USER MOD reduce.3.24.130724 H: found=0, std=0, add=700, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 701 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 21 LYS NZ :NH3+ -163:sc= 0.825 (180deg=0.0062) USER MOD Set 1.2: A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 ASN : amide:sc= -0.0356 K(o=-0.036,f=-0.75) USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ -123:sc= 0.777 (180deg=-1.09) USER MOD Single : A 26 LYS NZ :NH3+ 152:sc= 1.97 (180deg=0.94) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot 37:sc= 1.11 USER MOD Single : A 47 MET CE :methyl 172:sc= -1.09 (180deg=-1.47) USER MOD Single : A 53 THR OG1 : rot 79:sc= 1.19 USER MOD Single : A 55 LYS NZ :NH3+ 142:sc= -0.238 (180deg=-1.35) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 60 TYR OH : rot 5:sc= 1.89 USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 TYR OH : rot 130:sc= -0.897 USER MOD Single : A 69 THR OG1 : rot 88:sc= 1.22 USER MOD Single : A 71 ASN : amide:sc= 0 X(o=0,f=-0.33) USER MOD Single : A 76 MET CE :methyl 164:sc= -1.57 (180deg=-1.9) USER MOD Single : A 79 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 81 MET CE :methyl -162:sc= -0.0729 (180deg=-0.0803) USER MOD Single : A 84 GLN : amide:sc= 0 X(o=0,f=-0.43) USER MOD Single : A 86 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 89 THR OG1 : rot 71:sc= 0.607 USER MOD ----------------------------------------------------------------- ATOM 27 N ARG A 3 -10.235 11.446 -0.223 1.00 1.00 N ATOM 28 CA ARG A 3 -10.527 10.158 -0.849 1.00 1.00 C ATOM 29 C ARG A 3 -9.321 9.257 -1.008 1.00 1.00 C ATOM 30 O ARG A 3 -9.447 8.073 -0.724 1.00 1.00 O ATOM 31 CB ARG A 3 -11.187 10.381 -2.215 1.00 1.00 C ATOM 32 CG ARG A 3 -12.675 10.752 -2.123 1.00 1.00 C ATOM 33 CD ARG A 3 -13.293 11.014 -3.502 1.00 1.00 C ATOM 34 NE ARG A 3 -13.447 9.775 -4.286 1.00 1.00 N ATOM 35 CZ ARG A 3 -14.552 9.343 -4.903 1.00 1.00 C ATOM 36 NH1 ARG A 3 -15.671 10.051 -4.911 1.00 1.00 N ATOM 37 NH2 ARG A 3 -14.577 8.181 -5.538 1.00 1.00 N ATOM 0 HA ARG A 3 -11.205 9.641 -0.169 1.00 1.00 H new ATOM 0 HB2 ARG A 3 -10.655 11.173 -2.742 1.00 1.00 H new ATOM 0 HB3 ARG A 3 -11.083 9.475 -2.812 1.00 1.00 H new ATOM 0 HG2 ARG A 3 -13.219 9.946 -1.630 1.00 1.00 H new ATOM 0 HG3 ARG A 3 -12.789 11.640 -1.501 1.00 1.00 H new ATOM 0 HD2 ARG A 3 -14.267 11.487 -3.378 1.00 1.00 H new ATOM 0 HD3 ARG A 3 -12.666 11.715 -4.053 1.00 1.00 H new ATOM 0 HE ARG A 3 -12.621 9.183 -4.367 1.00 1.00 H new ATOM 0 HH11 ARG A 3 -15.707 10.954 -4.437 1.00 1.00 H new ATOM 0 HH12 ARG A 3 -16.497 9.694 -5.391 1.00 1.00 H new ATOM 0 HH21 ARG A 3 -13.742 7.596 -5.563 1.00 1.00 H new ATOM 0 HH22 ARG A 3 -15.431 7.872 -6.002 1.00 1.00 H new ATOM 51 N ALA A 4 -8.182 9.785 -1.457 1.00 1.00 N ATOM 52 CA ALA A 4 -6.981 8.969 -1.635 1.00 1.00 C ATOM 53 C ALA A 4 -6.618 8.281 -0.327 1.00 1.00 C ATOM 54 O ALA A 4 -6.479 7.061 -0.255 1.00 1.00 O ATOM 55 CB ALA A 4 -5.823 9.830 -2.163 1.00 1.00 C ATOM 0 H ALA A 4 -8.066 10.768 -1.703 1.00 1.00 H new ATOM 0 HA ALA A 4 -7.180 8.195 -2.376 1.00 1.00 H new ATOM 0 HB1 ALA A 4 -4.936 9.209 -2.290 1.00 1.00 H new ATOM 0 HB2 ALA A 4 -6.102 10.266 -3.122 1.00 1.00 H new ATOM 0 HB3 ALA A 4 -5.608 10.627 -1.451 1.00 1.00 H new ATOM 61 N ARG A 5 -6.481 9.080 0.726 1.00 1.00 N ATOM 62 CA ARG A 5 -6.108 8.555 2.021 1.00 1.00 C ATOM 63 C ARG A 5 -7.220 7.692 2.570 1.00 1.00 C ATOM 64 O ARG A 5 -6.932 6.630 3.104 1.00 1.00 O ATOM 65 CB ARG A 5 -5.824 9.683 3.000 1.00 1.00 C ATOM 66 CG ARG A 5 -4.835 10.714 2.443 1.00 1.00 C ATOM 67 CD ARG A 5 -4.121 11.396 3.620 1.00 1.00 C ATOM 68 NE ARG A 5 -5.103 11.961 4.561 1.00 1.00 N ATOM 69 CZ ARG A 5 -5.449 11.475 5.761 1.00 1.00 C ATOM 70 NH1 ARG A 5 -4.688 10.620 6.426 1.00 1.00 N ATOM 71 NH2 ARG A 5 -6.598 11.848 6.294 1.00 1.00 N ATOM 0 H ARG A 5 -6.624 10.090 0.702 1.00 1.00 H new ATOM 0 HA ARG A 5 -5.205 7.958 1.896 1.00 1.00 H new ATOM 0 HB2 ARG A 5 -6.759 10.183 3.254 1.00 1.00 H new ATOM 0 HB3 ARG A 5 -5.425 9.265 3.924 1.00 1.00 H new ATOM 0 HG2 ARG A 5 -4.109 10.228 1.791 1.00 1.00 H new ATOM 0 HG3 ARG A 5 -5.360 11.454 1.839 1.00 1.00 H new ATOM 0 HD2 ARG A 5 -3.487 10.675 4.136 1.00 1.00 H new ATOM 0 HD3 ARG A 5 -3.468 12.186 3.249 1.00 1.00 H new ATOM 0 HE ARG A 5 -5.572 12.818 4.267 1.00 1.00 H new ATOM 0 HH11 ARG A 5 -3.803 10.308 6.027 1.00 1.00 H new ATOM 0 HH12 ARG A 5 -4.987 10.273 7.337 1.00 1.00 H new ATOM 0 HH21 ARG A 5 -7.206 12.496 5.793 1.00 1.00 H new ATOM 0 HH22 ARG A 5 -6.878 11.488 7.207 1.00 1.00 H new ATOM 85 N ASP A 6 -8.468 8.147 2.462 1.00 1.00 N ATOM 86 CA ASP A 6 -9.595 7.438 3.045 1.00 1.00 C ATOM 87 C ASP A 6 -9.728 6.051 2.425 1.00 1.00 C ATOM 88 O ASP A 6 -9.985 5.102 3.157 1.00 1.00 O ATOM 89 CB ASP A 6 -10.889 8.253 2.924 1.00 1.00 C ATOM 90 CG ASP A 6 -10.977 9.315 4.019 1.00 1.00 C ATOM 91 OD1 ASP A 6 -10.937 8.967 5.222 1.00 1.00 O ATOM 92 OD2 ASP A 6 -11.031 10.528 3.706 1.00 1.00 O ATOM 0 H ASP A 6 -8.719 9.006 1.974 1.00 1.00 H new ATOM 0 HA ASP A 6 -9.408 7.306 4.111 1.00 1.00 H new ATOM 0 HB2 ASP A 6 -10.931 8.731 1.945 1.00 1.00 H new ATOM 0 HB3 ASP A 6 -11.749 7.587 2.990 1.00 1.00 H new ATOM 97 N ALA A 7 -9.500 5.918 1.117 1.00 1.00 N ATOM 98 CA ALA A 7 -9.495 4.653 0.402 1.00 1.00 C ATOM 99 C ALA A 7 -8.342 3.759 0.863 1.00 1.00 C ATOM 100 O ALA A 7 -8.569 2.593 1.181 1.00 1.00 O ATOM 101 CB ALA A 7 -9.396 4.935 -1.098 1.00 1.00 C ATOM 0 H ALA A 7 -9.308 6.717 0.512 1.00 1.00 H new ATOM 0 HA ALA A 7 -10.421 4.118 0.615 1.00 1.00 H new ATOM 0 HB1 ALA A 7 -9.391 3.993 -1.646 1.00 1.00 H new ATOM 0 HB2 ALA A 7 -10.251 5.534 -1.413 1.00 1.00 H new ATOM 0 HB3 ALA A 7 -8.475 5.480 -1.306 1.00 1.00 H new ATOM 107 N ILE A 8 -7.103 4.270 0.884 1.00 1.00 N ATOM 108 CA ILE A 8 -5.949 3.467 1.305 1.00 1.00 C ATOM 109 C ILE A 8 -6.195 2.988 2.746 1.00 1.00 C ATOM 110 O ILE A 8 -6.037 1.799 3.020 1.00 1.00 O ATOM 111 CB ILE A 8 -4.620 4.236 1.072 1.00 1.00 C ATOM 112 CG1 ILE A 8 -4.441 4.615 -0.423 1.00 1.00 C ATOM 113 CG2 ILE A 8 -3.384 3.460 1.540 1.00 1.00 C ATOM 114 CD1 ILE A 8 -3.529 5.832 -0.617 1.00 1.00 C ATOM 0 H ILE A 8 -6.876 5.228 0.617 1.00 1.00 H new ATOM 0 HA ILE A 8 -5.838 2.572 0.693 1.00 1.00 H new ATOM 0 HB ILE A 8 -4.699 5.139 1.677 1.00 1.00 H new ATOM 0 HG12 ILE A 8 -4.025 3.764 -0.963 1.00 1.00 H new ATOM 0 HG13 ILE A 8 -5.417 4.824 -0.861 1.00 1.00 H new ATOM 0 HG21 ILE A 8 -2.489 4.052 1.349 1.00 1.00 H new ATOM 0 HG22 ILE A 8 -3.464 3.258 2.608 1.00 1.00 H new ATOM 0 HG23 ILE A 8 -3.319 2.518 0.996 1.00 1.00 H new ATOM 0 HD11 ILE A 8 -3.439 6.053 -1.681 1.00 1.00 H new ATOM 0 HD12 ILE A 8 -3.956 6.693 -0.103 1.00 1.00 H new ATOM 0 HD13 ILE A 8 -2.543 5.617 -0.206 1.00 1.00 H new ATOM 126 N LEU A 9 -6.674 3.871 3.628 1.00 1.00 N ATOM 127 CA LEU A 9 -7.045 3.565 5.005 1.00 1.00 C ATOM 128 C LEU A 9 -8.097 2.460 5.053 1.00 1.00 C ATOM 129 O LEU A 9 -7.910 1.489 5.787 1.00 1.00 O ATOM 130 CB LEU A 9 -7.515 4.848 5.714 1.00 1.00 C ATOM 131 CG LEU A 9 -7.700 4.776 7.244 1.00 1.00 C ATOM 132 CD1 LEU A 9 -9.046 4.175 7.670 1.00 1.00 C ATOM 133 CD2 LEU A 9 -6.537 4.088 7.970 1.00 1.00 C ATOM 0 H LEU A 9 -6.818 4.852 3.390 1.00 1.00 H new ATOM 0 HA LEU A 9 -6.172 3.188 5.538 1.00 1.00 H new ATOM 0 HB2 LEU A 9 -6.796 5.638 5.497 1.00 1.00 H new ATOM 0 HB3 LEU A 9 -8.464 5.151 5.272 1.00 1.00 H new ATOM 0 HG LEU A 9 -7.701 5.819 7.560 1.00 1.00 H new ATOM 0 HD11 LEU A 9 -9.108 4.155 8.758 1.00 1.00 H new ATOM 0 HD12 LEU A 9 -9.858 4.783 7.272 1.00 1.00 H new ATOM 0 HD13 LEU A 9 -9.130 3.159 7.283 1.00 1.00 H new ATOM 0 HD21 LEU A 9 -6.735 4.073 9.042 1.00 1.00 H new ATOM 0 HD22 LEU A 9 -6.435 3.066 7.606 1.00 1.00 H new ATOM 0 HD23 LEU A 9 -5.614 4.635 7.779 1.00 1.00 H new ATOM 145 N ASP A 10 -9.173 2.589 4.265 1.00 1.00 N ATOM 146 CA ASP A 10 -10.280 1.627 4.217 1.00 1.00 C ATOM 147 C ASP A 10 -9.695 0.246 3.945 1.00 1.00 C ATOM 148 O ASP A 10 -9.994 -0.717 4.660 1.00 1.00 O ATOM 149 CB ASP A 10 -11.292 1.898 3.080 1.00 1.00 C ATOM 150 CG ASP A 10 -12.292 3.034 3.261 1.00 1.00 C ATOM 151 OD1 ASP A 10 -12.671 3.369 4.407 1.00 1.00 O ATOM 152 OD2 ASP A 10 -12.756 3.577 2.228 1.00 1.00 O ATOM 0 H ASP A 10 -9.300 3.379 3.632 1.00 1.00 H new ATOM 0 HA ASP A 10 -10.803 1.708 5.170 1.00 1.00 H new ATOM 0 HB2 ASP A 10 -10.725 2.095 2.170 1.00 1.00 H new