255 -16.752 -6.378 1.00 0.00 H new ATOM 0 HB VAL A 7 8.537 -17.886 -3.616 1.00 0.00 H new ATOM 0 HG11 VAL A 7 7.524 -19.968 -4.618 1.00 0.00 H new ATOM 0 HG12 VAL A 7 6.386 -18.600 -4.672 1.00 0.00 H new ATOM 0 HG13 VAL A 7 7.267 -19.084 -6.141 1.00 0.00 H new ATOM 0 HG21 VAL A 7 9.866 -19.659 -4.831 1.00 0.00 H new ATOM 0 HG22 VAL A 7 9.616 -18.772 -6.353 1.00 0.00 H new ATOM 0 HG23 VAL A 7 10.585 -18.045 -5.049 1.00 0.00 H new ATOM 180 N ARG A 8 6.144 -15.508 -5.845 1.00 0.00 N ATOM 181 CA ARG A 8 4.807 -14.929 -5.681 1.00 0.00 C ATOM 182 C ARG A 8 3.889 -15.496 -6.740 1.00 0.00 C ATOM 183 O ARG A 8 3.822 -14.975 -7.846 1.00 0.00 O ATOM 184 CB ARG A 8 4.895 -13.396 -5.759 1.00 0.00 C ATOM 185 CG ARG A 8 4.795 -12.747 -4.384 1.00 0.00 C ATOM 186 CD ARG A 8 4.973 -11.219 -4.582 1.00 0.00 C ATOM 187 NE ARG A 8 4.149 -10.404 -3.651 1.00 0.00 N ATOM 188 CZ ARG A 8 4.298 -10.265 -2.344 1.00 0.00 C ATOM 189 NH1 ARG A 8 5.254 -10.852 -1.678 1.00 0.00 N1+ ATOM 190 NH2 ARG A 8 3.473 -9.517 -1.671 1.00 0.00 N ATOM 0 H ARG A 8 6.492 -15.427 -6.800 1.00 0.00 H new ATOM 0 HA ARG A 8 4.397 -15.186 -4.704 1.00 0.00 H new ATOM 0 HB2 ARG A 8 5.837 -13.110 -6.227 1.00 0.00 H new ATOM 0 HB3 ARG A 8 4.095 -13.019 -6.397 1.00 0.00 H new ATOM 0 HG2 ARG A 8 3.831 -12.965 -3.925 1.00 0.00 H new ATOM 0 HG3 ARG A 8 5.562 -13.140 -3.717 1.00 0.00 H new ATOM 0 HD2 ARG A 8 6.024 -10.962 -4.446 1.00 0.00 H new ATOM 0 HD3 ARG A 8 4.712 -10.960 -5.608 1.00 0.00 H new ATOM 0 HE ARG A 8 3.375 -9.890 -4.071 1.00 0.00 H new ATOM 0 HH11 ARG A 8 5.924 -11.446 -2.165 1.00 0.00 H new ATOM 0 HH12 ARG A 8 5.331 -10.716 -0.670 1.00 0.00 H new ATOM 0 HH21 ARG A 8 2.711 -9.038 -2.151 1.00 0.00 H new ATOM 0 HH22 ARG A 8 3.588 -9.410 -0.663 1.00 0.00 H new ATOM 204 N CYS A 9 3.251 -16.605 -6.390 1.00 0.00 N ATOM 205 CA CYS A 9 2.174 -17.220 -7.172 1.00 0.00 C ATOM 206 C CYS A 9 0.786 -16.727 -6.729 1.00 0.00 C ATOM 207 O CYS A 9 0.605 -16.353 -5.573 1.00 0.00 O ATOM 208 CB CYS A 9 2.296 -18.753 -7.073 1.00 0.00 C ATOM 209 SG CYS A 9 1.130 -19.620 -8.184 1.00 0.00 S ATOM 0 H CYS A 9 3.469 -17.118 -5.536 1.00 0.00 H new ATOM 0 HA CYS A 9 2.278 -16.920 -8.215 1.00 0.00 H new ATOM 0 HB2 CYS A 9 3.316 -19.050 -7.318 1.00 0.00 H new ATOM 0 HB3 CYS A 9 2.112 -19.063 -6.044 1.00 0.00 H new ATOM 214 N ILE A 10 -0.233 -16.883 -7.591 1.00 0.00 N ATOM 215 CA ILE A 10 -1.673 -16.687 -7.259 1.00 0.00 C ATOM 216 C ILE A 10 -2.148 -17.524 -6.068 1.00 0.00 C ATOM 217 O ILE A 10 -3.195 -17.277 -5.473 1.00 0.00 O ATOM 218 CB ILE A 10 -2.584 -17.042 -8.456 1.00 0.00 C ATOM 219 CG1 ILE A 10 -2.359 -18.406 -9.160 1.00 0.00 C ATOM 220 CG2 ILE A 10 -2.418 -15.916 -9.471 1.00 0.00 C ATOM 221 CD1 ILE A 10 -2.751 -19.669 -8.386 1.00 0.00 C ATOM 0 H ILE A 10 -0.085 -17.155 -8.563 1.00 0.00 H new ATOM 0 HA ILE A 10 -1.750 -15.630 -7.004 1.00 0.00 H new ATOM 0 HB ILE A 10 -3.588 -17.148 -8.045 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -2.916 -18.398 -10.097 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -1.303 -18.482 -9.418 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -3.042 -16.116 -10.342 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -2.718 -14.971 -9.018 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -1.374 -15.855 -9.779 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -2.541 -20.549 -8.995 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -2.177 -19.722 -7.461 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -3.815 -19.636 -8.151 1.00 0.00 H new ATOM 233 N CYS A 11 -1.336 -18.524 -5.739 1.00 0.00 N ATOM 234 CA CYS A 11 -1.504 -19.432 -4.623 1.00 0.00 C ATOM 235 C CYS A 11 -1.232 -18.709 -3.272 1.00 0.00 C ATOM 236 O CYS A 11 -1.549 -19.251 -2.214 1.00 0.00 O ATOM 237 CB CYS A 11 -0.495 -20.584 -4.836 1.00 0.00 C ATOM 238 SG CYS A 11 -0.854 -21.988 -5.888 1.00 0.00 S ATOM 0 H CYS A 11 -0.496 -18.729 -6.280 1.00 0.00 H new ATOM 0 HA CYS A 11 -2.526 -19.807 -4.580 1.00 0.00 H new ATOM 0 HB2 CYS A 11 0.420 -20.132 -5.219 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -0.264 -20.984 -3.849 1.00 0.00 H new ATOM 243 N GLU A 12 -0.595 -17.518 -3.300 1.00 0.00 N ATOM 244 CA GLU A 12 -0.099 -16.734 -2.156 1.00 0.00 C ATOM 245 C GLU A 12 0.764 -17.555 -1.192 1.00 0.00 C ATOM 246 O GLU A 12 0.726 -17.417 0.032 1.00 0.00 O ATOM 247 CB GLU A 12 -1.252 -15.956 -1.503 1.00 0.00 C ATOM 248 CG GLU A 12 -1.842 -14.898 -2.448 1.00 0.00 C ATOM 249 CD GLU A 12 -2.891 -14.002 -1.754 1.00 0.00 C ATOM 250 OE1 GLU A 12 -2.918 -12.777 -2.031 1.00 0.00 O ATOM 251 OE2 GLU A 12 -3.699 -14.500 -0.929 1.00 0.00 O1- ATOM 0 H GLU A 12 -0.402 -17.050 -4.185 1.00 0.00 H new ATOM 0 HA GLU A 12 0.600 -15.984 -2.526 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -2.036 -16.652 -1.204 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -0.893 -15.471 -0.595 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -1.037 -14.274 -2.837 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -2.302 -15.395 -3.302 1.00 0.00 H new ATOM 258 N VAL A 13 1.554 -18.430 -1.811 1.00 0.00 N ATOM 259 CA VAL A 13 2.522 -19.323 -1.203 1.00 0.00 C ATOM 260 C VAL A 13 3.875 -19.119 -1.879 1.00 0.00 C ATOM 261 O VAL A 13 3.962 -19.009 -3.101 1.00 0.00 O ATOM 262 CB VAL A 13 1.983 -20.767 -1.269 1.00 0.00 C ATOM 263 CG1 VAL A 13 2.287 -21.488 -2.583 1.00 0.00 C ATOM 264 CG2 VAL A 13 2.490 -21.599 -0.089 1.00 0.00 C ATOM 0 H VAL A 13 1.528 -18.536 -2.825 1.00 0.00 H new ATOM 0 HA VAL A 13 2.674 -19.105 -0.146 1.00 0.00 H new ATOM 0 HB VAL A 13 0.899 -20.669 -1.213 1.00 0.00 H new ATOM 0 HG11 VAL A 13 1.875 -22.496 -2.549 1.00 0.00 H new ATOM 0 HG12 VAL A 13 1.837 -20.940 -3.411 1.00 0.00 H new ATOM 0 HG13 VAL A 13 3.366 -21.542 -2.727 1.00 0.00 H new ATOM 0 HG21 VAL A 13 2.094 -22.612 -0.161 1.00 0.00 H new ATOM 0 HG22 VAL A 13 3.579 -21.633 -0.109 1.00 0.00 H new ATOM 0 HG23 VAL A 13 2.158 -21.146 0.845 1.00 0.00 H new ATOM 274 N GLN A 14 4.936 -19.110 -1.083 1.00 0.00 N ATOM 275 CA GLN A 14 6.325 -19.141 -1.570 1.00 0.00 C ATOM 276 C GLN A 14 6.841 -20.593 -1.798 1.00 0.00 C ATOM 277 O GLN A 14 8.035 -20.806 -2.020 1.00 0.00 O ATOM 278 CB GLN A 14 7.245 -18.364 -0.619 1.00 0.00 C ATOM 279 CG GLN A 14 7.095 -16.834 -0.585 1.00 0.00 C ATOM 280 CD GLN A 14 5.678 -16.347 -0.292 1.00 0.00 C ATOM 281 OE1 GLN A 14 5.246 -16.258 0.849 1.00 0.00 O ATOM 282 NE2 GLN A 14 4.891 -16.017 -1.298 1.00 0.00 N ATOM 0 H GLN A 14 4.864 -19.081 -0.066 1.00 0.00 H new ATOM 0 HA