USER MOD reduce.3.24.130724 H: found=0, std=0, add=503, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 500 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 NoAdj-H: A 102 HIS HD1 : A 102 HIS ND1 : A 1 ZNZN :(H bumps) USER MOD NoAdj-H: A 140 HIS HD1 : A 140 HIS ND1 : A 2 ZNZN :(H bumps) USER MOD Set 1.1: A 108 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 127 HIS : no HD1:sc= -10.8! C(o=-27!,f=-27!) USER MOD Set 1.3: A 128 GLN : amide:sc= -16.1! C(o=-27!,f=-28!) USER MOD Set 2.1: A 107 HIS :FLIP no HD1:sc= -17.9! C(o=-19!,f=-18!) USER MOD Set 2.2: A 109 TYR OH : rot 180:sc=-0.00517 USER MOD Set 2.3: A 113 THR OG1 : rot 180:sc= 0 USER MOD Single : A 94 GLN : amide:sc= -0.0694 X(o=-0.069,f=-0.54) USER MOD Single : A 95 THR OG1 : rot 38:sc= 0.753 USER MOD Single : A 100 ASN : amide:sc= 0 X(o=0,f=-0.097) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 SER OG : rot 180:sc= 0.0463 USER MOD Single : A 111 SER OG : rot 63:sc= 0.886 USER MOD Single : A 117 HIS :FLIP no HD1:sc= -0.564 F(o=-1.8,f=-0.56) USER MOD Single : A 120 SER OG : rot 91:sc= 0.241 USER MOD Single : A 123 TYR OH : rot 30:sc= -0.223 USER MOD Single : A 130 MET CE :methyl 147:sc= -0.646 (180deg=-1.75!) USER MOD Single : A 131 LYS NZ :NH3+ 164:sc= 0 (180deg=-0.0797) USER MOD Single : A 133 SER OG : rot 67:sc= -2.05! USER MOD Single : A 134 CYS SG : rot 180:sc= -0.392 USER MOD Single : A 137 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 138 ASN : amide:sc= -1.05 K(o=-1.1,f=-2.1!) USER MOD Single : A 146 SER OG : rot 180:sc= 0 USER MOD Single : A 149 SER OG : rot 71:sc= -0.305! USER MOD Single : A 155 HIS : no HE2:sc= -0.686 K(o=-0.69,f=-2.2!) USER MOD Single : A 156 THR OG1 : rot 180:sc= -0.0488 USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A 94 -21.612 19.538 -0.732 1.00 0.00 N ATOM 2 CA GLN A 94 -22.133 18.161 -0.967 1.00 0.00 C ATOM 3 C GLN A 94 -21.260 17.458 -2.009 1.00 0.00 C ATOM 4 O GLN A 94 -20.796 16.354 -1.801 1.00 0.00 O ATOM 5 CB GLN A 94 -23.573 18.241 -1.478 1.00 0.00 C ATOM 6 CG GLN A 94 -24.469 18.833 -0.389 1.00 0.00 C ATOM 7 CD GLN A 94 -25.710 17.956 -0.215 1.00 0.00 C ATOM 8 OE1 GLN A 94 -26.211 17.396 -1.169 1.00 0.00 O ATOM 9 NE2 GLN A 94 -26.232 17.813 0.972 1.00 0.00 N ATOM 0 HA GLN A 94 -22.110 17.599 -0.034 1.00 0.00 H new ATOM 0 HB2 GLN A 94 -23.618 18.858 -2.376 1.00 0.00 H new ATOM 0 HB3 GLN A 94 -23.927 17.248 -1.755 1.00 0.00 H new ATOM 0 HG2 GLN A 94 -23.922 18.897 0.551 1.00 0.00 H new ATOM 0 HG3 GLN A 94 -24.763 19.848 -0.657 1.00 0.00 H new ATOM 0 HE21 GLN A 94 -25.812 18.283 1.774 1.00 0.00 H new ATOM 0 HE22 GLN A 94 -27.060 17.231 1.098 1.00 0.00 H new ATOM 20 N THR A 95 -21.033 18.088 -3.129 1.00 0.00 N ATOM 21 CA THR A 95 -20.189 17.455 -4.181 1.00 0.00 C ATOM 22 C THR A 95 -18.712 17.610 -3.813 1.00 0.00 C ATOM 23 O THR A 95 -18.196 18.708 -3.732 1.00 0.00 O ATOM 24 CB THR A 95 -20.455 18.135 -5.526 1.00 0.00 C ATOM 25 OG1 THR A 95 -20.159 19.520 -5.419 1.00 0.00 O ATOM 26 CG2 THR A 95 -21.923 17.953 -5.912 1.00 0.00 C ATOM 0 H THR A 95 -21.395 19.013 -3.361 1.00 0.00 H new ATOM 0 HA THR A 95 -20.435 16.396 -4.255 1.00 0.00 H new ATOM 0 HB THR A 95 -19.824 17.685 -6.292 1.00 0.00 H new ATOM 0 HG1 THR A 95 -19.373 19.643 -4.847 1.00 0.00 H new ATOM 0 HG21 THR A 95 -22.110 18.438 -6.870 1.00 0.00 H new ATOM 0 HG22 THR A 95 -22.149 16.890 -5.993 1.00 0.00 H new ATOM 0 HG23 THR A 95 -22.558 18.401 -5.148 1.00 0.00 H new ATOM 34 N ASP A 96 -18.028 16.523 -3.587 1.00 0.00 N ATOM 35 CA ASP A 96 -16.586 16.611 -3.223 1.00 0.00 C ATOM 36 C ASP A 96 -15.791 15.576 -4.024 1.00 0.00 C ATOM 37 O ASP A 96 -16.149 14.418 -4.088 1.00 0.00 O ATOM 38 CB ASP A 96 -16.422 16.334 -1.727 1.00 0.00 C ATOM 39 CG ASP A 96 -17.289 17.307 -0.928 1.00 0.00 C ATOM 40 OD1 ASP A 96 -17.673 18.322 -1.486 1.00 0.00 O ATOM 41 OD2 ASP A 96 -17.555 17.022 0.228 1.00 0.00 O ATOM 0 H ASP A 96 -18.405 15.577 -3.639 1.00 0.00 H new ATOM 0 HA ASP A 96 -16.214 17.609 -3.452 1.00 0.00 H new ATOM 0 HB2 ASP A 96 -16.710 15.307 -1.503 1.00 0.00 H new ATOM 0 HB3 ASP A 96 -15.376 16.442 -1.439 1.00 0.00 H new ATOM 46 N ASP A 97 -14.714 15.988 -4.634 1.00 0.00 N ATOM 47 CA ASP A 97 -13.895 15.031 -5.430 1.00 0.00 C ATOM 48 C ASP A 97 -13.706 13.733 -4.634 1.00 0.00 C ATOM 49 O ASP A 97 -12.927 13.693 -3.702 1.00 0.00 O ATOM 50 CB ASP A 97 -12.526 15.653 -5.716 1.00 0.00 C ATOM 51 CG ASP A 97 -11.800 15.918 -4.396 1.00 0.00 C ATOM 52 OD1 ASP A 97 -12.144 16.886 -3.737 1.00 0.00 O ATOM 53 OD2 ASP A 97 -10.912 15.149 -4.065 1.00 0.00 O ATOM 0 H ASP A 97 -14.366 16.946 -4.616 1.00 0.00 H new ATOM 0 HA ASP A 97 -14.402 14.811 -6.369 1.00 0.00 H new ATOM 0 HB2 ASP A 97 -11.934 14.984 -6.341 1.00 0.00 H new ATOM 0 HB3 ASP A 97 -12.646 16.584 -6.270 1.00 0.00 H new ATOM 58 N PRO A 98 -14.423 12.708 -5.024 1.00 0.00 N ATOM 59 CA PRO A 98 -14.352 11.394 -4.359 1.00 0.00 C ATOM 60 C PRO A 98 -13.093 10.641 -4.798 1.00 0.00 C ATOM 61 O PRO A 98 -12.775 10.571 -5.969 1.00 0.00 O ATOM 62 CB PRO A 98 -15.614 10.676 -4.843 1.00 0.00 C ATOM 63 CG PRO A 98 -16.028 11.367 -6.164 1.00 0.00 C ATOM 64 CD PRO A 98 -15.369 12.759 -6.158 1.00 0.00 C ATOM 0 HA PRO A 98 -14.300 11.466 -3.273 1.00 0.00 H new ATOM 0 HB2 PRO A 98 -15.420 9.615 -5.003 1.00 0.00 H new ATOM 0 HB3 PRO A 98 -16.410 10.746 -4.102 1.00 0.00 H new ATOM 0 HG2 PRO A 98 -15.698 10.786 -7.025 1.00 0.00 H new ATOM 0 HG3 PRO A 98 -17.112 11.452 -6.233 1.00 0.00 H new ATOM 0 HD2 PRO A 98 -14.854 12.960 -7.097 1.00 0.00 H new ATOM 0 HD3 PRO A 98 -16.108 13.549 -6.025 1.00 0.00 H new ATOM 72 N ARG A 99 -12.373 10.078 -3.866 1.00 0.00 N ATOM 73 CA ARG A 99 -11.136 9.331 -4.230 1.00 0.00 C ATOM 74 C ARG A 99 -11.097 8.009 -3.461 1.00 0.00 C ATOM 75 O ARG A 99 -10.951 7.985 -2.255 1.00 0.00 O ATOM 76 CB ARG A 99 -9.908 10.168 -3.867 1.00 0.00 C ATOM 77 CG ARG A 99 -9.076 10.427 -5.123 1.00 0.00 C ATOM 78 CD ARG A 99 -8.682 11.904 -5.181 1.00 0.00 C ATOM 79 NE ARG A 99 -7.678 12.191 -4.120 1.00 0.00 N ATOM 80 CZ ARG A 99 -6.568 12.810 -4.421 1.00 0.00 C ATOM 81 NH1 ARG A 99 -5.688 12.233 -5.192 1.00 0.00 N ATOM 82 NH2 ARG A 99 -6.341 14.006 -3.951 1.00 0.00 N ATOM 0 H ARG A 99 -12.588 10.103 -2.869 1.00 0.00 H new ATOM 0 HA ARG A 99 -11.134 9.130 -5.301 1.00 0.00 H new ATOM 0 HB2 ARG A 99 -10.218 11.114 -3.422 1.00 0.00 H new ATOM 0 HB3 ARG A 99 -9.307 9.647 -3.121 1.00 0.00 H new ATOM 0 HG2 ARG A 99 -8.183 9.802 -5.115 1.00 0.00 H new ATOM 0 HG3 ARG A 99 -9.647 10.157 -6.012 1.00 0.00 H new ATOM 0 HD2 ARG A 99 -8.270 12.143 -6.161 1.00 0.00 H new ATOM 0 HD3 ARG A 99 -9.562 12.532 -5.043 1.00 0.00 H new ATOM 0 HE ARG A 99 -7.857 11.904 -3.158 1.00 0.00 H new ATOM 0 HH11 ARG A 99 -5.867 11.299 -5.560 1.00 0.00 H new ATOM 0 HH12 ARG A 99 -4.821 12.716 -5.427 1.00 0.00 H new ATOM 0 HH21 ARG A 99 -7.030 14.457 -3.349 1.00 0.00 H new ATOM 0 HH22 ARG A 99 -5.474 14.490 -4.186 1.00 0.00 H new ATOM 96 N ASN A 100 -11.229 6.908 -4.148 1.00 0.00 N ATOM 97 CA ASN A 100 -11.200 5.590 -3.452 1.00 0.00 C ATOM 98 C ASN A 100 -10.004 4.776 -3.950 1.00 0.00 C ATOM 99 O ASN A 100 -10.129 3.944 -4.827 1.00 0.00 O ATOM 100 CB ASN A 100 -12.495 4.830 -3.747 1.00 0.00 C ATOM 101 CG ASN A 100 -13.696 5.699 -3.368 1.00 0.00 C ATOM 102 OD1 ASN A 100 -14.161 6.493 -4.161 1.00 0.00 O ATOM 103 ND2 ASN A 100 -14.222 5.580 -2.180 1.00 0.00 N ATOM 0 H ASN A 100 -11.355 6.863 -5.159 1.00 0.00 H new ATOM 0 HA ASN A 100 -11.108 5.748 -2.377 1.00 0.00 