USER MOD reduce.3.24.130724 H: found=0, std=0, add=419, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 420 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 25 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 62 LYS NZ :NH3+ -156:sc= 0 (180deg=-0.0493) USER MOD Set 2.1: A 14 THR OG1 : rot -121:sc= 0.136 USER MOD Set 2.2: A 18 ASN : amide:sc= 0.645 K(o=0.78,f=-2.5!) USER MOD Single : A 11 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 17 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 20 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0151) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 GLN : amide:sc= -0.907 K(o=-0.91,f=-2.5!) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 SER OG : rot 75:sc= 0.396 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 THR OG1 : rot -96:sc= -0.223 USER MOD Single : A 44 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 SER OG : rot 101:sc= 1.19 USER MOD Single : A 59 GLN : amide:sc=-0.000689 X(o=-0.00069,f=0) USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A 11 -11.370 -12.073 -5.012 1.00 0.00 N ATOM 2 CA GLN A 11 -10.106 -12.484 -4.343 1.00 0.00 C ATOM 3 C GLN A 11 -10.147 -12.174 -2.850 1.00 0.00 C ATOM 4 O GLN A 11 -10.886 -11.295 -2.409 1.00 0.00 O ATOM 5 CB GLN A 11 -8.942 -11.744 -5.006 1.00 0.00 C ATOM 6 CG GLN A 11 -8.307 -12.512 -6.154 1.00 0.00 C ATOM 7 CD GLN A 11 -7.055 -13.256 -5.736 1.00 0.00 C ATOM 8 OE1 GLN A 11 -7.079 -14.467 -5.521 1.00 0.00 O ATOM 9 NE2 GLN A 11 -5.948 -12.530 -5.615 1.00 0.00 N ATOM 0 HA GLN A 11 -9.977 -13.561 -4.450 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -9.297 -10.782 -5.376 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -8.180 -11.535 -4.255 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -9.030 -13.222 -6.555 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -8.061 -11.818 -6.958 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -5.972 -11.528 -5.803 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -5.074 -12.975 -5.334 1.00 0.00 H new ATOM 18 N ALA A 12 -9.347 -12.902 -2.079 1.00 0.00 N ATOM 19 CA ALA A 12 -9.290 -12.705 -0.635 1.00 0.00 C ATOM 20 C ALA A 12 -7.965 -12.075 -0.219 1.00 0.00 C ATOM 21 O ALA A 12 -6.900 -12.651 -0.435 1.00 0.00 O ATOM 22 CB ALA A 12 -9.497 -14.029 0.086 1.00 0.00 C ATOM 0 H ALA A 12 -8.729 -13.634 -2.430 1.00 0.00 H new ATOM 0 HA ALA A 12 -10.091 -12.021 -0.354 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -9.452 -13.868 1.163 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -10.471 -14.439 -0.179 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -8.716 -14.730 -0.209 1.00 0.00 H new ATOM 28 N CYS A 13 -8.039 -10.890 0.381 1.00 0.00 N ATOM 29 CA CYS A 13 -6.839 -10.187 0.828 1.00 0.00 C ATOM 30 C CYS A 13 -6.867 -9.960 2.336 1.00 0.00 C ATOM 31 O CYS A 13 -7.904 -10.120 2.980 1.00 0.00 O ATOM 32 CB CYS A 13 -6.697 -8.849 0.095 1.00 0.00 C ATOM 33 SG CYS A 13 -7.922 -7.587 0.578 1.00 0.00 S ATOM 0 H CYS A 13 -8.913 -10.398 0.568 1.00 0.00 H new ATOM 0 HA CYS A 13 -5.977 -10.811 0.592 1.00 0.00 H new ATOM 0 HB2 CYS A 13 -5.697 -8.454 0.276 1.00 0.00 H new ATOM 0 HB3 CYS A 13 -6.780 -9.026 -0.977 1.00 0.00 H new ATOM 38 N THR A 14 -5.719 -9.588 2.892 1.00 0.00 N ATOM 39 CA THR A 14 -5.609 -9.342 4.324 1.00 0.00 C ATOM 40 C THR A 14 -5.585 -7.846 4.620 1.00 0.00 C ATOM 41 O THR A 14 -4.659 -7.138 4.222 1.00 0.00 O ATOM 42 CB THR A 14 -4.347 -10.005 4.880 1.00 0.00 C ATOM 43 OG1 THR A 14 -4.285 -9.866 6.288 1.00 0.00 O ATOM 44 CG2 THR A 14 -3.068 -9.433 4.305 1.00 0.00 C ATOM 0 H THR A 14 -4.852 -9.450 2.372 1.00 0.00 H new ATOM 0 HA THR A 14 -6.483 -9.775 4.810 1.00 0.00 H new ATOM 0 HB THR A 14 -4.420 -11.053 4.590 1.00 0.00 H new ATOM 0 HG1 THR A 14 -3.461 -9.397 6.534 1.00 0.00 H new ATOM 0 HG21 THR A 14 -2.211 -9.947 4.741 1.00 0.00 H new ATOM 0 HG22 THR A 14 -3.062 -9.570 3.224 1.00 0.00 H new ATOM 0 HG23 THR A 14 -3.009 -8.369 4.536 1.00 0.00 H new ATOM 52 N LEU A 15 -6.607 -7.372 5.325 1.00 0.00 N ATOM 53 CA LEU A 15 -6.706 -5.960 5.681 1.00 0.00 C ATOM 54 C LEU A 15 -5.495 -5.524 6.500 1.00 0.00 C ATOM 55 O LEU A 15 -4.782 -6.358 7.060 1.00 0.00 O ATOM 56 CB LEU A 15 -7.992 -5.699 6.472 1.00 0.00 C ATOM 57 CG LEU A 15 -8.371 -6.788 7.479 1.00 0.00 C ATOM 58 CD1 LEU A 15 -8.859 -6.169 8.780 1.00 0.00 C ATOM 59 CD2 LEU A 15 -9.429 -7.710 6.895 1.00 0.00 C ATOM 0 H LEU A 15 -7.380 -7.946 5.662 1.00 0.00 H new ATOM 0 HA LEU A 15 -6.731 -5.378 4.760 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -7.886 -4.754 7.006 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -8.814 -5.576 5.767 1.00 0.00 H new ATOM 0 HG LEU A 15 -7.481 -7.380 7.695 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -9.123 -6.960 9.482 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -8.069 -5.552 9.208 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -9.735 -5.551 8.583 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -9.686 -8.478 7.625 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -10.319 -7.132 6.648 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -9.042 -8.183 5.992 1.00 0.00 H new ATOM 71 N PRO A 16 -5.242 -4.206 6.586 1.00 0.00 N ATOM 72 CA PRO A 16 -4.112 -3.667 7.346 1.00 0.00 C ATOM 73 C PRO A 16 -4.063 -4.210 8.771 1.00 0.00 C ATOM 74 O PRO A 16 -3.000 -4.259 9.392 1.00 0.00 O ATOM 75 CB PRO A 16 -4.359 -2.149 7.356 1.00 0.00 C ATOM 76 CG PRO A 16 -5.753 -1.963 6.851 1.00 0.00 C ATOM 77 CD PRO A 16 -6.030 -3.137 5.959 1.00 0.00 C ATOM 0 HA PRO A 16 -3.158 -3.946 6.899 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -4.249 -1.741 8.361 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -3.640 -1.631 6.721 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -6.465 -1.923 7.676 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -5.848 -1.026 6.303 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -7.092 -3.381 5.927 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -5.715 -2.950 4.932 1.00 0.00 H new ATOM 85 N ASN A 17 -5.221 -4.621 9.283 1.00 0.00 N ATOM 86 CA ASN A 17 -5.309 -5.165 10.634 1.00 0.00 C ATOM 87 C ASN A 17 -5.020 -6.667 10.644 1.00 0.00 C ATOM 88 O ASN A 17 -4.843 -7.264 11.707 1.00 0.00 O ATOM 89 CB ASN A 17 -6.697 -4.894 11.222 1.00 0.00 C ATOM 90 CG ASN A 17 -6.627 -4.292 12.612 1.00 0.00 C ATOM 91 OD1 ASN A 17 -6.184 -3.156 12.787 1.00 0.00 O ATOM 92 ND2 ASN A 17 -7.066 -5.051 13.610 1.00 0.00 N ATOM 0 H ASN A 17 -6.109 -4.587 8.783 1.00 