GLN A 14 6.340 -18.651 -2.544 1.00 0.00 H new ATOM 0 HB2 GLN A 14 7.082 -18.741 0.391 1.00 0.00 H new ATOM 0 HB3 GLN A 14 8.277 -18.596 -0.884 1.00 0.00 H new ATOM 0 HG2 GLN A 14 7.768 -16.432 0.172 1.00 0.00 H new ATOM 0 HG3 GLN A 14 7.415 -16.428 -1.545 1.00 0.00 H new ATOM 0 HE21 GLN A 14 5.233 -16.084 -2.257 1.00 0.00 H new ATOM 0 HE22 GLN A 14 3.940 -15.694 -1.117 1.00 0.00 H new ATOM 291 N GLU A 15 5.964 -21.603 -1.696 1.00 0.00 N ATOM 292 CA GLU A 15 6.244 -23.032 -1.886 1.00 0.00 C ATOM 293 C GLU A 15 6.742 -23.296 -3.302 1.00 0.00 C ATOM 294 O GLU A 15 6.374 -22.589 -4.234 1.00 0.00 O ATOM 295 CB GLU A 15 5.003 -23.879 -1.542 1.00 0.00 C ATOM 296 CG GLU A 15 5.186 -25.404 -1.614 1.00 0.00 C ATOM 297 CD GLU A 15 6.294 -25.902 -0.671 1.00 0.00 C ATOM 298 OE1 GLU A 15 5.999 -26.211 0.510 1.00 0.00 O ATOM 299 OE2 GLU A 15 7.463 -25.978 -1.116 1.00 0.00 O1- ATOM 0 H GLU A 15 4.985 -21.433 -1.466 1.00 0.00 H new ATOM 0 HA GLU A 15 7.038 -23.329 -1.201 1.00 0.00 H new ATOM 0 HB2 GLU A 15 4.678 -23.619 -0.534 1.00 0.00 H new ATOM 0 HB3 GLU A 15 4.197 -23.597 -2.219 1.00 0.00 H new ATOM 0 HG2 GLU A 15 4.246 -25.893 -1.358 1.00 0.00 H new ATOM 0 HG3 GLU A 15 5.426 -25.691 -2.638 1.00 0.00 H new ATOM 306 N GLU A 16 7.588 -24.299 -3.473 1.00 0.00 N ATOM 307 CA GLU A 16 8.066 -24.777 -4.735 1.00 0.00 C ATOM 308 C GLU A 16 7.507 -26.152 -5.108 1.00 0.00 C ATOM 309 O GLU A 16 7.709 -27.189 -4.475 1.00 0.00 O ATOM 310 CB GLU A 16 9.566 -24.769 -4.916 1.00 0.00 C ATOM 311 CG GLU A 16 10.337 -23.749 -4.081 1.00 0.00 C ATOM 312 CD GLU A 16 10.904 -24.307 -2.756 1.00 0.00 C ATOM 313 OE1 GLU A 16 11.405 -25.458 -2.724 1.00 0.00 O ATOM 314 OE2 GLU A 16 10.866 -23.587 -1.730 1.00 0.00 O1- ATOM 0 H GLU A 16 7.973 -24.821 -2.686 1.00 0.00 H new ATOM 0 HA GLU A 16 7.674 -24.031 -5.426 1.00 0.00 H new ATOM 0 HB2 GLU A 16 9.946 -25.763 -4.680 1.00 0.00 H new ATOM 0 HB3 GLU A 16 9.784 -24.586 -5.968 1.00 0.00 H new ATOM 0 HG2 GLU A 16 11.160 -23.357 -4.678 1.00 0.00 H new ATOM 0 HG3 GLU A 16 9.679 -22.910 -3.856 1.00 0.00 H new ATOM 321 N ASN A 17 6.824 -26.066 -6.215 1.00 0.00 N ATOM 322 CA ASN A 17 6.342 -27.164 -7.045 1.00 0.00 C ATOM 323 C ASN A 17 7.538 -27.772 -7.828 1.00 0.00 C ATOM 324 O ASN A 17 8.646 -27.227 -7.850 1.00 0.00 O ATOM 325 CB ASN A 17 5.243 -26.701 -8.030 1.00 0.00 C ATOM 326 CG ASN A 17 3.833 -26.591 -7.472 1.00 0.00 C ATOM 327 OD1 ASN A 17 3.587 -26.570 -6.276 1.00 0.00 O ATOM 328 ND2 ASN A 17 2.858 -26.519 -8.359 1.00 0.00 N ATOM 0 H ASN A 17 6.563 -25.159 -6.602 1.00 0.00 H new ATOM 0 HA ASN A 17 5.898 -27.917 -6.394 1.00 0.00 H new ATOM 0 HB2 ASN A 17 5.529 -25.727 -8.427 1.00 0.00 H new ATOM 0 HB3 ASN A 17 5.224 -27.395 -8.870 1.00 0.00 H new ATOM 0 HD21 ASN A 17 1.890 -26.445 -8.047 1.00 0.00 H new ATOM 0 HD22 ASN A 17 3.073 -26.537 -9.356 1.00 0.00 H new ATOM 335 N ASP A 18 7.275 -28.848 -8.569 1.00 0.00 N ATOM 336 CA ASP A 18 8.205 -29.466 -9.528 1.00 0.00 C ATOM 337 C ASP A 18 8.684 -28.512 -10.640 1.00 0.00 C ATOM 338 O ASP A 18 9.800 -28.663 -11.141 1.00 0.00 O ATOM 339 CB ASP A 18 7.505 -30.659 -10.198 1.00 0.00 C ATOM 340 CG ASP A 18 7.274 -31.885 -9.292 1.00 0.00 C ATOM 341 OD1 ASP A 18 6.544 -32.807 -9.730 1.00 0.00 O ATOM 342 OD2 ASP A 18 7.805 -31.953 -8.158 1.00 0.00 O1- ATOM 0 H ASP A 18 6.379 -29.334 -8.520 1.00 0.00 H new ATOM 0 HA ASP A 18 9.084 -29.763 -8.956 1.00 0.00 H new ATOM 0 HB2 ASP A 18 6.541 -30.324 -10.581 1.00 0.00 H new ATOM 0 HB3 ASP A 18 8.098 -30.971 -11.058 1.00 0.00 H new ATOM 347 N PHE A 19 7.858 -27.526 -11.009 1.00 0.00 N ATOM 348 CA PHE A 19 8.175 -26.475 -11.975 1.00 0.00 C ATOM 349 C PHE A 19 7.895 -25.050 -11.469 1.00 0.00 C ATOM 350 O PHE A 19 6.803 -24.777 -10.973 1.00 0.00 O ATOM 351 CB PHE A 19 7.415 -26.752 -13.291 1.00 0.00 C ATOM 352 CG PHE A 19 7.702 -25.753 -14.367 1.00 0.00 C ATOM 353 CD1 PHE A 19 6.641 -25.125 -15.037 1.00 0.00 C ATOM 354 CD2 PHE A 19 9.038 -25.467 -14.700 1.00 0.00 C ATOM 355 CE1 PHE A 19 6.925 -24.224 -16.067 1.00 0.00 C ATOM 356 CE2 PHE A 19 9.315 -24.542 -15.708 1.00 0.00 C ATOM 357 CZ PHE A 19 8.256 -23.954 -16.407 1.00 0.00 C ATOM 0 H PHE A 19 6.916 -27.438 -10.627 1.00 0.00 H new ATOM 0 HA PHE A 19 9.252 -26.509 -12.141 1.00 0.00 H new ATOM 0 HB2 PHE A 19 7.678 -27.747 -13.650 1.00 0.00 H new ATOM 0 HB3 PHE A 19 6.344 -26.759 -13.088 1.00 0.00 H new ATOM 0 HD1 PHE A 19 5.618 -25.335 -14.760 1.00 0.00 H new ATOM 0 HD2 PHE A 19 9.845 -25.960 -14.179 1.00 0.00 H new ATOM 0 HE1 PHE A 19 6.121 -23.738 -16.599 1.00 0.00 H new ATOM 0 HE2 PHE A 19 10.336 -24.283 -15.946 1.00 0.00 H new ATOM 0 HZ PHE A 19 8.469 -23.280 -17.223 1.00 0.00 H new ATOM 367 N MET A 20 8.848 -24.116 -11.663 1.00 0.00 N ATOM 368 CA MET A 20 8.671 -22.668 -11.444 1.00 0.00 C ATOM 369 C MET A 20 9.286 -21.816 -12.567 1.00 0.00 C ATOM 370 O MET A 20 10.280 -22.222 -13.171 1.00 0.00 O ATOM 371 CB MET A 20 9.213 -22.194 -10.080 1.00 0.00 C ATOM 372 CG MET A 20 8.843 -23.128 -8.941 1.00 0.00 C ATOM 373 SD MET A 20 9.053 -22.375 -7.320 1.00 0.00 S ATOM 374 CE MET A 20 7.525 -21.446 -7.228 1.00 0.00 C ATOM 0 H MET A 20 9.786 -24.355 -11.985 1.00 0.00 H new ATOM 0 HA MET A 20 7.591 -22.519 -11.451 1.00 0.00 H new ATOM 0 HB2 MET A 20 10.298 -22.109 -10.136 1.00 0.00 H new ATOM 0 HB3 MET A 20 8.826 -21.198 -9.867 1.00 0.00 H new ATOM 0 HG2 MET A 20 7.806 -23.442 -9.058 1.00 0.00 H new ATOM 0 HG3 MET A 20 9.457 -24.027 -9.001 1.00 0.00 H new ATOM 0 HE1 MET A 20 7.102 -21.539 -6.228 1.00 0.00 H new ATOM 0 HE2 MET A 20 7.724 -20.396 -7.442 1.00 0.00 H new ATOM 0 HE3 MET A 20 6.817 -21.837 -7.959 1.00 0.00 H new ATOM 384 N ILE A 21 8.728 -20.622 -12.802 1.00 0.00 N ATOM 385 CA ILE A 21 9.160 -19.647 -13.840 1.00 0.00 C ATOM 386 C ILE A 21 9.308 -18.275 -13.207 1.00 0.00 C ATOM 387 O ILE A 21 8.632 -18.020 -12.220 1.00 0.00 O ATOM 388 CB ILE A 21 8.176 -19.497 -15.028 1.00 0.00 C ATOM 389 CG1 ILE A 21 7.663 -20.847 -15.510 1.00 0.00 C ATOM 390 CG2 ILE A 21 8.657 -18.810 -16.345 1.00 0.00 C ATOM 391 CD1 ILE A 21 6.232 -20.668 -15.916 1.00 0.00 C ATOM 0 H ILE A 21 7.932 -20.285 -12.260 1.00 0.00 H new ATOM 0 HA ILE A 21 10.098 -20.038 -14.234 1.00 0.00 H new ATOM 0 HB ILE A 21 7.445 -18.842 -14.554 1.00 0.00 H new ATOM 0 HG12 ILE A 21 8.258 -21.205 -16.350 1.00 0.00 H new ATOM 0 HG13 ILE A 21 7.747 -21.593 -14.720 1.00 0.00 H new ATOM 0 HG21 ILE A 21 7.839 -18.792 -17.066 1.00 0.00 H new ATOM 0 HG22 ILE A 21 8.972 -17.789 -16.129 1.00 0.00 H new ATOM 0 