H new ATOM 0 HB2 ASN A 100 -12.542 4.567 -4.804 1.00 0.00 H new ATOM 0 HB3 ASN A 100 -12.517 3.896 -3.185 1.00 0.00 H new ATOM 0 HD21 ASN A 100 -15.023 6.154 -1.917 1.00 0.00 H new ATOM 0 HD22 ASN A 100 -13.832 4.913 -1.514 1.00 0.00 H new ATOM 110 N LYS A 101 -8.847 5.007 -3.395 1.00 0.00 N ATOM 111 CA LYS A 101 -7.644 4.244 -3.834 1.00 0.00 C ATOM 112 C LYS A 101 -6.874 3.763 -2.603 1.00 0.00 C ATOM 113 O LYS A 101 -7.244 4.040 -1.480 1.00 0.00 O ATOM 114 CB LYS A 101 -6.743 5.149 -4.677 1.00 0.00 C ATOM 115 CG LYS A 101 -7.597 5.943 -5.667 1.00 0.00 C ATOM 116 CD LYS A 101 -8.241 4.983 -6.671 1.00 0.00 C ATOM 117 CE LYS A 101 -9.508 5.620 -7.246 1.00 0.00 C ATOM 118 NZ LYS A 101 -9.712 5.143 -8.643 1.00 0.00 N ATOM 0 H LYS A 101 -8.682 5.691 -2.656 1.00 0.00 H new ATOM 0 HA LYS A 101 -7.954 3.386 -4.430 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -6.188 5.830 -4.032 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -6.008 4.549 -5.214 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -8.368 6.499 -5.134 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -6.981 6.674 -6.191 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -7.540 4.755 -7.473 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -8.485 4.039 -6.183 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -10.370 5.360 -6.632 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -9.421 6.706 -7.230 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -10.573 5.575 -9.035 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -8.893 5.413 -9.225 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -9.812 4.108 -8.645 1.00 0.00 H new ATOM 132 N HIS A 102 -5.804 3.043 -2.804 1.00 0.00 N ATOM 133 CA HIS A 102 -5.015 2.547 -1.642 1.00 0.00 C ATOM 134 C HIS A 102 -4.599 3.728 -0.764 1.00 0.00 C ATOM 135 O HIS A 102 -4.268 4.790 -1.253 1.00 0.00 O ATOM 136 CB HIS A 102 -3.752 1.836 -2.140 1.00 0.00 C ATOM 137 CG HIS A 102 -4.119 0.749 -3.111 1.00 0.00 C ATOM 138 ND1 HIS A 102 -4.493 -0.520 -2.693 1.00 0.00 N ATOM 139 CD2 HIS A 102 -4.151 0.716 -4.482 1.00 0.00 C ATOM 140 CE1 HIS A 102 -4.728 -1.256 -3.796 1.00 0.00 C ATOM 141 NE2 HIS A 102 -4.534 -0.550 -4.913 1.00 0.00 N ATOM 0 H HIS A 102 -5.443 2.778 -3.720 1.00 0.00 H new ATOM 0 HA HIS A 102 -5.628 1.853 -1.067 1.00 0.00 H new ATOM 0 HB2 HIS A 102 -3.087 2.554 -2.620 1.00 0.00 H new ATOM 0 HB3 HIS A 102 -3.208 1.412 -1.296 1.00 0.00 H new ATOM 0 HD2 HIS A 102 -3.914 1.548 -5.129 1.00 0.00 H new ATOM 0 HE1 HIS A 102 -5.036 -2.291 -3.779 1.00 0.00 H new ATOM 0 HE2 HIS A 102 -4.643 -0.870 -5.875 1.00 0.00 H new ATOM 148 N LYS A 103 -4.594 3.548 0.528 1.00 0.00 N ATOM 149 CA LYS A 103 -4.177 4.658 1.431 1.00 0.00 C ATOM 150 C LYS A 103 -2.667 4.565 1.640 1.00 0.00 C ATOM 151 O LYS A 103 -2.174 4.618 2.750 1.00 0.00 O ATOM 152 CB LYS A 103 -4.891 4.523 2.776 1.00 0.00 C ATOM 153 CG LYS A 103 -5.858 5.695 2.963 1.00 0.00 C ATOM 154 CD LYS A 103 -5.515 6.438 4.255 1.00 0.00 C ATOM 155 CE LYS A 103 -5.663 7.945 4.033 1.00 0.00 C ATOM 156 NZ LYS A 103 -5.116 8.677 5.211 1.00 0.00 N ATOM 0 H LYS A 103 -4.860 2.682 0.997 1.00 0.00 H new ATOM 0 HA LYS A 103 -4.437 5.620 0.989 1.00 0.00 H new ATOM 0 HB2 LYS A 103 -5.435 3.579 2.817 1.00 0.00 H new ATOM 0 HB3 LYS A 103 -4.162 4.507 3.586 1.00 0.00 H new ATOM 0 HG2 LYS A 103 -5.793 6.374 2.112 1.00 0.00 H new ATOM 0 HG3 LYS A 103 -6.885 5.331 3.002 1.00 0.00 H new ATOM 0 HD2 LYS A 103 -6.174 6.112 5.060 1.00 0.00 H new ATOM 0 HD3 LYS A 103 -4.496 6.203 4.562 1.00 0.00 H new ATOM 0 HE2 LYS A 103 -5.134 8.244 3.128 1.00 0.00 H new ATOM 0 HE3 LYS A 103 -6.713 8.201 3.888 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 -5.216 9.701 5.061 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 -5.639 8.400 6.066 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 -4.110 8.442 5.330 1.00 0.00 H new ATOM 170 N PHE A 104 -1.932 4.409 0.572 1.00 0.00 N ATOM 171 CA PHE A 104 -0.451 4.291 0.680 1.00 0.00 C ATOM 172 C PHE A 104 0.084 5.273 1.726 1.00 0.00 C ATOM 173 O PHE A 104 -0.210 6.451 1.700 1.00 0.00 O ATOM 174 CB PHE A 104 0.180 4.602 -0.679 1.00 0.00 C ATOM 175 CG PHE A 104 -0.053 3.444 -1.621 1.00 0.00 C ATOM 176 CD1 PHE A 104 0.430 2.170 -1.297 1.00 0.00 C ATOM 177 CD2 PHE A 104 -0.751 3.645 -2.820 1.00 0.00 C ATOM 178 CE1 PHE A 104 0.215 1.096 -2.170 1.00 0.00 C ATOM 179 CE2 PHE A 104 -0.965 2.570 -3.693 1.00 0.00 C ATOM 180 CZ PHE A 104 -0.483 1.296 -3.368 1.00 0.00 C ATOM 0 H PHE A 104 -2.298 4.358 -0.379 1.00 0.00 H new ATOM 0 HA PHE A 104 -0.196 3.276 0.985 1.00 0.00 H new ATOM 0 HB2 PHE A 104 -0.252 5.513 -1.092 1.00 0.00 H new ATOM 0 HB3 PHE A 104 1.249 4.781 -0.563 1.00 0.00 H new ATOM 0 HD1 PHE A 104 0.968 2.016 -0.374 1.00 0.00 H new ATOM 0 HD2 PHE A 104 -1.123 4.627 -3.071 1.00 0.00 H new ATOM 0 HE1 PHE A 104 0.587 0.114 -1.920 1.00 0.00 H new ATOM 0 HE2 PHE A 104 -1.502 2.724 -4.617 1.00 0.00 H new ATOM 0 HZ PHE A 104 -0.649 0.468 -4.041 1.00 0.00 H new ATOM 190 N ARG A 105 0.879 4.789 2.641 1.00 0.00 N ATOM 191 CA ARG A 105 1.453 5.677 3.690 1.00 0.00 C ATOM 192 C ARG A 105 2.807 5.113 4.119 1.00 0.00 C ATOM 193 O ARG A 105 2.885 4.082 4.758 1.00 0.00 O ATOM 194 CB ARG A 105 0.510 5.726 4.895 1.00 0.00 C ATOM 195 CG ARG A 105 0.309 4.312 5.446 1.00 0.00 C ATOM 196 CD ARG A 105 0.842 4.243 6.879 1.00 0.00 C ATOM 197 NE ARG A 105 -0.270 4.497 7.838 1.00 0.00 N ATOM 198 CZ ARG A 105 -0.144 4.148 9.088 1.00 0.00 C ATOM 199 NH1 ARG A 105 1.040 3.907 9.581 1.00 0.00 N ATOM 200 NH2 ARG A 105 -1.200 4.041 9.847 1.00 0.00 N ATOM 0 H ARG A 105 1.157 3.810 2.707 1.00 0.00 H new ATOM 0 HA ARG A 105 1.578 6.686 3.297 1.00 0.00 H new ATOM 0 HB2 ARG A 105 0.924 6.373 5.668 1.00 0.00 H new ATOM 0 HB3 ARG A 105 -0.449 6.153 4.602 1.00 0.00 H new ATOM 0 HG2 ARG A 105 -0.749 4.050 5.427 1.00 0.00 H new ATOM 0 HG3 ARG A 105 0.828 3.588 4.818 1.00 0.00 H new ATOM 0 HD2 ARG A 105 1.282 3.264 7.068 1.00 0.00 H new ATOM 0 HD3 ARG A 105 1.633 4.980 7.020 1.00 0.00 H new ATOM 0 HE ARG A 105 -1.129 4.944 7.517 1.00 0.00 H new ATOM 0 HH11 ARG A 105 1.866 3.992 8.989 1.00 0.00 H new ATOM 0 HH12 ARG A 105 1.139 3.634 10.559 1.00 0.00 H new ATOM 0 HH21 ARG A 105 -2.126 4.230 9.463 1.00 0.00 H new ATOM 0 HH22 ARG A 105 -1.100 3.768 10.825 1.00 0.00 H new ATOM 214 N LEU A 106 3.878 5.768 3.769 1.00 0.00 N ATOM 215 CA LEU A 106 5.216 5.250 4.155 1.00 0.00 C ATOM 216 C LEU A 106 5.252 5.002 5.666 1.00 0.00 C ATOM 217 O LEU A 106 4.997 5.884 6.460 1.00 0.00 O ATOM 218 CB LEU A 106 6.295 6.263 3.759 1.00 0.00 C ATOM 219 CG LEU A 106 6.258 7.458 4.710 1.00 0.00 C ATOM 220 CD1 LEU A 106 7.297 8.491 4.270 1.00 0.00 C ATOM 221 CD2 LEU A 106 4.867 8.091 4.682 1.00 0.00 C ATOM 0 H LEU A 106 3.883 6.637 3.234 1.00 0.00 H new ATOM 0 HA LEU A 106 5.407 4.311 3.636 1.00 0.00 H new ATOM 0 HB2 LEU A 106 7.278 5.792 3.790 1.00 0.00 H new ATOM 0 HB3 LEU A 106 6.134 6.597 2.734 1.00 0.00 H new ATOM 0 HG LEU A 106 6.483 7.123 5.722 1.00 0.00 H new ATOM 0 HD11 LEU A 106 7.271 9.344 4.948 1.00 0.00 H new ATOM 0 HD12 LEU A 106 8.289 8.041 4.291 1.00 0.00 H new ATOM 0 HD13 LEU A 106 7.071 8.825 3.257 1.00 0.00 H new ATOM 0 HD21 LEU A 106 4.841 8.943 5.361 1.00 0.00 H new ATOM 0 HD22 LEU A 106 4.640 8.426 3.670 1.00 0.00 H new ATOM 0 HD23 LEU A 106 4.126 7.355 4.995 1.00 0.00 H new ATOM 233 N HIS A 107 5.568 3.801 6.062 1.00 0.00 N ATOM 234 CA HIS A 107 5.627 3.477 7.514 1.00 0.00 C ATOM 235 C HIS A 107 7.041 3.752 