0.00 H new ATOM 0 HA ASN A 17 -4.556 -4.670 11.247 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -7.242 -4.218 10.563 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -7.261 -5.826 11.260 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -7.044 -4.698 14.567 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -7.425 -5.987 13.419 1.00 0.00 H new ATOM 99 N ASN A 18 -4.975 -7.271 9.459 1.00 0.00 N ATOM 100 CA ASN A 18 -4.707 -8.700 9.335 1.00 0.00 C ATOM 101 C ASN A 18 -5.818 -9.523 9.978 1.00 0.00 C ATOM 102 O ASN A 18 -5.706 -9.943 11.131 1.00 0.00 O ATOM 103 CB ASN A 18 -3.360 -9.049 9.975 1.00 0.00 C ATOM 104 CG ASN A 18 -2.220 -9.016 8.976 1.00 0.00 C ATOM 105 OD1 ASN A 18 -2.434 -9.114 7.768 1.00 0.00 O ATOM 106 ND2 ASN A 18 -0.998 -8.879 9.478 1.00 0.00 N ATOM 0 H ASN A 18 -5.121 -6.792 8.570 1.00 0.00 H new ATOM 0 HA ASN A 18 -4.669 -8.943 8.273 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -3.152 -8.347 10.783 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -3.419 -10.041 10.422 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -0.191 -8.852 8.855 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -0.867 -8.801 10.487 1.00 0.00 H new ATOM 113 N ASP A 19 -6.890 -9.749 9.227 1.00 0.00 N ATOM 114 CA ASP A 19 -8.022 -10.524 9.723 1.00 0.00 C ATOM 115 C ASP A 19 -8.788 -11.174 8.573 1.00 0.00 C ATOM 116 O ASP A 19 -9.974 -11.480 8.701 1.00 0.00 O ATOM 117 CB ASP A 19 -8.962 -9.629 10.532 1.00 0.00 C ATOM 118 CG ASP A 19 -8.392 -9.268 11.890 1.00 0.00 C ATOM 119 OD1 ASP A 19 -7.763 -10.145 12.521 1.00 0.00 O ATOM 120 OD2 ASP A 19 -8.574 -8.112 12.323 1.00 0.00 O ATOM 0 H ASP A 19 -6.999 -9.407 8.272 1.00 0.00 H new ATOM 0 HA ASP A 19 -7.633 -11.313 10.367 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -9.162 -8.716 9.971 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -9.917 -10.137 10.665 1.00 0.00 H new ATOM 125 N LYS A 20 -8.103 -11.387 7.452 1.00 0.00 N ATOM 126 CA LYS A 20 -8.721 -12.003 6.281 1.00 0.00 C ATOM 127 C LYS A 20 -9.857 -11.139 5.744 1.00 0.00 C ATOM 128 O LYS A 20 -10.636 -10.571 6.510 1.00 0.00 O ATOM 129 CB LYS A 20 -9.246 -13.398 6.631 1.00 0.00 C ATOM 130 CG LYS A 20 -8.197 -14.307 7.248 1.00 0.00 C ATOM 131 CD LYS A 20 -8.814 -15.273 8.245 1.00 0.00 C ATOM 132 CE LYS A 20 -9.136 -14.584 9.562 1.00 0.00 C ATOM 133 NZ LYS A 20 -7.917 -14.367 10.388 1.00 0.00 N ATOM 0 H LYS A 20 -7.120 -11.142 7.330 1.00 0.00 H new ATOM 0 HA LYS A 20 -7.961 -12.091 5.505 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -10.081 -13.299 7.324 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -9.635 -13.868 5.728 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -7.692 -14.868 6.461 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -7.439 -13.703 7.746 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -9.724 -15.700 7.824 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -8.127 -16.100 8.424 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -9.615 -13.625 9.362 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -9.851 -15.187 10.122 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -8.190 -13.989 11.317 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -7.418 -15.271 10.515 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -7.290 -13.690 9.910 1.00 0.00 H new ATOM 147 N GLY A 21 -9.947 -11.041 4.420 1.00 0.00 N ATOM 148 CA GLY A 21 -10.991 -10.245 3.807 1.00 0.00 C ATOM 149 C GLY A 21 -11.141 -10.523 2.324 1.00 0.00 C ATOM 150 O GLY A 21 -10.804 -11.609 1.851 1.00 0.00 O ATOM 0 H GLY A 21 -9.315 -11.499 3.763 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -11.938 -10.446 4.308 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -10.771 -9.188 3.954 1.00 0.00 H new ATOM 154 N THR A 22 -11.650 -9.539 1.592 1.00 0.00 N ATOM 155 CA THR A 22 -11.848 -9.675 0.154 1.00 0.00 C ATOM 156 C THR A 22 -11.257 -8.483 -0.588 1.00 0.00 C ATOM 157 O THR A 22 -11.258 -7.364 -0.078 1.00 0.00 O ATOM 158 CB THR A 22 -13.338 -9.806 -0.167 1.00 0.00 C ATOM 159 OG1 THR A 22 -13.995 -10.589 0.814 1.00 0.00 O ATOM 160 CG2 THR A 22 -13.607 -10.440 -1.515 1.00 0.00 C ATOM 0 H THR A 22 -11.934 -8.636 1.972 1.00 0.00 H new ATOM 0 HA THR A 22 -11.334 -10.577 -0.177 1.00 0.00 H new ATOM 0 HB THR A 22 -13.721 -8.786 -0.181 1.00 0.00 H new ATOM 0 HG1 THR A 22 -14.947 -10.660 0.592 1.00 0.00 H new ATOM 0 HG21 THR A 22 -14.683 -10.503 -1.679 1.00 0.00 H new ATOM 0 HG22 THR A 22 -13.155 -9.833 -2.299 1.00 0.00 H new ATOM 0 HG23 THR A 22 -13.177 -11.442 -1.538 1.00 0.00 H new ATOM 168 N CYS A 23 -10.745 -8.727 -1.789 1.00 0.00 N ATOM 169 CA CYS A 23 -10.145 -7.665 -2.590 1.00 0.00 C ATOM 170 C CYS A 23 -10.892 -7.476 -3.905 1.00 0.00 C ATOM 171 O CYS A 23 -11.037 -8.410 -4.693 1.00 0.00 O ATOM 172 CB CYS A 23 -8.673 -7.980 -2.871 1.00 0.00 C ATOM 173 SG CYS A 23 -7.569 -6.536 -2.748 1.00 0.00 S ATOM 0 H CYS A 23 -10.733 -9.647 -2.229 1.00 0.00 H new ATOM 0 HA CYS A 23 -10.214 -6.738 -2.020 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -8.335 -8.743 -2.170 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -8.588 -8.405 -3.871 1.00 0.00 H new ATOM 178 N LYS A 24 -11.366 -6.255 -4.132 1.00 0.00 N ATOM 179 CA LYS A 24 -12.101 -5.927 -5.348 1.00 0.00 C ATOM 180 C LYS A 24 -11.778 -4.508 -5.805 1.00 0.00 C ATOM 181 O LYS A 24 -11.154 -3.740 -5.073 1.00 0.00 O ATOM 182 CB LYS A 24 -13.606 -6.072 -5.116 1.00 0.00 C ATOM 183 CG LYS A 24 -14.104 -5.335 -3.884 1.00 0.00 C ATOM 184 CD LYS A 24 -15.623 -5.319 -3.820 1.00 0.00 C ATOM 185 CE LYS A 24 -16.151 -6.388 -2.877 1.00 0.00 C ATOM 186 NZ LYS A 24 -17.607 -6.222 -2.610 1.00 0.00 N ATOM 0 H LYS A 24 -11.253 -5.473 -3.486 1.00 0.00 H new ATOM 0 HA LYS A 24 -11.796 -6.623 -6.130 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -14.138 -5.700 -5.992 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -13.850 -7.130 -5.020 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -13.706 -5.812 -2.988 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -13.728 -4.312 -3.894 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -15.964 -4.338 -3.488 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -16.032 -5.478 -4.818 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -15.971 -7.373 -3.307 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -15.602 -6.346 -1.936 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -17.929 -6.970 -1.963 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -17.777 -5.292 -2.176 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -18.134 -6.288 -3.504 1.00 0.00 H new ATOM 200 N SER A 25 -12.205 -4.167 -7.015 1.00 0.00 N ATOM 201 CA SER A 25 -11.960 -2.838 -7.564 1.00 0.00 C ATOM 202 C SER A 25 -12.582 -1.763 -6.680 1.00 0.00 C ATOM 203 O SER A 25 -13.223 -2.067 -5.673 1.00 0.00 O ATOM 204 CB SER A 25 -12.523 -2.738 -8.983 1.00 0.00 C ATOM 205 OG SER A 25 -11.918 -3.691 -9.839 1.00 0.00 O ATOM 0 H SER A 25 -12.722 -4.791 -7.634 1.00 0.00 H new ATOM 0 HA SER A 25 -10.882 -2.678 -7.597 1.00 0.00 H new ATOM 0 HB2 SER A 25 -13.601 -2.896 -8.962 1.00 0.00 H new ATOM 0 HB3 SER A 25 -12.355 -1.735 -9.374 1.00 0.00 H new ATOM 0 HG SER A 25 -12.296 -3.608 -10.739 1.00 0.00 H new ATOM 211 N LEU A 26 -12.390 -0.504 -7.062 1.00 0.00 N ATOM 212 CA LEU A 26 -12.935 0.616 -6.304 1.00 0.00 C ATOM 213 C LEU A 26 -14.257 1.088 -6.900 1.00 0.00 C ATOM 214 O LEU A 26 -14.607 2.265 -6.805 1.00 0.00 O ATOM 215 CB LEU A 26 -11.933 1.773 -6.274 1.00 0.00 C ATOM 216 CG LEU A 26 -11.644 2.416 -7.636 1.00 0.00 C ATOM 217 CD1 LEU A 26 -12.203 3.829 -7.692 1.00 0.00 C ATOM 218 CD2 LEU A 26 -10.148 2.421 -7.918 1.00 0.00 C ATOM 0 H LEU A 26 -11.861 -0.234 -7.892 1.00 0.00 H new ATOM 0 HA LEU A 26 -13.120 0.276 -5.285 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -12.309 2.542 -5.599 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -10.995 1.410 -5.854 1.00 0.00 H new ATOM 0 HG LEU A 26 -12.137 1.823 -8.406 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -11.987 4.267 -8.666 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -13.282 3.800 -7.538 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -11.741 4.434 -6.912 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -9.962 2.881 -8.889 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -9.634 2.989 -7.143 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -9.776 1.397 -7.925 1.00 0.00 H new ATOM 230 N LEU A 27 -14.989 0.165 -7.513 1.00 0.00 N ATOM 231 CA LEU A 27 -16.274 0.491 -8.123 1.00 0.00 C ATOM 232 C LEU A 27 -17.301 -0.604 -7.855 1.00 0.00 C ATOM 233 O LEU A 27 -18.150 -0.893 -8.699 1.00 0.00 O ATOM 234 CB LEU A 27 -16.109 0.693 -9.631 1.00 0.00 C ATOM 235 CG LEU A 27 -15.120 1.789 -10.033 1.00 0.00 C ATOM 236 CD1 LEU A 27 -14.423 1.428 -11.336 1.00 0.00 C ATOM 237 CD2 LEU A 27 -15.834 3.127 -10.162 1.00 0.00 C ATOM 0 H LEU A 27 -14.716 -0.814 -7.601 1.00 0.00 H new ATOM 0 HA LEU A 27 -16.634 1.417 -7.675 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -15.785 -0.248 -10.075 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -17.083 0.929 -10.059 1.00 0.00 H new ATOM 0 HG LEU A 27 -14.364 1.875 -9.252 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -13.724 2.219 -11.606 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -13.880 0.491 -11.211 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -15.165 1.315 -12.126 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -15.117 3.896 -10.448 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -16.610 3.053 -10.924 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -16.287 3.391 -9.206 1.00 0.00 H new ATOM 249 N GLN A 28 -17.217 -1.211 -6.676 1.00 0.00 N ATOM 250 CA GLN A 28 -18.140 -2.276 -6.299 1.00 0.00 C ATOM 251 C GLN A 28 -18.509 -2.183 -4.822 1.00 0.00 C ATOM 252 O GLN A 28 -19.679 -2.282 -4.457 1.00 0.00 O ATOM 253 CB GLN A 28 -17.522 -3.643 -6.597 1.00 0.00 C ATOM 254 CG GLN A 28 -17.256 -3.882 -8.075 1.00 0.00 C ATOM 255 CD GLN A 28 -16.555 -5.201 -8.337 1.00 0.00 C ATOM 256 OE1 GLN A 28 -15.506 -5.483 -7.758 1.00 0.00 O ATOM 257 NE2 GLN A 28 -17.132 -6.016 -9.212 1.00 0.00 N ATOM 0 H GLN A 28 -16.521 -0.984 -5.966 1.00 0.00 H new ATOM 0 HA GLN A 28 -19.049 -2.158 -6.888 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -16.585 -3.736 -6.048 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -18.188 -4.422 -6.226 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -18.201 -3.863 -8.618 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -16.647 -3.067 -8.467 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -18.002 -5.741 -9.668 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -16.706 -6.917 -9.428 1.00 0.00 H new ATOM 266 N CYS A 29 -17.500 -1.995 -3.976 1.00 0.00 N ATOM 267 CA CYS A 29 -17.721 -1.891 -2.537 1.00 0.00 C ATOM 268 C CYS A 29 -18.451 -0.599 -2.185 1.00 0.00 C ATOM 269 O CYS A 29 -17.915 0.496 -2.367 1.00 0.00 O ATOM 270 CB CYS A 29 -16.388 -1.955 -1.789 1.00 0.00 C ATOM 271 SG CYS A 29 -16.375 -3.127 -0.393 1.00 0.00 S ATOM 0 H CYS A 29 -16.524 -1.912 -4.261 1.00 0.00 H new ATOM 0 HA CYS A 29 -18.344 -2.732 -2.232 1.00 0.00 H new ATOM 0 HB2 CYS A 29 -15.602 -2.234 -2.491 1.00 0.00 H new ATOM 0 HB3 CYS A 29 -16.144 -0.960 -1.417 1.00 0.00 H new ATOM 276 N ASP A 30 -19.669 -0.732 -1.674 1.00 0.00 N ATOM 277 CA ASP A 30 -20.464 0.427 -1.289 1.00 0.00 C ATOM 278 C ASP A 30 -19.778 1.197 -0.167 1.00 0.00 C ATOM 279 O ASP A 30 -19.907 2.417 -0.065 1.00 0.00 O ATOM 280 CB ASP A 30 -21.864 -0.010 -0.849 1.00 0.00 C ATOM 281 CG ASP A 30 -22.958 0.812 -1.500 1.00 0.00 C ATOM 282 OD1 ASP A 30 -23.364 0.469 -2.631 1.00 0.00 O ATOM 283 OD2 ASP A 30 -23.409 1.799 -0.880 1.00 0.00 O ATOM 0 H ASP A 30 -20.127 -1.630 -1.517 1.00 0.00 H new ATOM 0 HA ASP A 30 -20.557 1.083 -2.155 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -22.008 -1.062 -1.097 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -21.945 0.076 0.235 1.00 0.00 H new ATOM 288 N VAL A 31 -19.042 0.473 0.672 1.00 0.00 N ATOM 289 CA VAL A 31 -18.331 1.085 1.786 1.00 0.00 C ATOM 290 C VAL A 31 -17.273 2.064 1.285 1.00 0.00 C ATOM 291 O VAL A 31 -17.067 3.126 1.870 1.00 0.00 O ATOM 292 CB VAL A 31 -17.657 0.021 2.677 1.00 0.00 C ATOM 293 CG1 VAL A 31 -16.629 -0.772 1.886 1.00 0.00 C ATOM 294 CG2 VAL A 31 -17.020 0.669 3.898 1.00 0.00 C ATOM 0 H VAL A 31 -18.924 -0.538 0.600 1.00 0.00 H new ATOM 0 HA VAL A 31 -19.070 1.624 2.379 1.00 0.00 H new ATOM 0 HB VAL A 31 -18.425 -0.672 3.022 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -16.166 -1.516 2.534 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -17.119 -1.272 1.051 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -15.863 -0.097 1.505 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -16.550 -0.098 4.513 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -16.267 1.388 3.577 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -17.786 1.181 4.479 1.00 0.00 H new ATOM 304 N ALA A 32 -16.606 1.698 0.199 1.00 0.00 N ATOM 305 CA ALA A 32 -15.573 2.547 -0.381 1.00 0.00 C ATOM 306 C ALA A 32 -16.160 3.866 -0.870 1.00 0.00 C ATOM 307 O ALA A 32 -15.528 4.915 -0.759 1.00 0.00 O ATOM 308 CB ALA A 32 -14.872 1.822 -1.519 1.00 0.00 C ATOM 0 H ALA A 32 -16.761 0.821 -0.298 1.00 0.00 H new ATOM 0 HA ALA A 32 -14.841 2.771 0.395 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -14.103 2.468 -1.943 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -14.411 0.910 -1.140 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -15.598 1.568 -2.291 1.00 0.00 H new ATOM 314 N SER A 33 -17.369 3.804 -1.413 1.00 0.00 N ATOM 315 CA SER A 33 -18.042 4.992 -1.923 1.00 0.00 C ATOM 316 C SER A 33 -18.380 5.963 -0.797 1.00 0.00 C ATOM 317 O SER A 33 -18.214 7.174 -0.940 1.00 0.00 O ATOM 318 CB SER A 33 -19.318 4.600 -2.672 1.00 0.00 C ATOM 319 OG SER A 33 -19.693 5.601 -3.603 1.00 0.00 O ATOM 0 H SER A 33 -17.905 2.942 -1.512 1.00 0.00 H new ATOM 0 HA SER A 33 -17.360 5.491 -2.611 1.00 0.00 H new ATOM 0 HB2 SER A 33 -19.162 3.655 -3.193 1.00 0.00 H new ATOM 0 HB3 SER A 33 -20.127 4.441 -1.959 1.00 0.00 H new ATOM 0 HG SER A 33 -20.510 5.325 -4.069 1.00 0.00 H new ATOM 325 N LYS A 34 -18.858 5.427 0.320 1.00 0.00 N ATOM 326 CA LYS A 34 -19.219 6.255 1.464 1.00 0.00 C ATOM 327 C LYS A 34 -17.992 6.966 2.033 1.00 0.00 C ATOM 328 O LYS A 34 -18.094 8.078 2.553 1.00 0.00 O ATOM 329 CB LYS A 34 -19.903 5.413 2.549 1.00 0.00 C ATOM 330 CG LYS A 34 -18.975 4.452 3.276 1.00 0.00 C ATOM 331 CD LYS A 34 -19.371 4.288 4.735 1.00 0.00 C ATOM 332 CE LYS A 34 -20.015 2.935 4.991 1.00 0.00 C ATOM 333 NZ LYS A 34 -21.199 3.042 5.890 1.00 0.00 N ATOM 0 H LYS A 34 -19.004 4.427 0.458 1.00 0.00 H new ATOM 0 HA LYS A 34 -19.923 7.013 1.121 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -20.357 6.083 3.279 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -20.712 4.843 2.093 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -18.996 3.481 2.781 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -17.950 4.819 3.215 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -18.489 4.397 5.366 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -20.064 5.081 5.016 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -20.319 2.493 4.042 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -19.281 2.263 5.436 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -21.608 2.098 6.039 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -20.905 3.440 6.805 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -21.911 3.663 5.455 1.00 0.00 H new ATOM 347 N ILE A 35 -16.834 6.321 1.929 1.00 0.00 N ATOM 348 CA ILE A 35 -15.592 6.899 2.430 1.00 0.00 C ATOM 349 C ILE A 35 -15.177 8.107 1.597 1.00 0.00 C ATOM 350 O ILE A 35 -14.736 9.122 2.136 1.00 0.00 O ATOM 351 CB ILE A 35 -14.448 5.864 2.430 1.00 0.00 C ATOM 352 CG1 ILE A 35 -14.851 4.627 3.233 1.00 0.00 C ATOM 353 CG2 ILE A 35 -13.174 6.476 2.997 1.00 0.00 C ATOM 354 CD1 ILE A 35 -14.220 3.347 2.727 1.00 0.00 C ATOM 0 H ILE A 35 -16.730 5.400 1.503 1.00 0.00 H new ATOM 0 HA ILE A 35 -15.779 7.216 3.456 1.00 0.00 H new ATOM 0 HB ILE A 35 -14.255 5.562 1.401 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -14.571 4.773 4.276 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -15.936 4.523 3.206 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -12.378 5.731 2.989 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -12.878 7.330 2.388 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -13.353 6.805 4.021 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -14.550 2.510 3.343 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -14.521 3.177 1.693 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -13.135 3.431 2.780 1.00 0.00 H new ATOM 366 N ILE A 36 -15.323 7.988 0.283 1.00 0.00 N ATOM 367 CA ILE A 36 -14.966 9.069 -0.627 1.00 0.00 C ATOM 368 C ILE A 36 -15.827 10.301 -0.372 1.00 0.00 C ATOM 369 O ILE A 36 -15.354 11.433 -0.469 1.00 0.00 O ATOM 370 CB ILE A 36 -15.120 8.636 -2.100 1.00 0.00 C ATOM 371 CG1 ILE A 36 -14.289 7.379 -2.372 1.00 0.00 C ATOM 372 CG2 ILE A 36 -14.710 9.766 -3.036 1.00 0.00 C ATOM 373 CD1 ILE A 36 -12.796 7.626 -2.381 1.00 0.00 C ATOM 0 H ILE A 36 -15.686 7.153 -0.176 1.00 0.00 H new ATOM 0 HA ILE A 36 -13.921 9.315 -0.440 1.00 0.00 H new ATOM 0 HB ILE A 36 -16.169 8.404 -2.287 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -14.520 6.631 -1.614 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -14.585 6.960 -3.334 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -14.825 9.442 -4.070 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -15.342 10.635 -2.856 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -13.669 10.030 -2.853 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -12.274 6.690 -2.580 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -12.552 8.350 -3.158 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -12.486 8.016 -1.411 1.00 0.00 H new ATOM 385 N SER A 37 -17.094 10.071 -0.044 1.00 0.00 N ATOM 386 CA SER A 37 -18.022 11.161 0.227 1.00 0.00 C ATOM 387 C SER A 37 -17.728 11.803 1.580 1.00 0.00 C ATOM 388 O SER A 37 -17.972 12.994 1.780 1.00 0.00 O ATOM 389 CB SER A 37 -19.464 10.652 0.195 1.00 0.00 C ATOM 390 OG SER A 37 -19.665 9.760 -0.888 1.00 0.00 O ATOM 0 H SER A 37 -17.501 9.140 0.040 1.00 0.00 H new ATOM 0 HA SER A 37 -17.893 11.915 -0.549 1.00 0.00 H new ATOM 0 HB2 SER A 37 -19.696 10.148 1.133 1.00 0.00 H new ATOM 0 HB3 SER A 37 -20.149 11.495 0.108 1.00 0.00 H new ATOM 0 HG SER A 37 -19.246 8.898 -0.684 1.00 0.00 H new ATOM 396 N LYS A 38 -17.202 11.007 2.506 1.00 0.00 N ATOM 397 CA LYS A 38 -16.875 11.497 3.840 1.00 0.00 C ATOM 398 C LYS A 38 -15.769 12.544 3.779 1.00 0.00 C ATOM 399 O LYS A 38 -15.845 13.582 4.437 1.00 0.00 O ATOM 400 CB LYS A 38 -16.447 10.336 4.741 1.00 0.00 C ATOM 401 CG LYS A 38 -17.565 9.808 5.623 1.00 0.00 C ATOM 402 CD LYS A 38 -17.480 10.378 7.031 1.00 0.00 C ATOM 403 CE LYS A 38 -17.600 11.892 7.027 1.00 0.00 C ATOM 404 NZ LYS A 38 -17.838 12.436 8.393 1.00 0.00 N ATOM 0 H LYS A 38 -16.993 10.020 2.357 1.00 0.00 H new ATOM 0 HA LYS A 38 -17.767 11.963 4.258 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -16.071 9.523 4.119 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -15.621 10.662 5.372 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -18.529 10.064 5.183 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -17.513 8.720 5.666 