ATOM 0 HB3 ASP A 10 -11.857 0.981 2.911 1.00 1.00 H new ATOM 157 N ALA A 11 -8.857 0.157 2.910 1.00 1.00 N ATOM 158 CA ALA A 11 -8.265 -1.087 2.480 1.00 1.00 C ATOM 159 C ALA A 11 -7.400 -1.697 3.575 1.00 1.00 C ATOM 160 O ALA A 11 -7.579 -2.872 3.884 1.00 1.00 O ATOM 161 CB ALA A 11 -7.475 -0.879 1.187 1.00 1.00 C ATOM 0 H ALA A 11 -8.575 0.961 2.349 1.00 1.00 H new ATOM 0 HA ALA A 11 -9.066 -1.797 2.276 1.00 1.00 H new ATOM 0 HB1 ALA A 11 -7.034 -1.825 0.874 1.00 1.00 H new ATOM 0 HB2 ALA A 11 -8.143 -0.515 0.407 1.00 1.00 H new ATOM 0 HB3 ALA A 11 -6.684 -0.149 1.357 1.00 1.00 H new ATOM 167 N LEU A 12 -6.475 -0.928 4.155 1.00 1.00 N ATOM 168 CA LEU A 12 -5.528 -1.441 5.146 1.00 1.00 C ATOM 169 C LEU A 12 -6.280 -1.983 6.355 1.00 1.00 C ATOM 170 O LEU A 12 -5.961 -3.055 6.851 1.00 1.00 O ATOM 171 CB LEU A 12 -4.600 -0.363 5.662 1.00 1.00 C ATOM 172 CG LEU A 12 -3.508 0.097 4.689 1.00 1.00 C ATOM 173 CD1 LEU A 12 -3.528 -0.435 3.238 1.00 1.00 C ATOM 174 CD2 LEU A 12 -3.491 1.619 4.712 1.00 1.00 C ATOM 0 H LEU A 12 -6.362 0.065 3.951 1.00 1.00 H new ATOM 0 HA LEU A 12 -4.950 -2.217 4.644 1.00 1.00 H new ATOM 0 HB2 LEU A 12 -5.200 0.503 5.942 1.00 1.00 H new ATOM 0 HB3 LEU A 12 -4.121 -0.726 6.571 1.00 1.00 H new ATOM 0 HG LEU A 12 -2.591 -0.360 5.060 1.00 1.00 H new ATOM 0 HD11 LEU A 12 -2.689 -0.013 2.684 1.00 1.00 H new ATOM 0 HD12 LEU A 12 -3.446 -1.522 3.248 1.00 1.00 H new ATOM 0 HD13 LEU A 12 -4.463 -0.146 2.757 1.00 1.00 H new ATOM 0 HD21 LEU A 12 -2.724 1.985 4.030 1.00 1.00 H new ATOM 0 HD22 LEU A 12 -4.464 1.998 4.401 1.00 1.00 H new ATOM 0 HD23 LEU A 12 -3.273 1.965 5.722 1.00 1.00 H new ATOM 186 N GLU A 13 -7.263 -1.224 6.839 1.00 1.00 N ATOM 187 CA GLU A 13 -8.126 -1.613 7.942 1.00 1.00 C ATOM 188 C GLU A 13 -8.848 -2.917 7.612 1.00 1.00 C ATOM 189 O GLU A 13 -8.987 -3.778 8.485 1.00 1.00 O ATOM 190 CB GLU A 13 -9.117 -0.487 8.281 1.00 1.00 C ATOM 191 CG GLU A 13 -8.479 0.720 8.986 1.00 1.00 C ATOM 192 CD GLU A 13 -8.007 0.457 10.418 1.00 1.00 C ATOM 193 OE1 GLU A 13 -8.080 -0.688 10.921 1.00 1.00 O ATOM 194 OE2 GLU A 13 -7.547 1.411 11.081 1.00 1.00 O ATOM 0 H GLU A 13 -7.482 -0.302 6.463 1.00 1.00 H new ATOM 0 HA GLU A 13 -7.512 -1.784 8.826 1.00 1.00 H new ATOM 0 HB2 GLU A 13 -9.592 -0.147 7.361 1.00 1.00 H new ATOM 0 HB3 GLU A 13 -9.905 -0.891 8.917 1.00 1.00 H new ATOM 0 HG2 GLU A 13 -7.628 1.059 8.395 1.00 1.00 H new ATOM 0 HG3 GLU A 13 -9.201 1.536 9.002 1.00 1.00 H new ATOM 201 N ASN A 14 -9.365 -3.056 6.384 1.00 1.00 N ATOM 202 CA ASN A 14 -9.993 -4.277 5.912 1.00 1.00 C ATOM 203 C ASN A 14 -9.015 -5.446 5.777 1.00 1.00 C ATOM 204 O ASN A 14 -9.478 -6.587 5.702 1.00 1.00 O ATOM 205 CB ASN A 14 -10.747 -4.025 4.595 1.00 1.00 C ATOM 206 CG ASN A 14 -12.123 -3.406 4.813 1.00 1.00 C ATOM 207 OD1 ASN A 14 -12.847 -3.777 5.737 1.00 1.00 O ATOM 208 ND2 ASN A 14 -12.547 -2.478 3.978 1.00 1.00 N ATOM 0 H ASN A 14 -9.354 -2.309 5.689 1.00 1.00 H new ATOM 0 HA ASN A 14 -10.711 -4.574 6.676 1.00 1.00 H new ATOM 0 HB2 ASN A 14 -10.153 -3.366 3.962 1.00 1.00 H new ATOM 0 HB3 ASN A 14 -10.858 -4.967 4.059 1.00 1.00 H new ATOM 0 HD21 ASN A 14 -13.473 -2.069 4.098 1.00 1.00 H new ATOM 0 HD22 ASN A 14 -11.949 -2.169 3.212 1.00 1.00 H new ATOM 215 N LEU A 15 -7.694 -5.245 5.797 1.00 1.00 N ATOM 216 CA LEU A 15 -6.735 -6.338 5.783 1.00 1.00 C ATOM 217 C LEU A 15 -6.578 -6.826 7.227 1.00 1.00 C ATOM 218 O LEU A 15 -7.098 -6.230 8.172 1.00 1.00 O ATOM 219 CB LEU A 15 -5.382 -5.852 5.226 1.00 1.00 C ATOM 220 CG LEU A 15 -5.329 -5.475 3.733 1.00 1.00 C ATOM 221 CD1 LEU A 15 -3.896 -5.124 3.315 1.00 1.00 C ATOM 222 CD2 LEU A 15 -5.846 -6.590 2.824 1.00 1.00 C ATOM 0 H LEU A 15 -7.266 -4.319 5.823 1.00 1.00 H new ATOM 0 HA LEU A 15 -7.082 -7.149 5.143 1.00 1.00 H new ATOM 0 HB2 LEU A 15 -5.071 -4.982 5.805 1.00 1.00 H new ATOM 0 HB3 LEU A 15 -4.643 -6.634 5.403 1.00 1.00 H new ATOM 0 HG LEU A 15 -5.981 -4.610 3.615 1.00 1.00 H new ATOM 0 HD11 LEU A 15 -3.880 -4.861 2.257 1.00 1.00 H new ATOM 0 HD12 LEU A 15 -3.542 -4.279 3.905 1.00 1.00 H new ATOM 0 HD13 LEU A 15 -3.247 -5.983 3.485 1.00 1.00 H new ATOM 0 HD21 LEU A 15 -5.785 -6.269 1.784 