USER MOD reduce.3.24.130724 H: found=0, std=0, add=573, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 569 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 74 HIS : no HD1:sc= 0 X(o=-0.22,f=-0.47) USER MOD Set 1.2: A 76 HIS : no HD1:sc= -0.217 X(o=-0.22,f=0.027) USER MOD Set 2.1: A 38 MET CE :methyl -152:sc= -0.962 (180deg=-2.18!) USER MOD Set 2.2: A 48 MET CE :methyl 162:sc= -5.06! (180deg=-5.6!) USER MOD Set 3.1: A 20 THR OG1 : rot 25:sc= -0.592 USER MOD Set 3.2: A 51 TYR OH : rot 60:sc= 0.576 USER MOD Single : A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 LYS NZ :NH3+ -151:sc= 1.2 (180deg=0.362) USER MOD Single : A 4 GLN : amide:sc= 0.433 X(o=0.43,f=0) USER MOD Single : A 5 THR OG1 : rot 56:sc= 0.363 USER MOD Single : A 6 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 THR OG1 : rot 180:sc= -2.5! USER MOD Single : A 14 GLN : amide:sc= -2.18 X(o=-2.2,f=-2.6) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 GLN : amide:sc= -0.945 K(o=-0.95,f=-2.7) USER MOD Single : A 22 SER OG : rot 97:sc= 1.2 USER MOD Single : A 24 LYS NZ :NH3+ -104:sc= 0.313 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 THR OG1 : rot -64:sc= 0.416 USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 SER OG : rot 69:sc= 1.2 USER MOD Single : A 40 SER OG : rot 92:sc= 1.13 USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 47 GLN : amide:sc= 0.321 K(o=0.32,f=-6!) USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 GLN : amide:sc= -0.0778 X(o=-0.078,f=-0.055) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 66 ASN : amide:sc= 0 X(o=0,f=-0.0021) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 HIS : no HD1:sc= -1.44! K(o=-1.4!,f=0.43) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -20.443 8.839 -5.525 1.00 0.00 N ATOM 2 CA ALA A 1 -19.271 8.490 -4.746 1.00 0.00 C ATOM 3 C ALA A 1 -18.240 9.586 -4.894 1.00 0.00 C ATOM 4 O ALA A 1 -17.837 9.925 -6.010 1.00 0.00 O ATOM 5 CB ALA A 1 -18.703 7.148 -5.193 1.00 0.00 C ATOM 0 H1 ALA A 1 -21.159 8.091 -5.430 1.00 0.00 H new ATOM 0 H2 ALA A 1 -20.834 9.738 -5.179 1.00 0.00 H new ATOM 0 H3 ALA A 1 -20.178 8.939 -6.526 1.00 0.00 H new ATOM 0 HA ALA A 1 -19.549 8.394 -3.697 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -17.824 6.907 -4.594 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -19.456 6.372 -5.060 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -18.421 7.204 -6.244 1.00 0.00 H new ATOM 13 N ASP A 2 -17.834 10.151 -3.796 1.00 0.00 N ATOM 14 CA ASP A 2 -16.860 11.222 -3.793 1.00 0.00 C ATOM 15 C ASP A 2 -15.513 10.717 -3.408 1.00 0.00 C ATOM 16 O ASP A 2 -15.377 9.612 -2.853 1.00 0.00 O ATOM 17 CB ASP A 2 -17.264 12.361 -2.855 1.00 0.00 C ATOM 18 CG ASP A 2 -18.316 13.248 -3.436 1.00 0.00 C ATOM 19 OD1 ASP A 2 -19.516 12.993 -3.240 1.00 0.00 O ATOM 20 OD2 ASP A 2 -17.960 14.230 -4.114 1.00 0.00 O ATOM 0 H ASP A 2 -18.166 9.887 -2.868 1.00 0.00 H new ATOM 0 HA ASP A 2 -16.822 11.613 -4.810 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -17.628 11.941 -1.917 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -16.384 12.958 -2.617 1.00 0.00 H new ATOM 25 N LYS A 3 -14.514 11.506 -3.693 1.00 0.00 N ATOM 26 CA LYS A 3 -13.175 11.161 -3.346 1.00 0.00 C ATOM 27 C LYS A 3 -12.894 11.545 -1.921 1.00 0.00 C ATOM 28 O LYS A 3 -12.583 12.696 -1.629 1.00 0.00 O ATOM 29 CB LYS A 3 -12.150 11.782 -4.294 1.00 0.00 C ATOM 30 CG LYS A 3 -12.235 11.291 -5.731 1.00 0.00 C ATOM 31 CD LYS A 3 -12.042 9.785 -5.815 1.00 0.00 C ATOM 32 CE LYS A 3 -12.065 9.299 -7.250 1.00 0.00 C ATOM 33 NZ LYS A 3 -11.956 7.836 -7.332 1.00 0.00 N ATOM 0 H LYS A 3 -14.611 12.402 -4.171 1.00 0.00 H new ATOM 0 HA LYS A 3 -13.078 10.080 -3.447 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -12.277 12.865 -4.286 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -11.150 11.575 -3.912 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -13.204 11.559 -6.152 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -11.476 11.791 -6.333 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -11.093 9.513 -5.353 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -12.827 9.285 -5.248 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -12.990 9.622 -7.728 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -11.244 9.756 -7.802 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -11.496 7.572 -8.227 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -11.389 7.485 -6.534 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -12.906 7.414 -7.293 1.00 0.00 H new ATOM 47 N GLN A 4 -13.108 10.571 -1.050 1.00 0.00 N ATOM 48 CA GLN A 4 -12.858 10.603 0.401 1.00 0.00 C ATOM 49 C GLN A 4 -13.650 11.658 1.150 1.00 0.00 C ATOM 50 O GLN A 4 -14.373 12.483 0.582 1.00 0.00 O ATOM 51 CB GLN A 4 -11.338 10.706 0.786 1.00 0.00 C ATOM 52 CG GLN A 4 -10.679 12.060 0.543 1.00 0.00 C ATOM 53 CD GLN A 4 -9.258 12.108 1.021 1.00 0.00 C ATOM 54 OE1 GLN A 4 -8.335 11.797 0.274 1.00 0.00 O ATOM 55 NE2 GLN A 4 -9.064 12.498 2.257 1.00 0.00 N ATOM 0 H GLN A 4 -13.487 9.672 -1.348 1.00 0.00 H new ATOM 0 HA GLN A 4 -13.221 9.628 0.726 1.00 0.00 H new ATOM 0 HB2 GLN A 4 -11.233 10.457 1.842 1.00 0.00 H new ATOM 0 HB3 GLN A 4 -10.789 9.950 0.224 1.00 0.00 H new ATOM 0 HG2 GLN A 4 -10.707 12.287 -0.523 1.00 0.00 H new ATOM 0 HG3 GLN A 4 -11.254 12.835 1.049 1.00 0.00 H new ATOM 0 HE21 GLN A 4 -9.860 12.748 2.844 1.00 0.00 H new ATOM 0 HE22 GLN A 4 -8.117 12.552 2.632 1.00 0.00 H new ATOM 64 N THR A 5 -13.541 11.572 2.433 1.00 0.00 N ATOM 65 CA THR A 5 -14.030 12.538 3.317 1.00 0.00 C ATOM 66 C THR A 5 -12.968 13.621 3.392 1.00 0.00 C ATOM 67 O THR A 5 -11.771 13.317 3.289 1.00 0.00 O ATOM 68 CB THR A 5 -14.236 11.859 4.667 1.00 0.00 C ATOM 69 OG1 THR A 5 -13.133 10.946 4.877 1.00 0.00 O ATOM 70 CG2 THR A 5 -15.539 11.076 4.664 1.00 0.00 C ATOM 0 H THR A 5 -13.087 10.787 2.900 1.00 0.00 H new ATOM 0 HA THR A 5 -14.977 12.977 3.004 1.00 0.00 H new ATOM 0 HB THR A 5 -14.279 12.607 5.459 1.00 0.00 H new ATOM 0 HG1 THR A 5 -12.286 11.433 4.802 1.00 0.00 H new ATOM 0 HG21 THR A 5 -15.677 10.595 5.632 1.00 0.00 H new ATOM 0 HG22 THR A 5 -16.371 11.754 4.474 1.00 0.00 H new ATOM 0 HG23 THR A 5 -15.505 10.316 3.883 1.00 0.00 H new ATOM 78 N HIS A 6 -13.366 14.855 3.546 1.00 0.00 N ATOM 79 CA HIS A 6 -12.405 15.953 3.494 1.00 0.00 C ATOM 80 C HIS A 6 -11.628 16.071 4.794 1.00 0.00 C ATOM 81 O HIS A 6 -10.661 16.841 4.900 1.00 0.00 O ATOM 82 CB HIS A 6 -13.086 17.270 3.103 1.00 0.00 C ATOM 83 CG HIS A 6 -13.817 17.188 1.789 1.00 0.00 C ATOM 84 ND1 HIS A 6 -13.199 17.102 0.558 1.00 0.00 N ATOM 85 CD2 HIS A 6 -15.147 17.131 1.537 1.00 0.00 C ATOM 86 CE1 HIS A 6 -14.146 16.996 -0.376 1.00 0.00 C ATOM 87 NE2 HIS A 6 -15.352 17.012 0.167 1.00 0.00 N ATOM 0 H HIS A 6 -14.333 15.136 3.707 1.00 0.00 H new ATOM 0 HA HIS A 6 -11.680 15.726 2.713 1.00 0.00 H new ATOM 0 HB2 HIS A 6 -13.789 17.556 3.886 1.00 0.00 H new ATOM 0 HB3 HIS A 6 -12.335 18.058 3.046 1.00 0.00 H new ATOM 0 HD2 HIS A 6 -15.926 17.172 2.284 1.00 0.00 H new ATOM 0 HE1 HIS A 6 -13.953 16.909 -1.435 1.00 0.00 H new ATOM 0 HE2 HIS A 6 -16.247 16.950 -0.319 1.00 0.00 H new ATOM 95 N GLU A 7 -12.059 15.304 5.777 1.00 0.00 N ATOM 96 CA GLU A 7 -11.388 15.196 7.042 1.00 0.00 C ATOM 97 C GLU A 7 -10.098 14.407 6.864 1.00 0.00 C ATOM 98 O GLU A 7 -9.810 13.895 5.770 1.00 0.00 O ATOM 99 CB GLU A 7 -12.253 14.482 8.094 1.00 0.00 C ATOM 100 CG GLU A 7 -13.636 15.063 8.317 1.00 0.00 C ATOM 101 CD GLU A 7 -14.659 14.601 7.308 1.00 0.00 C ATOM 102 OE1 GLU A 7 -15.407 13.640 7.614 1.00 0.00 O ATOM 103 OE2 GLU A 7 -14.744 15.182 6.215 1.00 0.00 O ATOM 0 H GLU A 7 -12.901 14.732 5.710 1.00 0.00 H new ATOM 0 HA GLU A 7 -11.184 16.208 7.392 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -12.361 13.438 7.800 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -11.718 14.492 9.044 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -13.977 14.793 9.316 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -13.573 16.151 8.285 1.00 0.00 H new ATOM 110 N THR A 8 -9.344 14.257 7.920 1.00 0.00 N ATOM 111 CA THR A 8 -8.100 13.557 7.825 1.00 0.00 C ATOM 112 C THR A 8 -8.314 12.039 7.990 1.00 0.00 C ATOM 113 O THR A 8 -7.897 11.414 8.977 1.00 0.00 O ATOM 114 CB THR A 8 -7.088 14.120 8.830 1.00 0.00 C ATOM 115 OG1 THR A 8 -7.111 15.556 8.701 1.00 0.00 O ATOM 116 CG2 THR A 8 -5.674 13.627 8.528 1.00 0.00 C ATOM 0 H THR A 8 -9.571 14.610 8.850 1.00 0.00 H new ATOM 0 HA THR A 8 -7.682 13.711 6.830 1.00 0.00 H new ATOM 0 HB THR A 8 -7.354 13.794 9.835 1.00 0.00 H new ATOM 0 HG1 THR A 8 -6.474 15.951 9.333 1.00 0.00 H new ATOM 0 HG21 THR A 8 -4.980 14.044 9.258 1.00 0.00 H new ATOM 0 HG22 THR A 8 -5.649 12.539 8.583 1.00 0.00 H new ATOM 0 HG23 THR A 8 -5.383 13.947 7.527 1.00 0.00 H new ATOM 124 N GLU A 9 -9.035 11.489 7.043 1.00 0.00 N ATOM 125 