HG23 ILE A 21 9.495 -19.368 -16.761 1.00 0.00 H new ATOM 0 HD11 ILE A 21 5.832 -21.619 -16.268 1.00 0.00 H new ATOM 0 HD12 ILE A 21 5.651 -20.324 -15.060 1.00 0.00 H new ATOM 0 HD13 ILE A 21 6.170 -19.930 -16.716 1.00 0.00 H new ATOM 403 N GLN A 22 10.107 -17.388 -13.789 1.00 0.00 N ATOM 404 CA GLN A 22 10.321 -16.021 -13.296 1.00 0.00 C ATOM 405 C GLN A 22 9.666 -14.993 -14.221 1.00 0.00 C ATOM 406 O GLN A 22 9.861 -15.036 -15.435 1.00 0.00 O ATOM 407 CB GLN A 22 11.840 -15.767 -13.173 1.00 0.00 C ATOM 408 CG GLN A 22 12.184 -14.277 -12.985 1.00 0.00 C ATOM 409 CD GLN A 22 13.596 -14.053 -12.449 1.00 0.00 C ATOM 410 OE1 GLN A 22 14.571 -14.109 -13.180 1.00 0.00 O ATOM 411 NE2 GLN A 22 13.787 -13.780 -11.182 1.00 0.00 N ATOM 0 H GLN A 22 10.638 -17.598 -14.634 1.00 0.00 H new ATOM 0 HA GLN A 22 9.855 -15.914 -12.317 1.00 0.00 H new ATOM 0 HB2 GLN A 22 12.231 -16.335 -12.329 1.00 0.00 H new ATOM 0 HB3 GLN A 22 12.340 -16.140 -14.067 1.00 0.00 H new ATOM 0 HG2 GLN A 22 12.078 -13.762 -13.940 1.00 0.00 H new ATOM 0 HG3 GLN A 22 11.466 -13.828 -12.299 1.00 0.00 H new ATOM 0 HE21 GLN A 22 12.991 -13.726 -10.546 1.00 0.00 H new ATOM 0 HE22 GLN A 22 14.732 -13.621 -10.831 1.00 0.00 H new ATOM 420 N CYS A 23 8.975 -14.009 -13.643 1.00 0.00 N ATOM 421 CA CYS A 23 8.437 -12.854 -14.347 1.00 0.00 C ATOM 422 C CYS A 23 9.560 -11.997 -14.895 1.00 0.00 C ATOM 423 O CYS A 23 10.463 -11.604 -14.161 1.00 0.00 O ATOM 424 CB CYS A 23 7.604 -12.030 -13.363 1.00 0.00 C ATOM 425 SG CYS A 23 6.872 -10.526 -14.067 1.00 0.00 S ATOM 0 H CYS A 23 8.771 -13.998 -12.644 1.00 0.00 H new ATOM 0 HA CYS A 23 7.821 -13.192 -15.180 1.00 0.00 H new ATOM 0 HB2 CYS A 23 6.804 -12.658 -12.970 1.00 0.00 H new ATOM 0 HB3 CYS A 23 8.234 -11.751 -12.519 1.00 0.00 H new ATOM 430 N GLU A 24 9.460 -11.619 -16.161 1.00 0.00 N ATOM 431 CA GLU A 24 10.466 -10.758 -16.794 1.00 0.00 C ATOM 432 C GLU A 24 10.408 -9.294 -16.299 1.00 0.00 C ATOM 433 O GLU A 24 11.384 -8.558 -16.442 1.00 0.00 O ATOM 434 CB GLU A 24 10.303 -10.877 -18.317 1.00 0.00 C ATOM 435 CG GLU A 24 8.963 -10.264 -18.787 1.00 0.00 C ATOM 436 CD GLU A 24 9.042 -8.824 -19.354 1.00 0.00 C ATOM 437 OE1 GLU A 24 7.987 -8.147 -19.380 1.00 0.00 O ATOM 438 OE2 GLU A 24 10.132 -8.367 -19.778 1.00 0.00 O1- ATOM 0 H GLU A 24 8.694 -11.892 -16.776 1.00 0.00 H new ATOM 0 HA GLU A 24 11.461 -11.097 -16.506 1.00 0.00 H new ATOM 0 HB2 GLU A 24 11.131 -10.372 -18.814 1.00 0.00 H new ATOM 0 HB3 GLU A 24 10.348 -11.926 -18.609 1.00 0.00 H new ATOM 0 HG2 GLU A 24 8.537 -10.913 -19.552 1.00 0.00 H new ATOM 0 HG3 GLU A 24 8.270 -10.266 -17.946 1.00 0.00 H new ATOM 445 N GLU A 25 9.288 -8.871 -15.692 1.00 0.00 N ATOM 446 CA GLU A 25 9.061 -7.469 -15.299 1.00 0.00 C ATOM 447 C GLU A 25 9.526 -7.158 -13.877 1.00 0.00 C ATOM 448 O GLU A 25 10.327 -6.246 -13.674 1.00 0.00 O ATOM 449 CB GLU A 25 7.576 -7.143 -15.468 1.00 0.00 C ATOM 450 CG GLU A 25 7.112 -5.693 -15.235 1.00 0.00 C ATOM 451 CD GLU A 25 8.025 -4.596 -15.826 1.00 0.00 C ATOM 452 OE1 GLU A 25 8.253 -3.568 -15.142 1.00 0.00 O ATOM 453 OE2 GLU A 25 8.519 -4.738 -16.972 1.00 0.00 O1- ATOM 0 H GLU A 25 8.513 -9.491 -15.459 1.00 0.00 H new ATOM 0 HA GLU A 25 9.665 -6.839 -15.951 1.00 0.00 H new ATOM 0 HB2 GLU A 25 7.288 -7.425 -16.481 1.00 0.00 H new ATOM 0 HB3 GLU A 25 7.016 -7.784 -14.787 1.00 0.00 H new ATOM 0 HG2 GLU A 25 6.114 -5.577 -15.659 1.00 0.00 H new ATOM 0 HG3 GLU A 25 7.023 -5.527 -14.161 1.00 0.00 H new ATOM 460 N CYS A 26 9.067 -7.966 -12.915 1.00 0.00 N ATOM 461 CA CYS A 26 9.366 -7.792 -11.501 1.00 0.00 C ATOM 462 C CYS A 26 10.203 -8.906 -10.848 1.00 0.00 C ATOM 463 O CYS A 26 10.402 -8.908 -9.631 1.00 0.00 O ATOM 464 CB CYS A 26 8.081 -7.621 -10.716 1.00 0.00 C ATOM 465 SG CYS A 26 7.025 -9.060 -10.481 1.00 0.00 S ATOM 0 H CYS A 26 8.469 -8.770 -13.106 1.00 0.00 H new ATOM 0 HA CYS A 26 9.989 -6.898 -11.466 1.00 0.00 H new ATOM 0 HB2 CYS A 26 8.343 -7.236 -9.730 1.00 0.00 H new ATOM 0 HB3 CYS A 26 7.489 -6.852 -11.212 1.00 0.00 H new ATOM 470 N GLN A 27 10.662 -9.881 -11.639 1.00 0.00 N ATOM 471 CA GLN A 27 11.505 -11.007 -11.225 1.00 0.00 C ATOM 472 C GLN A 27 10.846 -12.074 -10.339 1.00 0.00 C ATOM 473 O GLN A 27 11.514 -13.002 -9.878 1.00 0.00 O ATOM 474 CB GLN A 27 12.814 -10.507 -10.587 1.00 0.00 C ATOM 475 CG GLN A 27 14.129 -10.714 -11.368 1.00 0.00 C ATOM 476 CD GLN A 27 14.734 -9.403 -11.860 1.00 0.00 C ATOM 477 OE1 GLN A 27 15.694 -8.877 -11.316 1.00 0.00 O ATOM 478 NE2 GLN A 27 14.189 -8.823 -12.916 1.00 0.00 N ATOM 0 H GLN A 27 10.445 -9.908 -12.635 1.00 0.00 H new ATOM 0 HA GLN A 27 11.708 -11.531 -12.159 1.00 0.00 H new ATOM 0 HB2 GLN A 27 12.705 -9.440 -10.395 1.00 0.00 H new ATOM 0 HB3 GLN A 27 12.921 -10.996 -9.619 1.00 0.00 H new ATOM 0 HG2 GLN A 27 14.850 -11.225 -10.729 1.00 0.00 H new ATOM 0 HG3 GLN A 27 13.941 -11.366 -12.221 1.00 0.00 H new ATOM 0 HE21 GLN A 27 13.388 -9.253 -13.377 1.00 0.00 H new ATOM 0 HE22 GLN A 27 14.570 -7.945 -13.269 1.00 0.00 H new ATOM 487 N CYS A 28 9.551 -11.990 -10.068 1.00 0.00 N ATOM 488 CA CYS A 28 8.954 -12.932 -9.138 1.00 0.00 C ATOM 489 C CYS A 28 8.754 -14.307 -9.763 1.00 0.00 C ATOM 490 O CYS A 28 8.515 -14.412 -10.959 1.00 0.00 O ATOM 491 CB CYS A 28 7.655 -12.355 -8.612 1.00 0.00 C ATOM 492 SG CYS A 28 6.498 -12.031 -9.961 1.00 0.00 S ATOM 0 H CYS A 28 8.912 -11.301 -10.466 1.00 0.00 H new ATOM 0 HA CYS A 28 9.639 -13.083 -8.303 1.00 0.00 H new ATOM 0 HB2 CYS A 28 7.206 -13.049 -7.902 1.00 0.00 H new ATOM 0 HB3 CYS A 28 7.856 -11.431 -8.071 1.00 0.00 H new ATOM 0 HG CYS A 28 6.526 -10.767 -10.262 1.00 0.00 H new ATOM 498 N TRP A 29 8.805 -15.353 -8.951 1.00 0.00 N ATOM 499 CA TRP A 29 8.713 -16.741 -9.370 1.00 0.00 C ATOM 500 C TRP A 29 7.353 -17.373 -9.105 1.00 0.00 C ATOM 501 O TRP A 29 6.725 -17.070 -8.093 1.00 0.00 O ATOM 502 CB TRP A 29 9.847 -17.491 -8.690 1.00 0.00 C ATOM 503 CG TRP A 29 11.210 -17.307 -9.267 1.00 0.00 C ATOM 504 CD1 TRP A 29 12.052 -16.286 -8.995 1.00 0.00 C ATOM 505 CD2 TRP A 29 11.919 -18.161 -10.204 1.00 0.00 C ATOM 506 NE1 TRP A 29 13.247 -16.467 -9.667 1.00 0.00 N ATOM 507 CE2 TRP A 29 13.220 -17.629 -10.403 1.00 0.00 C ATOM 508 CE3 TRP A 29 11.591 -19.333 -10.908 1.00 0.00 C ATOM 509 CZ2 TRP A 29 14.154 -18.255 -11.222 1.00 0.00 C ATOM 510 CZ3 TRP A 29 12.528 -19.953 -11.759 1.00 0.00 C ATOM 511 CH2 TRP A 29 13.817 -19.426 -11.908 1.00 0.00 C ATOM 0 H TRP A 29 8.916 -15.252 -7.942 1.00 0.00 H new ATOM 0 HA TRP A 29 8.813 -16.797 -10.454 1.00 0.00 H new ATOM 0 HB2 TRP A 29 9.876 -17.188 -7.643 1.00 0.00 H new ATOM 0 HB3 TRP A 29 9.610 -18.555 -8.707 1.00 0.00 H new ATOM 0 HD1 TRP A 29 11.825 -15.451 -8.348 1.00 0.00 H new ATOM 0 HE1 TRP A 29 14.040 -15.827 -9.623 1.00 0.00 H new ATOM 0 HE3 TRP A 29 10.607 -19.764 -10.795 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 15.143 -17.835 -11.328 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 12.249 -20.844 -12.302 1.00 0.00 H new ATOM 0 HH2 TRP A 29 14.540 -19.917 -12.543 1.00 0.00 H new ATOM 522 N GLN A 30 6.869 -18.255 -9.981 1.00 0.00 N ATOM 523 CA GLN A 30 5.549 -18.870 -9.835 1.00 0.00 C ATOM 524 C GLN A 30 5.579 -20.300 -10.278 1.00 0.00 C ATOM 525 O GLN A 30 6.433 -20.670 -11.075 1.00 0.00 O ATOM 526 CB GLN A 30 4.498 -18.191 -10.725 1.00 0.00 C ATOM 527 CG GLN A 30 4.269 -16.746 -10.365 1.00 0.00 C ATOM 528 CD GLN A 30 5.379 -15.848 -10.850 1.00 0.00 C ATOM 529 OE1 GLN A 30 5.960 -16.005 -11.907 1.00 0.00 O ATOM 530 NE2 GLN A 30 5.727 -14.864 -10.093 1.00 0.00 N ATOM 0 H GLN A 30 7.379 -18.562 -10.809 1.00 0.00 H new ATOM 0 HA GLN A 30 5.292 -18.770 -8.780 1.00 0.00 H new ATOM 0 HB2 GLN A 30 4.815 -18.255 -11.766 1.00 0.00 H new ATOM 0 HB3 GLN A 30 3.556 -18.734 -10.645 1.00 0.00 H new ATOM 0 HG2 GLN A 30 3.323 -16.414 -10.793 1.00 0.00 H new ATOM 0 HG3 GLN A 30 4.178 -16.654 -9.283 1.00 0.00 H new ATOM 0 HE21 GLN A 30 5.253 -14.713 -9.202 1.00 0.00 H new ATOM 0 HE22 GLN A 30 6.476 -14.236 -10.385 1.00 0.00 H new ATOM 539 N HIS A 31 4.597 -21.081 -9.846 1.00 0.00 N ATOM 540 CA HIS A 31 4.404 -22.410 -10.403 1.00 0.00 C ATOM 541 C HIS A 31 3.857 -22.216 -11.800 1.00 0.00 C ATOM 542 O HIS A 31 2.766 -21.669 -11.960 1.00 0.00 O ATOM 543 CB HIS A 31 3.386 -23.219 -9.589 1.00 0.00 C ATOM 544 CG HIS A 31 3.544 -23.084 -8.097 1.00 0.00 C ATOM 545 ND1 HIS A 31 2.604 -22.679 -7.144 1.00 0.00 N ATOM 546 CD2 HIS A 31 4.710 -23.333 -7.457 1.00 0.00 C ATOM 547 CE1 HIS A 31 3.217 -22.683 -5.947 1.00 0.00 C ATOM 548 NE2 HIS A 31 4.490 -23.074 -6.120 1.00 0.00 N ATOM 0 H HIS A 31 3.930 -20.820 -9.120 1.00 0.00 H new ATOM 0 HA HIS A 31 5.348 -22.955 -10.393 1.00 0.00 H new ATOM 0 HB2 HIS A 31 2.381 -22.902 -9.867 1.00 0.00 H new ATOM 0 HB3 HIS A 31 3.475 -24.271 -9.859 1.00 0.00 H new ATOM 0 HD2 HIS A 31 5.633 -23.669 -7.906 1.00 0.00 H new ATOM 0 HE1 HIS A 31 2.762 -22.416 -5.005 1.00 0.00 H new ATOM 0 HE2 HIS A 31 5.185 -23.165 -5.379 1.00 0.00 H new ATOM 556 N GLY A 32 4.569 -22.672 -12.820 1.00 0.00 N ATOM 557 CA GLY A 32 4.090 -22.423 -14.177 1.00 0.00 C ATOM 558 C GLY A 32 2.696 -22.966 -14.449 1.00 0.00 C ATOM 559 O GLY A 32 1.880 -22.302 -15.083 1.00 0.00 O ATOM 0 H GLY A 32 5.442 -23.194 -12.746 1.00 0.00 H new ATOM 0 HA2 GLY A 32 4.093 -21.349 -14.361 1.00 0.00 H new ATOM 0 HA3 GLY A 32 4.788 -22.870 -14.885 1.00 0.00 H new ATOM 563 N VAL A 33 2.371 -24.116 -13.866 1.00 0.00 N ATOM 564 CA VAL A 33 1.081 -24.796 -14.080 1.00 0.00 C ATOM 565 C VAL A 33 -0.105 -24.004 -13.481 1.00 0.00 C ATOM 566 O VAL A 33 -1.247 -24.170 -13.902 1.00 0.00 O ATOM 567 CB VAL A 33 1.203 -26.240 -13.577 1.00 0.00 C ATOM 568 CG1 VAL A 33 1.315 -26.322 -12.047 1.00 0.00 C ATOM 569 CG2 VAL A 33 0.042 -27.130 -14.031 1.00 0.00 C ATOM 0 H VAL A 33 2.993 -24.611 -13.227 1.00 0.00 H new ATOM 0 HA VAL A 33 0.848 -24.836 -15.144 1.00 0.00 H new ATOM 0 HB VAL A 33 2.125 -26.610 -14.025 1.00 0.00 H new ATOM 0 HG11 VAL A 33 1.399 -27.366 -11.744 1.00 0.00 H new ATOM 0 HG12 VAL A 33 2.199 -25.776 -11.717 1.00 0.00 H new ATOM 0 HG13 VAL A 33 0.427 -25.883 -11.593 1.00 0.00 H new ATOM 0 HG21 VAL A 33 0.184 -28.139 -13.644 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -0.896 -26.725 -13.652 1.00 0.00 H new ATOM 0 HG23 VAL A 33 0.011 -27.160 -15.120 1.00 0.00 H new ATOM 579 N CYS A 34 0.177 -23.071 -12.558 1.00 0.00 N ATOM 580 CA CYS A 34 -0.773 -22.092 -12.008 1.00 0.00 C ATOM 581 C CYS A 34 -0.989 -20.885 -12.941 1.00 0.00 C ATOM 582 O CYS A 34 -2.040 -20.250 -12.936 1.00 0.00 O ATOM 583 CB CYS A 34 -0.211 -21.609 -10.682 1.00 0.00 C ATOM 584 SG CYS A 34 -0.185 -22.913 -9.439 1.00 0.00 S ATOM 0 H CYS A 34 1.111 -22.974 -12.159 1.00 0.00 H new ATOM 0 HA CYS A 34 -1.743 -22.575 -11.890 1.00 0.00 H new ATOM 0 HB2 CYS A 34 0.801 -21.233 -10.833 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -0.810 -20.774 -10.318 1.00 0.00 H new ATOM 589 N MET A 35 0.049 -20.561 -13.718 1.00 0.00 N ATOM 590 CA MET A 35 0.158 -19.422 -14.634 1.00 0.00 C ATOM 591 C MET A 35 -0.196 -19.784 -16.096 1.00 0.00 C ATOM 592 O MET A 35 -0.278 -18.897 -16.945 1.00 0.00 O ATOM 593 CB MET A 35 1.599 -18.903 -14.530 1.00 0.00 C ATOM 594 CG MET A 35 2.011 -18.380 -13.145 1.00 0.00 C ATOM 595 SD MET A 35 1.406 -16.702 -12.815 1.00 0.00 S ATOM 596 CE MET A 35 -0.114 -17.012 -11.901 1.00 0.00 C ATOM 0 H MET A 35 0.896 -21.129 -13.723 1.00 0.00 H new ATOM 0 HA MET A 35 -0.564 -18.657 -14.347 1.00 0.00 H new ATOM 0 HB2 MET A 35 2.278 -19.707 -14.813 1.00 0.00 H new ATOM 0 HB3 MET A 35 1.732 -18.102 -15.257 1.00 0.00 H new ATOM 0 HG2 MET A 35 1.630 -19.055 -12.379 1.00 0.00 H new ATOM 0 HG3 MET A 35 3.098 -18.391 -13.067 1.00 0.00 H new ATOM 0 HE1 MET A 35 -0.836 -16.225 -12.119 1.00 0.00 H new ATOM 0 HE2 MET A 35 -0.527 -17.976 -12.198 1.00 0.00 H new ATOM 0 HE3 MET A 35 0.100 -17.023 -10.832 1.00 0.00 H new ATOM 606 N GLY A 36 -0.406 -21.074 -16.407 1.00 0.00 N ATOM 607 CA GLY A 36 -0.681 -21.603 -17.747 1.00 0.00 C ATOM 608 C GLY A 36 0.558 -21.814 -18.608 1.00 0.00 C ATOM 609 O GLY A 36 0.472 -21.751 -19.837 1.00 0.00 O ATOM 0 H GLY A 36 -0.387 -21.806 -15.697 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -1.206 -22.553 -17.648 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -1.355 -20.919 -18.263 1.00 0.00 H new ATOM 613 N LEU A 37 1.708 -22.054 -17.970 1.00 0.00 N ATOM 614 CA LEU A 37 2.979 -22.314 -18.639 1.00 0.00 C ATOM 615 C LEU A 37 3.643 -23.581 -18.067 1.00 0.00 C ATOM 616 O LEU A 37 3.461 -23.950 -16.916 1.00 0.00 O ATOM 617 CB LEU A 37 3.928 -21.096 -18.533 1.00 0.00 C ATOM 618 CG LEU A 37 3.326 -19.669 -18.465 1.00 0.00 C ATOM 619 CD1 LEU A 37 3.793 -18.843 -17.266 1.00 0.00 C ATOM 620 CD2 LEU A 37 3.813 -18.886 -19.662 1.00 0.00 C ATOM 0 H LEU A 37 1.779 -22.072 -16.953 1.00 0.00 H new ATOM 0 HA LEU A 37 2.775 -22.482 -19.696 1.00 0.00 H new ATOM 0 HB2 LEU A 37 4.542 -21.235 -17.643 1.00 0.00 H new ATOM 0 HB3 LEU A 37 4.599 -21.128 -19.391 1.00 0.00 H new ATOM 0 HG LEU A 37 2.247 -19.815 -18.410 1.00 0.00 H new ATOM 0 HD11 LEU A 37 3.324 -17.860 -17.297 1.00 0.00 H new ATOM 0 HD12 LEU A 37 3.512 -19.350 -16.343 1.00 0.00 H new ATOM 0 HD13 LEU A 37 4.876 -18.729 -17.302 1.00 0.00 H new ATOM 0 HD21 LEU A 37 3.399 -17.878 -19.631 1.00 0.00 H new ATOM 0 HD22 LEU A 37 4.901 -18.832 -19.643 1.00 0.00 H new ATOM 0 HD23 LEU A 37 3.490 -19.382 -20.577 1.00 0.00 H new ATOM 632 N LEU A 38 4.431 -24.259 -18.880 1.00 0.00 N ATOM 633 CA LEU A 38 5.196 -25.465 -18.629 1.00 0.00 C ATOM 634 C LEU A 38 6.618 -25.221 -19.117 1.00 0.00 C ATOM 635 O LEU A 38 6.826 -24.316 -19.920 1.00 0.00 O ATOM 636 CB LEU A 38 4.522 -26.577 -19.440 1.00 0.00 C ATOM 637 CG LEU A 38 3.643 -27.550 -18.651 1.00 0.00 C ATOM 638 CD1 LEU A 38 4.589 -28.582 -18.045 1.00 0.00 C ATOM 639 CD2 LEU A 38 2.735 -26.928 -17.597 1.00 0.00 C ATOM 0 H LEU A 38 4.565 -23.941 -19.840 1.00 0.00 H new ATOM 0 HA LEU A 38 5.231 -25.740 -17.575 1.00 0.00 H new ATOM 0 HB2 LEU A 38 3.911 -26.114 -20.215 1.00 0.00 H new ATOM 0 HB3 LEU A 38 5.298 -27.150 -19.947 1.00 0.00 H new ATOM 0 HG LEU A 38 2.923 -27.992 -19.340 1.00 0.00 H new ATOM 0 HD11 LEU A 38 4.015 -29.307 -17.467 1.00 0.00 H new ATOM 0 HD12 LEU A 38 5.125 -29.097 -18.842 1.00 0.00 H new ATOM 0 HD13 LEU A 38 5.303 -28.081 -17.392 1.00 0.00 H new ATOM 0 HD21 LEU A 38 2.161 -27.712 -17.103 1.00 0.00 H new ATOM 0 HD22 LEU A 38 3.341 -26.403 -16.859 1.00 0.00 H new ATOM 0 HD23 LEU A 38 2.053 -26.224 -18.074 1.00 0.00 H new ATOM 651 N GLU A 39 7.565 -26.082 -18.758 1.00 0.00 N ATOM 652 CA GLU A 39 8.917 -26.049 -19.322 1.00 0.00 C ATOM 653 C GLU A 39 8.928 -26.175 -20.856 1.00 0.00 C ATOM 654 O GLU A 39 9.834 -25.642 -21.503 1.00 0.00 O ATOM 655 CB GLU A 39 9.805 -27.116 -18.654 1.00 0.00 C ATOM 656 CG GLU A 39 9.243 -28.543 -18.532 1.00 0.00 C ATOM 657 CD GLU A 39 9.032 -29.265 -19.877 1.00 0.00 C ATOM 658 OE1 GLU A 39 9.990 -29.351 -20.684 1.00 0.00 O ATOM 659 OE2 GLU A 39 7.904 -29.753 -20.127 1.00 0.00 O1- ATOM 0 H GLU A 39 7.421 -26.821 -18.070 1.00 0.00 H new ATOM 0 HA GLU A 39 9.335 -25.067 -19.102 1.00 0.00 H new ATOM 0 HB2 GLU A 39 10.740 -27.171 -19.212 1.00 0.00 H new ATOM 0 HB3 GLU A 39 10.052 -26.766 -17.652 1.00 0.00 H new ATOM 0 HG2 GLU A 39 9.922 -29.136 -17.919 1.00 0.00 H new ATOM 0 HG3 GLU A 39 8.291 -28.501 -18.004 1.00 0.00 H new ATOM 666 N GLU A 40 7.897 -26.789 -21.457 1.00 0.00 N ATOM 667 CA GLU A 40 7.727 -26.782 -22.922 1.00 0.00 C ATOM 668 C GLU A 40 7.416 -25.389 -23.496 1.00 0.00 C ATOM 669 O GLU A 40 7.901 -25.051 -24.579 1.00 0.00 O ATOM 670 CB GLU A 40 6.667 -27.780 -23.428 1.00 0.00 C ATOM 671 CG GLU A 40 5.309 -27.751 -22.710 1.00 0.00 C ATOM 672 CD GLU A 40 4.153 -28.387 -23.515 1.00 0.00 C ATOM 673 OE1 GLU A 40 2.979 -28.234 -23.096 1.00 0.00 O ATOM 674 OE2 GLU A 40 4.386 -29.051 -24.556 1.00 0.00 O1- ATOM 0 H GLU A 40 7.169 -27.296 -20.954 1.00 0.00 H new ATOM 0 HA GLU A 40 8.702 -27.101 -23.290 1.00 0.00 H new ATOM 0 HB2 GLU A 40 6.498 -27.592 -24.488 1.00 0.00 H new ATOM 0 HB3 GLU A 40 7.077 -28.787 -23.345 1.00 0.00 H new ATOM 0 HG2 GLU A 40 5.403 -28.272 -21.757 1.00 0.00 H new ATOM 0 HG3 GLU A 40 5.053 -26.716 -22.483 1.00 0.00 H new ATOM 681 N ASN A 41 6.613 -24.583 -22.789 1.00 0.00 N ATOM 682 CA ASN A 41 6.086 -23.322 -23.315 1.00 0.00 C ATOM 683 C ASN A 41 6.811 -22.049 -22.838 1.00 0.00 C ATOM 684 O ASN A 41 6.382 -20.971 -23.244 1.00 0.00 O ATOM 685 CB ASN A 41 4.592 -23.205 -22.974 1.00 0.00 C ATOM 686 CG ASN A 41 3.635 -24.268 -23.477 1.00 0.00 C ATOM 687 OD1 ASN A 41 3.915 -25.049 -24.376 1.00 0.00 O ATOM 688 ND2 ASN A 41 2.453 -24.310 -22.894 1.00 0.00 N ATOM 0 H ASN A 41 6.312 -24.789 -21.836 1.00 0.00 H new ATOM 0 HA ASN A 41 6.257 -23.372 -24.390 1.00 0.00 H new ATOM 0 HB2 ASN A 41 4.505 -23.172 -21.888 1.00 0.00 H new ATOM 0 HB3 ASN A 41 4.243 -22.244 -23.352 1.00 0.00 H new ATOM 0 HD21 ASN A 41 1.762 -24.998 -23.192 1.00 0.00 H new ATOM 0 HD22 ASN A 41 2.230 -23.654 -22.145 1.00 0.00 H new ATOM 695 N VAL A 42 7.870 -22.123 -22.014 1.00 0.00 N ATOM 696 CA VAL A 42 8.473 -20.943 -21.342 1.00 0.00 C ATOM 697 C VAL A 42 8.835 -19.875 -22.378 1.00 0.00 C ATOM 698 O VAL A 42 9.725 -20.092 -23.211 1.00 0.00 O ATOM 699 CB VAL A 42 9.746 -21.293 -20.553 1.00 0.00 C ATOM 700 CG1 VAL A 42 10.477 -20.066 -19.987 1.00 0.00 C ATOM 701 CG2 VAL A 42 9.417 -22.234 -19.417 1.00 0.00 C ATOM 0 H VAL A 42 8.338 -23.001 -21.790 1.00 0.00 H new ATOM 0 HA VAL A 42 7.724 -20.574 -20.641 1.00 0.00 H new ATOM 0 HB VAL A 42 10.417 -21.769 -21.268 1.00 0.00 H new ATOM 0 HG11 VAL A 42 11.364 -20.390 -19.443 1.00 0.00 H new ATOM 0 HG12 VAL A 42 10.772 -19.409 -20.805 1.00 0.00 H new ATOM 0 HG13 VAL A 42 9.814 -19.527 -19.310 1.00 0.00 H new ATOM 0 HG21 VAL A 42 10.327 -22.473 -18.867 1.00 0.00 H new ATOM 0 HG22 VAL A 42 8.702 -21.758 -18.746 1.00 0.00 H new ATOM 0 HG23 VAL A 42 8.984 -23.150 -19.818 1.00 0.00 H new ATOM 711 N PRO A 43 8.146 -18.719 -22.335 1.00 0.00 N ATOM 712 CA PRO A 43 8.418 -17.617 -23.240 1.00 0.00 C ATOM 713 C PRO A 43 9.638 -16.815 -22.796 1.00 0.00 C ATOM 714 O PRO A 43 10.089 -16.865 -21.650 1.00 0.00 O ATOM 715 CB PRO A 43 7.124 -16.794 -23.226 1.00 0.00 C ATOM 716 CG PRO A 43 6.584 -16.983 -21.817 1.00 0.00 C ATOM 717 CD PRO A 43 6.998 -18.413 -21.481 1.00 0.00 C ATOM 0 HA PRO A 43 8.671 -17.948 -24.247 1.00 0.00 H new ATOM 0 HB2 PRO A 43 7.317 -15.743 -23.442 1.00 0.00 H new ATOM 0 HB3 PRO A 43 6.417 -17.149 -23.976 1.00 0.00 H new ATOM 0 HG2 PRO A 43 7.014 -16.264 -21.120 1.00 0.00 H new ATOM 0 HG3 PRO A 43 5.502 -16.856 -21.779 1.00 0.00 H new ATOM 0 HD2 PRO A 43 7.262 -18.504 -20.427 1.00 0.00 H new ATOM 0 HD3 PRO A 43 6.179 -19.109 -21.666 1.00 0.00 H new ATOM 725 N GLU A 44 10.144 -15.995 -23.704 1.00 0.00 N ATOM 726 CA GLU A 44 11.254 -15.084 -23.452 1.00 0.00 C ATOM 727 C GLU A 44 10.794 -13.971 -22.510 1.00 0.00 C ATOM 728 O GLU A 44 11.535 -13.568 -21.616 1.00 0.00 O ATOM 729 CB GLU A 44 11.754 -14.487 -24.780 1.00 0.00 C ATOM 730 CG GLU A 44 12.358 -15.502 -25.769 1.00 0.00 C ATOM 731 CD GLU A 44 11.338 -16.416 -26.486 1.00 0.00 C ATOM 732 OE1 GLU A 44 10.128 -16.085 -26.566 1.00 0.00 O ATOM 733 OE2 GLU A 44 11.753 -17.494 -26.986 1.00 0.00 O1- ATOM 0 H GLU A 44 9.788 -15.942 -24.658 1.00 0.00 H new ATOM 0 HA GLU A 44 12.074 -15.630 -22.986 1.00 0.00 H new ATOM 0 HB2 GLU A 44 10.922 -13.979 -25.268 1.00 0.00 H new ATOM 0 HB3 GLU A 44 12.505 -13.728 -24.559 1.00 0.00 H new ATOM 0 HG2 GLU A 44 12.924 -14.956 -26.524 