1.00 1.00 H new ATOM 0 HD22 LEU A 15 -5.239 -7.484 2.964 1.00 1.00 H new ATOM 0 HD23 LEU A 15 -6.883 -6.813 3.075 1.00 1.00 H new ATOM 234 N THR A 16 -5.899 -7.953 7.402 1.00 1.00 N ATOM 235 CA THR A 16 -5.613 -8.538 8.705 1.00 1.00 C ATOM 236 C THR A 16 -4.105 -8.544 8.924 1.00 1.00 C ATOM 237 O THR A 16 -3.361 -8.272 7.986 1.00 1.00 O ATOM 238 CB THR A 16 -6.250 -9.938 8.780 1.00 1.00 C ATOM 239 OG1 THR A 16 -5.828 -10.769 7.712 1.00 1.00 O ATOM 240 CG2 THR A 16 -7.777 -9.868 8.800 1.00 1.00 C ATOM 0 H THR A 16 -5.524 -8.497 6.625 1.00 1.00 H new ATOM 0 HA THR A 16 -6.049 -7.950 9.512 1.00 1.00 H new ATOM 0 HB THR A 16 -5.908 -10.376 9.718 1.00 1.00 H new ATOM 0 HG1 THR A 16 -6.252 -11.649 7.795 1.00 1.00 H new ATOM 0 HG21 THR A 16 -8.187 -10.877 8.853 1.00 1.00 H new ATOM 0 HG22 THR A 16 -8.104 -9.297 9.669 1.00 1.00 H new ATOM 0 HG23 THR A 16 -8.131 -9.380 7.892 1.00 1.00 H new ATOM 248 N ALA A 17 -3.620 -8.875 10.122 1.00 1.00 N ATOM 249 CA ALA A 17 -2.194 -8.819 10.438 1.00 1.00 C ATOM 250 C ALA A 17 -1.349 -9.700 9.503 1.00 1.00 C ATOM 251 O ALA A 17 -0.190 -9.380 9.226 1.00 1.00 O ATOM 252 CB ALA A 17 -1.980 -9.224 11.897 1.00 1.00 C ATOM 0 H ALA A 17 -4.204 -9.188 10.898 1.00 1.00 H new ATOM 0 HA ALA A 17 -1.859 -7.793 10.286 1.00 1.00 H new ATOM 0 HB1 ALA A 17 -0.917 -9.183 12.134 1.00 1.00 H new ATOM 0 HB2 ALA A 17 -2.524 -8.540 12.548 1.00 1.00 H new ATOM 0 HB3 ALA A 17 -2.347 -10.239 12.050 1.00 1.00 H new ATOM 258 N GLU A 18 -1.903 -10.811 9.009 1.00 1.00 N ATOM 259 CA GLU A 18 -1.222 -11.688 8.063 1.00 1.00 C ATOM 260 C GLU A 18 -1.183 -11.065 6.671 1.00 1.00 C ATOM 261 O GLU A 18 -0.160 -11.098 5.989 1.00 1.00 O ATOM 262 CB GLU A 18 -1.953 -13.036 8.025 1.00 1.00 C ATOM 263 CG GLU A 18 -1.149 -14.162 7.372 1.00 1.00 C ATOM 264 CD GLU A 18 -0.132 -14.759 8.345 1.00 1.00 C ATOM 265 OE1 GLU A 18 0.612 -13.990 8.995 1.00 1.00 O ATOM 266 OE2 GLU A 18 -0.025 -16.006 8.395 1.00 1.00 O ATOM 0 H GLU A 18 -2.841 -11.125 9.258 1.00 1.00 H new ATOM 0 HA GLU A 18 -0.192 -11.835 8.387 1.00 1.00 H new ATOM 0 HB2 GLU A 18 -2.207 -13.329 9.044 1.00 1.00 H new ATOM 0 HB3 GLU A 18 -2.892 -12.913 7.485 1.00 1.00 H new ATOM 0 HG2 GLU A 18 -1.827 -14.943 7.028 1.00 1.00 H new ATOM 0 HG3 GLU A 18 -0.632 -13.779 6.492 1.00 1.00 H new ATOM 273 N GLU A 19 -2.289 -10.467 6.245 1.00 1.00 N ATOM 274 CA GLU A 19 -2.363 -9.802 4.957 1.00 1.00 C ATOM 275 C GLU A 19 -1.461 -8.570 4.977 1.00 1.00 C ATOM 276 O GLU A 19 -0.716 -8.337 4.033 1.00 1.00 O ATOM 277 CB GLU A 19 -3.811 -9.418 4.668 1.00 1.00 C ATOM 278 CG GLU A 19 -4.731 -10.629 4.478 1.00 1.00 C ATOM 279 CD GLU A 19 -4.517 -11.268 3.109 1.00 1.00 C ATOM 280 OE1 GLU A 19 -3.585 -12.094 2.973 1.00 1.00 O ATOM 281 OE2 GLU A 19 -5.275 -10.915 2.177 1.00 1.00 O ATOM 0 H GLU A 19 -3.155 -10.431 6.783 1.00 1.00 H new ATOM 0 HA GLU A 19 -2.021 -10.470 4.166 1.00 1.00 H new ATOM 0 HB2 GLU A 19 -4.189 -8.808 5.489 1.00 1.00 H new ATOM 0 HB3 GLU A 19 -3.844 -8.801 3.770 1.00 1.00 H new ATOM 0 HG2 GLU A 19 -4.538 -11.363 5.260 1.00 1.00 H new ATOM 0 HG3 GLU A 19 -5.771 -10.320 4.581 1.00 1.00 H new ATOM 288 N LEU A 20 -1.467 -7.807 6.070 1.00 1.00 N ATOM 289 CA LEU A 20 -0.586 -6.670 6.266 1.00 1.00 C ATOM 290 C LEU A 20 0.860 -7.146 6.292 1.00 1.00 C ATOM 291 O LEU A 20 1.700 -6.460 5.725 1.00 1.00 O ATOM 292 CB LEU A 20 -0.965 -5.853 7.516 1.00 1.00 C ATOM 293 CG LEU A 20 -2.255 -5.020 7.342 1.00 1.00 C ATOM 294 CD1 LEU A 20 -2.643 -4.331 8.649 1.00 1.00 C ATOM 295 CD2 LEU A 20 -2.096 -3.909 6.289 1.00 1.00 C ATOM 0 H LEU A 20 -2.098 -7.970 6.855 1.00 1.00 H new ATOM 0 HA LEU A 20 -0.703 -5.985 5.426 1.00 1.00 H new ATOM 0 HB2 LEU A 20 -1.092 -6.532 8.359 1.00 1.00 H new ATOM 0 HB3 LEU A 20 -0.141 -5.184 7.766 1.00 1.00 H new ATOM 0 HG LEU A 20 -3.020 -5.729 7.025 1.00 1.00 H new ATOM 0 HD11 LEU A 20 -3.554 -3.752 8.498 1.00 1.00 H new ATOM 0 HD12 LEU A 20 -2.814 -5.083 9.420 1.00 1.00 H new ATOM 0 HD13 LEU A 20 -1.838 -3.666 8.963 1.00 1.00 H new ATOM 0 HD21 LEU A 20 -3.029 -3.352 6.204 1.00 1.00 H new ATOM 0 HD22 LEU A 20 -1.296 -3.233 6.591 1.00 1.00 H new ATOM 0 HD23 LEU A 20 -1.850 -4.354 5.325 