8.021 1.00 0.00 C ATOM 236 O HIS A 107 7.918 4.093 7.260 1.00 0.00 O ATOM 237 CB HIS A 107 5.291 1.999 7.714 1.00 0.00 C ATOM 238 CG HIS A 107 6.235 1.160 6.897 1.00 0.00 C ATOM 239 ND1 HIS A 107 6.027 0.307 5.841 1.00 0.00 N flip ATOM 240 CD2 HIS A 107 7.600 1.139 7.137 1.00 0.00 C flip ATOM 241 CE1 HIS A 107 7.241 -0.237 5.432 1.00 0.00 C flip ATOM 242 NE2 HIS A 107 8.156 0.298 6.245 1.00 0.00 N flip ATOM 0 H HIS A 107 5.789 3.025 5.438 1.00 0.00 H new ATOM 0 HA HIS A 107 4.911 4.088 8.064 1.00 0.00 H new ATOM 0 HB2 HIS A 107 5.372 1.735 8.769 1.00 0.00 H new ATOM 0 HB3 HIS A 107 4.261 1.805 7.415 1.00 0.00 H new ATOM 0 HD2 HIS A 107 8.122 1.696 7.901 1.00 0.00 H new ATOM 0 HE1 HIS A 107 7.408 -0.941 4.630 1.00 0.00 H new ATOM 0 HE2 HIS A 107 9.154 0.094 6.196 1.00 0.00 H new ATOM 250 N SER A 108 7.277 3.615 9.298 1.00 0.00 N ATOM 251 CA SER A 108 8.646 3.885 9.821 1.00 0.00 C ATOM 252 C SER A 108 9.162 2.674 10.600 1.00 0.00 C ATOM 253 O SER A 108 8.897 2.519 11.776 1.00 0.00 O ATOM 254 CB SER A 108 8.606 5.105 10.742 1.00 0.00 C ATOM 255 OG SER A 108 7.570 5.979 10.319 1.00 0.00 O ATOM 0 H SER A 108 6.589 3.331 9.995 1.00 0.00 H new ATOM 0 HA SER A 108 9.315 4.078 8.983 1.00 0.00 H new ATOM 0 HB2 SER A 108 8.435 4.792 11.772 1.00 0.00 H new ATOM 0 HB3 SER A 108 9.565 5.622 10.721 1.00 0.00 H new ATOM 0 HG SER A 108 7.541 6.761 10.909 1.00 0.00 H new ATOM 261 N TYR A 109 9.913 1.821 9.956 1.00 0.00 N ATOM 262 CA TYR A 109 10.464 0.629 10.660 1.00 0.00 C ATOM 263 C TYR A 109 11.980 0.789 10.791 1.00 0.00 C ATOM 264 O TYR A 109 12.526 1.841 10.524 1.00 0.00 O ATOM 265 CB TYR A 109 10.169 -0.638 9.852 1.00 0.00 C ATOM 266 CG TYR A 109 8.701 -0.702 9.501 1.00 0.00 C ATOM 267 CD1 TYR A 109 7.762 0.015 10.255 1.00 0.00 C ATOM 268 CD2 TYR A 109 8.280 -1.485 8.420 1.00 0.00 C ATOM 269 CE1 TYR A 109 6.401 -0.052 9.924 1.00 0.00 C ATOM 270 CE2 TYR A 109 6.921 -1.554 8.090 1.00 0.00 C ATOM 271 CZ TYR A 109 5.981 -0.838 8.842 1.00 0.00 C ATOM 272 OH TYR A 109 4.641 -0.905 8.517 1.00 0.00 O ATOM 0 H TYR A 109 10.168 1.899 8.972 1.00 0.00 H new ATOM 0 HA TYR A 109 10.003 0.546 11.644 1.00 0.00 H new ATOM 0 HB2 TYR A 109 10.769 -0.646 8.942 1.00 0.00 H new ATOM 0 HB3 TYR A 109 10.452 -1.519 10.428 1.00 0.00 H new ATOM 0 HD1 TYR A 109 8.086 0.618 11.090 1.00 0.00 H new ATOM 0 HD2 TYR A 109 9.004 -2.037 7.839 1.00 0.00 H new ATOM 0 HE1 TYR A 109 5.677 0.502 10.503 1.00 0.00 H new ATOM 0 HE2 TYR A 109 6.598 -2.159 7.256 1.00 0.00 H new ATOM 0 HH TYR A 109 4.521 -1.492 7.741 1.00 0.00 H new ATOM 282 N SER A 110 12.667 -0.248 11.182 1.00 0.00 N ATOM 283 CA SER A 110 14.148 -0.151 11.309 1.00 0.00 C ATOM 284 C SER A 110 14.781 -0.367 9.932 1.00 0.00 C ATOM 285 O SER A 110 15.987 -0.418 9.791 1.00 0.00 O ATOM 286 CB SER A 110 14.650 -1.222 12.278 1.00 0.00 C ATOM 287 OG SER A 110 13.951 -2.437 12.038 1.00 0.00 O ATOM 0 H SER A 110 12.268 -1.156 11.419 1.00 0.00 H new ATOM 0 HA SER A 110 14.422 0.833 11.690 1.00 0.00 H new ATOM 0 HB2 SER A 110 15.722 -1.374 12.148 1.00 0.00 H new ATOM 0 HB3 SER A 110 14.497 -0.898 13.307 1.00 0.00 H new ATOM 0 HG SER A 110 14.272 -3.126 12.656 1.00 0.00 H new ATOM 293 N SER A 111 13.972 -0.494 8.913 1.00 0.00 N ATOM 294 CA SER A 111 14.513 -0.709 7.542 1.00 0.00 C ATOM 295 C SER A 111 13.344 -0.825 6.559 1.00 0.00 C ATOM 296 O SER A 111 12.217 -1.028 6.964 1.00 0.00 O ATOM 297 CB SER A 111 15.337 -1.997 7.514 1.00 0.00 C ATOM 298 OG SER A 111 16.667 -1.713 7.927 1.00 0.00 O ATOM 0 H SER A 111 12.954 -0.458 8.974 1.00 0.00 H new ATOM 0 HA SER A 111 15.150 0.129 7.260 1.00 0.00 H new ATOM 0 HB2 SER A 111 14.891 -2.742 8.173 1.00 0.00 H new ATOM 0 HB3 SER A 111 15.338 -2.420 6.509 1.00 0.00 H new ATOM 0 HG SER A 111 16.661 -1.396 8.854 1.00 0.00 H new ATOM 304 N PRO A 112 13.647 -0.692 5.294 1.00 0.00 N ATOM 305 CA PRO A 112 12.635 -0.776 4.228 1.00 0.00 C ATOM 306 C PRO A 112 12.241 -2.232 3.968 1.00 0.00 C ATOM 307 O PRO A 112 13.067 -3.124 3.972 1.00 0.00 O ATOM 308 CB PRO A 112 13.340 -0.164 3.013 1.00 0.00 C ATOM 309 CG PRO A 112 14.858 -0.277 3.285 1.00 0.00 C ATOM 310 CD PRO A 112 15.021 -0.447 4.809 1.00 0.00 C ATOM 0 HA PRO A 112 11.707 -0.260 4.477 1.00 0.00 H new ATOM 0 HB2 PRO A 112 13.069 -0.693 2.100 1.00 0.00 H new ATOM 0 HB3 PRO A 112 13.046 0.877 2.877 1.00 0.00 H new ATOM 0 HG2 PRO A 112 15.285 -1.127 2.752 1.00 0.00 H new ATOM 0 HG3 PRO A 112 15.381 0.613 2.936 1.00 0.00 H new ATOM 0 HD2 PRO A 112 15.683 -1.280 5.049 1.00 0.00 H new ATOM 0 HD3 PRO A 112 15.452 0.444 5.266 1.00 0.00 H new ATOM 318 N THR A 113 10.979 -2.475 3.744 1.00 0.00 N ATOM 319 CA THR A 113 10.515 -3.867 3.484 1.00 0.00 C ATOM 320 C THR A 113 10.585 -4.150 1.987 1.00 0.00 C ATOM 321 O THR A 113 10.993 -3.315 1.204 1.00 0.00 O ATOM 322 CB THR A 113 9.068 -4.017 3.964 1.00 0.00 C ATOM 323 OG1 THR A 113 8.840 -3.136 5.055 1.00 0.00 O ATOM 324 CG2 THR A 113 8.822 -5.459 4.411 1.00 0.00 C ATOM 0 H THR A 113 10.246 -1.766 3.730 1.00 0.00 H new ATOM 0 HA THR A 113 11.151 -4.572 4.019 1.00 0.00 H new ATOM 0 HB THR A 113 8.388 -3.772 3.149 1.00 0.00 H new ATOM 0 HG1 THR A 113 7.914 -3.229 5.363 1.00 0.00 H new ATOM 0 HG21 THR A 113 7.792 -5.564 4.752 1.00 0.00 H new ATOM 0 HG22 THR A 113 8.997 -6.134 3.574 1.00 0.00 H new ATOM 0 HG23 THR A 113 9.501 -5.708 5.226 1.00 0.00 H new ATOM 332 N PHE A 114 10.193 -5.323 1.584 1.00 0.00 N ATOM 333 CA PHE A 114 10.241 -5.661 0.134 1.00 0.00 C ATOM 334 C PHE A 114 9.040 -5.038 -0.576 1.00 0.00 C ATOM 335 O PHE A 114 8.268 -4.306 0.011 1.00 0.00 O ATOM 336 CB PHE A 114 10.202 -7.181 -0.047 1.00 0.00 C ATOM 337 CG PHE A 114 11.038 -7.842 1.021 1.00 0.00 C ATOM 338 CD1 PHE A 114 12.135 -7.166 1.572 1.00 0.00 C ATOM 339 CD2 PHE A 114 10.717 -9.133 1.461 1.00 0.00 C ATOM 340 CE1 PHE A 114 12.910 -7.782 2.563 1.00 0.00 C ATOM 341 CE2 PHE A 114 11.492 -9.748 2.452 1.00 0.00 C ATOM 342 CZ PHE A 114 12.589 -9.073 3.004 1.00 0.00 C ATOM 0 H PHE A 114 9.842 -6.062 2.193 1.00 0.00 H new ATOM 0 HA PHE A 114 11.164 -5.269 -0.293 1.00 0.00 H new ATOM 0 HB2 PHE A 114 9.174 -7.537 0.010 1.00 0.00 H new ATOM 0 HB3 PHE A 114 10.578 -7.449 -1.034 1.00 0.00 H new ATOM 0 HD1 PHE A 114 12.383 -6.171 1.233 1.00 0.00 H new ATOM 0 HD2 PHE A 114 9.872 -9.654 1.036 1.00 0.00 H new ATOM 0 HE1 PHE A 114 13.756 -7.262 2.988 1.00 0.00 H new ATOM 0 HE2 PHE A 114 11.244 -10.743 2.791 1.00 0.00 H new ATOM 0 HZ PHE A 114 13.187 -9.547 3.769 1.00 0.00 H new ATOM 352 N CYS A 115 8.883 -5.318 -1.838 1.00 0.00 N ATOM 353 CA CYS A 115 7.742 -4.741 -2.598 1.00 0.00 C ATOM 354 C CYS A 115 6.806 -5.867 -3.040 1.00 0.00 C ATOM 355 O CYS A 115 7.234 -6.964 -3.341 1.00 0.00 O ATOM 356 CB CYS A 115 8.290 -4.000 -3.817 1.00 0.00 C ATOM 357 SG CYS A 115 6.937 -3.299 -4.788 1.00 0.00 S ATOM 0 H CYS A 115 9.499 -5.925 -2.378 1.00 0.00 H new ATOM 0 HA CYS A 115 7.183 -4.046 -1.972 1.00 0.00 H new ATOM 0 HB2 CYS A 115 8.965 -3.206 -3.495 1.00 0.00 H new ATOM 0 HB3 CYS A 115 8.873 -4.683 -4.434 1.00 0.00 H new ATOM 362 N ASP A 116 5.529 -5.608 -3.074 1.00 0.00 N ATOM 363 CA ASP A 116 4.561 -6.668 -3.487 1.00 0.00 C ATOM 364 C ASP A 116 4.310 -6.583 -4.993 1.00 0.00 C ATOM 365 O ASP A 116 3.861 -7.528 -5.612 1.00 0.00 O ATOM 366 CB ASP A 116 3.239 -6.471 -2.741 1.00 0.00 C ATOM 367 CG ASP A 116 2.700 -5.066 -3.018 1.00 0.00 C ATOM 368 OD1 ASP A 116 2.621 -4.702 -4.180 1.00 0.00 O ATOM 369 OD2 ASP A 116 2.376 -4.380 -2.064 1.00 0.00 O ATOM 0 H ASP A 116 5.111 -4.709 -2.834 1.00 0.00 H new ATOM 0 HA ASP A 116 4.977 -7.646 -3.245 1.00 0.00 H new ATOM 0 HB2 ASP A 116 2.514 -7.220 -3.061 1.00 0.00 H new ATOM 0 HB3 ASP A 116 3.389 -6.610 -1.670 1.00 0.00 H new ATOM 374 N HIS A 117 4.586 -5.456 -5.583 1.00 0.00 N ATOM 375 CA HIS A 117 4.356 -5.302 -7.045 1.00 0.00 C ATOM 376 C HIS A 117 5.604 -5.732 -7.821 1.00 0.00 C ATOM 377 O HIS A 117 5.520 -6.128 -8.966 1.00 0.00 O ATOM 378 CB HIS A 117 4.045 -3.836 -7.357 1.00 0.00 C ATOM 379 CG HIS A 117 4.057 -3.623 -8.845 1.00 0.00 C ATOM 380 ND1 HIS A 117 5.086 -3.490 -9.743 1.00 0.00 N flip ATOM 381 CD2 HIS A 117 2.891 -3.522 -9.587 1.00 0.00 C flip ATOM 382 CE1 HIS A 117 4.570 -3.309 -11.024 1.00 0.00 C flip ATOM 383 NE2 HIS A 117 3.243 -3.335 -10.872 1.00 0.00 N flip ATOM 0 H HIS A 117 4.962 -4.632 -5.115 1.00 0.00 H new ATOM 0 HA HIS A 117 3.516 -5.930 -7.343 1.00 0.00 H new ATOM 0 HB2 HIS A 117 3.071 -3.566 -6.949 1.00 0.00 H new ATOM 0 HB3 HIS A 117 4.781 -3.188 -6.881 1.00 0.00 H new ATOM 0 HD2 HIS A 117 1.883 -3.582 -9.204 1.00 0.00 H new ATOM 0 HE1 HIS A 117 5.123 -3.176 -11.942 1.00 0.00 H new ATOM 0 HE2 HIS A 117 2.577 -3.226 -11.637 1.00 0.00 H new ATOM 391 N CYS A 118 6.764 -5.665 -7.219 1.00 0.00 N ATOM 392 CA CYS A 118 7.992 -6.079 -7.956 1.00 0.00 C ATOM 393 C CYS A 118 8.816 -7.040 -7.093 1.00 0.00 C ATOM 394 O CYS A 118 9.882 -7.477 -7.481 1.00 0.00 O ATOM 395 CB CYS A 118 8.827 -4.844 -8.300 1.00 0.00 C ATOM 396 SG CYS A 118 9.328 -4.003 -6.780 1.00 0.00 S ATOM 0 H CYS A 118 6.912 -5.346 -6.262 1.00 0.00 H new ATOM 0 HA CYS A 118 7.704 -6.585 -8.877 1.00 0.00 H new ATOM 0 HB2 CYS A 118 9.707 -5.136 -8.872 1.00 0.00 H new ATOM 0 HB3 CYS A 118 8.249 -4.166 -8.928 1.00 0.00 H new ATOM 401 N GLY A 119 8.328 -7.381 -5.931 1.00 0.00 N ATOM 402 CA GLY A 119 9.082 -8.323 -5.052 1.00 0.00 C ATOM 403 C GLY A 119 10.534 -7.862 -4.917 1.00 0.00 C ATOM 404 O GLY A 119 11.456 -8.586 -5.238 1.00 0.00 O ATOM 0 H GLY A 119 7.441 -7.049 -5.552 1.00 0.00 H new ATOM 0 HA2 GLY A 119 8.614 -8.370 -4.069 1.00 0.00 H new ATOM 0 HA3 GLY A 119 9.048 -9.329 -5.470 1.00 0.00 H new ATOM 408 N SER A 120 10.749 -6.664 -4.447 1.00 0.00 N ATOM 409 CA SER A 120 12.148 -6.168 -4.297 1.00 0.00 C ATOM 410 C SER A 120 12.249 -5.240 -3.082 1.00 0.00 C ATOM 411 O SER A 120 11.296 -4.589 -2.704 1.00 0.00 O ATOM 412 CB SER A 120 12.553 -5.402 -5.557 1.00 0.00 C ATOM 413 OG SER A 120 12.005 -6.050 -6.697 1.00 0.00 O ATOM 0 H SER A 120 10.021 -6.009 -4.161 1.00 0.00 H new ATOM 0 HA SER A 120 12.815 -7.018 -4.153 1.00 0.00 H new ATOM 0 HB2 SER A 120 12.196 -4.374 -5.502 1.00 0.00 H new ATOM 0 HB3 SER A 120 13.639 -5.358 -5.636 1.00 0.00 H new ATOM 0 HG SER A 120 11.124 -5.671 -6.897 1.00 0.00 H new ATOM 419 N LEU A 121 13.403 -5.176 -2.472 1.00 0.00 N ATOM 420 CA LEU A 121 13.576 -4.291 -1.285 1.00 0.00 C ATOM 421 C LEU A 121 13.527 -2.825 -1.711 1.00 0.00 C ATOM 422 O LEU A 121 14.130 -2.429 -2.689 1.00 0.00 O ATOM 423 CB LEU A 121 14.923 -4.576 -0.617 1.00 0.00 C ATOM 424 CG LEU A 121 14.738 -5.633 0.472 1.00 0.00 C ATOM 425 CD1 LEU A 121 16.042 -6.413 0.653 1.00 0.00 C ATOM 426 CD2 LEU A 121 14.370 -4.938 1.786 1.00 0.00 C ATOM 0 H LEU A 121 14.234 -5.700 -2.746 1.00 0.00 H new ATOM 0 HA LEU A 121 12.768 -4.489 -0.580 1.00 0.00 H new ATOM 0 HB2 LEU A 121 15.642 -4.924 -1.358 1.00 0.00 H new ATOM 0 HB3 LEU A 121 15.328 -3.661 -0.185 1.00 0.00 H new ATOM 0 HG LEU A 121 13.943 -6.322 0.186 1.00 0.00 H new ATOM 0 HD11 LEU A 121 15.910 -7.167 1.429 1.00 0.00 H new ATOM 0 HD12 LEU A 121 16.307 -6.901 -0.285 1.00 0.00 H new ATOM 0 HD13 LEU A 121 16.838 -5.728 0.944 1.00 0.00 H new ATOM 0 HD21 LEU A 121 14.236 -5.686 2.568 1.00 0.00 H new ATOM 0 HD22 LEU A 121 15.168 -4.253 2.071 1.00 0.00 H new ATOM 0 HD23 LEU A 121 13.443 -4.380 1.655 1.00 0.00 H new ATOM 438 N LEU A 122 12.816 -2.018 -0.975 1.00 0.00 N ATOM 439 CA LEU A 122 12.727 -0.573 -1.324 1.00 0.00 C ATOM 440 C LEU A 122 14.124 0.049 -1.273 1.00 0.00 C ATOM 441 O LEU A 122 14.550 0.561 -0.256 1.00 0.00 O ATOM 442 CB LEU A 122 11.814 0.137 -0.323 1.00 0.00 C ATOM 443 CG LEU A 122 10.478 -0.604 -0.237 1.00 0.00 C ATOM 444 CD1 LEU A 122 9.894 -0.440 1.166 1.00 0.00 C ATOM 445 CD2 LEU A 122 9.506 -0.020 -1.264 1.00 0.00 C ATOM 0 H LEU A 122 12.292 -2.297 -0.146 1.00 0.00 H new ATOM 0 HA LEU A 122 12.318 -0.464 -2.328 1.00 0.00 H new ATOM 0 HB2 LEU A 122 12.288 0.170 0.658 1.00 0.00 H new ATOM 0 HB3 LEU A 122 11.650 1.169 -0.632 1.00 0.00 H new ATOM 0 HG LEU A 122 10.635 -1.663 -0.444 1.00 0.00 H new ATOM 0 HD11 LEU A 122 8.942 -0.968 1.228 1.00 0.00 H new ATOM 0 HD12 LEU A 122 10.587 -0.854 1.899 1.00 0.00 H new ATOM 0 HD13 LEU A 122 9.736 0.618 1.373 1.00 0.00 H new ATOM 0 HD21 LEU A 122 8.554 -0.547 -1.204 1.00 0.00 H new ATOM 0 HD22 LEU A 122 9.349 1.038 -1.056 1.00 0.00 H new ATOM 0 HD23 LEU A 122 9.922 -0.135 -2.265 1.00 0.00 H new ATOM 457 N TYR A 123 14.841 0.008 -2.362 1.00 0.00 N ATOM 458 CA TYR A 123 16.209 0.596 -2.378 1.00 0.00 C ATOM 459 C TYR A 123 16.120 2.101 -2.120 1.00 0.00 C ATOM 460 O TYR A 123 15.073 2.623 -1.791 1.00 0.00 O ATOM 461 CB TYR A 123 16.853 0.352 -3.744 1.00 0.00 C ATOM 462 CG TYR A 123 16.629 -1.082 -4.159 1.00 0.00 C ATOM 463 CD1 TYR A 123 17.450 -2.096 -3.648 1.00 0.00 C ATOM 464 CD2 TYR A 123 15.600 -1.400 -5.056 1.00 0.00 C ATOM 465 CE1 TYR A 123 17.243 -3.426 -4.034 1.00 0.00 C ATOM 466 CE2 TYR A 123 15.393 -2.731 -5.442 1.00 0.00 C ATOM 467 CZ TYR A 123 16.215 -3.744 -4.930 1.00 0.00 C ATOM 468 OH TYR A 123 16.012 -5.056 -5.310 1.00 0.00 O ATOM 0 H TYR A 123 14.538 -0.408 -3.243 1.00 0.00 H new ATOM 0 HA TYR A 123 16.814 0.128 -1.601 1.00 0.00 H new ATOM 0 HB2 TYR A 123 16.425 1.027 -4.485 1.00 0.00 H new ATOM 0 HB3 TYR A 123 17.921 0.565 -3.697 1.00 0.00 H new ATOM 0 HD1 TYR A 123 18.243 -1.852 -2.956 1.00 0.00 H new ATOM 0 HD2 TYR A 123 14.967 -0.619 -5.450 1.00 0.00 H new ATOM 0 HE1 TYR A 123 17.877 -4.207 -3.640 1.00 0.00 H new ATOM 0 HE2 TYR A 123 14.601 -2.976 -6.134 1.00 0.00 H new ATOM 0 HH TYR A 123 16.284 -5.653 -4.582 1.00 0.00 H new ATOM 478 N GLY A 124 17.209 2.804 -2.269 1.00 0.00 N ATOM 479 CA GLY A 124 17.183 4.276 -2.035 1.00 0.00 C ATOM 480 C GLY A 124 16.051 4.900 -2.851 1.00 0.00 C ATOM 481 O GLY A 124 16.233 5.288 -3.988 1.00 0.00 O ATOM 0 H GLY A 124 18.115 2.423 -2.542 1.00 0.00 H new ATOM 0 HA2 GLY A 124 17.039 4.484 -0.975 1.00 0.00 H new ATOM 0 HA3 GLY A 124 18.138 4.718 -2.320 1.00 0.00 H new ATOM 485 N LEU A 125 14.882 4.999 -2.281 1.00 0.00 N ATOM 486 CA LEU A 125 13.738 5.597 -3.024 1.00 0.00 C ATOM 487 C LEU A 125 12.806 6.312 -2.043 1.00 0.00 C ATOM 488 O LEU A 125 12.264 7.358 -2.339 1.00 0.00 O ATOM 489 CB LEU A 125 12.966 4.492 -3.748 1.00 0.00 C ATOM 490 CG LEU A 125 13.608 4.230 -5.112 1.00 0.00 C ATOM 491 CD1 LEU A 125 13.065 2.924 -5.694 1.00 0.00 C ATOM 492 CD2 LEU A 125 13.278 5.385 -6.060 1.00 0.00 C ATOM 0 H LEU A 125 14.670 4.691 -1.332 1.00 0.00 H new ATOM 0 HA LEU A 125 14.116 6.314 -3.753 1.00 0.00 H new ATOM 0 HB2 LEU A 125 12.970 3.580 -3.151 1.00 0.00 H new ATOM 0 HB3 LEU A 125 11.924 4.785 -3.875 1.00 0.00 H new ATOM 0 HG LEU A 125 14.689 4.151 -4.993 1.00 0.00 H new ATOM 0 HD11 LEU A 125 13.524 2.740 -6.665 1.00 0.00 H new ATOM 0 HD12 LEU A 125 13.299 2.100 -5.020 1.00 0.00 H new ATOM 0 HD13 LEU A 125 11.984 3.000 -5.812 1.00 0.00 H new ATOM 0 HD21 LEU A 125 13.735 5.200 -7.032 1.00 0.00 H new ATOM 0 HD22 LEU A 125 12.197 5.463 -6.176 1.00 