1.00 0.00 H new ATOM 0 HG3 GLU A 44 13.068 -16.130 -25.231 1.00 0.00 H new ATOM 740 N LYS A 45 9.522 -13.567 -22.629 1.00 0.00 N ATOM 741 CA LYS A 45 8.868 -12.596 -21.768 1.00 0.00 C ATOM 742 C LYS A 45 7.494 -13.034 -21.268 1.00 0.00 C ATOM 743 O LYS A 45 6.454 -12.645 -21.796 1.00 0.00 O ATOM 744 CB LYS A 45 8.755 -11.256 -22.489 1.00 0.00 C ATOM 745 CG LYS A 45 10.074 -10.475 -22.650 1.00 0.00 C ATOM 746 CD LYS A 45 9.784 -9.045 -23.146 1.00 0.00 C ATOM 747 CE LYS A 45 11.024 -8.143 -23.280 1.00 0.00 C ATOM 748 NZ LYS A 45 11.764 -8.003 -21.995 1.00 0.00 N1+ ATOM 0 H LYS A 45 8.905 -13.926 -23.357 1.00 0.00 H new ATOM 0 HA LYS A 45 9.497 -12.504 -20.883 1.00 0.00 H new ATOM 0 HB2 LYS A 45 8.333 -11.430 -23.479 1.00 0.00 H new ATOM 0 HB3 LYS A 45 8.046 -10.630 -21.947 1.00 0.00 H new ATOM 0 HG2 LYS A 45 10.603 -10.438 -21.697 1.00 0.00 H new ATOM 0 HG3 LYS A 45 10.726 -10.988 -23.357 1.00 0.00 H new ATOM 0 HD2 LYS A 45 9.290 -9.105 -24.116 1.00 0.00 H new ATOM 0 HD3 LYS A 45 9.082 -8.573 -22.459 1.00 0.00 H new ATOM 0 HE2 LYS A 45 11.691 -8.556 -24.037 1.00 0.00 H new ATOM 0 HE3 LYS A 45 10.717 -7.157 -23.629 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 12.043 -7.010 -21.862 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 11.152 -8.300 -21.208 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 12.614 -8.602 -22.017 1.00 0.00 H new ATOM 762 N TYR A 46 7.516 -13.841 -20.213 1.00 0.00 N ATOM 763 CA TYR A 46 6.299 -14.130 -19.453 1.00 0.00 C ATOM 764 C TYR A 46 6.100 -12.997 -18.431 1.00 0.00 C ATOM 765 O TYR A 46 6.983 -12.681 -17.626 1.00 0.00 O ATOM 766 CB TYR A 46 6.336 -15.531 -18.797 1.00 0.00 C ATOM 767 CG TYR A 46 5.733 -15.555 -17.426 1.00 0.00 C ATOM 768 CD1 TYR A 46 4.335 -15.558 -17.262 1.00 0.00 C ATOM 769 CD2 TYR A 46 6.590 -15.547 -16.318 1.00 0.00 C ATOM 770 CE1 TYR A 46 3.794 -15.477 -15.965 1.00 0.00 C ATOM 771 CE2 TYR A 46 6.050 -15.519 -15.024 1.00 0.00 C ATOM 772 CZ TYR A 46 4.653 -15.465 -14.858 1.00 0.00 C ATOM 773 OH TYR A 46 4.128 -15.395 -13.621 1.00 0.00 O ATOM 0 H TYR A 46 8.355 -14.305 -19.864 1.00 0.00 H new ATOM 0 HA TYR A 46 5.441 -14.164 -20.125 1.00 0.00 H new ATOM 0 HB2 TYR A 46 5.804 -16.238 -19.434 1.00 0.00 H new ATOM 0 HB3 TYR A 46 7.370 -15.871 -18.738 1.00 0.00 H new ATOM 0 HD1 TYR A 46 3.685 -15.622 -18.122 1.00 0.00 H new ATOM 0 HD2 TYR A 46 7.661 -15.562 -16.459 1.00 0.00 H new ATOM 0 HE1 TYR A 46 2.725 -15.424 -15.824 1.00 0.00 H new ATOM 0 HE2 TYR A 46 6.700 -15.539 -14.162 1.00 0.00 H new ATOM 0 HH TYR A 46 4.823 -15.122 -12.986 1.00 0.00 H new ATOM 783 N THR A 47 4.922 -12.390 -18.479 1.00 0.00 N ATOM 784 CA THR A 47 4.402 -11.427 -17.505 1.00 0.00 C ATOM 785 C THR A 47 3.513 -12.118 -16.472 1.00 0.00 C ATOM 786 O THR A 47 2.659 -12.925 -16.828 1.00 0.00 O ATOM 787 CB THR A 47 3.601 -10.324 -18.210 1.00 0.00 C ATOM 788 OG1 THR A 47 2.932 -10.766 -19.379 1.00 0.00 O ATOM 789 CG2 THR A 47 4.483 -9.137 -18.580 1.00 0.00 C ATOM 0 H THR A 47 4.264 -12.563 -19.239 1.00 0.00 H new ATOM 0 HA THR A 47 5.256 -10.982 -16.994 1.00 0.00 H new ATOM 0 HB THR A 47 2.848 -10.022 -17.482 1.00 0.00 H new ATOM 0 HG1 THR A 47 2.089 -11.199 -19.130 1.00 0.00 H new ATOM 0 HG21 THR A 47 3.880 -8.377 -19.077 1.00 0.00 H new ATOM 0 HG22 THR A 47 4.925 -8.716 -17.677 1.00 0.00 H new ATOM 0 HG23 THR A 47 5.276 -9.468 -19.251 1.00 0.00 H new ATOM 797 N CYS A 48 3.656 -11.744 -15.195 1.00 0.00 N ATOM 798 CA CYS A 48 2.934 -12.363 -14.080 1.00 0.00 C ATOM 799 C CYS A 48 1.672 -11.586 -13.790 1.00 0.00 C ATOM 800 O CYS A 48 1.706 -10.381 -13.896 1.00 0.00 O ATOM 801 CB CYS A 48 3.836 -12.384 -12.821 1.00 0.00 C ATOM 802 SG CYS A 48 3.885 -10.876 -11.788 1.00 0.00 S ATOM 0 H CYS A 48 4.284 -10.994 -14.905 1.00 0.00 H new ATOM 0 HA CYS A 48 2.669 -13.385 -14.350 1.00 0.00 H new ATOM 0 HB2 CYS A 48 3.513 -13.212 -12.191 1.00 0.00 H new ATOM 0 HB3 CYS A 48 4.854 -12.605 -13.141 1.00 0.00 H new ATOM 807 N TYR A 49 0.601 -12.206 -13.329 1.00 0.00 N ATOM 808 CA TYR A 49 -0.598 -11.538 -12.827 1.00 0.00 C ATOM 809 C TYR A 49 -0.405 -10.267 -11.955 1.00 0.00 C ATOM 810 O TYR A 49 -1.147 -9.306 -12.122 1.00 0.00 O ATOM 811 CB TYR A 49 -1.376 -12.599 -12.064 1.00 0.00 C ATOM 812 CG TYR A 49 -0.810 -12.909 -10.686 1.00 0.00 C ATOM 813 CD1 TYR A 49 0.433 -13.567 -10.553 1.00 0.00 C ATOM 814 CD2 TYR A 49 -1.523 -12.523 -9.534 1.00 0.00 C ATOM 815 CE1 TYR A 49 0.967 -13.802 -9.274 1.00 0.00 C ATOM 816 CE2 TYR A 49 -0.984 -12.757 -8.253 1.00 0.00 C ATOM 817 CZ TYR A 49 0.274 -13.383 -8.120 1.00 0.00 C ATOM 818 OH TYR A 49 0.826 -13.583 -6.892 1.00 0.00 O ATOM 0 H TYR A 49 0.534 -13.223 -13.290 1.00 0.00 H new ATOM 0 HA TYR A 49 -1.120 -11.133 -13.694 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -2.409 -12.270 -11.956 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -1.394 -13.516 -12.653 1.00 0.00 H new ATOM 0 HD1 TYR A 49 0.972 -13.889 -11.432 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -2.487 -12.046 -9.633 1.00 0.00 H new ATOM 0 HE1 TYR A 49 1.916 -14.308 -9.175 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -1.534 -12.457 -7.373 1.00 0.00 H new ATOM 0 HH TYR A 49 0.223 -13.237 -6.202 1.00 0.00 H new ATOM 828 N VAL A 50 0.601 -10.204 -11.075 1.00 0.00 N ATOM 829 CA VAL A 50 0.959 -8.994 -10.305 1.00 0.00 C ATOM 830 C VAL A 50 1.353 -7.820 -11.235 1.00 0.00 C ATOM 831 O VAL A 50 1.085 -6.663 -10.903 1.00 0.00 O ATOM 832 CB VAL A 50 2.011 -9.354 -9.220 1.00 0.00 C ATOM 833 CG1 VAL A 50 3.045 -8.265 -8.936 1.00 0.00 C ATOM 834 CG2 VAL A 50 1.336 -9.750 -7.904 1.00 0.00 C ATOM 0 H VAL A 50 1.202 -11.002 -10.870 1.00 0.00 H new ATOM 0 HA VAL A 50 0.085 -8.624 -9.769 1.00 0.00 H new ATOM 0 HB VAL A 50 2.554 -10.197 -9.647 1.00 0.00 H new ATOM 0 HG11 VAL A 50 3.735 -8.610 -8.166 1.00 0.00 H new ATOM 0 HG12 VAL A 50 3.600 -8.044 -9.848 1.00 0.00 H new ATOM 0 HG13 VAL A 50 2.539 -7.363 -8.592 1.00 0.00 H new ATOM 0 HG21 VAL A 50 2.098 -9.996 -7.164 1.00 0.00 H new ATOM 0 HG22 VAL A 50 0.732 -8.919 -7.540 1.00 0.00 H new ATOM 0 HG23 VAL A 50 0.697 -10.617 -8.069 1.00 0.00 H new ATOM 844 N CYS A 51 1.927 -8.110 -12.413 1.00 0.00 N ATOM 845 CA CYS A 51 2.172 -7.177 -13.507 1.00 0.00 C ATOM 846 C CYS A 51 1.035 -7.181 -14.557 1.00 0.00 C ATOM 847 O CYS A 51 0.394 -6.142 -14.738 1.00 0.00 O ATOM 848 CB CYS A 51 3.539 -7.459 -14.136 1.00 0.00 C ATOM 849 SG CYS A 51 4.925 -7.321 -12.993 1.00 0.00 S ATOM 0 H CYS A 51 2.247 -9.053 -12.633 1.00 0.00 H new ATOM 