1.00 1.00 H new ATOM 307 N LYS A 21 1.192 -8.316 6.854 1.00 1.00 N ATOM 308 CA LYS A 21 2.556 -8.838 6.784 1.00 1.00 C ATOM 309 C LYS A 21 2.965 -8.979 5.324 1.00 1.00 C ATOM 310 O LYS A 21 4.031 -8.503 4.920 1.00 1.00 O ATOM 311 CB LYS A 21 2.606 -10.221 7.430 1.00 1.00 C ATOM 312 CG LYS A 21 4.051 -10.724 7.564 1.00 1.00 C ATOM 313 CD LYS A 21 4.181 -12.044 8.332 1.00 1.00 C ATOM 314 CE LYS A 21 3.973 -13.316 7.499 1.00 1.00 C ATOM 315 NZ LYS A 21 2.569 -13.514 7.102 1.00 1.00 N ATOM 0 H LYS A 21 0.537 -8.913 7.358 1.00 1.00 H new ATOM 0 HA LYS A 21 3.228 -8.155 7.304 1.00 1.00 H new ATOM 0 HB2 LYS A 21 2.140 -10.182 8.415 1.00 1.00 H new ATOM 0 HB3 LYS A 21 2.028 -10.925 6.832 1.00 1.00 H new ATOM 0 HG2 LYS A 21 4.475 -10.851 6.568 1.00 1.00 H new ATOM 0 HG3 LYS A 21 4.645 -9.962 8.068 1.00 1.00 H new ATOM 0 HD2 LYS A 21 5.172 -12.085 8.784 1.00 1.00 H new ATOM 0 HD3 LYS A 21 3.458 -12.042 9.148 1.00 1.00 H new ATOM 0 HE2 LYS A 21 4.595 -13.265 6.605 1.00 1.00 H new ATOM 0 HE3 LYS A 21 4.309 -14.180 8.073 1.00 1.00 H new ATOM 0 HZ1 LYS A 21 2.429 -14.500 6.803 1.00 1.00 H new ATOM 0 HZ2 LYS A 21 1.947 -13.305 7.909 1.00 1.00 H new ATOM 0 HZ3 LYS A 21 2.338 -12.877 6.313 1.00 1.00 H new ATOM 329 N LYS A 22 2.125 -9.676 4.552 1.00 1.00 N ATOM 330 CA LYS A 22 2.364 -9.928 3.149 1.00 1.00 C ATOM 331 C LYS A 22 2.462 -8.596 2.411 1.00 1.00 C ATOM 332 O LYS A 22 3.381 -8.447 1.618 1.00 1.00 O ATOM 333 CB LYS A 22 1.269 -10.849 2.586 1.00 1.00 C ATOM 334 CG LYS A 22 1.329 -12.313 3.049 1.00 1.00 C ATOM 335 CD LYS A 22 2.658 -12.974 2.659 1.00 1.00 C ATOM 336 CE LYS A 22 2.525 -14.461 2.319 1.00 1.00 C ATOM 337 NZ LYS A 22 2.122 -15.279 3.477 1.00 1.00 N ATOM 0 H LYS A 22 1.255 -10.080 4.898 1.00 1.00 H new ATOM 0 HA LYS A 22 3.311 -10.450 3.008 1.00 1.00 H new ATOM 0 HB2 LYS A 22 0.297 -10.439 2.862 1.00 1.00 H new ATOM 0 HB3 LYS A 22 1.326 -10.828 1.498 1.00 1.00 H new ATOM 0 HG2 LYS A 22 1.203 -12.359 4.131 1.00 1.00 H new ATOM 0 HG3 LYS A 22 0.502 -12.869 2.608 1.00 1.00 H new ATOM 0 HD2 LYS A 22 3.077 -12.449 1.800 1.00 1.00 H new ATOM 0 HD3 LYS A 22 3.366 -12.859 3.480 1.00 1.00 H new ATOM 0 HE2 LYS A 22 1.792 -14.582 1.522 1.00 1.00 H new ATOM 0 HE3 LYS A 22 3.477 -14.828 1.935 1.00 1.00 H new ATOM 0 HZ1 LYS A 22 2.048 -16.276 3.189 1.00 1.00 H new ATOM 0 HZ2 LYS A 22 2.833 -15.188 4.230 1.00 1.00 H new ATOM 0 HZ3 LYS A 22 1.200 -14.951 3.830 1.00 1.00 H new ATOM 351 N PHE A 23 1.592 -7.620 2.684 1.00 1.00 N ATOM 352 CA PHE A 23 1.608 -6.302 2.058 1.00 1.00 C ATOM 353 C PHE A 23 2.926 -5.609 2.354 1.00 1.00 C ATOM 354 O PHE A 23 3.618 -5.190 1.438 1.00 1.00 O ATOM 355 CB PHE A 23 0.434 -5.451 2.561 1.00 1.00 C ATOM 356 CG PHE A 23 0.272 -4.078 1.914 1.00 1.00 C ATOM 357 CD1 PHE A 23 0.328 -3.915 0.512 1.00 1.00 C ATOM 358 CD2 PHE A 23 0.030 -2.951 2.726 1.00 1.00 C ATOM 359 CE1 PHE A 23 0.133 -2.646 -0.067 1.00 1.00 C ATOM 360 CE2 PHE A 23 -0.183 -1.689 2.143 1.00 1.00 C ATOM 361 CZ PHE A 23 -0.123 -1.534 0.750 1.00 1.00 C ATOM 0 H PHE A 23 0.840 -7.731 3.364 1.00 1.00 H new ATOM 0 HA PHE A 23 1.504 -6.424 0.980 1.00 1.00 H new ATOM 0 HB2 PHE A 23 -0.487 -6.013 2.408 1.00 1.00 H new ATOM 0 HB3 PHE A 23 0.547 -5.312 3.636 1.00 1.00 H new ATOM 0 HD1 PHE A 23 0.522 -4.769 -0.120 1.00 1.00 H new ATOM 0 HD2 PHE A 23 0.008 -3.057 3.801 1.00 1.00 H new ATOM 0 HE1 PHE A 23 0.180 -2.529 -1.140 1.00 1.00 H new ATOM 0 HE2 PHE A 23 -0.394 -0.836 2.770 1.00 1.00 H new ATOM 0 HZ PHE A 23 -0.274 -0.561 0.307 1.00 1.00 H new ATOM 371 N LYS A 24 3.298 -5.509 3.629 1.00 1.00 N ATOM 372 CA LYS A 24 4.522 -4.882 4.099 1.00 1.00 C ATOM 373 C LYS A 24 5.758 -5.498 3.447 1.00 1.00 C ATOM 374 O LYS A 24 6.721 -4.781 3.189 1.00 1.00 O ATOM 375 CB LYS A 24 4.532 -4.942 5.628 1.00 1.00 C ATOM 376 CG LYS A 24 3.469 -4.012 6.251 1.00 1.00 C ATOM 377 CD LYS A 24 3.395 -4.225 7.764 1.00 1.00 C ATOM 378 CE LYS A 24 2.457 -3.207 8.409 1.00 1.00 C ATOM 379 NZ LYS A 24 2.577 -3.239 9.876 1.00 1.00 N ATOM 0 H LYS A 24 2.728 -5.879 4.390 1.00 1.00 H new ATOM 0 HA LYS A 24 4.554 -3.834 3.801 1.00 1.00 H new ATOM 0 HB2 LYS A 24 4.351 -5.967 5.952 1.00 1.00 H new ATOM 0 HB3 