CA GLU A 9 -9.332 10.096 6.949 1.00 0.00 C ATOM 126 C GLU A 9 -9.870 9.856 5.559 1.00 0.00 C ATOM 127 O GLU A 9 -10.319 10.801 4.890 1.00 0.00 O ATOM 128 CB GLU A 9 -10.358 9.661 8.008 1.00 0.00 C ATOM 129 CG GLU A 9 -11.749 10.255 7.838 1.00 0.00 C ATOM 130 CD GLU A 9 -12.681 9.839 8.937 1.00 0.00 C ATOM 131 OE1 GLU A 9 -12.991 10.671 9.811 1.00 0.00 O ATOM 132 OE2 GLU A 9 -13.098 8.662 8.975 1.00 0.00 O ATOM 0 H GLU A 9 -9.446 12.034 6.285 1.00 0.00 H new ATOM 0 HA GLU A 9 -8.433 9.507 7.132 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -10.439 8.574 7.989 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -9.980 9.936 8.993 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -11.678 11.342 7.817 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -12.160 9.944 6.878 1.00 0.00 H new ATOM 139 N LEU A 10 -9.800 8.645 5.108 1.00 0.00 N ATOM 140 CA LEU A 10 -10.267 8.306 3.803 1.00 0.00 C ATOM 141 C LEU A 10 -11.164 7.103 3.937 1.00 0.00 C ATOM 142 O LEU A 10 -11.387 6.625 5.053 1.00 0.00 O ATOM 143 CB LEU A 10 -9.101 7.947 2.866 1.00 0.00 C ATOM 144 CG LEU A 10 -7.784 8.712 3.031 1.00 0.00 C ATOM 145 CD1 LEU A 10 -6.961 8.136 4.173 1.00 0.00 C ATOM 146 CD2 LEU A 10 -7.002 8.678 1.760 1.00 0.00 C ATOM 0 H LEU A 10 -9.416 7.861 5.636 1.00 0.00 H new ATOM 0 HA LEU A 10 -10.794 9.161 3.379 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -8.888 6.885 2.990 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -9.442 8.086 1.840 1.00 0.00 H new ATOM 0 HG LEU A 10 -8.020 9.749 3.271 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -6.031 8.696 4.270 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -7.527 8.209 5.102 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -6.735 7.090 3.967 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -6.069 9.226 1.892 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -6.782 7.644 1.496 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -7.584 9.140 0.962 1.00 0.00 H new ATOM 158 N THR A 11 -11.665 6.610 2.836 1.00 0.00 N ATOM 159 CA THR A 11 -12.499 5.444 2.870 1.00 0.00 C ATOM 160 C THR A 11 -11.652 4.255 2.467 1.00 0.00 C ATOM 161 O THR A 11 -10.498 4.433 2.060 1.00 0.00 O ATOM 162 CB THR A 11 -13.723 5.582 1.910 1.00 0.00 C ATOM 163 OG1 THR A 11 -13.297 5.365 0.557 1.00 0.00 O ATOM 164 CG2 THR A 11 -14.290 6.996 1.968 1.00 0.00 C ATOM 0 H THR A 11 -11.509 6.999 1.906 1.00 0.00 H new ATOM 0 HA THR A 11 -12.896 5.314 3.877 1.00 0.00 H new ATOM 0 HB THR A 11 -14.473 4.854 2.217 1.00 0.00 H new ATOM 0 HG1 THR A 11 -14.065 5.450 -0.045 1.00 0.00 H new ATOM 0 HG21 THR A 11 -15.142 7.074 1.293 1.00 0.00 H new ATOM 0 HG22 THR A 11 -14.612 7.218 2.986 1.00 0.00 H new ATOM 0 HG23 THR A 11 -13.522 7.709 1.667 1.00 0.00 H new ATOM 172 N PHE A 12 -12.209 3.069 2.553 1.00 0.00 N ATOM 173 CA PHE A 12 -11.481 1.869 2.180 1.00 0.00 C ATOM 174 C PHE A 12 -11.136 1.896 0.694 1.00 0.00 C ATOM 175 O PHE A 12 -10.035 1.567 0.261 1.00 0.00 O ATOM 176 CB PHE A 12 -12.279 0.608 2.538 1.00 0.00 C ATOM 177 CG PHE A 12 -11.634 -0.667 2.086 1.00 0.00 C ATOM 178 CD1 PHE A 12 -10.413 -1.047 2.589 1.00 0.00 C ATOM 179 CD2 PHE A 12 -12.250 -1.481 1.151 1.00 0.00 C ATOM 180 CE1 PHE A 12 -9.811 -2.212 2.173 1.00 0.00 C ATOM 181 CE2 PHE A 12 -11.651 -2.649 0.735 1.00 0.00 C ATOM 182 CZ PHE A 12 -10.423 -3.013 1.252 1.00 0.00 C ATOM 0 H PHE A 12 -13.162 2.905 2.877 1.00 0.00 H new ATOM 0 HA PHE A 12 -10.550 1.843 2.746 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -12.416 0.571 3.619 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -13.271 0.679 2.093 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -9.920 -0.423 3.320 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -13.209 -1.197 0.744 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -8.850 -2.494 2.577 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -12.140 -3.279 0.006 1.00 0.00 H new ATOM 0 HZ PHE A 12 -9.949 -3.928 0.929 1.00 0.00 H new ATOM 192 N ASP A 13 -12.099 2.401 -0.029 1.00 0.00 N ATOM 193 CA ASP A 13 -11.977 2.624 -1.461 1.00 0.00 C ATOM 194 C ASP A 13 -10.921 3.664 -1.776 1.00 0.00 C ATOM 195 O ASP A 13 -10.199 3.553 -2.760 1.00 0.00 O ATOM 196 CB ASP A 13 -13.314 3.005 -2.091 1.00 0.00 C ATOM 197 CG ASP A 13 -14.311 1.875 -2.089 1.00 0.00 C ATOM 198 OD1 ASP A 13 -14.236 0.996 -2.967 1.00 0.00 O ATOM 199 OD2 ASP A 13 -15.198 1.840 -1.206 1.00 0.00 O ATOM 0 H ASP A 13 -13.003 2.675 0.355 1.00 0.00 H new ATOM 0 HA ASP A 13 -11.659 1.679 -1.901 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -13.734 3.854 -1.552 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -13.146 3.331 -3.117 1.00 0.00 H new ATOM 204 N GLN A 14 -10.812 4.650 -0.917 1.00 0.00 N ATOM 205 CA GLN A 14 -9.863 5.731 -1.105 1.00 0.00 C ATOM 206 C GLN A 14 -8.472 5.277 -0.758 1.00 0.00 C ATOM 207 O GLN A 14 -7.501 5.658 -1.399 1.00 0.00 O ATOM 208 CB GLN A 14 -10.252 6.952 -0.309 1.00 0.00 C ATOM 209 CG GLN A 14 -11.604 7.511 -0.712 1.00 0.00 C ATOM 210 CD GLN A 14 -11.686 7.928 -2.168 1.00 0.00 C ATOM 211 OE1 GLN A 14 -12.739 7.866 -2.779 1.00 0.00 O ATOM 212 NE2 GLN A 14 -10.611 8.395 -2.707 1.00 0.00 N ATOM 0 H GLN A 14 -11.375 4.729 -0.070 1.00 0.00 H new ATOM 0 HA GLN A 14 -9.878 6.013 -2.158 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -10.270 6.698 0.751 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -9.492 7.722 -0.439 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -12.370 6.761 -0.515 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -11.832 8.372 -0.084 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -9.746 8.433 -2.168 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -10.626 8.726 -3.672 1.00 0.00 H new ATOM 221 N VAL A 15 -8.383 4.473 0.276 1.00 0.00 N ATOM 222 CA VAL A 15 -7.121 4.002 0.755 1.00 0.00 C ATOM 223 C VAL A 15 -6.589 3.021 -0.237 1.00 0.00 C ATOM 224 O VAL A 15 -5.388 2.985 -0.523 1.00 0.00 O ATOM 225 CB VAL A 15 -7.179 3.410 2.185 1.00 0.00 C ATOM 226 CG1 VAL A 15 -5.888 2.693 2.467 1.00 0.00 C ATOM 227 CG2 VAL A 15 -7.315 4.522 3.205 1.00 0.00 C ATOM 0 H VAL A 15 -9.187 4.132 0.803 1.00 0.00 H new ATOM 0 HA VAL A 15 -6.445 4.852 0.846 1.00 0.00 H new ATOM 0 HB VAL A 15 -8.032 2.734 2.251 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -5.918 2.272 3.472 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -5.751 1.891 1.741 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -5.058 3.395 2.392 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -7.355 4.094 4.207 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -6.458 5.191 3.130 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -8.230 5.082 3.013 1.00 0.00 H new ATOM 237 N LYS A 16 -7.468 2.240 -0.786 1.00 0.00 N ATOM 238 CA LYS A 16 -7.112 1.380 -1.844 1.00 0.00 C ATOM 239 C LYS A 16 -6.524 2.173 -2.979 1.00 0.00 C ATOM 240 O LYS A 16 -5.487 1.818 -3.486 1.00 0.00 O ATOM 241 CB LYS A 16 -8.291 0.542 -2.309 1.00 0.00 C ATOM 242 CG LYS A 16 -8.583 -0.675 -1.434 1.00 0.00 C ATOM 243 CD LYS A 16 -9.473 -1.701 -2.136 1.00 0.00 C ATOM 244 CE LYS A 16 -10.835 -1.149 -2.503 1.00 0.00 C ATOM 245 NZ LYS A 16 -11.638 -2.135 -3.259 1.00 0.00 N ATOM 0 H LYS A 16 -8.447 2.189 -0.506 1.00 0.00 H new ATOM 0 HA LYS A 16 -6.356 0.686 -1.477 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -9.179 1.173 -2.341 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -8.102 0.205 -3.328 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -7.643 -1.148 -1.150 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -9.067 -0.349 -0.513 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -8.973 -2.050 -3.039 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -9.601 -2.568 -1.487 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -11.368 -0.863 -1.596 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -10.713 -0.245 -3.099 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -12.564 -1.723 -3.493 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -11.140 -2.389 -4.136 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -11.776 -2.988 -2.680 1.00 0.00 H new ATOM 259 N GLU A 17 -7.137 3.283 -3.316 1.00 0.00 N ATOM 260 CA GLU A 17 -6.590 4.143 -4.336 1.00 0.00 C ATOM 261 C GLU A 17 -5.216 4.706 -3.980 1.00 0.00 C ATOM 262 O GLU A 17 -4.394 4.883 -4.877 1.00 0.00 O ATOM 263 CB GLU A 17 -7.519 5.276 -4.742 1.00 0.00 C ATOM 264 CG GLU A 17 -8.726 4.849 -5.540 1.00 0.00 C ATOM 265 CD GLU A 17 -9.412 6.029 -6.185 1.00 0.00 C ATOM 266 OE1 GLU A 17 -10.396 6.545 -5.639 1.00 0.00 O ATOM 267 OE2 GLU A 17 -8.964 6.463 -7.274 1.00 0.00 O ATOM 0 H GLU A 17 -8.010 3.610 -2.901 1.00 0.00 H new ATOM 0 HA GLU A 17 -6.474 3.483 -5.195 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -7.859 5.789 -3.842 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -6.952 6.000 -5.327 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -8.422 