0 HA CYS A 51 2.184 -6.169 -13.093 1.00 0.00 H new ATOM 0 HB2 CYS A 51 3.531 -8.464 -14.559 1.00 0.00 H new ATOM 0 HB3 CYS A 51 3.695 -6.766 -14.963 1.00 0.00 H new ATOM 854 N GLN A 52 0.773 -8.304 -15.260 1.00 0.00 N ATOM 855 CA GLN A 52 -0.231 -8.306 -16.337 1.00 0.00 C ATOM 856 C GLN A 52 -1.708 -8.470 -15.926 1.00 0.00 C ATOM 857 O GLN A 52 -2.584 -7.965 -16.634 1.00 0.00 O ATOM 858 CB GLN A 52 0.061 -9.444 -17.326 1.00 0.00 C ATOM 859 CG GLN A 52 0.167 -10.880 -16.790 1.00 0.00 C ATOM 860 CD GLN A 52 -0.340 -11.915 -17.801 1.00 0.00 C ATOM 861 OE1 GLN A 52 0.282 -12.139 -18.833 1.00 0.00 O ATOM 862 NE2 GLN A 52 -1.458 -12.589 -17.592 1.00 0.00 N ATOM 0 H GLN A 52 1.233 -9.201 -15.104 1.00 0.00 H new ATOM 0 HA GLN A 52 -0.129 -7.305 -16.756 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -0.722 -9.432 -18.084 1.00 0.00 H new ATOM 0 HB3 GLN A 52 0.998 -9.210 -17.831 1.00 0.00 H new ATOM 0 HG2 GLN A 52 1.206 -11.097 -16.541 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -0.407 -10.965 -15.867 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -2.000 -12.427 -16.743 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -1.778 -13.271 -18.279 1.00 0.00 H new ATOM 871 N ASP A 53 -1.971 -9.185 -14.832 1.00 0.00 N ATOM 872 CA ASP A 53 -3.302 -9.669 -14.393 1.00 0.00 C ATOM 873 C ASP A 53 -3.905 -10.649 -15.434 1.00 0.00 C ATOM 874 O ASP A 53 -4.910 -10.326 -16.114 1.00 0.00 O ATOM 875 CB ASP A 53 -4.247 -8.518 -13.954 1.00 0.00 C ATOM 876 CG ASP A 53 -5.647 -8.982 -13.485 1.00 0.00 C ATOM 877 OD1 ASP A 53 -6.614 -8.189 -13.615 1.00 0.00 O ATOM 878 OD2 ASP A 53 -5.801 -10.121 -12.972 1.00 0.00 O1- ATOM 879 OXT ASP A 53 -3.321 -11.749 -15.590 1.00 0.00 O1- ATOM 0 H ASP A 53 -1.231 -9.462 -14.187 1.00 0.00 H new ATOM 0 HA ASP A 53 -3.169 -10.251 -13.481 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -3.772 -7.963 -13.145 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -4.368 -7.826 -14.787 1.00 0.00 H new TER 884 ASP A 53 ATOM 885 N ALA C 1 12.352 -15.423 -19.595 1.00 0.00 N ATOM 886 CA ALA C 1 11.714 -15.800 -18.296 1.00 0.00 C ATOM 887 C ALA C 1 12.558 -16.922 -17.642 1.00 0.00 C ATOM 888 O ALA C 1 12.590 -18.026 -18.184 1.00 0.00 O ATOM 889 CB ALA C 1 10.245 -16.262 -18.498 1.00 0.00 C ATOM 0 H1 ALA C 1 11.761 -14.718 -20.080 1.00 0.00 H new ATOM 0 H2 ALA C 1 13.294 -15.021 -19.415 1.00 0.00 H new ATOM 0 H3 ALA C 1 12.445 -16.268 -20.194 1.00 0.00 H new ATOM 0 HA ALA C 1 11.685 -14.928 -17.643 1.00 0.00 H new ATOM 0 HB1 ALA C 1 9.812 -16.529 -17.534 1.00 0.00 H new ATOM 0 HB2 ALA C 1 9.667 -15.453 -18.944 1.00 0.00 H new ATOM 0 HB3 ALA C 1 10.224 -17.130 -19.158 1.00 0.00 H new ATOM 897 N ARG C 2 13.290 -16.666 -16.540 1.00 0.00 N ATOM 898 CA ARG C 2 14.144 -17.674 -15.841 1.00 0.00 C ATOM 899 C ARG C 2 13.313 -18.898 -15.420 1.00 0.00 C ATOM 900 O ARG C 2 12.128 -18.742 -15.135 1.00 0.00 O ATOM 901 CB ARG C 2 14.830 -17.005 -14.620 1.00 0.00 C ATOM 902 CG ARG C 2 16.267 -17.410 -14.292 1.00 0.00 C ATOM 903 CD ARG C 2 16.835 -16.507 -13.172 1.00 0.00 C ATOM 904 NE ARG C 2 18.163 -17.002 -12.747 1.00 0.00 N ATOM 905 CZ ARG C 2 18.681 -17.050 -11.531 1.00 0.00 C ATOM 906 NH1 ARG C 2 18.060 -16.630 -10.467 1.00 0.00 N1+ ATOM 907 NH2 ARG C 2 19.877 -17.540 -11.360 1.00 0.00 N ATOM 0 H ARG C 2 13.312 -15.747 -16.098 1.00 0.00 H new ATOM 0 HA ARG C 2 14.915 -18.031 -16.524 1.00 0.00 H new ATOM 0 HB2 ARG C 2 14.815 -15.927 -14.778 1.00 0.00 H new ATOM 0 HB3 ARG C 2 14.218 -17.207 -13.741 1.00 0.00 H new ATOM 0 HG2 ARG C 2 16.296 -18.453 -13.977 1.00 0.00 H new ATOM 0 HG3 ARG C 2 16.888 -17.329 -15.184 1.00 0.00 H new ATOM 0 HD2 ARG C 2 16.918 -15.480 -13.528 1.00 0.00 H new ATOM 0 HD3 ARG C 2 16.153 -16.496 -12.322 1.00 0.00 H new ATOM 0 HE ARG C 2 18.761 -17.355 -13.494 1.00 0.00 H new ATOM 0 HH11 ARG C 2 17.122 -16.238 -10.546 1.00 0.00 H new ATOM 0 HH12 ARG C 2 18.512 -16.693 -9.555 1.00 0.00 H new ATOM 0 HH21 ARG C 2 20.407 -17.883 -12.161 1.00 0.00 H new ATOM 0 HH22 ARG C 2 20.283 -17.580 -10.425 1.00 0.00 H new ATOM 921 N THR C 3 13.914 -20.086 -15.341 1.00 0.00 N ATOM 922 CA THR C 3 13.211 -21.335 -14.957 1.00 0.00 C ATOM 923 C THR C 3 14.061 -22.315 -14.147 1.00 0.00 C ATOM 924 O THR C 3 15.289 -22.325 -14.262 1.00 0.00 O ATOM 925 CB THR C 3 12.586 -22.068 -16.155 1.00 0.00 C ATOM 926 OG1 THR C 3 13.378 -22.000 -17.328 1.00 0.00 O ATOM 927 CG2 THR C 3 11.205 -21.481 -16.448 1.00 0.00 C ATOM 0 H THR C 3 14.905 -20.221 -15.540 1.00 0.00 H new ATOM 0 HA THR C 3 12.412 -20.981 -14.305 1.00 0.00 H new ATOM 0 HB THR C 3 12.514 -23.120 -15.877 1.00 0.00 H new ATOM 0 HG1 THR C 3 12.931 -22.484 -18.053 1.00 0.00 H new ATOM 0 HG21 THR C 3 10.762 -22.001 -17.297 1.00 0.00 H new ATOM 0 HG22 THR C 3 10.565 -21.603 -15.574 1.00 0.00 H new ATOM 0 HG23 THR C 3 11.302 -20.421 -16.682 1.00 0.00 H new HETATM 935 N MLY C 4 13.383 -23.127 -13.321 1.00 0.00 N HETATM 936 CA MLY C 4 13.980 -24.062 -12.368 1.00 0.00 C HETATM 937 CB MLY C 4 14.247 -23.329 -11.029 1.00 0.00 C HETATM 938 CG MLY C 4 12.951 -23.022 -10.267 1.00 0.00 C HETATM 939 CD MLY C 4 13.104 -21.903 -9.220 1.00 0.00 C HETATM 940 CE MLY C 4 13.704 -22.390 -7.885 1.00 0.00 C HETATM 941 NZ MLY C 4 13.735 -21.355 -6.799 1.00 0.00 N HETATM 942 CH1 MLY C 4 14.564 -20.171 -7.173 1.00 0.00 C HETATM 943 CH2 MLY C 4 12.368 -20.903 -6.391 1.00 0.00 C HETATM 944 C MLY C 4 13.083 -25.292 -12.193 1.00 0.00 C HETATM 945 O MLY C 4 11.860 -25.191 -12.290 1.00 0.00 O HETATM 0 HH23 MLY C 4 11.857 -20.469 -7.250 1.00 0.00 H new HETATM 0 HH22 MLY C 4 11.798 -21.756 -6.022 1.00 0.00 H new HETATM 0 HH21 MLY C 4 12.452 -20.155 -5.603 1.00 0.00 H new HETATM 0 HH13 MLY C 4 15.588 -20.490 -7.366 1.00 0.00 H new HETATM 0 HH12 MLY C 4 14.153 -19.708 -8.070 1.00 0.00 H new HETATM 0 HH11 MLY C 4 14.557 -19.449 -6.356 1.00 0.00 H new HETATM 0 HG3 MLY C 4 12.178 -22.737 -10.981 1.00 0.00 H new HETATM 0 HG2 MLY C 4 12.608 -23.929 -9.770 1.00 0.00 H new HETATM 0 HE3 MLY C 4 13.129 -23.248 -7.535 1.00 0.00 H new HETATM 0 HE2 MLY C 4 14.721 -22.739 -8.065 1.00 0.00 H new HETATM 0 HD3 MLY C 4 13.738 -21.117 -9.629 1.00 0.00 H new HETATM 0 HD2 MLY C 4 12.127 -21.458 -9.030 1.00 0.00 H new HETATM 0 HB3 MLY C 4 14.897 -23.942 -10.405 1.00 0.00 H new HETATM 0 HB2 MLY C 4 14.780 -22.399 -11.226 1.00 0.00 H new HETATM 0 HA MLY C 4 14.936 -24.422 -12.748 1.00 0.00 H new ATOM 963 N GLN C 5 13.706 -26.444 -11.904 1.00 0.00 N ATOM 964 CA GLN C 5 13.016 -27.734 -11.714 