LYS A 24 5.519 -4.661 5.995 1.00 1.00 H new ATOM 0 HG2 LYS A 24 3.715 -2.972 6.035 1.00 1.00 H new ATOM 0 HG3 LYS A 24 2.496 -4.209 5.802 1.00 1.00 H new ATOM 0 HD2 LYS A 24 3.045 -5.235 7.977 1.00 1.00 H new ATOM 0 HD3 LYS A 24 4.391 -4.135 8.198 1.00 1.00 H new ATOM 0 HE2 LYS A 24 2.691 -2.207 8.043 1.00 1.00 H new ATOM 0 HE3 LYS A 24 1.428 -3.420 8.119 1.00 1.00 H new ATOM 0 HZ1 LYS A 24 1.645 -3.430 10.296 1.00 1.00 H new ATOM 0 HZ2 LYS A 24 3.242 -3.988 10.154 1.00 1.00 H new ATOM 0 HZ3 LYS A 24 2.928 -2.321 10.216 1.00 1.00 H new ATOM 393 N LEU A 25 5.765 -6.807 3.187 1.00 1.00 N ATOM 394 CA LEU A 25 6.854 -7.450 2.462 1.00 1.00 C ATOM 395 C LEU A 25 6.743 -7.107 0.986 1.00 1.00 C ATOM 396 O LEU A 25 7.714 -6.624 0.421 1.00 1.00 O ATOM 397 CB LEU A 25 6.821 -8.977 2.662 1.00 1.00 C ATOM 398 CG LEU A 25 7.453 -9.383 4.000 1.00 1.00 C ATOM 399 CD1 LEU A 25 6.980 -10.763 4.451 1.00 1.00 C ATOM 400 CD2 LEU A 25 8.985 -9.381 3.902 1.00 1.00 C ATOM 0 H LEU A 25 5.021 -7.444 3.472 1.00 1.00 H new ATOM 0 HA LEU A 25 7.804 -7.084 2.851 1.00 1.00 H new ATOM 0 HB2 LEU A 25 5.790 -9.328 2.624 1.00 1.00 H new ATOM 0 HB3 LEU A 25 7.353 -9.464 1.845 1.00 1.00 H new ATOM 0 HG LEU A 25 7.134 -8.647 4.739 1.00 1.00 H new ATOM 0 HD11 LEU A 25 7.449 -11.016 5.402 1.00 1.00 H new ATOM 0 HD12 LEU A 25 5.897 -10.755 4.572 1.00 1.00 H new ATOM 0 HD13 LEU A 25 7.256 -11.505 3.702 1.00 1.00 H new ATOM 0 HD21 LEU A 25 9.411 -9.672 4.862 1.00 1.00 H new ATOM 0 HD22 LEU A 25 9.301 -10.088 3.135 1.00 1.00 H new ATOM 0 HD23 LEU A 25 9.331 -8.382 3.639 1.00 1.00 H new ATOM 412 N LYS A 26 5.587 -7.327 0.356 1.00 1.00 N ATOM 413 CA LYS A 26 5.335 -7.052 -1.056 1.00 1.00 C ATOM 414 C LYS A 26 5.730 -5.631 -1.431 1.00 1.00 C ATOM 415 O LYS A 26 6.450 -5.466 -2.413 1.00 1.00 O ATOM 416 CB LYS A 26 3.881 -7.398 -1.412 1.00 1.00 C ATOM 417 CG LYS A 26 3.755 -8.918 -1.652 1.00 1.00 C ATOM 418 CD LYS A 26 3.855 -9.192 -3.156 1.00 1.00 C ATOM 419 CE LYS A 26 3.950 -10.682 -3.488 1.00 1.00 C ATOM 420 NZ LYS A 26 3.995 -10.883 -4.949 1.00 1.00 N ATOM 0 H LYS A 26 4.774 -7.715 0.834 1.00 1.00 H new ATOM 0 HA LYS A 26 5.972 -7.697 -1.662 1.00 1.00 H new ATOM 0 HB2 LYS A 26 3.215 -7.090 -0.606 1.00 1.00 H new ATOM 0 HB3 LYS A 26 3.574 -6.852 -2.304 1.00 1.00 H new ATOM 0 HG2 LYS A 26 4.542 -9.451 -1.119 1.00 1.00 H new ATOM 0 HG3 LYS A 26 2.804 -9.283 -1.265 1.00 1.00 H new ATOM 0 HD2 LYS A 26 2.983 -8.769 -3.655 1.00 1.00 H new ATOM 0 HD3 LYS A 26 4.731 -8.680 -3.555 1.00 1.00 H new ATOM 0 HE2 LYS A 26 4.842 -11.107 -3.029 1.00 1.00 H new ATOM 0 HE3 LYS A 26 3.093 -11.210 -3.068 1.00 1.00 H new ATOM 0 HZ1 LYS A 26 4.512 -11.759 -5.163 1.00 1.00 H new ATOM 0 HZ2 LYS A 26 3.026 -10.954 -5.320 1.00 1.00 H new ATOM 0 HZ3 LYS A 26 4.478 -10.078 -5.395 1.00 1.00 H new ATOM 434 N LEU A 27 5.362 -4.640 -0.613 1.00 1.00 N ATOM 435 CA LEU A 27 5.717 -3.227 -0.728 1.00 1.00 C ATOM 436 C LEU A 27 7.207 -3.017 -0.945 1.00 1.00 C ATOM 437 O LEU A 27 7.577 -2.025 -1.578 1.00 1.00 O ATOM 438 CB LEU A 27 5.301 -2.460 0.550 1.00 1.00 C ATOM 439 CG LEU A 27 3.820 -2.046 0.627 1.00 1.00 C ATOM 440 CD1 LEU A 27 3.410 -1.656 2.046 1.00 1.00 C ATOM 441 CD2 LEU A 27 3.579 -0.819 -0.253 1.00 1.00 C ATOM 0 H LEU A 27 4.770 -4.818 0.198 1.00 1.00 H new ATOM 0 HA LEU A 27 5.182 -2.847 -1.598 1.00 1.00 H new ATOM 0 HB2 LEU A 27 5.531 -3.081 1.416 1.00 1.00 H new ATOM 0 HB3 LEU A 27 5.915 -1.563 0.629 1.00 1.00 H new ATOM 0 HG LEU A 27 3.236 -2.905 0.297 1.00 1.00 H new ATOM 0 HD11 LEU A 27 2.358 -1.371 2.055 1.00 1.00 H new ATOM 0 HD12 LEU A 27 3.562 -2.503 2.715 1.00 1.00 H new ATOM 0 HD13 LEU A 27 4.017 -0.815 2.382 1.00 1.00 H new ATOM 0 HD21 LEU A 27 2.530 -0.530 -0.195 1.00 1.00 H new ATOM 0 HD22 LEU A 27 4.202 0.005 0.094 1.00 1.00 H new ATOM 0 HD23 LEU A 27 3.833 -1.056 -1.286 1.00 1.00 H new ATOM 453 N LEU A 28 8.050 -3.918 -0.439 1.00 1.00 N ATOM 454 CA LEU A 28 9.502 -3.817 -0.467 1.00 1.00 C ATOM 455 C LEU A 28 10.135 -5.125 -0.973 1.00 1.00 C ATOM 456 O LEU A 28 11.274 -5.459 -0.651 1.00 1.00 O ATOM 457 CB LEU A 28 9.956 -3.400 0.940 1.00 1.00 C ATOM 458 CG LEU A 28 11.356 -2.740 1.019 1.00 