4.139 -6.309 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -9.429 4.330 -4.888 1.00 0.00 H new ATOM 274 N GLN A 18 -4.932 4.934 -2.675 1.00 0.00 N ATOM 275 CA GLN A 18 -3.679 5.559 -2.296 1.00 0.00 C ATOM 276 C GLN A 18 -2.569 4.604 -2.538 1.00 0.00 C ATOM 277 O GLN A 18 -1.548 4.917 -3.164 1.00 0.00 O ATOM 278 CB GLN A 18 -3.697 6.153 -0.870 1.00 0.00 C ATOM 279 CG GLN A 18 -3.583 5.195 0.278 1.00 0.00 C ATOM 280 CD GLN A 18 -3.473 5.890 1.618 1.00 0.00 C ATOM 281 OE1 GLN A 18 -2.883 5.365 2.536 1.00 0.00 O ATOM 282 NE2 GLN A 18 -4.004 7.082 1.729 1.00 0.00 N ATOM 0 H GLN A 18 -5.548 4.695 -1.898 1.00 0.00 H new ATOM 0 HA GLN A 18 -3.518 6.433 -2.928 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -2.879 6.870 -0.793 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -4.624 6.713 -0.750 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -4.454 4.539 0.285 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -2.708 4.562 0.130 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -4.495 7.497 0.937 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -3.927 7.595 2.607 1.00 0.00 H new ATOM 291 N LEU A 19 -2.793 3.436 -2.058 1.00 0.00 N ATOM 292 CA LEU A 19 -1.885 2.372 -2.134 1.00 0.00 C ATOM 293 C LEU A 19 -1.679 1.938 -3.558 1.00 0.00 C ATOM 294 O LEU A 19 -0.552 1.700 -3.979 1.00 0.00 O ATOM 295 CB LEU A 19 -2.410 1.272 -1.292 1.00 0.00 C ATOM 296 CG LEU A 19 -2.280 1.447 0.224 1.00 0.00 C ATOM 297 CD1 LEU A 19 -2.944 0.310 0.933 1.00 0.00 C ATOM 298 CD2 LEU A 19 -0.815 1.553 0.644 1.00 0.00 C ATOM 0 H LEU A 19 -3.660 3.193 -1.579 1.00 0.00 H new ATOM 0 HA LEU A 19 -0.906 2.679 -1.766 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -3.465 1.135 -1.530 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -1.897 0.352 -1.574 1.00 0.00 H new ATOM 0 HG LEU A 19 -2.777 2.377 0.502 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -2.845 0.445 2.010 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -4.000 0.282 0.666 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -2.471 -0.627 0.640 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -0.755 1.677 1.725 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -0.286 0.646 0.352 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -0.357 2.413 0.154 1.00 0.00 H new ATOM 310 N THR A 20 -2.762 1.918 -4.301 1.00 0.00 N ATOM 311 CA THR A 20 -2.719 1.583 -5.695 1.00 0.00 C ATOM 312 C THR A 20 -1.818 2.545 -6.432 1.00 0.00 C ATOM 313 O THR A 20 -0.858 2.129 -7.050 1.00 0.00 O ATOM 314 CB THR A 20 -4.147 1.608 -6.293 1.00 0.00 C ATOM 315 OG1 THR A 20 -4.900 0.492 -5.803 1.00 0.00 O ATOM 316 CG2 THR A 20 -4.150 1.640 -7.819 1.00 0.00 C ATOM 0 H THR A 20 -3.695 2.135 -3.950 1.00 0.00 H new ATOM 0 HA THR A 20 -2.315 0.577 -5.806 1.00 0.00 H new ATOM 0 HB THR A 20 -4.620 2.535 -5.968 1.00 0.00 H new ATOM 0 HG1 THR A 20 -4.528 0.198 -4.945 1.00 0.00 H new ATOM 0 HG21 THR A 20 -5.178 1.657 -8.181 1.00 0.00 H new ATOM 0 HG22 THR A 20 -3.629 2.533 -8.165 1.00 0.00 H new ATOM 0 HG23 THR A 20 -3.645 0.754 -8.203 1.00 0.00 H new ATOM 324 N GLU A 21 -2.057 3.814 -6.239 1.00 0.00 N ATOM 325 CA GLU A 21 -1.358 4.867 -6.947 1.00 0.00 C ATOM 326 C GLU A 21 0.142 4.820 -6.620 1.00 0.00 C ATOM 327 O GLU A 21 1.003 4.888 -7.491 1.00 0.00 O ATOM 328 CB GLU A 21 -1.994 6.179 -6.505 1.00 0.00 C ATOM 329 CG GLU A 21 -1.490 7.428 -7.184 1.00 0.00 C ATOM 330 CD GLU A 21 -1.738 7.411 -8.656 1.00 0.00 C ATOM 331 OE1 GLU A 21 -2.912 7.518 -9.072 1.00 0.00 O ATOM 332 OE2 GLU A 21 -0.778 7.319 -9.421 1.00 0.00 O ATOM 0 H GLU A 21 -2.753 4.157 -5.576 1.00 0.00 H new ATOM 0 HA GLU A 21 -1.442 4.754 -8.028 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -3.069 6.110 -6.669 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -1.842 6.288 -5.431 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -1.977 8.299 -6.746 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -0.421 7.534 -6.999 1.00 0.00 H new ATOM 339 N SER A 22 0.408 4.650 -5.362 1.00 0.00 N ATOM 340 CA SER A 22 1.764 4.612 -4.844 1.00 0.00 C ATOM 341 C SER A 22 2.523 3.383 -5.362 1.00 0.00 C ATOM 342 O SER A 22 3.657 3.495 -5.854 1.00 0.00 O ATOM 343 CB SER A 22 1.731 4.634 -3.318 1.00 0.00 C ATOM 344 OG SER A 22 0.996 5.768 -2.864 1.00 0.00 O ATOM 0 H SER A 22 -0.310 4.531 -4.648 1.00 0.00 H new ATOM 0 HA SER A 22 2.298 5.494 -5.198 1.00 0.00 H new ATOM 0 HB2 SER A 22 1.273 3.719 -2.942 1.00 0.00 H new ATOM 0 HB3 SER A 22 2.747 4.667 -2.924 1.00 0.00 H new ATOM 0 HG SER A 22 0.073 5.503 -2.668 1.00 0.00 H new ATOM 350 N GLY A 23 1.879 2.223 -5.304 1.00 0.00 N ATOM 351 CA GLY A 23 2.476 0.990 -5.768 1.00 0.00 C ATOM 352 C GLY A 23 2.753 1.021 -7.245 1.00 0.00 C ATOM 353 O GLY A 23 3.717 0.451 -7.708 1.00 0.00 O ATOM 0 H GLY A 23 0.934 2.117 -4.935 1.00 0.00 H new ATOM 0 HA2 GLY A 23 3.406 0.812 -5.228 1.00 0.00 H new ATOM 0 HA3 GLY A 23 1.811 0.157 -5.541 1.00 0.00 H new ATOM 357 N LYS A 24 1.902 1.720 -7.955 1.00 0.00 N ATOM 358 CA LYS A 24 2.037 1.875 -9.391 1.00 0.00 C ATOM 359 C LYS A 24 3.284 2.629 -9.783 1.00 0.00 C ATOM 360 O LYS A 24 3.936 2.282 -10.765 1.00 0.00 O ATOM 361 CB LYS A 24 0.803 2.518 -9.947 1.00 0.00 C ATOM 362 CG LYS A 24 -0.398 1.599 -9.868 1.00 0.00 C ATOM 363 CD LYS A 24 -0.403 0.541 -10.968 1.00 0.00 C ATOM 364 CE LYS A 24 -0.694 1.156 -12.322 1.00 0.00 C ATOM 365 NZ LYS A 24 -0.610 0.190 -13.446 1.00 0.00 N ATOM 0 H LYS A 24 1.094 2.200 -7.558 1.00 0.00 H new ATOM 0 HA LYS A 24 2.146 0.881 -9.825 1.00 0.00 H new ATOM 0 HB2 LYS A 24 0.594 3.436 -9.399 1.00 0.00 H new ATOM 0 HB3 LYS A 24 0.977 2.799 -10.986 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -0.410 1.106 -8.896 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -1.310 2.193 -9.936 1.00 0.00 H new ATOM 0 HD2 LYS A 24 0.563 0.037 -10.995 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -1.152 -0.218 -10.742 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -1.692 1.595 -12.305 1.00 0.00 H new ATOM 0 HE3 LYS A 24 0.009 1.970 -12.500 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 0.277 0.340 -13.967 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -0.632 -0.780 -13.072 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -1.417 0.332 -14.087 1.00 0.00 H new ATOM 379 N LYS A 25 3.655 3.603 -8.976 1.00 0.00 N ATOM 380 CA LYS A 25 4.813 4.437 -9.228 1.00 0.00 C ATOM 381 C LYS A 25 6.073 3.716 -8.871 1.00 0.00 C ATOM 382 O LYS A 25 7.085 3.781 -9.573 1.00 0.00 O ATOM 383 CB LYS A 25 4.695 5.710 -8.423 1.00 0.00 C ATOM 384 CG LYS A 25 3.473 6.489 -8.777 1.00 0.00 C ATOM 385 CD LYS A 25 3.318 7.719 -7.936 1.00 0.00 C ATOM 386 CE LYS A 25 2.018 8.369 -8.282 1.00 0.00 C ATOM 387 NZ LYS A 25 1.788 9.625 -7.553 1.00 0.00 N ATOM 0 H LYS A 25 3.156 3.840 -8.118 1.00 0.00 H new ATOM 0 HA LYS A 25 4.852 4.679 -10.290 1.00 0.00 H new ATOM 0 HB2 LYS A 25 4.673 5.466 -7.361 1.00 0.00 H new ATOM 0 HB3 LYS A 25 5.578 6.327 -8.590 1.00 0.00 H new ATOM 0 HG2 LYS A 25 3.519 6.774 -9.828 1.00 0.00 H new ATOM 0 HG3 LYS A 25 2.594 5.856 -8.656 1.00 0.00 H new ATOM 0 HD2 LYS A 25 3.342 7.460 -6.878 1.00 0.00 H new ATOM 0 HD3 LYS A 25 4.145 8.407 -8.115 1.00 0.00 H new ATOM 0 HE2 LYS A 25 1.992 8.568 -9.353 1.00 0.00 H new ATOM 0 HE3 LYS A 25 1.204 7.677 -8.067 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 0.872 10.028 -7.835 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 1.783 9.437 -6.530 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 2.547 10.300 -7.777 1.00 0.00 H new ATOM 401 N ARG A 26 6.011 3.040 -7.758 1.00 0.00 N ATOM 402 CA ARG A 26 7.176 2.347 -7.235 1.00 0.00 C ATOM 403 C ARG A 26 7.429 1.081 -8.021 1.00 0.00 C ATOM 404 O ARG A 26 8.536 0.796 -8.464 1.00 0.00 O ATOM 405 CB ARG A 26 6.986 1.936 -5.783 1.00 0.00 C ATOM 406 CG ARG A 26 6.645 3.024 -4.794 1.00 0.00 C ATOM 407 CD ARG A 26 6.504 2.386 -3.439 1.00 0.00 C ATOM 408 NE ARG A 26 5.942 3.248 -2.409 1.00 0.00 N ATOM 409 CZ ARG A 26 5.509 2.769 -1.240 1.00 0.00 C ATOM 410 NH1 ARG A 26 5.774 1.507 -0.914 1.00 0.00 N ATOM 411 NH2 ARG A 26 4.867 3.539 -0.380 1.00 0.00 N ATOM 0 H ARG A 26 5.170 2.948 -7.188 1.00 0.00 H new ATOM 0 HA ARG A 26 8.012 3.042 -7.317 1.00 0.00 H new ATOM 0 HB2 ARG A 26 6.196 1.186 -5.745 1.00 0.00 H new ATOM 0 HB3 ARG A 26 7.902 1.450 -5.447 1.00 0.00 H new ATOM 0 HG2 ARG A 26 7.426 3.785 -4.779 1.00 0.00 H new ATOM 0 HG3 ARG A 26 5.719 3.523 -5.079 1.00 0.00 H new ATOM 0 HD2 ARG A 26 5.875 1.501 -3.534 1.00 0.00 H new ATOM 0 HD3 ARG A 26 7.486 2.045 -3.111 1.00 0.00 H new ATOM 0 HE ARG A 26 5.877 4.250 -2.586 1.00 0.00 H new ATOM 0 HH11 ARG A 26 6.303 0.915 -1.554 1.00 0.00 H new ATOM 0 HH12 ARG A 26 5.448 1.131 -0.024 1.00 0.00 H new ATOM 0 HH21 ARG A 26 4.694 4.519 -0.604 1.00 0.00 H new ATOM 0 HH22 ARG A 26 4.544 3.154 0.508 1.00 0.00 H new ATOM 425 N GLY A 27 6.345 