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -18.272 9.951 7.646 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -16.532 10.088 7.485 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -16.688 12.327 6.617 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -18.418 12.189 6.371 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -17.914 13.472 8.346 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -18.721 12.041 8.775 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -17.045 12.175 9.014 1.00 0.00 H new ATOM 418 N LYS A 39 -14.745 12.264 2.985 1.00 0.00 N ATOM 419 CA LYS A 39 -13.619 13.179 2.834 1.00 0.00 C ATOM 420 C LYS A 39 -13.144 13.223 1.384 1.00 0.00 C ATOM 421 O LYS A 39 -12.083 12.693 1.052 1.00 0.00 O ATOM 422 CB LYS A 39 -12.468 12.757 3.750 1.00 0.00 C ATOM 423 CG LYS A 39 -12.839 12.743 5.225 1.00 0.00 C ATOM 424 CD LYS A 39 -11.902 13.614 6.048 1.00 0.00 C ATOM 425 CE LYS A 39 -12.342 13.691 7.502 1.00 0.00 C ATOM 426 NZ LYS A 39 -12.359 15.092 8.004 1.00 0.00 N ATOM 0 H LYS A 39 -14.669 11.409 2.434 1.00 0.00 H new ATOM 0 HA LYS A 39 -13.952 14.178 3.117 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -12.129 11.763 3.459 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -11.628 13.436 3.601 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -13.864 13.095 5.346 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -12.807 11.720 5.599 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -10.890 13.213 5.994 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -11.870 14.617 5.623 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -13.337 13.257 7.604 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -11.669 13.093 8.117 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -12.664 15.101 8.998 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -11.404 15.498 7.931 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -13.020 15.657 7.434 1.00 0.00 H new ATOM 440 N PRO A 40 -13.928 13.857 0.496 1.00 0.00 N ATOM 441 CA PRO A 40 -13.585 13.968 -0.926 1.00 0.00 C ATOM 442 C PRO A 40 -12.205 14.581 -1.143 1.00 0.00 C ATOM 443 O PRO A 40 -11.956 15.726 -0.765 1.00 0.00 O ATOM 444 CB PRO A 40 -14.672 14.890 -1.489 1.00 0.00 C ATOM 445 CG PRO A 40 -15.817 14.748 -0.547 1.00 0.00 C ATOM 446 CD PRO A 40 -15.210 14.515 0.808 1.00 0.00 C ATOM 0 HA PRO A 40 -13.544 12.992 -1.410 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -14.327 15.923 -1.540 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -14.954 14.598 -2.501 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -16.437 15.644 -0.548 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -16.459 13.916 -0.836 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -15.061 15.450 1.348 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -15.845 13.884 1.430 1.00 0.00 H new ATOM 454 N ARG A 41 -11.311 13.812 -1.755 1.00 0.00 N ATOM 455 CA ARG A 41 -9.957 14.279 -2.025 1.00 0.00 C ATOM 456 C ARG A 41 -9.238 14.647 -0.730 1.00 0.00 C ATOM 457 O ARG A 41 -9.545 15.662 -0.105 1.00 0.00 O ATOM 458 CB ARG A 41 -9.991 15.486 -2.966 1.00 0.00 C ATOM 459 CG ARG A 41 -9.651 15.144 -4.407 1.00 0.00 C ATOM 460 CD ARG A 41 -9.888 16.327 -5.331 1.00 0.00 C ATOM 461 NE ARG A 41 -8.688 17.147 -5.489 1.00 0.00 N ATOM 462 CZ ARG A 41 -7.596 16.746 -6.135 1.00 0.00 C ATOM 463 NH1 ARG A 41 -7.547 15.538 -6.683 1.00 0.00 N ATOM 464 NH2 ARG A 41 -6.549 17.554 -6.232 1.00 0.00 N ATOM 0 H ARG A 41 -11.500 12.862 -2.074 1.00 0.00 H new ATOM 0 HA ARG A 41 -9.408 13.468 -2.504 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -10.984 15.934 -2.932 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -9.289 16.238 -2.605 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -8.608 14.833 -4.472 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -10.256 14.299 -4.734 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -10.211 15.966 -6.307 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -10.697 16.941 -4.934 1.00 0.00 H new ATOM 0 HE ARG A 41 -8.688 18.081 -5.080 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -8.349 14.912 -6.610 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -6.707 15.236 -7.177 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -6.581 18.483 -5.811 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -5.712 17.247 -6.727 1.00 0.00 H new ATOM 478 N THR A 42 -8.278 13.817 -0.337 1.00 0.00 N ATOM 479 CA THR A 42 -7.513 14.054 0.879 1.00 0.00 C ATOM 480 C THR A 42 -6.216 13.254 0.861 1.00 0.00 C ATOM 481 O THR A 42 -6.199 12.089 0.466 1.00 0.00 O ATOM 482 CB THR A 42 -8.342 13.682 2.109 1.00 0.00 C ATOM 483 OG1 THR A 42 -9.255 12.645 1.803 1.00 0.00 O ATOM 484 CG2 THR A 42 -9.135 14.842 2.670 1.00 0.00 C ATOM 0 H THR A 42 -8.012 12.973 -0.845 1.00 0.00 H new ATOM 0 HA THR A 42 -7.266 15.115 0.928 1.00 0.00 H new ATOM 0 HB THR A 42 -7.618 13.362 2.859 1.00 0.00 H new ATOM 0 HG1 THR A 42 -10.131 13.031 1.594 1.00 0.00 H new ATOM 0 HG21 THR A 42 -9.700 14.509 3.541 1.00 0.00 H new ATOM 0 HG22 THR A 42 -8.454 15.641 2.963 1.00 0.00 H new ATOM 0 HG23 THR A 42 -9.823 15.213 1.911 1.00 0.00 H new ATOM 492 N ALA A 43 -5.132 13.888 1.296 1.00 0.00 N ATOM 493 CA ALA A 43 -3.829 13.235 1.331 1.00 0.00 C ATOM 494 C ALA A 43 -3.892 11.934 2.124 1.00 0.00 C ATOM 495 O ALA A 43 -3.176 10.978 1.827 1.00 0.00 O ATOM 496 CB ALA A 43 -2.788 14.170 1.927 1.00 0.00 C ATOM 0 H ALA A 43 -5.130 14.852 1.629 1.00 0.00 H new ATOM 0 HA ALA A 43 -3.540 12.994 0.308 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -1.819 13.670 1.948 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -2.718 15.072 1.319 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -3.079 14.439 2.942 1.00 0.00 H new ATOM 502 N GLN A 44 -4.753 11.908 3.134 1.00 0.00 N ATOM 503 CA GLN A 44 -4.911 10.727 3.972 1.00 0.00 C ATOM 504 C GLN A 44 -5.641 9.619 3.220 1.00 0.00 C ATOM 505 O GLN A 44 -5.415 8.436 3.468 1.00 0.00 O ATOM 506 CB GLN A 44 -5.670 11.079 5.253 1.00 0.00 C ATOM 507 CG GLN A 44 -5.225 10.274 6.464 1.00 0.00 C ATOM 508 CD GLN A 44 -5.266 11.082 7.746 1.00 0.00 C ATOM 509 OE1 GLN A 44 -4.421 11.948 7.976 1.00 0.00 O ATOM 510 NE2 GLN A 44 -6.251 10.800 8.592 1.00 0.00 N ATOM 0 H GLN A 44 -5.352 12.692 3.392 1.00 0.00 H new ATOM 0 HA GLN A 44 -3.917 10.366 4.237 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -5.538 12.140 5.464 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -6.736 10.917 5.091 