1.00 C ATOM 459 CD1 LEU A 28 12.335 -3.529 1.891 1.00 1.00 C ATOM 460 CD2 LEU A 28 12.017 -2.325 -0.306 1.00 1.00 C ATOM 0 H LEU A 28 7.723 -4.769 0.018 1.00 1.00 H new ATOM 0 HA LEU A 28 9.841 -3.061 -1.175 1.00 1.00 H new ATOM 0 HB2 LEU A 28 9.222 -2.706 1.349 1.00 1.00 H new ATOM 0 HB3 LEU A 28 9.952 -4.282 1.581 1.00 1.00 H new ATOM 0 HG LEU A 28 11.121 -1.792 1.503 1.00 1.00 H new ATOM 0 HD11 LEU A 28 13.298 -3.019 1.909 1.00 1.00 H new ATOM 0 HD12 LEU A 28 11.943 -3.600 2.906 1.00 1.00 H new ATOM 0 HD13 LEU A 28 12.462 -4.531 1.480 1.00 1.00 H new ATOM 0 HD21 LEU A 28 12.990 -1.878 -0.103 1.00 1.00 H new ATOM 0 HD22 LEU A 28 12.146 -3.203 -0.939 1.00 1.00 H new ATOM 0 HD23 LEU A 28 11.384 -1.600 -0.817 1.00 1.00 H new ATOM 472 N SER A 29 9.377 -5.890 -1.751 1.00 1.00 N ATOM 473 CA SER A 29 9.782 -7.105 -2.434 1.00 1.00 C ATOM 474 C SER A 29 9.909 -6.684 -3.886 1.00 1.00 C ATOM 475 O SER A 29 10.978 -6.797 -4.490 1.00 1.00 O ATOM 476 CB SER A 29 8.693 -8.168 -2.251 1.00 1.00 C ATOM 477 OG SER A 29 8.867 -9.306 -3.071 1.00 1.00 O ATOM 0 H SER A 29 8.400 -5.659 -1.931 1.00 1.00 H new ATOM 0 HA SER A 29 10.710 -7.536 -2.058 1.00 1.00 H new ATOM 0 HB2 SER A 29 8.676 -8.482 -1.207 1.00 1.00 H new ATOM 0 HB3 SER A 29 7.722 -7.722 -2.465 1.00 1.00 H new ATOM 0 HG SER A 29 8.142 -9.944 -2.904 1.00 1.00 H new ATOM 483 N VAL A 30 8.806 -6.178 -4.438 1.00 1.00 N ATOM 484 CA VAL A 30 8.747 -5.626 -5.768 1.00 1.00 C ATOM 485 C VAL A 30 9.653 -4.382 -5.792 1.00 1.00 C ATOM 486 O VAL A 30 9.655 -3.608 -4.823 1.00 1.00 O ATOM 487 CB VAL A 30 7.259 -5.355 -6.086 1.00 1.00 C ATOM 488 CG1 VAL A 30 6.667 -4.142 -5.358 1.00 1.00 C ATOM 489 CG2 VAL A 30 7.006 -5.215 -7.584 1.00 1.00 C ATOM 0 H VAL A 30 7.911 -6.146 -3.949 1.00 1.00 H new ATOM 0 HA VAL A 30 9.117 -6.293 -6.547 1.00 1.00 H new ATOM 0 HB VAL A 30 6.745 -6.239 -5.709 1.00 1.00 H new ATOM 0 HG11 VAL A 30 5.620 -4.025 -5.638 1.00 1.00 H new ATOM 0 HG12 VAL A 30 6.739 -4.293 -4.281 1.00 1.00 H new ATOM 0 HG13 VAL A 30 7.220 -3.245 -5.637 1.00 1.00 H new ATOM 0 HG21 VAL A 30 5.947 -5.026 -7.758 1.00 1.00 H new ATOM 0 HG22 VAL A 30 7.592 -4.384 -7.976 1.00 1.00 H new ATOM 0 HG23 VAL A 30 7.298 -6.135 -8.090 1.00 1.00 H new ATOM 499 N PRO A 31 10.510 -4.204 -6.807 1.00 1.00 N ATOM 500 CA PRO A 31 11.298 -2.987 -6.930 1.00 1.00 C ATOM 501 C PRO A 31 10.350 -1.873 -7.404 1.00 1.00 C ATOM 502 O PRO A 31 9.190 -2.114 -7.762 1.00 1.00 O ATOM 503 CB PRO A 31 12.388 -3.324 -7.951 1.00 1.00 C ATOM 504 CG PRO A 31 11.727 -4.373 -8.846 1.00 1.00 C ATOM 505 CD PRO A 31 10.787 -5.120 -7.902 1.00 1.00 C ATOM 0 HA PRO A 31 11.761 -2.642 -6.005 1.00 1.00 H new ATOM 0 HB2 PRO A 31 12.691 -2.445 -8.520 1.00 1.00 H new ATOM 0 HB3 PRO A 31 13.283 -3.715 -7.468 1.00 1.00 H new ATOM 0 HG2 PRO A 31 11.182 -3.910 -9.669 1.00 1.00 H new ATOM 0 HG3 PRO A 31 12.464 -5.043 -9.288 1.00 1.00 H new ATOM 0 HD2 PRO A 31 9.868 -5.407 -8.413 1.00 1.00 H new ATOM 0 HD3 PRO A 31 11.249 -6.037 -7.536 1.00 1.00 H new ATOM 513 N LEU A 32 10.832 -0.633 -7.434 1.00 1.00 N ATOM 514 CA LEU A 32 9.996 0.519 -7.768 1.00 1.00 C ATOM 515 C LEU A 32 10.745 1.382 -8.783 1.00 1.00 C ATOM 516 O LEU A 32 11.927 1.129 -9.031 1.00 1.00 O ATOM 517 CB LEU A 32 9.700 1.260 -6.455 1.00 1.00 C ATOM 518 CG LEU A 32 8.450 2.149 -6.520 1.00 1.00 C ATOM 519 CD1 LEU A 32 7.206 1.252 -6.467 1.00 1.00 C ATOM 520 CD2 LEU A 32 8.418 3.094 -5.327 1.00 1.00 C ATOM 0 H LEU A 32 11.803 -0.399 -7.230 1.00 1.00 H new ATOM 0 HA LEU A 32 9.048 0.236 -8.225 1.00 1.00 H new ATOM 0 HB2 LEU A 32 9.575 0.530 -5.655 1.00 1.00 H new ATOM 0 HB3 LEU A 32 10.560 1.876 -6.193 1.00 1.00 H new ATOM 0 HG LEU A 32 8.469 2.730 -7.442 1.00 1.00 H new ATOM 0 HD11 LEU A 32 6.309 1.870 -6.512 1.00 1.00 H new ATOM 0 HD12 LEU A 32 7.216 0.565 -7.313 1.00 1.00 H new ATOM 0 HD13 LEU A 32 7.207 0.683 -5.538 1.00 1.00 H new ATOM 0 HD21 LEU A 32 7.528 3.720 -5.383 1.00 1.00 H new ATOM 0 HD22 LEU A 32 8.397 2.514 -4.404 1.00 1.00 H new ATOM 0 HD23 LEU A 32 9.307 3.725 -5.339 1.00 1.00 H new ATOM 532 N ARG A 33 10.095 2.360 -9.417 1.00 1.00 N ATOM 533 CA ARG A 33 10.800 3.274 -10.319 1.00 1.00 C