0.343 -8.186 1.00 0.00 N ATOM 426 CA GLY A 27 6.349 -0.954 -8.784 1.00 0.00 C ATOM 427 C GLY A 27 6.233 -1.987 -7.705 1.00 0.00 C ATOM 428 O GLY A 27 6.244 -3.197 -7.967 1.00 0.00 O ATOM 0 H GLY A 27 5.417 0.651 -7.895 1.00 0.00 H new ATOM 0 HA2 GLY A 27 5.521 -1.048 -9.486 1.00 0.00 H new ATOM 0 HA3 GLY A 27 7.267 -1.104 -9.352 1.00 0.00 H new ATOM 432 N VAL A 28 6.058 -1.511 -6.480 1.00 0.00 N ATOM 433 CA VAL A 28 6.091 -2.365 -5.339 1.00 0.00 C ATOM 434 C VAL A 28 5.445 -1.686 -4.128 1.00 0.00 C ATOM 435 O VAL A 28 5.322 -0.459 -4.088 1.00 0.00 O ATOM 436 CB VAL A 28 7.559 -2.714 -5.034 1.00 0.00 C ATOM 437 CG1 VAL A 28 8.354 -1.535 -4.497 1.00 0.00 C ATOM 438 CG2 VAL A 28 7.671 -3.900 -4.170 1.00 0.00 C ATOM 0 H VAL A 28 5.892 -0.527 -6.268 1.00 0.00 H new ATOM 0 HA VAL A 28 5.525 -3.273 -5.549 1.00 0.00 H new ATOM 0 HB VAL A 28 8.016 -2.967 -5.991 1.00 0.00 H new ATOM 0 HG11 VAL A 28 9.380 -1.847 -4.302 1.00 0.00 H new ATOM 0 HG12 VAL A 28 8.353 -0.730 -5.232 1.00 0.00 H new ATOM 0 HG13 VAL A 28 7.900 -1.182 -3.571 1.00 0.00 H new ATOM 0 HG21 VAL A 28 8.723 -4.113 -3.979 1.00 0.00 H new ATOM 0 HG22 VAL A 28 7.161 -3.711 -3.225 1.00 0.00 H new ATOM 0 HG23 VAL A 28 7.212 -4.756 -4.665 1.00 0.00 H new ATOM 448 N LEU A 29 4.998 -2.497 -3.196 1.00 0.00 N ATOM 449 CA LEU A 29 4.430 -2.056 -1.938 1.00 0.00 C ATOM 450 C LEU A 29 4.739 -3.079 -0.860 1.00 0.00 C ATOM 451 O LEU A 29 4.695 -4.262 -1.130 1.00 0.00 O ATOM 452 CB LEU A 29 2.914 -1.934 -2.036 1.00 0.00 C ATOM 453 CG LEU A 29 2.327 -0.722 -2.733 1.00 0.00 C ATOM 454 CD1 LEU A 29 0.827 -0.870 -2.829 1.00 0.00 C ATOM 455 CD2 LEU A 29 2.661 0.541 -1.972 1.00 0.00 C ATOM 0 H LEU A 29 5.019 -3.512 -3.293 1.00 0.00 H new ATOM 0 HA LEU A 29 4.862 -1.084 -1.698 1.00 0.00 H new ATOM 0 HB2 LEU A 29 2.543 -2.822 -2.548 1.00 0.00 H new ATOM 0 HB3 LEU A 29 2.514 -1.959 -1.022 1.00 0.00 H new ATOM 0 HG LEU A 29 2.755 -0.653 -3.733 1.00 0.00 H new ATOM 0 HD11 LEU A 29 0.407 0.002 -3.330 1.00 0.00 H new ATOM 0 HD12 LEU A 29 0.586 -1.767 -3.399 1.00 0.00 H new ATOM 0 HD13 LEU A 29 0.405 -0.951 -1.827 1.00 0.00 H new ATOM 0 HD21 LEU A 29 2.232 1.400 -2.487 1.00 0.00 H new ATOM 0 HD22 LEU A 29 2.249 0.479 -0.965 1.00 0.00 H new ATOM 0 HD23 LEU A 29 3.743 0.656 -1.915 1.00 0.00 H new ATOM 467 N THR A 30 5.071 -2.639 0.335 1.00 0.00 N ATOM 468 CA THR A 30 5.282 -3.557 1.440 1.00 0.00 C ATOM 469 C THR A 30 3.953 -4.080 1.982 1.00 0.00 C ATOM 470 O THR A 30 2.982 -3.327 2.115 1.00 0.00 O ATOM 471 CB THR A 30 6.067 -2.937 2.622 1.00 0.00 C ATOM 472 OG1 THR A 30 5.411 -1.795 3.131 1.00 0.00 O ATOM 473 CG2 THR A 30 7.471 -2.578 2.256 1.00 0.00 C ATOM 0 H THR A 30 5.201 -1.655 0.568 1.00 0.00 H new ATOM 0 HA THR A 30 5.879 -4.367 1.021 1.00 0.00 H new ATOM 0 HB THR A 30 6.105 -3.708 3.392 1.00 0.00 H new ATOM 0 HG1 THR A 30 5.391 -1.096 2.444 1.00 0.00 H new ATOM 0 HG21 THR A 30 7.974 -2.148 3.122 1.00 0.00 H new ATOM 0 HG22 THR A 30 8.003 -3.473 1.935 1.00 0.00 H new ATOM 0 HG23 THR A 30 7.461 -1.851 1.444 1.00 0.00 H new ATOM 481 N TYR A 31 3.937 -5.360 2.315 1.00 0.00 N ATOM 482 CA TYR A 31 2.778 -6.042 2.891 1.00 0.00 C ATOM 483 C TYR A 31 2.193 -5.302 4.094 1.00 0.00 C ATOM 484 O TYR A 31 0.974 -5.235 4.261 1.00 0.00 O ATOM 485 CB TYR A 31 3.141 -7.474 3.343 1.00 0.00 C ATOM 486 CG TYR A 31 3.397 -8.486 2.239 1.00 0.00 C ATOM 487 CD1 TYR A 31 4.627 -9.141 2.118 1.00 0.00 C ATOM 488 CD2 TYR A 31 2.399 -8.810 1.334 1.00 0.00 C ATOM 489 CE1 TYR A 31 4.835 -10.075 1.132 1.00 0.00 C ATOM 490 CE2 TYR A 31 2.611 -9.745 0.344 1.00 0.00 C ATOM 491 CZ TYR A 31 3.830 -10.374 0.250 1.00 0.00 C ATOM 492 OH TYR A 31 4.046 -11.319 -0.733 1.00 0.00 O ATOM 0 H TYR A 31 4.744 -5.972 2.192 1.00 0.00 H new ATOM 0 HA TYR A 31 2.032 -6.069 2.097 1.00 0.00 H new ATOM 0 HB2 TYR A 31 4.031 -7.419 3.969 1.00 0.00 H new ATOM 0 HB3 TYR A 31 2.333 -7.850 3.970 1.00 0.00 H new ATOM 0 HD1 TYR A 31 5.424 -8.909 2.809 1.00 0.00 H new ATOM 0 HD2 TYR A 31 1.439 -8.321 1.406 1.00 0.00 H new ATOM 0 HE1 TYR A 31 5.790 -10.573 1.052 1.00 0.00 H new ATOM 0 HE2 TYR A 31 1.823 -9.983 -0.355 1.00 0.00 H new ATOM 0 HH TYR A 31 3.236 -11.417 -1.276 1.00 0.00 H new ATOM 502 N GLU A 32 3.050 -4.722 4.919 1.00 0.00 N ATOM 503 CA GLU A 32 2.569 -4.128 6.135 1.00 0.00 C ATOM 504 C GLU A 32 2.105 -2.679 5.959 1.00 0.00 C ATOM 505 O GLU A 32 1.245 -2.231 6.699 1.00 0.00 O ATOM 506 CB GLU A 32 3.566 -4.273 7.291 1.00 0.00 C ATOM 507 CG GLU A 32 2.955 -3.933 8.649 1.00 0.00 C ATOM 508 CD GLU A 32 3.891 -4.117 9.802 1.00 0.00 C ATOM 509 OE1 GLU A 32 4.523 -3.140 10.234 1.00 0.00 O ATOM 510 OE2 GLU A 32 3.994 -5.247 10.327 1.00 0.00 O ATOM 0 H GLU A 32 4.056 -4.655 4.767 1.00 0.00 H new ATOM 0 HA GLU A 32 1.680 -4.698 6.406 1.00 0.00 H new ATOM 0 HB2 GLU A 32 3.942 -5.296 7.313 1.00 0.00 H new ATOM 0 HB3 GLU A 32 4.422 -3.622 7.110 1.00 0.00 H new ATOM 0 HG2 GLU A 32 2.614 -2.898 8.633 1.00 0.00 H new ATOM 0 HG3 GLU A 32 2.075 -4.556 8.806 1.00 0.00 H new ATOM 517 N GLU A 33 2.609 -1.944 4.958 1.00 0.00 N ATOM 518 CA GLU A 33 2.152 -0.557 4.821 1.00 0.00 C ATOM 519 C GLU A 33 0.743 -0.584 4.274 1.00 0.00 C ATOM 520 O GLU A 33 -0.105 0.245 4.631 1.00 0.00 O ATOM 521 CB GLU A 33 3.085 0.296 3.943 1.00 0.00 C ATOM 522 CG GLU A 33 3.012 0.015 2.456 1.00 0.00 C ATOM 523 CD GLU A 33 4.103 0.704 1.699 1.00 0.00 C ATOM 524 OE1 GLU A 33 4.982 0.001 1.150 1.00 0.00 O ATOM 525 OE2 GLU A 33 4.130 1.948 1.656 1.00 0.00 O ATOM 0 H GLU A 33 3.292 -2.262 4.270 1.00 0.00 H new ATOM 0 HA GLU A 33 2.169 -0.079 5.801 1.00 0.00 H new ATOM 0 HB2 GLU A 33 2.852 1.348 4.109 1.00 0.00 H new ATOM 0 HB3 GLU A 33 4.111 0.141 4.275 1.00 0.00 H new ATOM 0 HG2 GLU A 33 3.077 -1.060 2.287 1.00 0.00 H new ATOM 0 HG3 GLU A 33 2.045 0.340 2.073 1.00 0.00 H new ATOM 532 N ILE A 34 0.489 -1.610 3.458 1.00 0.00 N ATOM 533 CA ILE A 34 -0.808 -1.869 2.903 1.00 0.00 C ATOM 534 C ILE A 34 -1.773 -2.162 4.032 1.00 0.00 C ATOM 535 O ILE A 34 -2.855 -1.577 4.110 1.00 0.00 O ATOM 536 CB ILE A 34 -0.762 -3.057 1.914 1.00 0.00 C ATOM 537 CG1 ILE A 34 0.180 -2.730 0.758 1.00 0.00 C ATOM 538 CG2 ILE A 34 -2.153 -3.383 1.394 1.00 0.00 C ATOM 539 CD1 ILE A 34 0.392 -3.872 -0.202 1.00 0.00 C ATOM 0 H ILE A 34 1.199 -2.283 3.171 1.00 0.00 H new ATOM 0 HA ILE A 34 -1.141 -0.991 2.349 1.00 0.00 H new ATOM 0 HB ILE A 34 -0.387 -3.935 2.440 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -0.218 -1.877 0.209 1.00 0.00 H new ATOM 0 HG13 ILE A 34 1.145 -2.426 1.164 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -2.095 -4.222 0.700 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -2.801 -3.647 2.230 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -2.562 -2.514 0.879 1.00 0.00 H new ATOM 0 HD11 ILE A 34 1.073 -3.560 -0.994 1.00 0.00 H new ATOM 0 HD12 ILE A 34 0.820 -4.721 0.331 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -0.564 -4.162 -0.639 1.00 0.00 H new ATOM 551 N ALA A 35 -1.317 -2.987 4.981 1.00 0.00 N ATOM 552 CA ALA A 35 -2.081 -3.399 6.125 1.00 0.00 C ATOM 553 C ALA A 35 -2.339 -2.230 7.044 1.00 0.00 C ATOM 554 O ALA A 35 -3.435 -2.062 7.562 1.00 0.00 O ATOM 555 CB ALA A 35 -1.369 -4.514 6.871 1.00 0.00 C ATOM 0 H ALA A 35 -0.379 -3.388 4.958 1.00 0.00 H new ATOM 0 HA ALA A 35 -3.041 -3.778 5.774 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -1.964 -4.812 7.734 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -1.238 -5.369 6.208 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -0.394 -4.162 7.207 1.00 0.00 H new ATOM 561 N GLU A 36 -1.310 -1.404 7.216 1.00 0.00 N ATOM 562 CA GLU A 36 -1.331 -0.299 8.146 1.00 0.00 C ATOM 563 C GLU A 36 -2.428 0.682 7.834 1.00 0.00 C ATOM 564 O GLU A 36 -3.198 1.070 8.722 1.00 0.00 O ATOM 565 CB GLU A 36 -0.013 0.452 8.171 1.00 0.00 C ATOM 566 CG GLU A 36 0.012 1.507 9.255 1.00 0.00 C ATOM 567 CD GLU A 36 1.065 2.531 9.061 1.00 0.00 C ATOM 568 OE1 GLU A 36 0.756 3.605 8.525 1.00 0.00 O ATOM 569 OE2 GLU A 36 2.215 2.306 9.451 1.00 0.00 O ATOM 0 H GLU A 36 -0.432 -1.492 6.704 1.00 0.00 H new ATOM 0 HA GLU A 36 -1.511 -0.746 9.123 1.00 0.00 H new ATOM 0 HB2 GLU A 36 0.804 -0.252 8.330 1.00 0.00 H new ATOM 0 HB3 GLU A 36 0.156 0.922 7.202 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -0.960 2.000 9.294 1.00 0.00 H new ATOM 0 HG3 GLU A 36 0.162 1.022 10.219 1.00 0.00 H new ATOM 576 N ARG A 37 -2.544 1.075 6.563 1.00 0.00 N ATOM 577 CA ARG A 37 -3.553 2.028 6.153 1.00 0.00 C ATOM 578 C ARG A 37 -4.930 1.397 6.334 1.00 0.00 C ATOM 579 O ARG A 37 -5.897 2.065 6.710 1.00 0.00 O ATOM 580 CB ARG A 37 -3.396 2.366 4.671 1.00 0.00 C ATOM 581 CG ARG A 37 -1.998 2.719 4.169 1.00 0.00 C ATOM 582 CD ARG A 37 -1.393 3.955 4.812 1.00 0.00 C ATOM 583 NE ARG A 37 -0.131 4.308 4.123 1.00 0.00 N ATOM 584 CZ ARG A 37 1.129 4.167 4.598 1.00 0.00 C ATOM 585 NH1 ARG A 37 1.354 3.829 5.864 1.00 0.00 N ATOM 586 