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -5.866 9.399 6.570 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -4.211 9.909 6.301 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -6.930 10.074 8.361 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -6.329 11.309 9.472 1.00 0.00 H new ATOM 519 N ASP A 45 -6.516 10.011 2.304 1.00 0.00 N ATOM 520 CA ASP A 45 -7.275 9.047 1.518 1.00 0.00 C ATOM 521 C ASP A 45 -6.372 8.321 0.529 1.00 0.00 C ATOM 522 O ASP A 45 -6.558 7.134 0.258 1.00 0.00 O ATOM 523 CB ASP A 45 -8.413 9.747 0.772 1.00 0.00 C ATOM 524 CG ASP A 45 -9.373 8.764 0.130 1.00 0.00 C ATOM 525 OD1 ASP A 45 -9.075 8.286 -0.985 1.00 0.00 O ATOM 526 OD2 ASP A 45 -10.423 8.474 0.742 1.00 0.00 O ATOM 0 H ASP A 45 -6.718 10.987 2.087 1.00 0.00 H new ATOM 0 HA ASP A 45 -7.699 8.311 2.202 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -8.960 10.385 1.466 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -7.995 10.397 0.003 1.00 0.00 H new ATOM 531 N GLU A 46 -5.396 9.041 -0.011 1.00 0.00 N ATOM 532 CA GLU A 46 -4.466 8.464 -0.975 1.00 0.00 C ATOM 533 C GLU A 46 -3.569 7.422 -0.318 1.00 0.00 C ATOM 534 O GLU A 46 -3.344 6.347 -0.874 1.00 0.00 O ATOM 535 CB GLU A 46 -3.614 9.562 -1.613 1.00 0.00 C ATOM 536 CG GLU A 46 -4.429 10.616 -2.345 1.00 0.00 C ATOM 537 CD GLU A 46 -3.560 11.607 -3.097 1.00 0.00 C ATOM 538 OE1 GLU A 46 -2.524 11.184 -3.655 1.00 0.00 O ATOM 539 OE2 GLU A 46 -3.916 12.802 -3.128 1.00 0.00 O ATOM 0 H GLU A 46 -5.228 10.024 0.202 1.00 0.00 H new ATOM 0 HA GLU A 46 -5.050 7.970 -1.751 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -3.021 10.047 -0.838 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -2.913 9.106 -2.312 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -5.104 10.126 -3.046 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -5.049 11.153 -1.628 1.00 0.00 H new ATOM 546 N LYS A 47 -3.062 7.742 0.866 1.00 0.00 N ATOM 547 CA LYS A 47 -2.193 6.821 1.589 1.00 0.00 C ATOM 548 C LYS A 47 -2.975 5.601 2.062 1.00 0.00 C ATOM 549 O LYS A 47 -2.464 4.480 2.055 1.00 0.00 O ATOM 550 CB LYS A 47 -1.515 7.518 2.774 1.00 0.00 C ATOM 551 CG LYS A 47 -2.481 8.055 3.816 1.00 0.00 C ATOM 552 CD LYS A 47 -1.978 7.799 5.228 1.00 0.00 C ATOM 553 CE LYS A 47 -2.539 6.503 5.790 1.00 0.00 C ATOM 554 NZ LYS A 47 -2.781 6.590 7.256 1.00 0.00 N ATOM 0 H LYS A 47 -3.236 8.626 1.344 1.00 0.00 H new ATOM 0 HA LYS A 47 -1.415 6.487 0.903 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -0.835 6.815 3.254 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -0.909 8.342 2.398 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -2.620 9.126 3.667 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -3.456 7.586 3.686 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -0.889 7.755 5.226 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -2.262 8.630 5.873 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -3.473 6.262 5.282 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -1.845 5.688 5.585 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -3.163 5.686 7.599 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -1.886 6.795 7.744 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -3.463 7.350 7.451 1.00 0.00 H new ATOM 568 N PHE A 48 -4.220 5.825 2.468 1.00 0.00 N ATOM 569 CA PHE A 48 -5.077 4.747 2.940 1.00 0.00 C ATOM 570 C PHE A 48 -5.417 3.787 1.805 1.00 0.00 C ATOM 571 O PHE A 48 -5.525 2.579 2.012 1.00 0.00 O ATOM 572 CB PHE A 48 -6.362 5.316 3.548 1.00 0.00 C ATOM 573 CG PHE A 48 -6.802 4.606 4.797 1.00 0.00 C ATOM 574 CD1 PHE A 48 -6.000 4.606 5.927 1.00 0.00 C ATOM 575 CD2 PHE A 48 -8.015 3.938 4.839 1.00 0.00 C ATOM 576 CE1 PHE A 48 -6.403 3.954 7.078 1.00 0.00 C ATOM 577 CE2 PHE A 48 -8.422 3.285 5.986 1.00 0.00 C ATOM 578 CZ PHE A 48 -7.615 3.293 7.108 1.00 0.00 C ATOM 0 H PHE A 48 -4.658 6.746 2.479 1.00 0.00 H new ATOM 0 HA PHE A 48 -4.535 4.195 3.708 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -6.211 6.371 3.774 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -7.160 5.260 2.808 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -5.051 5.120 5.909 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -8.649 3.928 3.965 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -5.770 3.962 7.953 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -9.370 2.768 6.006 1.00 0.00 H new ATOM 0 HZ PHE A 48 -7.932 2.783 8.006 1.00 0.00 H new ATOM 588 N LEU A 49 -5.583 4.334 0.607 1.00 0.00 N ATOM 589 CA LEU A 49 -5.909 3.529 -0.561 1.00 0.00 C ATOM 590 C LEU A 49 -4.748 2.604 -0.917 1.00 0.00 C ATOM 591 O LEU A 49 -4.952 1.442 -1.272 1.00 0.00 O ATOM 592 CB LEU A 49 -6.262 4.442 -1.743 1.00 0.00 C ATOM 593 CG LEU A 49 -5.881 3.914 -3.127 1.00 0.00 C ATOM 594 CD1 LEU A 49 -6.526 2.558 -3.378 1.00 0.00 C ATOM 595 CD2 LEU A 49 -6.283 4.907 -4.206 1.00 0.00 C ATOM 0 H LEU A 49 -5.497 5.333 0.420 1.00 0.00 H new ATOM 0 HA LEU A 49 -6.774 2.907 -0.331 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -7.336 4.626 -1.728 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -5.772 5.404 -1.594 1.00 0.00 H new ATOM 0 HG LEU A 49 -4.799 3.790 -3.162 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -6.244 2.198 -4.367 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -6.187 1.848 -2.623 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -7.610 2.655 -3.323 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -6.004 4.514 -5.184 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -7.361 5.064 -4.172 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -5.772 5.855 -4.037 1.00 0.00 H new ATOM 607 N ARG A 50 -3.532 3.127 -0.819 1.00 0.00 N ATOM 608 CA ARG A 50 -2.337 2.352 -1.128 1.00 0.00 C ATOM 609 C ARG A 50 -2.137 1.230 -0.114 1.00 0.00 C ATOM 610 O ARG A 50 -1.757 0.115 -0.473 1.00 0.00 O ATOM 611 CB ARG A 50 -1.106 3.260 -1.151 1.00 0.00 C ATOM 612 CG ARG A 50 -1.327 4.567 -1.897 1.00 0.00 C ATOM 613 CD ARG A 50 -0.335 4.735 -3.037 1.00 0.00 C ATOM 614 NE ARG A 50 -0.558 5.976 -3.777 1.00 0.00 N ATOM 615 CZ ARG A 50 -0.155 7.173 -3.355 1.00 0.00 C ATOM 616 NH1 ARG A 50 0.490 7.295 -2.200 1.00 0.00 N ATOM 617 NH2 ARG A 50 -0.398 8.250 -4.087 1.00 0.00 N ATOM 0 H ARG A 50 -3.347 4.087 -0.527 1.00 0.00 H new ATOM 0 HA ARG A 50 -2.470 1.906 -2.114 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -0.810 3.482 -0.126 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -0.278 2.723 -1.613 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -2.343 4.595 -2.291 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -1.231 5.403 -1.204 1.00 0.00 H new ATOM 0 HD2 ARG A 50 0.680 4.727 -2.639 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -0.417 3.887 -3.717 1.00 0.00 H new ATOM 0 HE ARG A 50 -1.051 5.922 -4.668 1.00 0.00 H new ATOM 0 HH11 ARG A 50 0.679 6.469 -1.632 1.00 0.00 H new ATOM 0 HH12 ARG A 50 0.796 8.214 -1.882 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -0.894 8.163 -4.974 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -0.089 9.167 -3.764 1.00 0.00 H new ATOM 631 N GLU A 51 -2.394 1.535 1.151 1.00 0.00 N ATOM 632 CA GLU A 51 -2.243 0.556 2.223 1.00 0.00 C ATOM 633 C GLU A 51 -3.359 -0.482 2.175 1.00 0.00 C ATOM 634 O GLU A 51 -3.161 -1.637 2.554 1.00 0.00 O ATOM 635 CB GLU A 51 -2.235 1.255 3.583 1.00 0.00 C ATOM 636 CG GLU A 51 -1.099 2.249 3.751 1.00 0.00 C ATOM 637 CD GLU A 51 0.248 1.572 3.919 1.00 0.00 C ATOM 638 OE1 GLU A 51 0.270 0.383 4.297 1.00 0.00 O ATOM 639 OE2 GLU A 51 1.279 2.233 3.671 1.00 0.00 O ATOM 0 H GLU A 51 -2.709 2.454 1.462 1.00 0.00 H new ATOM 0 HA GLU A 51 -1.291 0.043 2.081 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -3.184 1.774 3.721 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -2.167 0.502 4.368 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -1.065 2.907 2.882 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -1.296 2.878 4.619 1.00 0.00 H new ATOM 646 N SER A 52 -4.531 -0.064 1.710 1.00 0.00 N ATOM 647 CA SER A 52 -5.678 -0.961 1.613 1.00 0.00 C ATOM 648 C SER A 52 -5.817 -1.516 0.200 1.00 0.00 C ATOM 649 O SER A 52 -6.927 -1.668 -0.310 1.00 0.00 O ATOM 650 CB SER A 52 -6.958 -0.229 2.019 1.00 0.00 C ATOM 651 OG SER A 52 -6.717 0.672 3.084 1.00 0.00 O ATOM 0 H SER A 52 -4.712 0.889 1.395 1.00 0.00 H new ATOM 0 HA SER A 52 -5.515 -1.796 2.294 1.00 0.00 H new ATOM 0 HB2 SER A 52 -7.356 0.315 1.162 1.00 0.00 H new ATOM 0 HB3 SER A 52 -7.716 -0.954 2.317 1.00 0.00 H new ATOM 0 HG SER A 52 -6.640 1.583 2.731 1.00 0.00 H new ATOM 657 N ALA A 53 -4.685 -1.814 -0.426 1.00 0.00 N ATOM 658 CA ALA A 53 -4.681 -2.352 -1.782 1.00 0.00 C ATOM 659 C ALA A 53 -3.796 -3.591 -1.879 1.00 0.00 C ATOM 660 O ALA A 53 -2.602 -3.538 -1.588 1.00 0.00 O ATOM 661 CB ALA A 53 -4.217 -1.293 -2.769 1.00 0.00 C ATOM 0 H ALA A 53 -3.758 -1.693 -0.017 1.00 0.00 H new ATOM 0 HA ALA A 53 -5.701 -2.645 -2.032 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -4.219 -1.709 -3.777 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -4.891 -0.437 -2.728 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -3.208 -0.972 -2.511 1.00 0.00 H new ATOM 667 N CYS A 54 -4.392 -4.706 -2.290 1.00 0.00 N ATOM 668 CA CYS A 54 -3.658 -5.958 -2.427 1.00 0.00 C ATOM 669 C CYS A 54 -2.865 -5.983 -3.731 1.00 0.00 C ATOM 670 O CYS A 54 -3.103 -6.821 -4.600 1.00 0.00 O ATOM 671 CB CYS A 54 -4.621 -7.145 -2.376 1.00 0.00 C ATOM 672 SG CYS A 54 -5.879 -7.139 -3.695 1.00 0.00 S ATOM 0 H CYS A 54 -5.381 -4.768 -2.534 1.00 0.00 H new ATOM 0 HA CYS A 54 -2.957 -6.034 -1.596 1.00 0.00 H new ATOM 0 HB2 CYS A 54 -4.046 -8.069 -2.441 1.00 0.00 H new ATOM 0 HB3 CYS A 54 -5.124 -7.150 -1.409 1.00 0.00 H new ATOM 677 N GLY A 55 -1.922 -5.055 -3.860 1.00 0.00 N ATOM 678 CA GLY A 55 -1.109 -4.985 -5.059 1.00 0.00 C ATOM 679 C GLY A 55 -0.889 -3.561 -5.526 1.00 0.00 C ATOM 680 O GLY A 55 -1.307 -2.611 -4.863 1.00 0.00 O ATOM 0 H GLY A 55 -1.707 -4.350 -3.155 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -0.144 -5.455 -4.868 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -1.590 -5.555 -5.854 1.00 0.00 H new ATOM 684 N PHE A 56 -0.232 -3.409 -6.671 1.00 0.00 N ATOM 685 CA PHE A 56 0.043 -2.090 -7.226 1.00 0.00 C ATOM 686 C PHE A 56 -0.045 -2.109 -8.747 1.00 0.00 C ATOM 687 O PHE A 56 0.885 -2.540 -9.429 1.00 0.00 O ATOM 688 CB PHE A 56 1.428 -1.606 -6.786 1.00 0.00 C ATOM 689 CG PHE A 56 1.389 -0.640 -5.636 1.00 0.00 C ATOM 690 CD1 PHE A 56 0.837 0.621 -5.792 1.00 0.00 C ATOM 691 CD2 PHE A 56 1.904 -0.996 -4.400 1.00 0.00 C ATOM 692 CE1 PHE A 56 0.799 1.511 -4.735 1.00 0.00 C ATOM 693 CE2 PHE A 56 1.869 -0.110 -3.340 1.00 0.00 C ATOM 694 CZ PHE A 56 1.316 1.145 -3.507 1.00 0.00 C ATOM 0 H PHE A 56 0.120 -4.184 -7.233 1.00 0.00 H new ATOM 0 HA PHE A 56 -0.711 -1.400 -6.847 1.00 0.00 H new ATOM 0 HB2 PHE A 56 2.033 -2.468 -6.505 1.00 0.00 H new ATOM 0 HB3 PHE A 56 1.924 -1.131 -7.632 1.00 0.00 H new ATOM 0 HD1 PHE A 56 0.432 0.912 -6.750 1.00 0.00 H new ATOM 0 HD2 PHE A 56 2.337 -1.976 -4.264 1.00 0.00 H new ATOM 0 HE1 PHE A 56 0.366 2.491 -4.869 1.00 0.00 H new ATOM 0 HE2 PHE A 56 2.274 -0.399 -2.381 1.00 0.00 H new ATOM 0 HZ PHE A 56 1.288 1.838 -2.680 1.00 0.00 H new ATOM 704 N ASP A 57 -1.169 -1.637 -9.276 1.00 0.00 N ATOM 705 CA ASP A 57 -1.382 -1.598 -10.718 1.00 0.00 C ATOM 706 C ASP A 57 -1.348 -0.164 -11.234 1.00 0.00 C ATOM 707 O ASP A 57 -1.347 0.787 -10.452 1.00 0.00 O ATOM 708 CB ASP A 57 -2.718 -2.249 -11.076 1.00 0.00 C ATOM 709 CG ASP A 57 -2.591 -3.744 -11.305 1.00 0.00 C ATOM 710 OD1 ASP A 57 -1.634 -4.157 -11.994 1.00 0.00 O ATOM 711 OD2 ASP A 57 -3.447 -4.498 -10.798 1.00 0.00 O ATOM 0 H ASP A 57 -1.948 -1.275 -8.726 1.00 0.00 H new ATOM 0 HA ASP A 57 -0.575 -2.156 -11.194 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -3.434 -2.067 -10.275 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -3.119 -1.779 -11.974 1.00 0.00 H new ATOM 716 N GLY A 58 -1.320 -0.015 -12.555 1.00 0.00 N ATOM 717 CA GLY A 58 -1.287 1.307 -13.152 1.00 0.00 C ATOM 718 C GLY A 58 -2.535 1.619 -13.954 1.00 0.00 C ATOM 719 O GLY A 58 -2.881 2.785 -14.146 1.00 0.00 O ATOM 0 H GLY A 58 -1.320 -0.787 -13.222 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -1.169 2.053 -12.366 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -0.414 1.387 -13.800 1.00 0.00 H new ATOM 723 N GLN A 59 -3.211 0.576 -14.427 1.00 0.00 N ATOM 724 CA GLN A 59 -4.426 0.749 -15.217 1.00 0.00 C ATOM 725 C GLN A 59 -5.637 0.176 -14.490 1.00 0.00 C ATOM 726 O GLN A 59 -6.733 0.736 -14.549 1.00 0.00 O ATOM 727 CB GLN A 59 -4.272 0.075 -16.582 1.00 0.00 C ATOM 728 CG GLN A 59 -3.691 0.990 -17.649 1.00 0.00 C ATOM 729 CD GLN A 59 -2.213 1.260 -17.442 1.00 0.00 C ATOM 730 OE1 GLN A 59 -1.809 2.391 -17.173 1.00 0.00 O ATOM 731 NE2 GLN A 59 -1.398 0.219 -17.568 1.00 0.00 N ATOM 0 H GLN A 59 -2.939 -0.396 -14.278 1.00 0.00 H new ATOM 0 HA GLN A 59 -4.584 1.818 -15.361 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -3.630 -0.800 -16.476 