0.00 H new ATOM 0 HD23 LEU A 125 13.667 6.316 -5.648 1.00 0.00 H new ATOM 504 N VAL A 126 12.615 5.757 -0.876 1.00 0.00 N ATOM 505 CA VAL A 126 11.717 6.411 0.118 1.00 0.00 C ATOM 506 C VAL A 126 12.228 6.130 1.531 1.00 0.00 C ATOM 507 O VAL A 126 12.854 5.120 1.784 1.00 0.00 O ATOM 508 CB VAL A 126 10.298 5.856 -0.031 1.00 0.00 C ATOM 509 CG1 VAL A 126 9.536 6.672 -1.075 1.00 0.00 C ATOM 510 CG2 VAL A 126 10.366 4.394 -0.479 1.00 0.00 C ATOM 0 H VAL A 126 13.041 4.882 -0.569 1.00 0.00 H new ATOM 0 HA VAL A 126 11.706 7.487 -0.057 1.00 0.00 H new ATOM 0 HB VAL A 126 9.782 5.920 0.927 1.00 0.00 H new ATOM 0 HG11 VAL A 126 8.526 6.276 -1.180 1.00 0.00 H new ATOM 0 HG12 VAL A 126 9.486 7.713 -0.757 1.00 0.00 H new ATOM 0 HG13 VAL A 126 10.052 6.609 -2.033 1.00 0.00 H new ATOM 0 HG21 VAL A 126 9.356 3.999 -0.585 1.00 0.00 H new ATOM 0 HG22 VAL A 126 10.883 4.331 -1.436 1.00 0.00 H new ATOM 0 HG23 VAL A 126 10.908 3.810 0.265 1.00 0.00 H new ATOM 520 N HIS A 127 11.964 7.015 2.454 1.00 0.00 N ATOM 521 CA HIS A 127 12.431 6.797 3.851 1.00 0.00 C ATOM 522 C HIS A 127 12.168 5.343 4.251 1.00 0.00 C ATOM 523 O HIS A 127 13.015 4.683 4.820 1.00 0.00 O ATOM 524 CB HIS A 127 11.671 7.736 4.792 1.00 0.00 C ATOM 525 CG HIS A 127 12.064 7.443 6.213 1.00 0.00 C ATOM 526 ND1 HIS A 127 11.371 7.961 7.295 1.00 0.00 N ATOM 527 CD2 HIS A 127 13.072 6.678 6.743 1.00 0.00 C ATOM 528 CE1 HIS A 127 11.964 7.502 8.413 1.00 0.00 C ATOM 529 NE2 HIS A 127 13.007 6.715 8.133 1.00 0.00 N ATOM 0 H HIS A 127 11.445 7.879 2.300 1.00 0.00 H new ATOM 0 HA HIS A 127 13.499 7.004 3.919 1.00 0.00 H new ATOM 0 HB2 HIS A 127 11.896 8.774 4.547 1.00 0.00 H new ATOM 0 HB3 HIS A 127 10.596 7.604 4.666 1.00 0.00 H new ATOM 0 HD2 HIS A 127 13.805 6.130 6.169 1.00 0.00 H new ATOM 0 HE1 HIS A 127 11.637 7.741 9.414 1.00 0.00 H new ATOM 0 HE2 HIS A 127 13.623 6.243 8.795 1.00 0.00 H new ATOM 537 N GLN A 128 11.003 4.839 3.950 1.00 0.00 N ATOM 538 CA GLN A 128 10.684 3.428 4.307 1.00 0.00 C ATOM 539 C GLN A 128 9.845 2.804 3.188 1.00 0.00 C ATOM 540 O GLN A 128 10.011 3.121 2.027 1.00 0.00 O ATOM 541 CB GLN A 128 9.898 3.399 5.618 1.00 0.00 C ATOM 542 CG GLN A 128 10.581 4.304 6.646 1.00 0.00 C ATOM 543 CD GLN A 128 9.850 5.647 6.708 1.00 0.00 C ATOM 544 OE1 GLN A 128 9.444 6.177 5.693 1.00 0.00 O ATOM 545 NE2 GLN A 128 9.659 6.220 7.865 1.00 0.00 N ATOM 0 H GLN A 128 10.257 5.344 3.472 1.00 0.00 H new ATOM 0 HA GLN A 128 11.607 2.861 4.430 1.00 0.00 H new ATOM 0 HB2 GLN A 128 8.875 3.733 5.448 1.00 0.00 H new ATOM 0 HB3 GLN A 128 9.841 2.379 5.997 1.00 0.00 H new ATOM 0 HG2 GLN A 128 10.574 3.828 7.627 1.00 0.00 H new ATOM 0 HG3 GLN A 128 11.625 4.458 6.374 1.00 0.00 H new ATOM 0 HE21 GLN A 128 10.000 5.775 8.717 1.00 0.00 H new ATOM 0 HE22 GLN A 128 9.169 7.113 7.917 1.00 0.00 H new ATOM 554 N GLY A 129 8.942 1.920 3.525 1.00 0.00 N ATOM 555 CA GLY A 129 8.096 1.285 2.473 1.00 0.00 C ATOM 556 C GLY A 129 6.702 1.912 2.496 1.00 0.00 C ATOM 557 O GLY A 129 6.260 2.416 3.507 1.00 0.00 O ATOM 0 H GLY A 129 8.755 1.612 4.479 1.00 0.00 H new ATOM 0 HA2 GLY A 129 8.552 1.421 1.492 1.00 0.00 H new ATOM 0 HA3 GLY A 129 8.027 0.211 2.646 1.00 0.00 H new ATOM 561 N MET A 130 6.005 1.891 1.392 1.00 0.00 N ATOM 562 CA MET A 130 4.641 2.494 1.365 1.00 0.00 C ATOM 563 C MET A 130 3.597 1.428 1.709 1.00 0.00 C ATOM 564 O MET A 130 3.292 0.566 0.911 1.00 0.00 O ATOM 565 CB MET A 130 4.360 3.051 -0.031 1.00 0.00 C ATOM 566 CG MET A 130 5.562 3.874 -0.501 1.00 0.00 C ATOM 567 SD MET A 130 4.984 5.443 -1.193 1.00 0.00 S ATOM 568 CE MET A 130 5.712 6.527 0.061 1.00 0.00 C ATOM 0 H MET A 130 6.319 1.484 0.511 1.00 0.00 H new ATOM 0 HA MET A 130 4.588 3.299 2.098 1.00 0.00 H new ATOM 0 HB2 MET A 130 4.169 2.235 -0.728 1.00 0.00 H new ATOM 0 HB3 MET A 130 3.464 3.672 -0.013 1.00 0.00 H new ATOM 0 HG2 MET A 130 6.238 4.059 0.334 1.00 0.00 H new ATOM 0 HG3 MET A 130 6.126 3.319 -1.251 1.00 0.00 H new ATOM 0 HE1 MET A 130 6.005 7.471 -0.399 1.00 0.00 H new ATOM 0 HE2 MET A 130 4.980 6.718 0.846 1.00 0.00 H new ATOM 0 HE3 MET A 130 6.590 6.046 0.492 1.00 0.00 H new ATOM 578 N LYS A 131 3.048 1.477 2.893 1.00 0.00 N ATOM 579 CA LYS A 131 2.026 0.461 3.277 1.00 0.00 C ATOM 580 C LYS A 131 0.625 1.019 3.040 1.00 0.00 C ATOM 581 O LYS A 131 0.294 2.106 3.466 1.00 0.00 O ATOM 582 CB LYS A 131 2.183 0.108 4.755 1.00 0.00 C ATOM 583 CG LYS A 131 1.553 -1.261 5.022 1.00 0.00 C ATOM 584 CD LYS A 131 0.566 -1.150 6.185 1.00 0.00 C ATOM 585 CE LYS A 131 0.584 -2.448 6.996 1.00 0.00 C ATOM 586 NZ LYS A 131 -0.783 -2.725 7.523 1.00 0.00 N ATOM 0 H LYS A 131 3.262 2.173 3.608 1.00 0.00 H new ATOM 0 HA LYS A 131 2.168 -0.433 2.669 1.00 0.00 H new ATOM 0 HB2 LYS A 131 3.239 0.094 5.026 1.00 0.00 H new ATOM 0 HB3 LYS A 131 1.705 0.867 5.374 1.00 0.00 H new ATOM 0 HG2 LYS A 131 1.040 -1.618 4.129 1.00 0.00 H new ATOM 0 HG3 LYS A 131 2.328 -1.990 5.257 1.00 0.00 H new ATOM 0 HD2 LYS A 131 0.832 -0.307 6.822 1.00 0.00 H new ATOM 0 HD3 LYS A 131 -0.438 -0.959 5.807 1.00 0.00 H new ATOM 0 HE2 LYS A 131 0.918 -3.275 6.370 1.00 0.00 H new ATOM 0 HE3 LYS A 131 1.293 -2.365 7.820 1.00 0.00 H new ATOM 0 HZ1 LYS A 131 -0.841 -3.716 7.834 1.00 0.00 H new ATOM 0 HZ2 LYS A 131 -0.978 -2.097 8.329 1.00 0.00 H new ATOM 0 HZ3 LYS A 131 -1.485 -2.555 6.774 1.00 0.00 H new ATOM 600 N CYS A 132 -0.202 0.274 2.367 1.00 0.00 N ATOM 601 CA CYS A 132 -1.587 0.750 2.102 1.00 0.00 C ATOM 602 C CYS A 132 -2.381 0.727 3.409 1.00 0.00 C ATOM 603 O CYS A 132 -2.498 -0.293 4.057 1.00 0.00 O ATOM 604 CB CYS A 132 -2.254 -0.167 1.077 1.00 0.00 C ATOM 605 SG CYS A 132 -3.979 0.330 0.847 1.00 0.00 S ATOM 0 H CYS A 132 0.021 -0.646 1.988 1.00 0.00 H new ATOM 0 HA CYS A 132 -1.560 1.766 1.708 1.00 0.00 H new ATOM 0 HB2 CYS A 132 -1.721 -0.116 0.128 1.00 0.00 H new ATOM 0 HB3 CYS A 132 -2.205 -1.202 1.415 1.00 0.00 H new ATOM 610 N SER A 133 -2.922 1.846 3.806 1.00 0.00 N ATOM 611 CA SER A 133 -3.702 1.884 5.077 1.00 0.00 C ATOM 612 C SER A 133 -5.159 1.497 4.807 1.00 0.00 C ATOM 613 O SER A 133 -6.064 1.936 5.489 1.00 0.00 O ATOM 614 CB SER A 133 -3.644 3.295 5.669 1.00 0.00 C ATOM 615 OG SER A 133 -4.887 3.953 5.457 1.00 0.00 O ATOM 0 H SER A 133 -2.858 2.734 3.307 1.00 0.00 H new ATOM 0 HA SER A 133 -3.272 1.175 5.784 1.00 0.00 H new ATOM 0 HB2 SER A 133 -3.425 3.244 6.736 1.00 0.00 H new ATOM 0 HB3 SER A 133 -2.837 3.862 5.205 1.00 0.00 H new ATOM 0 HG SER A 133 -5.585 3.511 5.984 1.00 0.00 H new ATOM 621 N CYS A 134 -5.396 0.675 3.820 1.00 0.00 N ATOM 622 CA CYS A 134 -6.794 0.262 3.514 1.00 0.00 C ATOM 623 C CYS A 134 -6.845 -1.254 3.307 1.00 0.00 C ATOM 624 O CYS A 134 -7.811 -1.904 3.657 1.00 0.00 O ATOM 625 CB CYS A 134 -7.269 0.967 2.242 1.00 0.00 C ATOM 626 SG CYS A 134 -8.012 2.560 2.676 1.00 0.00 S ATOM 0 H CYS A 134 -4.682 0.272 3.213 1.00 0.00 H new ATOM 0 HA CYS A 134 -7.443 0.537 4.345 1.00 0.00 H new ATOM 0 HB2 CYS A 134 -6.430 1.118 1.562 1.00 0.00 H new ATOM 0 HB3 CYS A 134 -7.995 0.345 1.719 1.00 0.00 H new ATOM 0 HG CYS A 134 -8.414 3.160 1.595 1.00 0.00 H new ATOM 632 N CYS A 135 -5.816 -1.826 2.739 1.00 0.00 N ATOM 633 CA CYS A 135 -5.819 -3.299 2.511 1.00 0.00 C ATOM 634 C CYS A 135 -4.475 -3.900 2.939 1.00 0.00 C ATOM 635 O CYS A 135 -4.257 -5.090 2.827 1.00 0.00 O ATOM 636 CB CYS A 135 -6.059 -3.582 1.024 1.00 0.00 C ATOM 637 SG CYS A 135 -4.572 -3.171 0.072 1.00 0.00 S ATOM 0 H CYS A 135 -4.977 -1.338 2.425 1.00 0.00 H new ATOM 0 HA CYS