NH2 ARG A 37 2.167 4.408 3.792 1.00 0.00 N ATOM 0 H ARG A 37 -1.946 0.742 5.807 1.00 0.00 H new ATOM 0 HA ARG A 37 -3.444 2.930 6.755 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -3.755 1.515 4.093 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -4.055 3.205 4.446 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -1.337 1.871 4.347 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -2.040 2.869 3.090 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -2.095 4.787 4.755 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -1.202 3.771 5.869 1.00 0.00 H new ATOM 0 HE ARG A 37 -0.221 4.701 3.186 1.00 0.00 H new ATOM 0 HH11 ARG A 37 0.570 3.671 6.497 1.00 0.00 H new ATOM 0 HH12 ARG A 37 2.311 3.728 6.203 1.00 0.00 H new ATOM 0 HH21 ARG A 37 2.007 4.696 2.827 1.00 0.00 H new ATOM 0 HH22 ARG A 37 3.119 4.304 4.142 1.00 0.00 H new ATOM 600 N MET A 38 -4.989 0.089 6.145 1.00 0.00 N ATOM 601 CA MET A 38 -6.238 -0.642 6.248 1.00 0.00 C ATOM 602 C MET A 38 -6.573 -0.967 7.684 1.00 0.00 C ATOM 603 O MET A 38 -7.650 -1.462 7.970 1.00 0.00 O ATOM 604 CB MET A 38 -6.213 -1.925 5.438 1.00 0.00 C ATOM 605 CG MET A 38 -5.937 -1.723 3.978 1.00 0.00 C ATOM 606 SD MET A 38 -7.102 -0.617 3.194 1.00 0.00 S ATOM 607 CE MET A 38 -6.550 -0.748 1.505 1.00 0.00 C ATOM 0 H MET A 38 -4.180 -0.490 5.918 1.00 0.00 H new ATOM 0 HA MET A 38 -7.009 0.013 5.841 1.00 0.00 H new ATOM 0 HB2 MET A 38 -5.453 -2.588 5.852 1.00 0.00 H new ATOM 0 HB3 MET A 38 -7.172 -2.431 5.549 1.00 0.00 H new ATOM 0 HG2 MET A 38 -4.929 -1.326 3.856 1.00 0.00 H new ATOM 0 HG3 MET A 38 -5.963 -2.688 3.472 1.00 0.00 H new ATOM 0 HE1 MET A 38 -6.782 0.175 0.974 1.00 0.00 H new ATOM 0 HE2 MET A 38 -5.473 -0.916 1.486 1.00 0.00 H new ATOM 0 HE3 MET A 38 -7.056 -1.583 1.020 1.00 0.00 H new ATOM 617 N SER A 39 -5.666 -0.649 8.594 1.00 0.00 N ATOM 618 CA SER A 39 -5.894 -0.883 10.000 1.00 0.00 C ATOM 619 C SER A 39 -6.807 0.206 10.571 1.00 0.00 C ATOM 620 O SER A 39 -7.206 0.160 11.731 1.00 0.00 O ATOM 621 CB SER A 39 -4.572 -0.961 10.757 1.00 0.00 C ATOM 622 OG SER A 39 -3.739 -1.990 10.216 1.00 0.00 O ATOM 0 H SER A 39 -4.763 -0.227 8.377 1.00 0.00 H new ATOM 0 HA SER A 39 -6.395 -1.843 10.123 1.00 0.00 H new ATOM 0 HB2 SER A 39 -4.057 -0.002 10.699 1.00 0.00 H new ATOM 0 HB3 SER A 39 -4.763 -1.158 11.812 1.00 0.00 H new ATOM 0 HG SER A 39 -3.438 -1.730 9.320 1.00 0.00 H new ATOM 628 N SER A 40 -7.117 1.193 9.740 1.00 0.00 N ATOM 629 CA SER A 40 -8.097 2.199 10.077 1.00 0.00 C ATOM 630 C SER A 40 -9.475 1.529 9.987 1.00 0.00 C ATOM 631 O SER A 40 -10.415 1.858 10.708 1.00 0.00 O ATOM 632 CB SER A 40 -8.000 3.330 9.057 1.00 0.00 C ATOM 633 OG SER A 40 -6.636 3.689 8.840 1.00 0.00 O ATOM 0 H SER A 40 -6.694 1.312 8.819 1.00 0.00 H new ATOM 0 HA SER A 40 -7.935 2.606 11.075 1.00 0.00 H new ATOM 0 HB2 SER A 40 -8.455 3.020 8.116 1.00 0.00 H new ATOM 0 HB3 SER A 40 -8.559 4.196 9.411 1.00 0.00 H new ATOM 0 HG SER A 40 -6.278 3.174 8.087 1.00 0.00 H new ATOM 639 N PHE A 41 -9.544 0.558 9.092 1.00 0.00 N ATOM 640 CA PHE A 41 -10.721 -0.235 8.850 1.00 0.00 C ATOM 641 C PHE A 41 -10.505 -1.595 9.506 1.00 0.00 C ATOM 642 O PHE A 41 -9.574 -1.765 10.302 1.00 0.00 O ATOM 643 CB PHE A 41 -10.898 -0.400 7.333 1.00 0.00 C ATOM 644 CG PHE A 41 -10.719 0.886 6.606 1.00 0.00 C ATOM 645 CD1 PHE A 41 -9.612 1.072 5.809 1.00 0.00 C ATOM 646 CD2 PHE A 41 -11.614 1.929 6.765 1.00 0.00 C ATOM 647 CE1 PHE A 41 -9.390 2.262 5.184 1.00 0.00 C ATOM 648 CE2 PHE A 41 -11.401 3.129 6.129 1.00 0.00 C ATOM 649 CZ PHE A 41 -10.282 3.294 5.341 1.00 0.00 C ATOM 0 H PHE A 41 -8.755 0.298 8.500 1.00 0.00 H new ATOM 0 HA PHE A 41 -11.612 0.238 9.261 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -10.178 -1.129 6.962 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -11.891 -0.798 7.125 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -8.909 0.263 5.677 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -12.484 1.800 7.392 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -8.514 2.393 4.566 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -12.107 3.938 6.246 1.00 0.00 H new ATOM 0 HZ PHE A 41 -10.106 4.238 4.846 1.00 0.00 H new ATOM 659 N GLU A 42 -11.325 -2.550 9.182 1.00 0.00 N ATOM 660 CA GLU A 42 -11.213 -3.868 9.760 1.00 0.00 C ATOM 661 C GLU A 42 -10.920 -4.855 8.639 1.00 0.00 C ATOM 662 O GLU A 42 -11.746 -5.712 8.307 1.00 0.00 O ATOM 663 CB GLU A 42 -12.524 -4.232 10.450 1.00 0.00 C ATOM 664 CG GLU A 42 -13.029 -3.162 11.397 1.00 0.00 C ATOM 665 CD GLU A 42 -14.418 -3.428 11.880 1.00 0.00 C ATOM 666 OE1 GLU A 42 -14.599 -3.755 13.068 1.00 0.00 O ATOM 667 OE2 GLU A 42 -15.373 -3.324 11.066 1.00 0.00 O ATOM 0 H GLU A 42 -12.089 -2.445 8.514 1.00 0.00 H new ATOM 0 HA GLU A 42 -10.411 -3.896 10.498 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -13.283 -4.422 9.692 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -12.388 -5.161 11.004 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -12.358 -3.094 12.253 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -13.003 -2.195 10.894 1.00 0.00 H new ATOM 674 N ILE A 43 -9.778 -4.705 8.020 1.00 0.00 N ATOM 675 CA ILE A 43 -9.440 -5.530 6.887 1.00 0.00 C ATOM 676 C ILE A 43 -8.502 -6.628 7.300 1.00 0.00 C ATOM 677 O ILE A 43 -7.361 -6.384 7.712 1.00 0.00 O ATOM 678 CB ILE A 43 -8.800 -4.710 5.757 1.00 0.00 C ATOM 679 CG1 ILE A 43 -9.642 -3.482 5.445 1.00 0.00 C ATOM 680 CG2 ILE A 43 -8.622 -5.556 4.507 1.00 0.00 C ATOM 681 CD1 ILE A 43 -11.028 -3.813 4.944 1.00 0.00 C ATOM 0 H ILE A 43 -9.067 -4.021 8.280 1.00 0.00 H new ATOM 0 HA ILE A 43 -10.368 -5.962 6.513 1.00 0.00 H new ATOM 0 HB ILE A 43 -7.816 -4.383 6.094 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -9.725 -2.871 6.344 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -9.128 -2.879 4.696 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -8.167 -4.953 3.721 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -7.977 -6.406 4.732 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -9.594 -5.917 4.171 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -11.572 -2.890 4.742 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -10.953 -4.398 4.028 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -11.560 -4.389 5.701 1.00 0.00 H new ATOM 693 N GLU A 44 -8.990 -7.811 7.191 1.00 0.00 N ATOM 694 CA GLU A 44 -8.267 -9.005 7.521 1.00 0.00 C ATOM 695 C GLU A 44 -7.279 -9.349 6.427 1.00 0.00 C ATOM 696 O GLU A 44 -7.352 -8.810 5.313 1.00 0.00 O ATOM 697 CB GLU A 44 -9.247 -10.145 7.667 1.00 0.00 C ATOM 698 CG GLU A 44 -10.245 -9.957 8.773 1.00 0.00 C ATOM 699 CD GLU A 44 -9.602 -9.963 10.135 1.00 0.00 C ATOM 700 OE1 GLU A 44 -8.951 -10.963 10.495 1.00 0.00 O ATOM 701 OE2 GLU A 44 -9.752 -8.974 10.885 1.00 0.00 O ATOM 0 H GLU A 44 -9.937 -7.990 6.858 1.00 0.00 H new ATOM 0 HA GLU A 44 -7.723 -8.842 8.452 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -9.783 -10.272 6.726 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -8.692 -11.066 7.845 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -10.771 -9.014 8.627 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -10.992 -10.750 8.723 1.00 0.00 H new ATOM 708 N SER A 45 -6.401 -10.282 6.725 1.00 0.00 N ATOM 709 CA SER A 45 -5.408 -10.771 5.793 1.00 0.00 C ATOM 710 C SER A 45 -6.114 -11.416 4.584 1.00 0.00 C ATOM 711 O SER A 45 -5.633 -11.346 3.448 1.00 0.00 O ATOM 712 CB SER A 45 -4.503 -11.787 6.517 1.00 0.00 C ATOM 713 OG SER A 45 -3.441 -12.221 5.698 1.00 0.00 O ATOM 0 H SER A 45 -6.356 -10.731 7.640 1.00 0.00 H new ATOM 0 HA SER A 45 -4.790 -9.951 5.428 1.00 0.00 H new ATOM 0 HB2 SER A 45 -4.101 -11.334 7.423 1.00 0.00 H new ATOM 0 HB3 SER A 45 -5.097 -12.647 6.827 1.00 0.00 H new ATOM 0 HG SER A 45 -2.888 -12.863 6.191 1.00 0.00 H new ATOM 719 N ASP A 46 -7.288 -11.981 4.855 1.00 0.00 N ATOM 720 CA ASP A 46 -8.157 -12.630 3.870 1.00 0.00 C ATOM 721 C ASP A 46 -8.526 -11.630 2.795 1.00 0.00 C ATOM 722 O ASP A 46 -8.400 -11.886 1.597 1.00 0.00 O ATOM 723 CB ASP A 46 -9.462 -13.062 4.564 1.00 0.00 C ATOM 724 CG ASP A 46 -9.248 -13.839 5.841 1.00 0.00 C ATOM 725 OD1 ASP A 46 -8.790 -13.234 6.838 1.00 0.00 O ATOM 726 OD2 ASP A 46 -9.568 -15.043 5.892 1.00 0.00 O ATOM 0 H ASP A 46 -7.676 -12.002 5.798 1.00 0.00 H new ATOM 0 HA ASP A 46 -7.638 -13.487 3.440 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -10.055 -12.175 4.785 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -10.045 -13.671 3.873 1.00 0.00 H new ATOM 731 N GLN A 47 -8.925 -10.465 3.259 1.00 0.00 N ATOM 732 CA GLN A 47 -9.393 -9.389 2.418 1.00 0.00 C ATOM 733 C GLN A 47 -8.214 -8.692 1.766 1.00 0.00 C ATOM 734 O GLN A 47 -8.290 -8.251 0.620 1.00 0.00 O ATOM 735 CB GLN A 47 -10.163 -8.416 3.267 1.00 0.00 C ATOM 736 CG GLN A 47 -11.260 -9.076 4.057 1.00 0.00 C ATOM 737 CD GLN A 47 -11.994 -8.110 