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -5.247 -0.283 -16.913 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -3.841 0.539 -18.630 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -4.233 1.935 -17.647 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -1.777 -0.701 -17.792 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -0.393 0.340 -17.441 1.00 0.00 H new ATOM 740 N THR A 60 -5.437 -0.946 -13.806 1.00 0.00 N ATOM 741 CA THR A 60 -6.516 -1.596 -13.069 1.00 0.00 C ATOM 742 C THR A 60 -6.308 -1.470 -11.563 1.00 0.00 C ATOM 743 O THR A 60 -5.658 -2.314 -10.946 1.00 0.00 O ATOM 744 CB THR A 60 -6.608 -3.072 -13.461 1.00 0.00 C ATOM 745 OG1 THR A 60 -6.753 -3.212 -14.863 1.00 0.00 O ATOM 746 CG2 THR A 60 -7.767 -3.794 -12.804 1.00 0.00 C ATOM 0 H THR A 60 -4.538 -1.424 -13.746 1.00 0.00 H new ATOM 0 HA THR A 60 -7.449 -1.096 -13.328 1.00 0.00 H new ATOM 0 HB THR A 60 -5.677 -3.521 -13.115 1.00 0.00 H new ATOM 0 HG1 THR A 60 -6.808 -4.163 -15.093 1.00 0.00 H new ATOM 0 HG21 THR A 60 -7.775 -4.836 -13.124 1.00 0.00 H new ATOM 0 HG22 THR A 60 -7.657 -3.748 -11.721 1.00 0.00 H new ATOM 0 HG23 THR A 60 -8.704 -3.318 -13.094 1.00 0.00 H new ATOM 754 N PRO A 61 -6.862 -0.411 -10.946 1.00 0.00 N ATOM 755 CA PRO A 61 -6.735 -0.184 -9.503 1.00 0.00 C ATOM 756 C PRO A 61 -7.527 -1.202 -8.689 1.00 0.00 C ATOM 757 O PRO A 61 -8.549 -1.714 -9.143 1.00 0.00 O ATOM 758 CB PRO A 61 -7.311 1.220 -9.310 1.00 0.00 C ATOM 759 CG PRO A 61 -8.252 1.403 -10.451 1.00 0.00 C ATOM 760 CD PRO A 61 -7.657 0.644 -11.603 1.00 0.00 C ATOM 0 HA PRO A 61 -5.704 -0.284 -9.163 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -7.826 1.309 -8.354 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -6.525 1.975 -9.320 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -9.243 1.023 -10.204 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -8.367 2.459 -10.697 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -8.429 0.223 -12.247 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -7.035 1.285 -12.228 1.00 0.00 H new ATOM 768 N LYS A 62 -7.047 -1.493 -7.483 1.00 0.00 N ATOM 769 CA LYS A 62 -7.715 -2.454 -6.611 1.00 0.00 C ATOM 770 C LYS A 62 -7.743 -1.958 -5.168 1.00 0.00 C ATOM 771 O LYS A 62 -6.961 -1.088 -4.782 1.00 0.00 O ATOM 772 CB LYS A 62 -7.012 -3.811 -6.681 1.00 0.00 C ATOM 773 CG LYS A 62 -7.941 -4.991 -6.447 1.00 0.00 C ATOM 774 CD LYS A 62 -8.979 -5.109 -7.552 1.00 0.00 C ATOM 775 CE LYS A 62 -9.506 -6.531 -7.668 1.00 0.00 C ATOM 776 NZ LYS A 62 -10.583 -6.641 -8.691 1.00 0.00 N ATOM 0 H LYS A 62 -6.202 -1.079 -7.089 1.00 0.00 H new ATOM 0 HA LYS A 62 -8.743 -2.564 -6.957 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -6.543 -3.917 -7.659 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -6.213 -3.836 -5.940 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -7.358 -5.910 -6.394 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -8.442 -4.876 -5.486 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -9.806 -4.428 -7.351 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -8.539 -4.804 -8.501 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -8.687 -7.202 -7.929 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -9.889 -6.857 -6.701 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -11.182 -7.464 -8.477 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -11.163 -5.778 -8.679 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -10.157 -6.759 -9.632 1.00 0.00 H new ATOM 790 N VAL A 63 -8.648 -2.522 -4.378 1.00 0.00 N ATOM 791 CA VAL A 63 -8.784 -2.148 -2.977 1.00 0.00 C ATOM 792 C VAL A 63 -9.165 -3.353 -2.126 1.00 0.00 C ATOM 793 O VAL A 63 -9.680 -4.348 -2.639 1.00 0.00 O ATOM 794 CB VAL A 63 -9.846 -1.047 -2.789 1.00 0.00 C ATOM 795 CG1 VAL A 63 -9.838 -0.535 -1.357 1.00 0.00 C ATOM 796 CG2 VAL A 63 -9.615 0.091 -3.772 1.00 0.00 C ATOM 0 H VAL A 63 -9.301 -3.243 -4.686 1.00 0.00 H new ATOM 0 HA VAL A 63 -7.815 -1.766 -2.655 1.00 0.00 H new ATOM 0 HB VAL A 63 -10.827 -1.476 -2.990 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -10.594 0.242 -1.244 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -10.057 -1.357 -0.675 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -8.857 -0.122 -1.124 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -10.374 0.859 -3.624 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -8.627 0.521 -3.606 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -9.678 -0.290 -4.791 1.00 0.00 H new ATOM 806 N CYS A 64 -8.908 -3.264 -0.826 1.00 0.00 N ATOM 807 CA CYS A 64 -9.226 -4.354 0.089 1.00 0.00 C ATOM 808 C CYS A 64 -10.506 -4.063 0.865 1.00 0.00 C ATOM 809 O CYS A 64 -10.620 -3.039 1.538 1.00 0.00 O ATOM 810 CB CYS A 64 -8.069 -4.589 1.061 1.00 0.00 C ATOM 811 SG CYS A 64 -6.874 -5.848 0.503 1.00 0.00 S ATOM 0 H CYS A 64 -8.481 -2.450 -0.383 1.00 0.00 H new ATOM 0 HA CYS A 64 -9.381 -5.255 -0.505 1.00 0.00 H new ATOM 0 HB2 CYS A 64 -7.543 -3.647 1.217 1.00 0.00 H new ATOM 0 HB3 CYS A 64 -8.475 -4.891 2.026 1.00 0.00 H new ATOM 816 N CYS A 65 -11.466 -4.976 0.766 1.00 0.00 N ATOM 817 CA CYS A 65 -12.741 -4.831 1.457 1.00 0.00 C ATOM 818 C CYS A 65 -13.035 -6.069 2.306 1.00 0.00 C ATOM 819 O CYS A 65 -13.221 -7.162 1.773 1.00 0.00 O ATOM 820 CB CYS A 65 -13.868 -4.615 0.444 1.00 0.00 C ATOM 821 SG CYS A 65 -14.518 -2.913 0.402 1.00 0.00 S ATOM 0 H CYS A 65 -11.384 -5.828 0.211 1.00 0.00 H new ATOM 0 HA CYS A 65 -12.680 -3.963 2.114 1.00 0.00 H new ATOM 0 HB2 CYS A 65 -13.504 -4.878 -0.549 1.00 0.00 H new ATOM 0 HB3 CYS A 65 -14.685 -5.298 0.675 1.00 0.00 H new ATOM 826 N PRO A 66 -13.082 -5.918 3.642 1.00 0.00 N ATOM 827 CA PRO A 66 -13.355 -7.037 4.550 1.00 0.00 C ATOM 828 C PRO A 66 -14.815 -7.480 4.499 1.00 0.00 C ATOM 829 O PRO A 66 -15.532 -7.409 5.497 1.00 0.00 O ATOM 830 CB PRO A 66 -13.016 -6.464 5.928 1.00 0.00 C ATOM 831 CG PRO A 66 -13.240 -4.999 5.790 1.00 0.00 C ATOM 832 CD PRO A 66 -12.872 -4.652 4.373 1.00 0.00 C ATOM 0 HA PRO A 66 -12.780 -7.925 4.290 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -13.653 -6.891 6.703 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -11.985 -6.683 6.206 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -14.279 -4.743 5.997 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -12.627 -4.443 6.499 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -13.500 -3.853 3.980 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -11.839 -4.312 4.298 1.00 0.00 H new TER 840 PRO A 66