1.00 0.00 C ATOM 965 C GLN C 5 13.451 -28.469 -10.424 1.00 0.00 C ATOM 966 O GLN C 5 13.332 -29.688 -10.313 1.00 0.00 O ATOM 967 CB GLN C 5 13.148 -28.617 -12.974 1.00 0.00 C ATOM 968 CG GLN C 5 12.484 -28.056 -14.243 1.00 0.00 C ATOM 969 CD GLN C 5 13.273 -26.970 -14.985 1.00 0.00 C ATOM 970 OE1 GLN C 5 12.752 -25.928 -15.362 1.00 0.00 O ATOM 971 NE2 GLN C 5 14.556 -27.154 -15.232 1.00 0.00 N ATOM 0 H GLN C 5 14.718 -26.509 -11.794 1.00 0.00 H new ATOM 0 HA GLN C 5 11.957 -27.515 -11.573 1.00 0.00 H new ATOM 0 HB2 GLN C 5 14.207 -28.775 -13.178 1.00 0.00 H new ATOM 0 HB3 GLN C 5 12.716 -29.594 -12.759 1.00 0.00 H new ATOM 0 HG2 GLN C 5 12.304 -28.882 -14.931 1.00 0.00 H new ATOM 0 HG3 GLN C 5 11.510 -27.649 -13.971 1.00 0.00 H new ATOM 0 HE21 GLN C 5 15.016 -28.013 -14.929 1.00 0.00 H new ATOM 0 HE22 GLN C 5 15.088 -26.437 -15.726 1.00 0.00 H new ATOM 980 N THR C 6 13.968 -27.727 -9.430 1.00 0.00 N ATOM 981 CA THR C 6 14.436 -28.224 -8.107 1.00 0.00 C ATOM 982 C THR C 6 15.613 -29.225 -8.145 1.00 0.00 C ATOM 983 O THR C 6 15.913 -29.877 -7.141 1.00 0.00 O ATOM 984 CB THR C 6 13.271 -28.734 -7.228 1.00 0.00 C ATOM 985 OG1 THR C 6 12.781 -29.988 -7.659 1.00 0.00 O ATOM 986 CG2 THR C 6 12.085 -27.764 -7.180 1.00 0.00 C ATOM 0 H THR C 6 14.080 -26.717 -9.522 1.00 0.00 H new ATOM 0 HA THR C 6 14.858 -27.338 -7.633 1.00 0.00 H new ATOM 0 HB THR C 6 13.705 -28.823 -6.232 1.00 0.00 H new ATOM 0 HG1 THR C 6 12.882 -30.062 -8.631 1.00 0.00 H new ATOM 0 HG21 THR C 6 11.301 -28.179 -6.547 1.00 0.00 H new ATOM 0 HG22 THR C 6 12.413 -26.808 -6.771 1.00 0.00 H new ATOM 0 HG23 THR C 6 11.697 -27.614 -8.187 1.00 0.00 H new ATOM 994 N ALA C 7 16.308 -29.334 -9.285 1.00 0.00 N ATOM 995 CA ALA C 7 17.402 -30.282 -9.530 1.00 0.00 C ATOM 996 C ALA C 7 18.483 -29.712 -10.475 1.00 0.00 C ATOM 997 O ALA C 7 18.255 -28.717 -11.169 1.00 0.00 O ATOM 998 CB ALA C 7 16.793 -31.578 -10.085 1.00 0.00 C ATOM 0 H ALA C 7 16.116 -28.741 -10.093 1.00 0.00 H new ATOM 0 HA ALA C 7 17.917 -30.481 -8.590 1.00 0.00 H new ATOM 0 HB1 ALA C 7 17.587 -32.300 -10.276 1.00 0.00 H new ATOM 0 HB2 ALA C 7 16.093 -31.991 -9.359 1.00 0.00 H new ATOM 0 HB3 ALA C 7 16.266 -31.363 -11.015 1.00 0.00 H new ATOM 1004 N ARG C 8 19.663 -30.360 -10.496 1.00 0.00 N ATOM 1005 CA ARG C 8 20.831 -30.028 -11.350 1.00 0.00 C ATOM 1006 C ARG C 8 21.337 -28.577 -11.188 1.00 0.00 C ATOM 1007 O ARG C 8 21.818 -27.962 -12.141 1.00 0.00 O ATOM 1008 CB ARG C 8 20.565 -30.436 -12.819 1.00 0.00 C ATOM 1009 CG ARG C 8 20.231 -31.931 -12.971 1.00 0.00 C ATOM 1010 CD ARG C 8 20.071 -32.305 -14.449 1.00 0.00 C ATOM 1011 NE ARG C 8 19.728 -33.733 -14.611 1.00 0.00 N ATOM 1012 CZ ARG C 8 20.557 -34.760 -14.696 1.00 0.00 C ATOM 1013 NH1 ARG C 8 21.852 -34.620 -14.642 1.00 0.00 N1+ ATOM 1014 NH2 ARG C 8 20.088 -35.968 -14.836 1.00 0.00 N ATOM 0 H ARG C 8 19.841 -31.164 -9.895 1.00 0.00 H new ATOM 0 HA ARG C 8 21.668 -30.627 -10.993 1.00 0.00 H new ATOM 0 HB2 ARG C 8 19.740 -29.842 -13.213 1.00 0.00 H new ATOM 0 HB3 ARG C 8 21.443 -30.201 -13.421 1.00 0.00 H new ATOM 0 HG2 ARG C 8 21.022 -32.532 -12.522 1.00 0.00 H new ATOM 0 HG3 ARG C 8 19.312 -32.160 -12.432 1.00 0.00 H new ATOM 0 HD2 ARG C 8 19.292 -31.689 -14.899 1.00 0.00 H new ATOM 0 HD3 ARG C 8 20.997 -32.089 -14.983 1.00 0.00 H new ATOM 0 HE ARG C 8 18.733 -33.953 -14.664 1.00 0.00 H new ATOM 0 HH11 ARG C 8 22.260 -33.692 -14.530 1.00 0.00 H new ATOM 0 HH12 ARG C 8 22.457 -35.438 -14.711 1.00 0.00 H new ATOM 0 HH21 ARG C 8 19.081 -36.122 -14.880 1.00 0.00 H new ATOM 0 HH22 ARG C 8 20.728 -36.759 -14.901 1.00 0.00 H new ATOM 1028 N LYS C 9 21.235 -28.031 -9.967 1.00 0.00 N ATOM 1029 CA LYS C 9 21.710 -26.684 -9.594 1.00 0.00 C ATOM 1030 C LYS C 9 23.241 -26.564 -9.733 1.00 0.00 C ATOM 1031 O LYS C 9 23.979 -27.484 -9.374 1.00 0.00 O ATOM 1032 CB LYS C 9 21.242 -26.377 -8.155 1.00 0.00 C ATOM 1033 CG LYS C 9 21.454 -24.909 -7.756 1.00 0.00 C ATOM 1034 CD LYS C 9 21.284 -24.681 -6.244 1.00 0.00 C ATOM 1035 CE LYS C 9 21.884 -23.334 -5.803 1.00 0.00 C ATOM 1036 NZ LYS C 9 23.374 -23.372 -5.718 1.00 0.00 N1+ ATOM 0 H LYS C 9 20.807 -28.528 -9.186 1.00 0.00 H new ATOM 0 HA LYS C 9 21.284 -25.948 -10.276 1.00 0.00 H new ATOM 0 HB2 LYS C 9 20.184 -26.624 -8.062 1.00 0.00 H new ATOM 0 HB3 LYS C 9 21.782 -27.019 -7.459 1.00 0.00 H new ATOM 0 HG2 LYS C 9 22.453 -24.594 -8.058 1.00 0.00 H new ATOM 0 HG3 LYS C 9 20.745 -24.282 -8.297 1.00 0.00 H new ATOM 0 HD2 LYS C 9 20.225 -24.709 -5.988 1.00 0.00 H new ATOM 0 HD3 LYS C 9 21.766 -25.491 -5.697 1.00 0.00 H new ATOM 0 HE2 LYS C 9 21.583 -22.558 -6.507 1.00 0.00 H new ATOM 0 HE3 LYS C 9 21.475 -23.059 -4.831 1.00 0.00 H new ATOM 0 HZ1 LYS C 9 23.738 -22.409 -5.567 1.00 0.00 H new ATOM 0 HZ2 LYS C 9 23.661 -23.979 -4.924 1.00 0.00 H new ATOM 0 HZ3 LYS C 9 23.763 -23.754 -6.604 1.00 0.00 H new ATOM 1050 N SER C 10 23.714 -25.414 -10.216 1.00 0.00 N ATOM 1051 CA SER C 10 25.136 -25.029 -10.229 1.00 0.00 C ATOM 1052 C SER C 10 25.679 -24.687 -8.825 1.00 0.00 C ATOM 1053 O SER C 10 24.912 -24.441 -7.886 1.00 0.00 O ATOM 1054 CB SER C 10 25.335 -23.850 -11.194 1.00 0.00 C ATOM 1055 OG SER C 10 24.560 -22.723 -10.803 1.00 0.00 O ATOM 0 H SER C 10 23.106 -24.702 -10.621 1.00 0.00 H new ATOM 0 HA SER C 10 25.709 -25.890 -10.573 1.00 0.00 H new ATOM 0 HB2 SER C 10 26.390 -23.576 -11.223 1.00 0.00 H new ATOM 0 HB3 SER C 10 25.056 -24.153 -12.203 1.00 0.00 H new ATOM 0 HG SER C 10 24.709 -21.989 -11.435 1.00 0.00 H new ATOM 1061 N THR C 11 27.011 -24.671 -8.672 1.00 0.00 N ATOM 1062 CA THR C 11 27.717 -24.369 -7.406 1.00 0.00 C ATOM 1063 C THR C 11 27.392 -22.962 -6.880 1.00 0.00 C ATOM 1064 O THR C 11 27.694 -21.964 -7.577 1.00 0.00 O ATOM 1065 CB THR C 11 29.235 -24.526 -7.581 1.00 0.00 C ATOM 1066 OG1 THR C 11 29.531 -25.815 -8.091 1.00 0.00 O ATOM 1067 CG2 THR C 11 30.012 -24.344 -6.274 1.00 0.00 C ATOM 0 H THR C 11 27.649 -24.872 -9.442 1.00 0.00 H new ATOM 0 HA THR C 11 27.363 -25.088 -6.667 1.00 0.00 H new ATOM 0 HB THR C 11 29.545 -23.743 -8.273 1.00 0.00 H new ATOM 0 HG1 THR C 11 30.500 -25.908 -8.202 1.00 0.00 H new ATOM 0 HG21 THR C 11 31.078 -24.467 -6.464 1.00 0.00 H new ATOM 0 HG22 THR C 11 29.827 -23.346 -5.877 1.00 0.00 H new ATOM 0 HG23 THR C 11 29.685 -25.089 -5.549 1.00 0.00 H new HETATM 1075 N NH2 C 12 26.818 -22.856 -5.771 1.00 0.00 N TER 1078 NH2 C 12 HETATM 1079 ZN ZN A 800 5.667 -9.454 -12.358 1.00 0.00 ZN HETATM 1080 ZN ZN A 801 0.771 -21.863 -7.578 1.00 0.00 ZN