4.920 1.00 0.00 C ATOM 738 OE1 GLN A 47 -11.613 -7.883 6.065 1.00 0.00 O ATOM 739 NE2 GLN A 47 -13.037 -7.543 4.400 1.00 0.00 N ATOM 0 H GLN A 47 -8.932 -10.237 4.253 1.00 0.00 H new ATOM 0 HA GLN A 47 -10.038 -9.784 1.633 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -9.478 -7.916 3.952 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -10.594 -7.645 2.628 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -11.961 -9.554 3.372 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -10.834 -9.864 4.678 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -13.314 -7.764 3.444 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -13.581 -6.876 4.947 1.00 0.00 H new ATOM 748 N MET A 48 -7.112 -8.589 2.511 1.00 0.00 N ATOM 749 CA MET A 48 -5.884 -8.009 1.982 1.00 0.00 C ATOM 750 C MET A 48 -5.388 -8.789 0.788 1.00 0.00 C ATOM 751 O MET A 48 -4.924 -8.211 -0.168 1.00 0.00 O ATOM 752 CB MET A 48 -4.775 -7.909 3.038 1.00 0.00 C ATOM 753 CG MET A 48 -4.958 -6.827 4.103 1.00 0.00 C ATOM 754 SD MET A 48 -4.479 -5.135 3.591 1.00 0.00 S ATOM 755 CE MET A 48 -5.512 -4.792 2.165 1.00 0.00 C ATOM 0 H MET A 48 -7.048 -8.900 3.480 1.00 0.00 H new ATOM 0 HA MET A 48 -6.133 -6.994 1.671 1.00 0.00 H new ATOM 0 HB2 MET A 48 -4.690 -8.873 3.539 1.00 0.00 H new ATOM 0 HB3 MET A 48 -3.829 -7.731 2.527 1.00 0.00 H new ATOM 0 HG2 MET A 48 -6.004 -6.814 4.408 1.00 0.00 H new ATOM 0 HG3 MET A 48 -4.374 -7.102 4.981 1.00 0.00 H new ATOM 0 HE1 MET A 48 -5.537 -3.717 1.984 1.00 0.00 H new ATOM 0 HE2 MET A 48 -5.104 -5.298 1.290 1.00 0.00 H new ATOM 0 HE3 MET A 48 -6.524 -5.151 2.354 1.00 0.00 H new ATOM 765 N ASP A 49 -5.529 -10.106 0.852 1.00 0.00 N ATOM 766 CA ASP A 49 -5.146 -11.019 -0.247 1.00 0.00 C ATOM 767 C ASP A 49 -5.843 -10.653 -1.538 1.00 0.00 C ATOM 768 O ASP A 49 -5.226 -10.617 -2.606 1.00 0.00 O ATOM 769 CB ASP A 49 -5.486 -12.456 0.125 1.00 0.00 C ATOM 770 CG ASP A 49 -5.317 -13.423 -1.025 1.00 0.00 C ATOM 771 OD1 ASP A 49 -4.182 -13.806 -1.327 1.00 0.00 O ATOM 772 OD2 ASP A 49 -6.331 -13.848 -1.605 1.00 0.00 O ATOM 0 H ASP A 49 -5.913 -10.586 1.666 1.00 0.00 H new ATOM 0 HA ASP A 49 -4.071 -10.923 -0.399 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -4.850 -12.771 0.953 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -6.516 -12.499 0.480 1.00 0.00 H new ATOM 777 N GLU A 50 -7.105 -10.331 -1.420 1.00 0.00 N ATOM 778 CA GLU A 50 -7.914 -9.965 -2.552 1.00 0.00 C ATOM 779 C GLU A 50 -7.395 -8.655 -3.155 1.00 0.00 C ATOM 780 O GLU A 50 -7.344 -8.489 -4.375 1.00 0.00 O ATOM 781 CB GLU A 50 -9.355 -9.833 -2.115 1.00 0.00 C ATOM 782 CG GLU A 50 -9.893 -11.089 -1.446 1.00 0.00 C ATOM 783 CD GLU A 50 -11.306 -10.932 -1.004 1.00 0.00 C ATOM 784 OE1 GLU A 50 -11.545 -10.561 0.163 1.00 0.00 O ATOM 785 OE2 GLU A 50 -12.213 -11.133 -1.824 1.00 0.00 O ATOM 0 H GLU A 50 -7.603 -10.315 -0.530 1.00 0.00 H new ATOM 0 HA GLU A 50 -7.855 -10.738 -3.319 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -9.444 -8.994 -1.424 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -9.972 -9.598 -2.983 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -9.823 -11.926 -2.140 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -9.271 -11.335 -0.586 1.00 0.00 H new ATOM 792 N TYR A 51 -6.968 -7.750 -2.285 1.00 0.00 N ATOM 793 CA TYR A 51 -6.383 -6.497 -2.719 1.00 0.00 C ATOM 794 C TYR A 51 -5.001 -6.756 -3.320 1.00 0.00 C ATOM 795 O TYR A 51 -4.600 -6.075 -4.265 1.00 0.00 O ATOM 796 CB TYR A 51 -6.348 -5.480 -1.587 1.00 0.00 C ATOM 797 CG TYR A 51 -5.809 -4.122 -1.986 1.00 0.00 C ATOM 798 CD1 TYR A 51 -6.293 -3.441 -3.113 1.00 0.00 C ATOM 799 CD2 TYR A 51 -4.818 -3.516 -1.238 1.00 0.00 C ATOM 800 CE1 TYR A 51 -5.784 -2.216 -3.459 1.00 0.00 C ATOM 801 CE2 TYR A 51 -4.316 -2.286 -1.588 1.00 0.00 C ATOM 802 CZ TYR A 51 -4.803 -1.647 -2.699 1.00 0.00 C ATOM 803 OH TYR A 51 -4.282 -0.448 -3.067 1.00 0.00 O ATOM 0 H TYR A 51 -7.018 -7.864 -1.273 1.00 0.00 H new ATOM 0 HA TYR A 51 -7.009 -6.059 -3.497 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -7.357 -5.356 -1.194 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -5.737 -5.877 -0.776 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -7.073 -3.886 -3.713 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -4.431 -4.018 -0.363 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -6.159 -1.702 -4.332 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -3.542 -1.825 -0.992 1.00 0.00 H new ATOM 0 HH TYR A 51 -4.992 0.227 -3.081 1.00 0.00 H new ATOM 813 N TYR A 52 -4.272 -7.731 -2.781 1.00 0.00 N ATOM 814 CA TYR A 52 -2.940 -8.078 -3.274 1.00 0.00 C ATOM 815 C TYR A 52 -3.010 -8.538 -4.701 1.00 0.00 C ATOM 816 O TYR A 52 -2.159 -8.182 -5.526 1.00 0.00 O ATOM 817 CB TYR A 52 -2.230 -9.137 -2.407 1.00 0.00 C ATOM 818 CG TYR A 52 -1.914 -8.693 -0.991 1.00 0.00 C ATOM 819 CD1 TYR A 52 -1.567 -7.380 -0.706 1.00 0.00 C ATOM 820 CD2 TYR A 52 -1.950 -9.595 0.061 1.00 0.00 C ATOM 821 CE1 TYR A 52 -1.275 -6.987 0.575 1.00 0.00 C ATOM 822 CE2 TYR A 52 -1.660 -9.198 1.348 1.00 0.00 C ATOM 823 CZ TYR A 52 -1.325 -7.899 1.595 1.00 0.00 C ATOM 824 OH TYR A 52 -1.031 -7.512 2.869 1.00 0.00 O ATOM 0 H TYR A 52 -4.585 -8.300 -1.995 1.00 0.00 H new ATOM 0 HA TYR A 52 -2.342 -7.169 -3.212 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -2.856 -10.028 -2.362 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -1.301 -9.425 -2.898 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -1.526 -6.656 -1.506 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -2.210 -10.626 -0.131 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -1.006 -5.961 0.779 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -1.698 -9.912 2.158 1.00 0.00 H new ATOM 0 HH TYR A 52 -1.115 -8.280 3.472 1.00 0.00 H new ATOM 834 N GLU A 53 -4.050 -9.311 -5.005 1.00 0.00 N ATOM 835 CA GLU A 53 -4.283 -9.770 -6.343 1.00 0.00 C ATOM 836 C GLU A 53 -4.542 -8.581 -7.239 1.00 0.00 C ATOM 837 O GLU A 53 -3.921 -8.450 -8.281 1.00 0.00 O ATOM 838 CB GLU A 53 -5.477 -10.708 -6.393 1.00 0.00 C ATOM 839 CG GLU A 53 -5.635 -11.392 -7.736 1.00 0.00 C ATOM 840 CD GLU A 53 -4.512 -12.351 -8.009 1.00 0.00 C ATOM 841 OE1 GLU A 53 -4.648 -13.529 -7.649 1.00 0.00 O ATOM 842 OE2 GLU A 53 -3.464 -11.943 -8.574 1.00 0.00 O ATOM 0 H GLU A 53 -4.742 -9.627 -4.325 1.00 0.00 H new ATOM 0 HA GLU A 53 -3.402 -10.313 -6.684 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -5.371 -11.465 -5.616 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -6.384 -10.146 -6.168 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -6.584 -11.927 -7.762 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -5.671 -10.640 -8.525 1.00 0.00 H new ATOM 849 N PHE A 54 -5.408 -7.688 -6.775 1.00 0.00 N ATOM 850 CA PHE A 54 -5.764 -6.489 -7.498 1.00 0.00 C ATOM 851 C PHE A 54 -4.517 -5.671 -7.845 1.00 0.00 C ATOM 852 O PHE A 54 -4.326 -5.261 -8.994 1.00 0.00 O ATOM 853 CB PHE A 54 -6.757 -5.657 -6.674 1.00 0.00 C ATOM 854 CG PHE A 54 -6.932 -4.261 -7.174 1.00 0.00 C ATOM 855 CD1 PHE A 54 -6.236 -3.246 -6.578 1.00 0.00 C ATOM 856 CD2 PHE A 54 -7.755 -3.967 -8.241 1.00 0.00 C ATOM 857 CE1 PHE A 54 -6.343 -1.967 -7.016 1.00 0.00 C ATOM 858 CE2 PHE A 54 -7.872 -2.670 -8.687 1.00 0.00 C ATOM 859 CZ PHE A 54 -7.156 -1.672 -8.065 1.00 0.00 C ATOM 0 H PHE A 54 -5.883 -7.783 -5.877 1.00 0.00 H new ATOM 0 HA PHE A 54 -6.243 -6.774 -8.435 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -7.725 -6.158 -6.675 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -6.417 -5.623 -5.639 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -5.589 -3.467 -5.742 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -8.309 -4.756 -8.728 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -5.782 -1.182 -6.531 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -8.521 -2.437 -9.519 1.00 0.00 H new ATOM 0 HZ PHE A 54 -7.240 -0.652 -8.411 1.00 0.00 H new ATOM 869 N LEU A 55 -3.689 -5.428 -6.845 1.00 0.00 N ATOM 870 CA LEU A 55 -2.443 -4.699 -7.017 1.00 0.00 C ATOM 871 C LEU A 55 -1.530 -5.370 -8.036 1.00 0.00 C ATOM 872 O LEU A 55 -0.933 -4.707 -8.896 1.00 0.00 O ATOM 873 CB LEU A 55 -1.737 -4.513 -5.685 1.00 0.00 C ATOM 874 CG LEU A 55 -2.401 -3.549 -4.713 1.00 0.00 C ATOM 875 CD1 LEU A 55 -1.675 -3.575 -3.390 1.00 0.00 C ATOM 876 CD2 LEU A 55 -2.413 -2.130 -5.286 1.00 0.00 C ATOM 0 H LEU A 55 -3.862 -5.731 -5.887 1.00 0.00 H new ATOM 0 HA LEU A 55 -2.692 -3.713 -7.410 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -1.652 -5.486 -5.201 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -0.723 -4.163 -5.878 1.00 0.00 H new ATOM 0 HG LEU A 55 -3.433 -3.863 -4.558 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -2.155 -2.883 -2.698 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -1.708 -4.583 -2.976 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -0.637 -3.278 -3.539 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -2.892 -1.455 -4.577 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -1.389 -1.801 -5.465 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -2.966 -2.121 -6.225 1.00 0.00 H new ATOM 888 N GLY A 56 -1.461 -6.692 -7.930 1.00 0.00 N ATOM 889 CA GLY A 56 -0.684 -7.484 -8.866 1.00 0.00 C ATOM 890 C GLY A 56 -1.218 -7.347 -10.273 1.00 0.00 C ATOM 891 O GLY A 56 -0.439 -7.271 -11.231 1.00 0.00 O ATOM 0 H GLY A 56 -1.934 -7.233 -7.206 1.00 0.00 H new ATOM 0 HA2 GLY A 56 0.358 -7.166 -8.837 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -0.706 -8.532 -8.566 1.00 0.00 H new ATOM 895 N GLU A 57 -2.539 -7.293 -10.400 1.00 0.00 N ATOM 896 CA GLU A 57 -3.184 -7.105 -11.658 1.00 0.00 C ATOM 897 C GLU A 57 -2.844 -5.754 -12.258 1.00 0.00 C ATOM 898 O GLU A 57 -2.793 -5.608 -13.475 1.00 0.00 O ATOM 899 CB GLU A 57 -4.691 -7.205 -11.512 1.00 0.00 C ATOM 900 CG GLU A 57 -5.215 -8.544 -11.050 1.00 0.00 C ATOM 901 CD GLU A 57 -6.720 -8.589 -11.034 1.00 0.00 C ATOM 902 OE1 GLU A 57 -7.355 -8.033 -10.103 1.00 0.00 O ATOM 903 OE2 GLU A 57 -7.312 -9.189 -11.951 1.00 0.00 O ATOM 0 H GLU A 57 -3.183 -7.381 -9.614 1.00 0.00 H new ATOM 0 HA GLU A 57 -2.824 -7.892 -12.320 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -5.021 -6.443 -10.806 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -5.148 -6.968 -12.473 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -4.836 -9.327 -11.707 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -4.836 -8.756 -10.050 1.00 0.00 H new ATOM 910 N GLN A 58 -2.645 -4.745 -11.402 1.00 0.00 N ATOM 911 CA GLN A 58 -2.344 -3.405 -11.869 1.00 0.00 C ATOM 912 C GLN A 58 -0.878 -3.313 -12.265 1.00 0.00 C ATOM 913 O GLN A 58 -0.555 -2.857 -13.353 1.00 0.00 O ATOM 914 CB GLN A 58 -2.653 -2.352 -10.790 1.00 0.00 C ATOM 915 CG GLN A 58 -4.054 -2.408 -10.203 1.00 0.00 C ATOM 916 CD GLN A 58 -5.130 -2.369 -11.257 1.00 0.00 C ATOM 917 OE1 GLN A 58 -5.572 -1.302 -11.667 1.00 0.00 O ATOM 918 NE2 GLN A 58 -5.594 -3.525 -11.661 1.00 0.00 N ATOM 0 H GLN A 58 -2.689 -4.840 -10.387 1.00 0.00 H new ATOM 0 HA GLN A 58 -2.974 -3.202 -12.735 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -1.933 -2.466 -9.979 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -2.497 -1.362 -11.218 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -4.161 -3.320 -9.615 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -4.191 -1.570 -9.520 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -5.197 -4.390 -11.294 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -6.352 -3.560 -12.343 1.00 0.00 H new ATOM 927 N GLY A 59 -0.012 -3.694 -11.371 1.00 0.00 N ATOM 928 CA GLY A 59 1.406 -3.684 -11.657 1.00 0.00 C ATOM 929 C GLY A 59 2.204 -3.352 -10.428 1.00 0.00 C ATOM 930 O GLY A 59 3.055 -2.455 -10.443 1.00 0.00 O ATOM 0 H GLY A 59 -0.256 -4.017 -10.435 1.00 0.00 H new ATOM 0 HA2 GLY A 59 1.710 -4.659 -12.039 1.00 0.00 H new ATOM 0 HA3 GLY A 59 1.617 -2.955 -12.439 1.00 0.00 H new ATOM 934 N VAL A 60 1.904 -4.039 -9.351 1.00 0.00 N ATOM 935 CA VAL A 60 2.573 -3.823 -8.094 1.00 0.00 C ATOM 936 C VAL A 60 2.946 -5.162 -7.513 1.00 0.00 C ATOM 937 O VAL A 60 2.135 -6.086 -7.506 1.00 0.00 O ATOM 938 CB VAL A 60 1.655 -3.107 -7.054 1.00 0.00 C ATOM 939 CG1 VAL A 60 2.444 -2.718 -5.817 1.00 0.00 C ATOM 940 CG2 VAL A 60 0.943 -1.900 -7.652 1.00 0.00 C ATOM 0 H VAL A 60 1.187 -4.764 -9.324 1.00 0.00 H new ATOM 0 HA VAL A 60 3.443 -3.196 -8.288 1.00 0.00 H new ATOM 0 HB VAL A 60 0.883 -3.818 -6.760 1.00 0.00 H new ATOM 0 HG11 VAL A 60 1.784 -2.221 -5.106 1.00 0.00 H new ATOM 0 HG12 VAL A 60 2.864 -3.612 -5.357 1.00 0.00 H new ATOM 0 HG13 VAL A 60 3.251 -2.041 -6.098 1.00 0.00 H new ATOM 0 HG21 VAL A 60 0.316 -1.434 -6.892 1.00 0.00 H new ATOM 0 HG22 VAL A 60 1.681 -1.180 -8.005 1.00 0.00 H new ATOM 0 HG23 VAL A 60 0.322 -2.221 -8.488 1.00 0.00 H new ATOM 950 N GLU A 61 4.160 -5.283 -7.088 1.00 0.00 N ATOM 951 CA GLU A 61 4.599 -6.450 -6.384 1.00 0.00 C ATOM 952 C GLU A 61 4.548 -6.143 -4.921 1.00 0.00 C ATOM 953 O GLU A 61 4.838 -5.018 -4.516 1.00 0.00 O ATOM 954 CB GLU A 61 6.000 -6.810 -6.799 1.00 0.00 C ATOM 955 CG GLU A 61 6.077 -7.263 -8.224 1.00 0.00 C ATOM 956 CD GLU A 61 7.476 -7.496 -8.672 1.00 0.00 C ATOM 957 OE1 GLU A 61 7.958 -6.723 -9.519 1.00 0.00 O ATOM 958 OE2 GLU A 61 8.133 -8.439 -8.174 1.00 0.00 O ATOM 0 H GLU A 61 4.882 -4.574 -7.218 1.00 0.00 H new ATOM 0 HA GLU A 61 3.957 -7.300 -6.613 1.00 0.00 H new ATOM 0 HB2 GLU A 61 6.650 -5.946 -6.660 1.00 0.00 H new ATOM 0 HB3 GLU A 61 6.376 -7.600 -6.149 1.00 0.00 H new ATOM 0 HG2 GLU A 61 5.503 -8.182 -8.341 1.00 0.00 H new ATOM 0 HG3 GLU A 61 5.613 -6.514 -8.866 1.00 0.00 H new ATOM 965 N LEU A 62 4.132 -7.066 -4.137 1.00 0.00 N ATOM 966 CA LEU A 62 4.044 -6.825 -2.753 1.00 0.00 C ATOM 967 C LEU A 62 5.262 -7.398 -2.046 1.00 0.00 C ATOM 968 O LEU A 62 5.482 -8.613 -2.029 1.00 0.00 O ATOM 969 CB LEU A 62 2.730 -7.380 -2.180 1.00 0.00 C ATOM 970 CG LEU A 62 1.416 -6.963 -2.898 1.00 0.00 C ATOM 971 CD1 LEU A 62 1.393 -5.500 -3.291 1.00 0.00 C ATOM 972 CD2 LEU A 62 1.052 -7.883 -4.061 1.00 0.00 C ATOM 0 H LEU A 62 3.847 -7.999 -4.435 1.00 0.00 H new ATOM 0 HA LEU A 62 4.034 -5.749 -2.581 1.00 0.00 H new ATOM 0 HB2 LEU A 62 2.790 -8.468 -2.188 1.00 0.00 H new ATOM 0 HB3 LEU A 62 2.658 -7.072 -1.137 1.00 0.00 H new ATOM 0 HG LEU A 62 0.629 -7.089 -2.154 1.00 0.00 H new ATOM 0 HD11 LEU A 62 0.450 -5.271 -3.788 1.00 0.00 H new ATOM 0 HD12 LEU A 62 1.492 -4.882 -2.399 1.00 0.00 H new ATOM 0 HD13 LEU A 62 2.220 -5.293 -3.970 1.00 0.00 H new ATOM 0 HD21 LEU A 62 0.125 -7.539 -4.521 1.00 0.00 H new ATOM 0 HD22 LEU A 62 1.852 -7.868 -4.801 1.00 0.00 H new ATOM 0 HD23 LEU A 62 0.918 -8.900 -3.692 1.00 0.00 H new ATOM 984 N ILE A 63 6.081 -6.525 -1.516 1.00 0.00 N ATOM 985 CA ILE A 63 7.254 -6.937 -0.798 1.00 0.00 C ATOM 986 C ILE A 63 6.994 -7.046 0.637 1.00 0.00 C ATOM 987 O ILE A 63 5.989 -6.583 1.152 1.00 0.00 O ATOM 988 CB ILE A 63 8.458 -5.996 -0.922 1.00 0.00 C ATOM 989 CG1 ILE A 63 8.089 -4.536 -0.671 1.00 0.00 C ATOM 990 CG2 ILE A 63 9.190 -6.198 -2.178 1.00 0.00 C ATOM 991 CD1 ILE A 63 9.263 -3.583 -0.701 1.00 0.00 C ATOM 0 H ILE A 63 5.952 -5.515 -1.571 1.00 0.00 H new ATOM 0 HA ILE A 63 7.496 -7.893 -1.261 1.00 0.00 H new ATOM 0 HB ILE A 63 9.149 -6.264 -0.123 1.00 0.00 H new ATOM 0 HG12 ILE A 63 7.363 -4.223 -1.421 1.00 0.00 H new ATOM 0 HG13 ILE A 63 7.598 -4.459 0.299 1.00 0.00 H new ATOM 0 HG21 ILE A 63 10.034 -5.510 -2.222 1.00 0.00 H new ATOM 0 HG22 ILE A 63 9.555 -7.224 -2.225 1.00 0.00 H new ATOM 0 HG23 ILE A 63 8.525 -6.010 -3.021 1.00 0.00 H new ATOM 0 HD11 ILE A 63 8.913 -2.568 -0.514 1.00 0.00 H new ATOM 0 HD12 ILE A 63 9.982 -3.867 0.068 1.00 0.00 H new ATOM 0 HD13 ILE A 63 9.742 -3.627 -1.679 1.00 0.00 H new ATOM 1003 N SER A 64 7.918 -7.618 1.276 1.00 0.00 N ATOM 1004 CA SER A 64 7.943 -7.703 2.659 1.00 0.00 C ATOM 1005 C SER A 64 8.392 -6.344 3.192 1.00 0.00 C ATOM 1006 O SER A 64 9.094 -5.637 2.523 1.00 0.00 O ATOM 1007 CB SER A 64 8.914 -8.791 2.977 1.00 0.00 C ATOM 1008 OG SER A 64 8.416 -10.065 2.574 1.00 0.00 O ATOM 0 H SER A 64 8.717 -8.062 0.824 1.00 0.00 H new ATOM 0 HA SER A 64 6.979 -7.934 3.112 1.00 0.00 H new ATOM 0 HB2 SER A 64 9.861 -8.594 2.476 1.00 0.00 H new ATOM 0 HB3 SER A 64 9.116 -8.799 4.048 1.00 0.00 H new ATOM 0 HG SER A 64 9.074 -10.758 2.793 1.00 0.00 H new ATOM 1014 N GLU A 65 7.961 -5.978 4.356 1.00 0.00 N ATOM 1015 CA GLU A 65 8.315 -4.691 4.926 1.00 0.00 C ATOM 1016 C GLU A 65 9.730 -4.755 5.505 1.00 0.00 C ATOM 1017 O GLU A 65 10.383 -3.735 5.750 1.00 0.00 O ATOM 1018 CB GLU A 65 7.207 -4.253 5.910 1.00 0.00 C ATOM 1019 CG GLU A 65 7.366 -2.908 6.618 1.00 0.00 C ATOM 1020 CD GLU A 65 8.315 -2.941 7.793 1.00 0.00 C ATOM 1021 OE1 GLU A 65 9.150 -2.018 7.923 1.00 0.00 O ATOM 1022 OE2 GLU A 65 8.253 -3.885 8.603 1.00 0.00 O ATOM 0 H GLU A 65 7.356 -6.549 4.946 1.00 0.00 H new ATOM 0 HA GLU A 65 8.359 -3.907 4.170 1.00 0.00 H new ATOM 0 HB2 GLU A 65 6.264 -4.233 5.364 1.00 0.00 H new ATOM 0 HB3 GLU A 65 7.116 -5.024 6.675 1.00 0.00 H new ATOM 0 HG2 GLU A 65 7.720 -2.170 5.898 1.00 0.00 H new ATOM 0 HG3 GLU A 65 6.388 -2.573 6.963 1.00 0.00 H new ATOM 1029 N ASN A 66 10.220 -5.978 5.641 1.00 0.00 N ATOM 1030 CA ASN A 66 11.604 -6.239 6.050 1.00 0.00 C ATOM 1031 C ASN A 66 12.580 -5.729 4.982 1.00 0.00 C ATOM 1032 O ASN A 66 13.737 -5.414 5.261 1.00 0.00 O ATOM 1033 CB ASN A 66 11.801 -7.741 6.333 1.00 0.00 C ATOM 1034 CG ASN A 66 13.219 -8.114 6.759 1.00 0.00 C ATOM 1035 OD1 ASN A 66 14.062 -8.441 5.929 1.00 0.00 O ATOM 1036 ND2 ASN A 66 13.484 -8.075 8.038 1.00 0.00 N ATOM 0 H ASN A 66 9.674 -6.823 5.472 1.00 0.00 H new ATOM 0 HA ASN A 66 11.813 -5.698 6.973 1.00 0.00 H new ATOM 0 HB2 ASN A 66 11.106 -8.047 7.115 1.00 0.00 H