A 135 -6.614 -3.752 3.103 1.00 0.00 H new ATOM 0 HB2 CYS A 135 -6.315 -4.632 0.881 1.00 0.00 H new ATOM 0 HB3 CYS A 135 -6.905 -2.996 0.665 1.00 0.00 H new ATOM 642 N GLU A 136 -3.569 -3.092 3.421 1.00 0.00 N ATOM 643 CA GLU A 136 -2.245 -3.633 3.842 1.00 0.00 C ATOM 644 C GLU A 136 -1.460 -4.055 2.600 1.00 0.00 C ATOM 645 O GLU A 136 -1.426 -5.215 2.236 1.00 0.00 O ATOM 646 CB GLU A 136 -2.454 -4.844 4.754 1.00 0.00 C ATOM 647 CG GLU A 136 -3.561 -4.538 5.765 1.00 0.00 C ATOM 648 CD GLU A 136 -3.746 -5.735 6.699 1.00 0.00 C ATOM 649 OE1 GLU A 136 -3.123 -6.754 6.452 1.00 0.00 O ATOM 650 OE2 GLU A 136 -4.509 -5.614 7.643 1.00 0.00 O ATOM 0 H GLU A 136 -3.688 -2.086 3.541 1.00 0.00 H new ATOM 0 HA GLU A 136 -1.690 -2.868 4.384 1.00 0.00 H new ATOM 0 HB2 GLU A 136 -2.721 -5.718 4.160 1.00 0.00 H new ATOM 0 HB3 GLU A 136 -1.527 -5.084 5.275 1.00 0.00 H new ATOM 0 HG2 GLU A 136 -3.305 -3.649 6.342 1.00 0.00 H new ATOM 0 HG3 GLU A 136 -4.494 -4.322 5.244 1.00 0.00 H new ATOM 657 N MET A 137 -0.835 -3.119 1.940 1.00 0.00 N ATOM 658 CA MET A 137 -0.060 -3.460 0.714 1.00 0.00 C ATOM 659 C MET A 137 1.231 -2.637 0.679 1.00 0.00 C ATOM 660 O MET A 137 1.208 -1.439 0.484 1.00 0.00 O ATOM 661 CB MET A 137 -0.904 -3.135 -0.520 1.00 0.00 C ATOM 662 CG MET A 137 -0.545 -4.090 -1.659 1.00 0.00 C ATOM 663 SD MET A 137 -2.053 -4.878 -2.276 1.00 0.00 S ATOM 664 CE MET A 137 -1.513 -5.091 -3.990 1.00 0.00 C ATOM 0 H MET A 137 -0.828 -2.132 2.197 1.00 0.00 H new ATOM 0 HA MET A 137 0.188 -4.521 0.721 1.00 0.00 H new ATOM 0 HB2 MET A 137 -1.964 -3.222 -0.280 1.00 0.00 H new ATOM 0 HB3 MET A 137 -0.731 -2.104 -0.829 1.00 0.00 H new ATOM 0 HG2 MET A 137 -0.050 -3.546 -2.463 1.00 0.00 H new ATOM 0 HG3 MET A 137 0.157 -4.846 -1.307 1.00 0.00 H new ATOM 0 HE1 MET A 137 -2.306 -5.569 -4.565 1.00 0.00 H new ATOM 0 HE2 MET A 137 -1.287 -4.117 -4.424 1.00 0.00 H new ATOM 0 HE3 MET A 137 -0.620 -5.715 -4.015 1.00 0.00 H new ATOM 674 N ASN A 138 2.357 -3.271 0.866 1.00 0.00 N ATOM 675 CA ASN A 138 3.646 -2.520 0.843 1.00 0.00 C ATOM 676 C ASN A 138 4.191 -2.483 -0.587 1.00 0.00 C ATOM 677 O ASN A 138 4.367 -3.505 -1.220 1.00 0.00 O ATOM 678 CB ASN A 138 4.657 -3.218 1.755 1.00 0.00 C ATOM 679 CG ASN A 138 4.005 -3.519 3.106 1.00 0.00 C ATOM 680 OD1 ASN A 138 4.132 -2.752 4.040 1.00 0.00 O ATOM 681 ND2 ASN A 138 3.309 -4.612 3.251 1.00 0.00 N ATOM 0 H ASN A 138 2.441 -4.274 1.033 1.00 0.00 H new ATOM 0 HA ASN A 138 3.480 -1.502 1.194 1.00 0.00 H new ATOM 0 HB2 ASN A 138 5.002 -4.142 1.292 1.00 0.00 H new ATOM 0 HB3 ASN A 138 5.533 -2.585 1.895 1.00 0.00 H new ATOM 0 HD21 ASN A 138 2.872 -4.823 4.148 1.00 0.00 H new ATOM 0 HD22 ASN A 138 3.202 -5.256 2.467 1.00 0.00 H new ATOM 688 N VAL A 139 4.461 -1.314 -1.099 1.00 0.00 N ATOM 689 CA VAL A 139 4.994 -1.215 -2.487 1.00 0.00 C ATOM 690 C VAL A 139 6.042 -0.102 -2.562 1.00 0.00 C ATOM 691 O VAL A 139 6.367 0.531 -1.574 1.00 0.00 O ATOM 692 CB VAL A 139 3.850 -0.900 -3.452 1.00 0.00 C ATOM 693 CG1 VAL A 139 3.146 -2.198 -3.849 1.00 0.00 C ATOM 694 CG2 VAL A 139 2.849 0.035 -2.769 1.00 0.00 C ATOM 0 H VAL A 139 4.336 -0.424 -0.617 1.00 0.00 H new ATOM 0 HA VAL A 139 5.455 -2.164 -2.762 1.00 0.00 H new ATOM 0 HB VAL A 139 4.249 -0.416 -4.343 1.00 0.00 H new ATOM 0 HG11 VAL A 139 2.331 -1.974 -4.537 1.00 0.00 H new ATOM 0 HG12 VAL A 139 3.858 -2.864 -4.336 1.00 0.00 H new ATOM 0 HG13 VAL A 139 2.746 -2.682 -2.958 1.00 0.00 H new ATOM 0 HG21 VAL A 139 2.034 0.260 -3.456 1.00 0.00 H new ATOM 0 HG22 VAL A 139 2.449 -0.448 -1.878 1.00 0.00 H new ATOM 0 HG23 VAL A 139 3.350 0.961 -2.486 1.00 0.00 H new ATOM 704 N HIS A 140 6.572 0.138 -3.731 1.00 0.00 N ATOM 705 CA HIS A 140 7.599 1.206 -3.886 1.00 0.00 C ATOM 706 C HIS A 140 6.907 2.560 -4.046 1.00 0.00 C ATOM 707 O HIS A 140 5.695 2.654 -4.037 1.00 0.00 O ATOM 708 CB HIS A 140 8.440 0.923 -5.132 1.00 0.00 C ATOM 709 CG HIS A 140 9.504 -0.089 -4.807 1.00 0.00 C ATOM 710 ND1 HIS A 140 9.415 -1.412 -5.212 1.00 0.00 N ATOM 711 CD2 HIS A 140 10.687 0.014 -4.119 1.00 0.00 C ATOM 712 CE1 HIS A 140 10.516 -2.046 -4.767 1.00 0.00 C ATOM 713 NE2 HIS A 140 11.324 -1.223 -4.096 1.00 0.00 N ATOM 0 H HIS A 140 6.336 -0.362 -4.588 1.00 0.00 H new ATOM 0 HA HIS A 140 8.240 1.224 -3.004 1.00 0.00 H new ATOM 0 HB2 HIS A 140 7.804 0.551 -5.935 1.00 0.00 H new ATOM 0 HB3 HIS A 140 8.899 1.845 -5.490 1.00 0.00 H new ATOM 0 HD2 HIS A 140 11.066 0.918 -3.665 1.00 0.00 H new ATOM 0 HE1 HIS A 140 10.720 -3.093 -4.933 1.00 0.00 H new ATOM 0 HE2 HIS A 140 12.217 -1.452 -3.660 1.00 0.00 H new ATOM 720 N ARG A 141 7.668 3.607 -4.200 1.00 0.00 N ATOM 721 CA ARG A 141 7.061 4.952 -4.371 1.00 0.00 C ATOM 722 C ARG A 141 6.751 5.169 -5.854 1.00 0.00 C ATOM 723 O ARG A 141 5.875 5.931 -6.213 1.00 0.00 O ATOM 724 CB ARG A 141 8.051 6.014 -3.883 1.00 0.00 C ATOM 725 CG ARG A 141 7.645 7.387 -4.420 1.00 0.00 C ATOM 726 CD ARG A 141 8.224 8.480 -3.517 1.00 0.00 C ATOM 727 NE ARG A 141 8.799 9.567 -4.359 1.00 0.00 N ATOM 728 CZ ARG A 141 9.234 10.664 -3.800 1.00 0.00 C ATOM 729 NH1 ARG A 141 9.925 10.603 -2.694 1.00 0.00 N ATOM 730 NH2 ARG A 141 8.979 11.821 -4.347 1.00 0.00 N ATOM 0 H ARG A 141 8.688 3.587 -4.215 1.00 0.00 H new ATOM 0 HA ARG A 141 6.140 5.028 -3.793 1.00 0.00 H new ATOM 0 HB2 ARG A 141 8.072 6.031 -2.793 1.00 0.00 H new ATOM 0 HB3 ARG A 141 9.058 5.766 -4.217 1.00 0.00 H new ATOM 0 HG2 ARG A 141 8.009 7.513 -5.440 1.00 0.00 H new ATOM 0 HG3 ARG A 141 6.559 7.468 -4.457 1.00 0.00 H new ATOM 0 HD2 ARG A 141 7.445 8.881 -2.868 1.00 0.00 H new ATOM 0 HD3 ARG A 141 8.994 8.061 -2.869 1.00 0.00 H new ATOM 0 HE ARG A 141 8.853 9.454 -5.371 1.00 0.00 H new ATOM 0 HH11 ARG A 141 10.125 9.699 -2.267 1.00 0.00 H new ATOM 0 HH12 ARG A 141 10.265 11.460 -2.257 1.00 0.00 H new ATOM 0 HH21 ARG A 141 8.440 11.869 -5.211 1.00 0.00 H new ATOM 0 HH22 ARG A 141 9.319 12.678 -3.910 1.00 0.00 H new ATOM 744 N ARG A 142 7.464 4.498 -6.717 1.00 0.00 N ATOM 745 CA ARG A 142 7.214 4.656 -8.177 1.00 0.00 C ATOM 746 C ARG A 142 6.448 3.437 -8.698 1.00 0.00 C ATOM 747 O ARG A 142 6.152 3.333 -9.872 1.00 0.00 O ATOM 748 CB ARG A 142 8.550 4.776 -8.913 1.00 0.00 C ATOM 749 CG ARG A 142 9.340 3.477 -8.753 1.00 0.00 C ATOM 750 CD ARG A 142 10.789 3.703 -9.188 1.00 0.00 C ATOM 751 NE ARG A 142 10.849 3.809 -10.673 1.00 0.00 N ATOM 752 CZ ARG A 142 11.954 3.518 -11.305 1.00 0.00 C ATOM 753 NH1 ARG A 142 13.091 4.000 -10.884 1.00 0.00 N ATOM 754 NH2 ARG A 142 11.921 2.747 -12.357 1.00 0.00 N ATOM 0 H ARG A 142 8.210 3.846 -6.473 1.00 0.00 H new ATOM 0 HA ARG A 142 6.624 5.556 -8.350 1.00 0.00 H new ATOM 0 HB2 ARG A 142 8.378 4.981 -9.970 1.00 0.00 H new ATOM 0 HB3 ARG A 142 9.123 5.614 -8.515 1.00 0.00 H new ATOM 0 HG2 ARG A 142 9.308 3.145 -7.715 1.00 0.00 H new ATOM 0 HG3 ARG A 142 8.888 2.688 -9.354 1.00 0.00 H new ATOM 0 HD2 ARG A 142 11.180 4.612 -8.731 1.00 0.00 H new ATOM 0 HD3 ARG A 142 11.416 2.880 -8.846 1.00 0.00 H new ATOM 0 HE ARG A 142 10.026 4.109 -11.196 1.00 0.00 H new ATOM 0 HH11 ARG A 142 13.116 4.603 -10.062 1.00 0.00 H new ATOM 0 HH12 ARG A 142 13.955 3.773 -11.377 1.00 0.00 H new ATOM 0 HH21 ARG A 142 11.032 2.371 -12.686 1.00 0.00 H new ATOM 0 HH22 ARG A 142 12.784 2.520 -12.850 1.00 0.00 H new ATOM 768 N CYS A 143 6.122 2.512 -7.834 1.00 0.00 N ATOM 769 CA CYS A 143 5.374 1.305 -8.282 1.00 0.00 C ATOM 770 C CYS A 143 3.872 1.575 -8.178 1.00 0.00 C ATOM 771 O CYS A 143 3.068 0.920 -8.812 1.00 0.00 O ATOM 772 CB CYS A 143 5.741 0.116 -7.391 1.00 0.00 C ATOM 773 SG CYS A 143 7.185 -0.732 -8.081 1.00 0.00 S ATOM 0 H CYS A 143 6.342 2.542 -6.838 1.00 0.00 H new ATOM 0 HA CYS A 143 5.635 1.077 -9.315 1.00 0.00 H new ATOM 0 HB2 CYS A 143 5.956 0.459 -6.379 1.00 0.00 H new ATOM 0 HB3 CYS A 143 4.900 -0.574 -7.322 1.00 0.00 H new ATOM 778 N VAL A 144 3.487 2.540 -7.387 1.00 0.00 N ATOM 779 CA VAL A 144 2.039 2.855 -7.245 1.00 0.00 C ATOM 780 C VAL A 144 1.499 3.374 -8.580 1.00 0.00 C ATOM 781 O VAL A 144 0.353 3.160 -8.923 1.00 0.00 O ATOM 782 CB VAL A 144 1.853 3.929 -6.171 1.00 0.00 C ATOM 783 CG1 VAL A 144 0.360 4.146 -5.916 1.00 0.00 C ATOM 784 CG2 VAL A 144 2.527 3.475 -4.874 1.00 0.00 C ATOM 0 H VAL A 144 4.114 3.123 -6.833 1.00 0.00 H new ATOM 0 HA VAL A 144 1.498 1.954 -6.956 1.00 0.00 H new ATOM 0 HB VAL A 144 2.304 4.862 -6.511 1.00 0.00 H new ATOM 0 HG11 VAL A 144 0.229 4.911 -5.151 1.00 0.00 H new ATOM 0 HG12 VAL A 144 -0.124 4.468 -6.838 1.00 0.00 H new ATOM 0 HG13 VAL A 144 -0.091 3.213 -5.577 1.00 0.00 H new ATOM 0 HG21 VAL A 144 2.395 4.240 -4.108 1.00 0.00 H new ATOM 0 HG22 VAL A 144 2.076 2.542 -4.537 1.00 0.00 H new ATOM 0 HG23 VAL A 144 3.591 3.320 -5.052 1.00 0.00 H new ATOM 794 N ARG A 145 2.319 4.052 -9.336 1.00 0.00 N ATOM 795 CA ARG A 145 1.855 4.583 -10.649 1.00 0.00 C ATOM 796 C ARG A 145 1.502 3.417 -11.573 1.00 0.00 C ATOM 797 O ARG A 145 0.822 3.582 -12.566 1.00 0.00 O ATOM 798 CB ARG A 145 2.971 5.417 -11.283 1.00 0.00 C ATOM 799 CG ARG A 145 2.358 6.590 -12.050 1.00 0.00 C ATOM 800 CD ARG A 145 3.439 7.634 -12.334 1.00 0.00 C ATOM 801 NE ARG A 145 4.227 7.222 -13.530 1.00 0.00 N ATOM 802 CZ ARG A 145 5.531 7.297 -13.510 1.00 0.00 C ATOM 803 NH1 ARG A 145 6.115 8.410 -13.160 1.00 0.00 N ATOM 804 NH2 ARG A 145 6.248 6.259 -13.842 1.00 0.00 N ATOM 0 H ARG A 145 3.289 4.261 -9.101 1.00 0.00 H new ATOM 0 HA ARG A 145 0.974 5.207 -10.499 1.00 0.00 H new ATOM 0 HB2 ARG A 145 3.647 5.786 -10.512 1.00 0.00 H new ATOM 0 HB3 ARG A 145 3.564 4.798 -11.957 1.00 0.00 H new ATOM 0 HG2 ARG A 145 1.922 6.239 -12.985 1.00 0.00 H new ATOM 0 HG3 ARG A 145 1.550 7.036 -11.469 1.00 0.00 H new ATOM 0 HD2 ARG A 145 2.982 8.609 -12.505 1.00 0.00 H new ATOM 0 HD3 ARG A 145 4.096 7.737 -11.470 1.00 0.00 H new ATOM 0 HE ARG A 145 3.748 6.882 -14.364 1.00 0.00 H new ATOM 0 HH11 ARG A 145 5.553 9.221 -12.902 1.00 0.00 H new ATOM 0 HH12 ARG A 145 7.133 8.469 -13.144 1.00 0.00 H new ATOM 0 HH21 ARG A 145 5.790 5.390 -14.117 1.00 0.00 H new ATOM 0 HH22 ARG A 145 7.266 6.317 -13.827 1.00 0.00 H new ATOM 818 N SER A 146 1.961 2.240 -11.252 1.00 0.00 N ATOM 819 CA SER A 146 1.655 1.061 -12.110 1.00 0.00 C ATOM 820 C SER A 146 0.412 0.353 -11.571 1.00 0.00 C ATOM 821 O SER A 146 -0.299 -0.315 -12.296 1.00 0.00 O ATOM 822 CB SER A 146 2.840 0.097 -12.091 1.00 0.00 C ATOM 823 OG SER A 146 4.040 0.822 -12.325 1.00 0.00 O ATOM 0 H SER A 146 2.535 2.043 -10.432 1.00 0.00 H new ATOM 0 HA SER A 146 1.472 1.390 -13.133 1.00 0.00 H new ATOM 0 HB2 SER A 146 2.892 -0.414 -11.130 1.00 0.00 H new ATOM 0 HB3 SER A 146 2.711 -0.671 -12.854 1.00 0.00 H new ATOM 0 HG SER A 146 4.802 0.206 -12.312 1.00 0.00 H new ATOM 829 N VAL A 147 0.142 0.497 -10.303 1.00 0.00 N ATOM 830 CA VAL A 147 -1.056 -0.166 -9.715 1.00 0.00 C ATOM 831 C VAL A 147 -2.321 0.407 -10.363 1.00 0.00 C ATOM 832 O VAL A 147 -2.392 1.590 -10.633 1.00 0.00 O ATOM 833 CB VAL A 147 -1.087 0.097 -8.208 1.00 0.00 C ATOM 834 CG1 VAL A 147 -2.310 -0.583 -7.593 1.00 0.00 C ATOM 835 CG2 VAL A 147 0.184 -0.465 -7.570 1.00 0.00 C ATOM 0 H VAL A 147 0.699 1.045 -9.648 1.00 0.00 H new ATOM 0 HA VAL A 147 -1.011 -1.240 -9.897 1.00 0.00 H new ATOM 0 HB VAL A 147 -1.143 1.171 -8.028 1.00 0.00 H new ATOM 0 HG11 VAL A 147 -2.330 -0.394 -6.520 1.00 0.00 H new ATOM 0 HG12 VAL A 147 -3.216 -0.183 -8.049 1.00 0.00 H new ATOM 0 HG13 VAL A 147 -2.257 -1.657 -7.772 1.00 0.00 H new ATOM 0 HG21 VAL A 147 0.165 -0.279 -6.496 1.00 0.00 H new ATOM 0 HG22 VAL A 147 0.238 -1.538 -7.752 1.00 0.00 H new ATOM 0 HG23 VAL A 147 1.056 0.021 -8.007 1.00 0.00 H new ATOM 845 N PRO A 148 -3.285 -0.449 -10.597 1.00 0.00 N ATOM 846 CA PRO A 148 -4.565 -0.058 -11.215 1.00 0.00 C ATOM 847 C PRO A 148 -5.508 0.576 -10.183 1.00 0.00 C ATOM 848 O PRO A 148 -6.709 0.602 -10.368 1.00 0.00 O ATOM 849 CB PRO A 148 -5.137 -1.386 -11.718 1.00 0.00 C ATOM 850 CG PRO A 148 -4.466 -2.499 -10.877 1.00 0.00 C ATOM 851 CD PRO A 148 -3.186 -1.889 -10.276 1.00 0.00 C ATOM 0 HA PRO A 148 -4.441 0.685 -12.003 1.00 0.00 H new ATOM 0 HB2 PRO A 148 -6.220 -1.411 -11.601 1.00 0.00 H new ATOM 0 HB3 PRO A 148 -4.928 -1.522 -12.779 1.00 0.00 H new ATOM 0 HG2 PRO A 148 -5.136 -2.846 -10.090 1.00 0.00 H new ATOM 0 HG3 PRO A 148 -4.228 -3.363 -11.498 1.00 0.00 H new ATOM 0 HD2 PRO A 148 -3.133 -2.054 -9.200 1.00 0.00 H new ATOM 0 HD3 PRO A 148 -2.291 -2.333 -10.711 1.00 0.00 H new ATOM 859 N SER A 149 -4.984 1.086 -9.100 1.00 0.00 N ATOM 860 CA SER A 149 -5.862 1.711 -8.072 1.00 0.00 C ATOM 861 C SER A 149 -6.984 0.739 -7.701 1.00 0.00 C ATOM 862 O SER A 149 -8.147 0.997 -7.939 1.00 0.00 O ATOM 863 CB SER A 149 -6.472 2.999 -8.631 1.00 0.00 C ATOM 864 OG SER A 149 -6.393 2.980 -10.050 1.00 0.00 O ATOM 0 H SER A 149 -3.987 1.096 -8.884 1.00 0.00 H new ATOM 0 HA SER A 149 -5.271 1.944 -7.186 1.00 0.00 H new ATOM 0 HB2 SER A 149 -7.511 3.090 -8.315 1.00 0.00 H new ATOM 0 HB3 SER A 149 -5.942 3.866 -8.238 1.00 0.00 H new ATOM 0 HG SER A 149 -7.027 2.322 -10.404 1.00 0.00 H new ATOM 870 N LEU A 150 -6.644 -0.377 -7.119 1.00 0.00 N ATOM 871 CA LEU A 150 -7.690 -1.364 -6.734 1.00 0.00 C ATOM 872 C LEU A 150 -7.511 -1.751 -5.265 1.00 0.00 C ATOM 873 O LEU A 150 -7.087 -2.845 -4.949 1.00 0.00 O ATOM 874 CB LEU A 150 -7.560 -2.613 -7.608 1.00 0.00 C ATOM 875 CG LEU A 150 -8.902 -2.909 -8.278 1.00 0.00 C ATOM 876 CD1 LEU A 150 -8.678 -3.199 -9.763 1.00 0.00 C ATOM 877 CD2 LEU A 150 -9.544 -4.127 -7.613 1.00 0.00 C ATOM 0 H LEU A 150 -5.687 -0.648 -6.893 1.00 0.00 H new ATOM 0 HA LEU A 150 -8.676 -0.921 -6.876 1.00 0.00 H new ATOM 0 HB2 LEU A 150 -6.790 -2.462 -8.364 1.00 0.00 H new ATOM 0 HB3 LEU A 150 -7.249 -3.463 -7.001 1.00 0.00 H new ATOM 0 HG LEU A 150 -9.560 -2.046 -8.172 1.00 0.00 H new ATOM 0 HD11 LEU A 150 -9.635 -3.410 -10.241 1.00 0.00 H new ATOM 0 HD12 LEU A 150 -8.219 -2.332 -10.238 1.00 0.00 H new ATOM 0 HD13 LEU A 150 -8.021 -4.062 -9.870 1.00 0.00 H new ATOM 0 HD21 LEU A 150 -10.501 -4.339 -8.089 1.00 0.00 H new ATOM 0 HD22 LEU A 150 -8.886 -4.989 -7.720 1.00 0.00 H new ATOM 0 HD23 LEU A 150 -9.703 -3.922 -6.554 1.00 0.00 H new ATOM 889 N CYS A 151 -7.833 -0.864 -4.363 1.00 0.00 N ATOM 890 CA CYS A 151 -7.680 -1.187 -2.917 1.00 0.00 C ATOM 891 C CYS A 151 -8.869 -2.032 -2.458 1.00 0.00 C ATOM 892 O CYS A 151 -9.852 -1.522 -1.957 1.00 0.00 O ATOM 893 CB CYS A 151 -7.626 0.110 -2.106 1.00 0.00 C ATOM 894 SG CYS A 151 -6.945 -0.235 -0.465 1.00 0.00 S ATOM 0 H CYS A 151 -8.195 0.068 -4.565 1.00 0.00 H new ATOM 0 HA CYS A 151 -6.757 -1.746 -2.763 1.00 0.00 H new ATOM 0 HB2 CYS A 151 -7.010 0.848 -2.620 1.00 0.00 H new ATOM 0 HB3 CYS A 151 -8.625 0.537 -2.015 1.00 0.00 H new ATOM 899 N GLY A 152 -8.787 -3.323 -2.628 1.00 0.00 N ATOM 900 CA GLY A 152 -9.910 -4.206 -2.205 1.00 0.00 C ATOM 901 C GLY A 152 -10.521 -4.875 -3.437 1.00 0.00 C ATOM 902 O GLY A 152 -11.270 -4.272 -4.177 1.00 0.00 O ATOM 0 H GLY A 152 -7.989 -3.805 -3.042 1.00 0.00 H new ATOM 0 HA2 GLY A 152 -9.550 -4.962 -1.508 1.00 0.00 H new ATOM 0 HA3 GLY A 152 -10.667 -3.624 -1.680 1.00 0.00 H new ATOM 906 N VAL A 153 -10.203 -6.120 -3.662 1.00 0.00 N ATOM 907 CA VAL A 153 -10.763 -6.829 -4.848 1.00 0.00 C ATOM 908 C VAL A 153 -11.795 -7.859 -4.385 1.00 0.00 C ATOM 909 O VAL A 153 -11.462 -8.977 -4.047 1.00 0.00 O ATOM 910 CB VAL A 153 -9.639 -7.539 -5.605 1.00 0.00 C ATOM 911 CG1 VAL A 153 -9.966 -7.561 -7.099 1.00 0.00 C ATOM 912 CG2 VAL A 153 -8.316 -6.798 -5.387 1.00 0.00 C ATOM 0 H VAL A 153 -9.580 -6.677 -3.077 1.00 0.00 H new ATOM 0 HA VAL A 153 -11.240 -6.105 -5.508 1.00 0.00 H new ATOM 0 HB VAL A 153 -9.546 -8.560 -5.234 1.00 0.00 H new ATOM 0 HG11 VAL A 153 -9.166 -8.067 -7.639 1.00 0.00 H new ATOM 0 HG12 VAL A 153 -10.904 -8.093 -7.258 1.00 0.00 H new ATOM 0 HG13 VAL A 153 -10.062 -6.539 -7.466 1.00 0.00 H new ATOM 0 HG21 VAL A 153 -7.520 -7.308 -5.929 1.00 0.00 H new ATOM 0 HG22 VAL A 153 -8.407 -5.776 -5.754 1.00 0.00 H new ATOM 0 HG23 VAL A 153 -8.079 -6.782 -4.323 1.00 0.00 H new ATOM 922 N ASP A 154 -13.046 -7.489 -4.365 1.00 0.00 N ATOM 923 CA ASP A 154 -14.099 -8.444 -3.922 1.00 0.00 C ATOM 924 C ASP A 154 -14.857 -8.971 -5.143 1.00 0.00 C ATOM 925 O ASP A 154 -14.654 -8.521 -6.253 1.00 0.00 O ATOM 926 CB ASP A 154 -15.075 -7.728 -2.986 1.00 0.00 C ATOM 927 CG ASP A 154 -14.295 -7.028 -1.871 1.00 0.00 C ATOM 928 OD1 ASP A 154 -13.384 -7.640 -1.337 1.00 0.00 O ATOM 929 OD2 ASP A 154 -14.622 -5.892 -1.570 1.00 0.00 O ATOM 0 H ASP A 154 -13.384 -6.566 -4.637 1.00 0.00 H new ATOM 0 HA ASP A 154 -13.635 -9.278 -3.395 1.00 0.00 H new ATOM 0 HB2 ASP A 154 -15.663 -7.000 -3.545 1.00 0.00 H new ATOM 0 HB3 ASP A 154 -15.777 -8.444 -2.559 1.00 0.00 H new ATOM 934 N HIS A 155 -15.729 -9.921 -4.946 1.00 0.00 N ATOM 935 CA HIS A 155 -16.500 -10.476 -6.094 1.00 0.00 C ATOM 936 C HIS A 155 -15.544 -10.797 -7.246 1.00 0.00 C ATOM 937 O HIS A 155 -15.712 -10.328 -8.354 1.00 0.00 O ATOM 938 CB HIS A 155 -17.531 -9.445 -6.559 1.00 0.00 C ATOM 939 CG HIS A 155 -18.512 -10.101 -7.490 1.00 0.00 C ATOM 940 ND1 HIS A 155 -18.315 -10.143 -8.861 1.00 0.00 N ATOM 941 CD2 HIS A 155 -19.702 -10.747 -7.264 1.00 0.00 C ATOM 942 CE1 HIS A 155 -19.361 -10.794 -9.403 1.00 0.00 C ATOM 943 NE2 HIS A 155 -20.236 -11.184 -8.471 1.00 0.00 N ATOM 0 H HIS A 155 -15.941 -10.337 -4.039 1.00 0.00 H new ATOM 0 HA HIS A 155 -17.010 -11.387 -5.783 1.00 0.00 H new ATOM 0 HB2 HIS A 155 -18.054 -9.025 -5.700 1.00 0.00 H new ATOM 0 HB3 HIS A 155 -17.032 -8.618 -7.064 1.00 0.00 H new ATOM 0 HD1 HIS A 155 -17.521 -9.751 -9.368 1.00 0.00 H new ATOM 0 HD2 HIS A 155 -20.155 -10.894 -6.295 1.00 0.00 H new ATOM 0 HE1 HIS A 155 -19.479 -10.978 -10.461 1.00 0.00 H new ATOM 951 N THR A 156 -14.543 -11.594 -6.993 1.00 0.00 N ATOM 952 CA THR A 156 -13.578 -11.945 -8.072 1.00 0.00 C ATOM 953 C THR A 156 -14.071 -13.190 -8.814 1.00 0.00 C ATOM 954 O THR A 156 -15.251 -13.481 -8.841 1.00 0.00 O ATOM 955 CB THR A 156 -12.205 -12.227 -7.458 1.00 0.00 C ATOM 956 OG1 THR A 156 -12.224 -13.503 -6.831 1.00 0.00 O ATOM 957 CG2 THR A 156 -11.876 -11.152 -6.421 1.00 0.00 C ATOM 0 H THR A 156 -14.352 -12.018 -6.085 1.00 0.00 H new ATOM 0 HA THR A 156 -13.499 -11.113 -8.772 1.00 0.00 H new ATOM 0 HB THR A 156 -11.447 -12.216 -8.241 1.00 0.00 H new ATOM 0 HG1 THR A 156 -11.345 -13.688 -6.438 1.00 0.00 H new ATOM 0 HG21 THR A 156 -10.898 -11.355 -5.985 1.00 0.00 H new ATOM 0 HG22 THR A 156 -11.863 -10.174 -6.902 1.00 0.00 H new ATOM 0 HG23 THR A 156 -12.632 -11.160 -5.636 1.00 0.00 H new ATOM 965 N GLU A 157 -13.178 -13.926 -9.416 1.00 0.00 N ATOM 966 CA GLU A 157 -13.596 -15.151 -10.155 1.00 0.00 C ATOM 967 C GLU A 157 -13.948 -16.256 -9.156 1.00 0.00 C ATOM 968 O GLU A 157 -13.084 -16.926 -8.628 1.00 0.00 O ATOM 969 CB GLU A 157 -12.451 -15.622 -11.053 1.00 0.00 C ATOM 970 CG GLU A 157 -12.370 -14.727 -12.291 1.00 0.00 C ATOM 971 CD GLU A 157 -13.577 -14.991 -13.193 1.00 0.00 C ATOM 972 OE1 GLU A 157 -14.148 -16.064 -13.084 1.00 0.00 O ATOM 973 OE2 GLU A 157 -13.909 -14.118 -13.976 1.00 0.00 O ATOM 0 H GLU A 157 -12.177 -13.732 -9.428 1.00 0.00 H new ATOM 0 HA GLU A 157 -14.468 -14.924 -10.768 1.00 0.00 H new ATOM 0 HB2 GLU A 157 -11.509 -15.589 -10.506 1.00 0.00 H new ATOM 0 HB3 GLU A 157 -12.611 -16.658 -11.351 1.00 0.00 H new ATOM 0 HG2 GLU A 157 -12.347 -13.679 -11.994 1.00 0.00 H new ATOM 0 HG3 GLU A 157 -11.446 -14.924 -12.835 1.00 0.00 H new ATOM 980 N ARG A 158 -15.211 -16.450 -8.894 1.00 0.00 N ATOM 981 CA ARG A 158 -15.616 -17.512 -7.930 1.00 0.00 C ATOM 982 C ARG A 158 -16.267 -18.668 -8.691 1.00 0.00 C ATOM 983 O ARG A 158 -15.824 -19.797 -8.623 1.00 0.00 O ATOM 984 CB ARG A 158 -16.615 -16.935 -6.926 1.00 0.00 C ATOM 985 CG ARG A 158 -16.066 -15.627 -6.354 1.00 0.00 C ATOM 986 CD ARG A 158 -16.203 -15.638 -4.830 1.00 0.00 C ATOM 987 NE ARG A 158 -15.171 -16.540 -4.245 1.00 0.00 N ATOM 988 CZ ARG A 158 -13.977 -16.083 -3.984 1.00 0.00 C ATOM 989 NH1 ARG A 158 -13.832 -14.904 -3.444 1.00 0.00 N ATOM 990 NH2 ARG A 158 -12.926 -16.805 -4.265 1.00 0.00 N ATOM 0 H ARG A 158 -15.979 -15.920 -9.305 1.00 0.00 H new ATOM 0 HA ARG A 158 -14.737 -17.876 -7.398 1.00 0.00 H new ATOM 0 HB2 ARG A 158 -17.574 -16.757 -7.412 1.00 0.00 H new ATOM 0 HB3 ARG A 158 -16.793 -17.649 -6.122 1.00 0.00 H new ATOM 0 HG2 ARG A 158 -15.020 -15.506 -6.635 1.00 0.00 H new ATOM 0 HG3 ARG A 158 -16.608 -14.779 -6.772 1.00 0.00 H new ATOM 0 HD2 ARG A 158 -16.084 -14.629 -4.436 1.00 0.00 H new ATOM 0 HD3 ARG A 158 -17.200 -15.976 -4.546 1.00 0.00 H new ATOM 0 HE ARG A 158 -15.398 -17.515 -4.049 1.00 0.00 H new ATOM 0 HH11 ARG A 158 -14.652 -14.339 -3.226 1.00 0.00 H new ATOM 0 HH12 ARG A 158 -12.898 -14.548 -3.240 1.00 0.00 H new ATOM 0 HH21 ARG A 158 -13.038 -17.726 -4.688 1.00 0.00 H new ATOM 0 HH22 ARG A 158 -11.993 -16.448 -4.061 1.00 0.00 H new ATOM 1004 N ARG A 159 -17.319 -18.397 -9.414 1.00 0.00 N ATOM 1005 CA ARG A 159 -17.997 -19.482 -10.178 1.00 0.00 C ATOM 1006 C ARG A 159 -18.654 -18.893 -11.428 1.00 0.00 C ATOM 1007 O ARG A 159 -18.429 -17.724 -11.698 1.00 0.00 O ATOM 1008 CB ARG A 159 -19.066 -20.132 -9.297 1.00 0.00 C ATOM 1009 CG ARG A 159 -19.866 -19.044 -8.578 1.00 0.00 C ATOM 1010 CD ARG A 159 -21.324 -19.488 -8.443 1.00 0.00 C ATOM 1011 NE ARG A 159 -22.162 -18.324 -8.036 1.00 0.00 N ATOM 1012 CZ ARG A 159 -22.524 -17.438 -8.923 1.00 0.00 C ATOM 1013 NH1 ARG A 159 -22.935 -17.823 -10.100 1.00 0.00 N ATOM 1014 NH2 ARG A 159 -22.476 -16.167 -8.632 1.00 0.00 N ATOM 1015 OXT ARG A 159 -19.371 -19.620 -12.095 1.00 0.00 O ATOM 0 H ARG A 159 -17.738 -17.472 -9.509 1.00 0.00 H new ATOM 0 HA ARG A 159 -17.264 -20.232 -10.474 1.00 0.00 H new ATOM 0 HB2 ARG A 159 -19.731 -20.745 -9.906 1.00 0.00 H new ATOM 0 HB3 ARG A 159 -18.599 -20.795 -8.569 1.00 0.00 H new ATOM 0 HG2 ARG A 159 -19.440 -18.855 -7.593 1.00 0.00 H new ATOM 0 HG3 ARG A 159 -19.810 -18.108 -9.134 1.00 0.00 H new ATOM 0 HD2 ARG A 159 -21.681 -19.894 -9.390 1.00 0.00 H new ATOM 0 HD3 ARG A 159 -21.406 -20.285 -7.704 1.00 0.00 H new ATOM 0 HE ARG A 159 -22.452 -18.220 -7.064 1.00 0.00 H new ATOM 0 HH11 ARG A 159 -22.973 -18.817 -10.327 1.00 0.00 H new ATOM 0 HH12 ARG A 159 -23.218 -17.130 -10.793 1.00 0.00 H new ATOM 0 HH21 ARG A 159 -22.156 -15.866 -7.711 1.00 0.00 H new ATOM 0 HH22 ARG A 159 -22.759 -15.474 -9.325 1.00 0.00 H new TER 1029 ARG A 159 HETATM 1030 ZN ZN A 1 -4.823 -1.055 -0.790 1.00 0.00 ZN HETATM 1031 ZN ZN A 2 8.011 -2.139 -6.457 1.00 0.00 ZN