new ATOM 0 HB3 ASN A 66 11.542 -8.306 5.437 1.00 0.00 H new ATOM 0 HD21 ASN A 66 14.415 -8.321 8.374 1.00 0.00 H new ATOM 0 HD22 ASN A 66 12.760 -7.799 8.701 1.00 0.00 H new ATOM 1043 N GLU A 67 12.064 -5.572 3.802 1.00 0.00 N ATOM 1044 CA GLU A 67 12.805 -5.086 2.672 1.00 0.00 C ATOM 1045 C GLU A 67 12.086 -3.836 2.166 1.00 0.00 C ATOM 1046 O GLU A 67 10.963 -3.567 2.595 1.00 0.00 O ATOM 1047 CB GLU A 67 12.859 -6.183 1.595 1.00 0.00 C ATOM 1048 CG GLU A 67 11.516 -6.521 0.997 1.00 0.00 C ATOM 1049 CD GLU A 67 11.522 -7.768 0.170 1.00 0.00 C ATOM 1050 OE1 GLU A 67 11.810 -7.707 -1.041 1.00 0.00 O ATOM 1051 OE2 GLU A 67 11.197 -8.830 0.711 1.00 0.00 O ATOM 0 H GLU A 67 11.089 -5.783 3.589 1.00 0.00 H new ATOM 0 HA GLU A 67 13.832 -4.834 2.936 1.00 0.00 H new ATOM 0 HB2 GLU A 67 13.530 -5.863 0.798 1.00 0.00 H new ATOM 0 HB3 GLU A 67 13.289 -7.085 2.031 1.00 0.00 H new ATOM 0 HG2 GLU A 67 10.788 -6.632 1.801 1.00 0.00 H new ATOM 0 HG3 GLU A 67 11.183 -5.687 0.379 1.00 0.00 H new ATOM 1058 N GLU A 68 12.731 -3.074 1.310 1.00 0.00 N ATOM 1059 CA GLU A 68 12.147 -1.864 0.717 1.00 0.00 C ATOM 1060 C GLU A 68 13.194 -1.289 -0.240 1.00 0.00 C ATOM 1061 O GLU A 68 14.384 -1.585 -0.089 1.00 0.00 O ATOM 1062 CB GLU A 68 11.771 -0.833 1.814 1.00 0.00 C ATOM 1063 CG GLU A 68 10.487 -0.034 1.536 1.00 0.00 C ATOM 1064 CD GLU A 68 10.578 0.821 0.309 1.00 0.00 C ATOM 1065 OE1 GLU A 68 10.983 1.969 0.428 1.00 0.00 O ATOM 1066 OE2 GLU A 68 10.320 0.333 -0.797 1.00 0.00 O ATOM 0 H GLU A 68 13.682 -3.267 0.996 1.00 0.00 H new ATOM 0 HA GLU A 68 11.226 -2.101 0.184 1.00 0.00 H new ATOM 0 HB2 GLU A 68 11.657 -1.358 2.762 1.00 0.00 H new ATOM 0 HB3 GLU A 68 12.598 -0.134 1.934 1.00 0.00 H new ATOM 0 HG2 GLU A 68 9.652 -0.726 1.427 1.00 0.00 H new ATOM 0 HG3 GLU A 68 10.267 0.598 2.396 1.00 0.00 H new ATOM 1073 N THR A 69 12.786 -0.490 -1.197 1.00 0.00 N ATOM 1074 CA THR A 69 13.701 0.008 -2.172 1.00 0.00 C ATOM 1075 C THR A 69 13.874 1.506 -2.130 1.00 0.00 C ATOM 1076 O THR A 69 14.943 2.020 -2.469 1.00 0.00 O ATOM 1077 CB THR A 69 13.444 -0.555 -3.599 1.00 0.00 C ATOM 1078 OG1 THR A 69 14.488 -0.154 -4.506 1.00 0.00 O ATOM 1079 CG2 THR A 69 12.095 -0.095 -4.141 1.00 0.00 C ATOM 0 H THR A 69 11.823 -0.176 -1.314 1.00 0.00 H new ATOM 0 HA THR A 69 14.674 -0.389 -1.882 1.00 0.00 H new ATOM 0 HB THR A 69 13.438 -1.642 -3.521 1.00 0.00 H new ATOM 0 HG1 THR A 69 14.306 -0.521 -5.397 1.00 0.00 H new ATOM 0 HG21 THR A 69 11.945 -0.505 -5.140 1.00 0.00 H new ATOM 0 HG22 THR A 69 11.300 -0.444 -3.482 1.00 0.00 H new ATOM 0 HG23 THR A 69 12.074 0.994 -4.189 1.00 0.00 H new ATOM 1087 N GLU A 70 12.906 2.196 -1.650 1.00 0.00 N ATOM 1088 CA GLU A 70 13.011 3.643 -1.586 1.00 0.00 C ATOM 1089 C GLU A 70 13.575 4.023 -0.264 1.00 0.00 C ATOM 1090 O GLU A 70 13.938 5.175 -0.017 1.00 0.00 O ATOM 1091 CB GLU A 70 11.679 4.313 -1.780 1.00 0.00 C ATOM 1092 CG GLU A 70 10.958 3.815 -2.982 1.00 0.00 C ATOM 1093 CD GLU A 70 9.731 4.646 -3.302 1.00 0.00 C ATOM 1094 OE1 GLU A 70 8.808 4.716 -2.476 1.00 0.00 O ATOM 1095 OE2 GLU A 70 9.674 5.259 -4.399 1.00 0.00 O ATOM 0 H GLU A 70 12.033 1.807 -1.294 1.00 0.00 H new ATOM 0 HA GLU A 70 13.663 3.976 -2.393 1.00 0.00 H new ATOM 0 HB2 GLU A 70 11.062 4.149 -0.897 1.00 0.00 H new ATOM 0 HB3 GLU A 70 11.827 5.389 -1.870 1.00 0.00 H new ATOM 0 HG2 GLU A 70 11.633 3.824 -3.838 1.00 0.00 H new ATOM 0 HG3 GLU A 70 10.661 2.779 -2.821 1.00 0.00 H new ATOM 1102 N ASP A 71 13.680 3.039 0.586 1.00 0.00 N ATOM 1103 CA ASP A 71 14.184 3.266 1.900 1.00 0.00 C ATOM 1104 C ASP A 71 15.663 2.913 1.922 1.00 0.00 C ATOM 1105 O ASP A 71 16.318 2.940 2.938 1.00 0.00 O ATOM 1106 CB ASP A 71 13.382 2.474 2.945 1.00 0.00 C ATOM 1107 CG ASP A 71 13.649 2.910 4.376 1.00 0.00 C ATOM 1108 OD1 ASP A 71 13.113 3.981 4.792 1.00 0.00 O ATOM 1109 OD2 ASP A 71 14.337 2.176 5.121 1.00 0.00 O ATOM 0 H ASP A 71 13.421 2.073 0.386 1.00 0.00 H new ATOM 0 HA ASP A 71 14.071 4.318 2.164 1.00 0.00 H new ATOM 0 HB2 ASP A 71 12.318 2.583 2.733 1.00 0.00 H new ATOM 0 HB3 ASP A 71 13.620 1.415 2.847 1.00 0.00 H new ATOM 1114 N LEU A 72 16.176 2.564 0.759 1.00 0.00 N ATOM 1115 CA LEU A 72 17.592 2.278 0.603 1.00 0.00 C ATOM 1116 C LEU A 72 18.327 3.579 0.364 1.00 0.00 C ATOM 1117 O LEU A 72 19.449 3.777 0.822 1.00 0.00 O ATOM 1118 CB LEU A 72 17.840 1.297 -0.551 1.00 0.00 C ATOM 1119 CG LEU A 72 17.263 -0.112 -0.375 1.00 0.00 C ATOM 1120 CD1 LEU A 72 17.509 -0.945 -1.619 1.00 0.00 C ATOM 1121 CD2 LEU A 72 17.877 -0.795 0.843 1.00 0.00 C ATOM 0 H LEU A 72 15.631 2.471 -0.098 1.00 0.00 H new ATOM 0 HA LEU A 72 17.963 1.805 1.512 1.00 0.00 H new ATOM 0 HB2 LEU A 72 17.423 1.727 -1.462 1.00 0.00 H new ATOM 0 HB3 LEU A 72 18.916 1.211 -0.702 1.00 0.00 H new ATOM 0 HG LEU A 72 16.188 -0.023 -0.219 1.00 0.00 H new ATOM 0 HD11 LEU A 72 17.093 -1.942 -1.477 1.00 0.00 H new ATOM 0 HD12 LEU A 72 17.030 -0.470 -2.475 1.00 0.00 H new ATOM 0 HD13 LEU A 72 18.581 -1.021 -1.800 1.00 0.00 H new ATOM 0 HD21 LEU A 72 17.455 -1.794 0.951 1.00 0.00 H new ATOM 0 HD22 LEU A 72 18.957 -0.869 0.713 1.00 0.00 H new ATOM 0 HD23 LEU A 72 17.659 -0.210 1.737 1.00 0.00 H new ATOM 1133 N GLU A 73 17.681 4.461 -0.349 1.00 0.00 N ATOM 1134 CA GLU A 73 18.199 5.773 -0.598 1.00 0.00 C ATOM 1135 C GLU A 73 17.326 6.796 0.115 1.00 0.00 C ATOM 1136 O GLU A 73 16.260 7.179 -0.366 1.00 0.00 O ATOM 1137 CB GLU A 73 18.351 6.043 -2.111 1.00 0.00 C ATOM 1138 CG GLU A 73 17.131 5.691 -2.963 1.00 0.00 C ATOM 1139 CD GLU A 73 17.371 5.954 -4.429 1.00 0.00 C ATOM 1140 OE1 GLU A 73 16.862 6.947 -4.958 1.00 0.00 O ATOM 1141 OE2 GLU A 73 18.102 5.177 -5.074 1.00 0.00 O ATOM 0 H GLU A 73 16.772 4.285 -0.776 1.00 0.00 H new ATOM 0 HA GLU A 73 19.207 5.856 -0.192 1.00 0.00 H new ATOM 0 HB2 GLU A 73 18.581 7.099 -2.254 1.00 0.00 H new ATOM 0 HB3 GLU A 73 19.207 5.478 -2.480 1.00 0.00 H new ATOM 0 HG2 GLU A 73 16.880 4.640 -2.820 1.00 0.00 H new ATOM 0 HG3 GLU A 73 16.273 6.273 -2.626 1.00 0.00 H new ATOM 1148 N HIS A 74 17.755 7.164 1.300 1.00 0.00 N ATOM 1149 CA HIS A 74 17.002 8.060 2.155 1.00 0.00 C ATOM 1150 C HIS A 74 17.010 9.474 1.659 1.00 0.00 C ATOM 1151 O HIS A 74 18.028 10.151 1.696 1.00 0.00 O ATOM 1152 CB HIS A 74 17.500 8.012 3.603 1.00 0.00 C ATOM 1153 CG HIS A 74 17.175 6.743 4.314 1.00 0.00 C ATOM 1154 ND1 HIS A 74 16.055 6.566 5.086 1.00 0.00 N ATOM 1155 CD2 HIS A 74 17.845 5.578 4.366 1.00 0.00 C ATOM 1156 CE1 HIS A 74 16.077 5.333 5.565 1.00 0.00 C ATOM 1157 NE2 HIS A 74 17.145 4.686 5.161 1.00 0.00 N ATOM 0 H HIS A 74 18.639 6.851 1.702 1.00 0.00 H new ATOM 0 HA HIS A 74 15.972 7.704 2.126 1.00 0.00 H new ATOM 0 HB2 HIS A 74 18.581 8.154 3.610 1.00 0.00 H new ATOM 0 HB3 HIS A 74 17.066 8.846 4.154 1.00 0.00 H new ATOM 0 HD2 HIS A 74 18.780 5.371 3.867 1.00 0.00 H new ATOM 0 HE1 HIS A 74 15.315 4.913 6.205 1.00 0.00 H new ATOM 0 HE2 HIS A 74 17.405 3.726 5.386 1.00 0.00 H new ATOM 1165 N HIS A 75 15.882 9.913 1.185 1.00 0.00 N ATOM 1166 CA HIS A 75 15.712 11.282 0.765 1.00 0.00 C ATOM 1167 C HIS A 75 14.914 12.022 1.813 1.00 0.00 C ATOM 1168 O HIS A 75 13.839 12.562 1.543 1.00 0.00 O ATOM 1169 CB HIS A 75 15.032 11.376 -0.611 1.00 0.00 C ATOM 1170 CG HIS A 75 15.868 10.863 -1.745 1.00 0.00 C ATOM 1171 ND1 HIS A 75 15.753 9.600 -2.282 1.00 0.00 N ATOM 1172 CD2 HIS A 75 16.843 11.482 -2.455 1.00 0.00 C ATOM 1173 CE1 HIS A 75 16.629 9.491 -3.271 1.00 0.00 C ATOM 1174 NE2 HIS A 75 17.325 10.608 -3.424 1.00 0.00 N ATOM 0 H HIS A 75 15.049 9.335 1.076 1.00 0.00 H new ATOM 0 HA HIS A 75 16.695 11.741 0.661 1.00 0.00 H new ATOM 0 HB2 HIS A 75 14.097 10.816 -0.581 1.00 0.00 H new ATOM 0 HB3 HIS A 75 14.774 12.417 -0.806 1.00 0.00 H new ATOM 0 HD2 HIS A 75 17.190 12.492 -2.294 1.00 0.00 H new ATOM 0 HE1 HIS A 75 16.759 8.605 -3.875 1.00 0.00 H new ATOM 0 HE2 HIS A 75 18.060 10.789 -4.108 1.00 0.00 H new ATOM 1182 N HIS A 76 15.410 11.993 3.022 1.00 0.00 N ATOM 1183 CA HIS A 76 14.767 12.659 4.127 1.00 0.00 C ATOM 1184 C HIS A 76 15.682 13.775 4.575 1.00 0.00 C ATOM 1185 O HIS A 76 16.438 13.578 5.549 1.00 0.00 O ATOM 1186 CB HIS A 76 14.513 11.684 5.312 1.00 0.00 C ATOM 1187 CG HIS A 76 13.686 10.458 4.995 1.00 0.00 C ATOM 1188 ND1 HIS A 76 12.336 10.344 5.244 1.00 0.00 N ATOM 1189 CD2 HIS A 76 14.066 9.262 4.480 1.00 0.00 C ATOM 1190 CE1 HIS A 76 11.947 9.120 4.891 1.00 0.00 C ATOM 1191 NE2 HIS A 76 12.967 8.412 4.417 1.00 0.00 N ATOM 1192 OXT HIS A 76 15.740 14.814 3.901 1.00 0.00 O ATOM 0 H HIS A 76 16.272 11.507 3.270 1.00 0.00 H new ATOM 0 HA HIS A 76 13.797 13.041 3.808 1.00 0.00 H new ATOM 0 HB2 HIS A 76 15.477 11.357 5.701 1.00 0.00 H new ATOM 0 HB3 HIS A 76 14.018 12.236 6.111 1.00 0.00 H new ATOM 0 HD2 HIS A 76 15.068 9.009 4.167 1.00 0.00 H new ATOM 0 HE1 HIS A 76 10.936 8.751 4.978 1.00 0.00 H new ATOM 0 HE2 HIS A 76 12.948 7.450 4.079 1.00 0.00 H new TER 1200 HIS A 76