ATOM 534 C ARG A 33 11.622 4.263 -9.506 1.00 1.00 C ATOM 535 O ARG A 33 11.467 4.358 -8.283 1.00 1.00 O ATOM 536 CB ARG A 33 9.815 3.954 -11.278 1.00 1.00 C ATOM 537 CG ARG A 33 9.328 2.899 -12.276 1.00 1.00 C ATOM 538 CD ARG A 33 8.199 3.410 -13.164 1.00 1.00 C ATOM 539 NE ARG A 33 7.704 2.307 -13.992 1.00 1.00 N ATOM 540 CZ ARG A 33 8.313 1.789 -15.061 1.00 1.00 C ATOM 541 NH1 ARG A 33 9.358 2.398 -15.617 1.00 1.00 N ATOM 542 NH2 ARG A 33 7.871 0.646 -15.568 1.00 1.00 N ATOM 0 H ARG A 33 9.095 2.539 -9.325 1.00 1.00 H new ATOM 0 HA ARG A 33 11.495 2.714 -10.945 1.00 1.00 H new ATOM 0 HB2 ARG A 33 8.974 4.375 -10.727 1.00 1.00 H new ATOM 0 HB3 ARG A 33 10.299 4.779 -11.800 1.00 1.00 H new ATOM 0 HG2 ARG A 33 10.163 2.583 -12.902 1.00 1.00 H new ATOM 0 HG3 ARG A 33 8.987 2.019 -11.731 1.00 1.00 H new ATOM 0 HD2 ARG A 33 7.392 3.812 -12.552 1.00 1.00 H new ATOM 0 HD3 ARG A 33 8.556 4.223 -13.796 1.00 1.00 H new ATOM 0 HE ARG A 33 6.809 1.896 -13.726 1.00 1.00 H new ATOM 0 HH11 ARG A 33 9.705 3.274 -15.226 1.00 1.00 H new ATOM 0 HH12 ARG A 33 9.812 1.989 -16.434 1.00 1.00 H new ATOM 0 HH21 ARG A 33 7.074 0.173 -15.141 1.00 1.00 H new ATOM 0 HH22 ARG A 33 8.328 0.240 -16.385 1.00 1.00 H new ATOM 556 N GLU A 34 12.510 4.986 -10.176 1.00 1.00 N ATOM 557 CA GLU A 34 13.433 5.885 -9.505 1.00 1.00 C ATOM 558 C GLU A 34 12.727 7.222 -9.253 1.00 1.00 C ATOM 559 O GLU A 34 11.713 7.535 -9.884 1.00 1.00 O ATOM 560 CB GLU A 34 14.655 6.064 -10.409 1.00 1.00 C ATOM 561 CG GLU A 34 15.900 6.526 -9.643 1.00 1.00 C ATOM 562 CD GLU A 34 16.373 5.369 -8.763 1.00 1.00 C ATOM 563 OE1 GLU A 34 16.890 4.381 -9.338 1.00 1.00 O ATOM 564 OE2 GLU A 34 16.098 5.380 -7.542 1.00 1.00 O ATOM 0 H GLU A 34 12.609 4.965 -11.191 1.00 1.00 H new ATOM 0 HA GLU A 34 13.755 5.484 -8.544 1.00 1.00 H new ATOM 0 HB2 GLU A 34 14.872 5.120 -10.910 1.00 1.00 H new ATOM 0 HB3 GLU A 34 14.422 6.791 -11.187 1.00 1.00 H new ATOM 0 HG2 GLU A 34 16.686 6.822 -10.338 1.00 1.00 H new ATOM 0 HG3 GLU A 34 15.669 7.399 -9.032 1.00 1.00 H new ATOM 571 N GLY A 35 13.260 8.027 -8.334 1.00 1.00 N ATOM 572 CA GLY A 35 12.643 9.280 -7.910 1.00 1.00 C ATOM 573 C GLY A 35 11.453 9.054 -6.976 1.00 1.00 C ATOM 574 O GLY A 35 10.806 10.008 -6.540 1.00 1.00 O ATOM 0 H GLY A 35 14.140 7.824 -7.860 1.00 1.00 H new ATOM 0 HA2 GLY A 35 13.387 9.896 -7.405 1.00 1.00 H new ATOM 0 HA3 GLY A 35 12.313 9.835 -8.788 1.00 1.00 H new ATOM 578 N TYR A 36 11.154 7.798 -6.650 1.00 1.00 N ATOM 579 CA TYR A 36 10.147 7.372 -5.698 1.00 1.00 C ATOM 580 C TYR A 36 10.932 6.648 -4.609 1.00 1.00 C ATOM 581 O TYR A 36 11.916 5.965 -4.903 1.00 1.00 O ATOM 582 CB TYR A 36 9.120 6.455 -6.364 1.00 1.00 C ATOM 583 CG TYR A 36 8.153 7.108 -7.328 1.00 1.00 C ATOM 584 CD1 TYR A 36 7.412 8.246 -6.949 1.00 1.00 C ATOM 585 CD2 TYR A 36 7.926 6.515 -8.583 1.00 1.00 C ATOM 586 CE1 TYR A 36 6.436 8.775 -7.811 1.00 1.00 C ATOM 587 CE2 TYR A 36 6.949 7.037 -9.446 1.00 1.00 C ATOM 588 CZ TYR A 36 6.181 8.155 -9.053 1.00 1.00 C ATOM 589 OH TYR A 36 5.213 8.625 -9.888 1.00 1.00 O ATOM 0 H TYR A 36 11.641 7.008 -7.073 1.00 1.00 H new ATOM 0 HA TYR A 36 9.573 8.206 -5.294 1.00 1.00 H new ATOM 0 HB2 TYR A 36 9.658 5.673 -6.899 1.00 1.00 H new ATOM 0 HB3 TYR A 36 8.542 5.965 -5.580 1.00 1.00 H new ATOM 0 HD1 TYR A 36 7.595 8.713 -5.993 1.00 1.00 H new ATOM 0 HD2 TYR A 36 8.505 5.655 -8.884 1.00 1.00 H new ATOM 0 HE1 TYR A 36 5.881 9.656 -7.523 1.00 1.00 H new ATOM 0 HE2 TYR A 36 6.785 6.583 -10.412 1.00 1.00 H new ATOM 0 HH TYR A 36 5.182 8.072 -10.697 1.00 1.00 H new ATOM 599 N GLY A 37 10.488 6.762 -3.364 1.00 1.00 N ATOM 600 CA GLY A 37 11.233 6.210 -2.240 1.00 1.00 C ATOM 601 C GLY A 37 11.049 4.714 -2.029 1.00 1.00 C ATOM 602 O GLY A 37 10.301 4.032 -2.737 1.00 1.00 O ATOM 0 H GLY A 37 9.619 7.230 -3.107 1.00 1.00 H new ATOM 0 HA2 GLY A 37 12.293 6.415 -2.389 1.00 1.00 H new ATOM 0 HA3 GLY A 37 10.932 6.731 -1.331 1.00 1.00 H new ATOM 606 N ARG A 38 11.697 4.177 -0.997 1.00 1.00 N ATOM 607 CA ARG A 38 11.558 2.792 -0.568 1.00 1.00 C ATOM 608 C ARG A 38 11.403 2.815 0.947 1.00 1.00 C ATOM 609 O ARG A 38 12.370 3.087 1.659 1.00 1.00 O ATOM 610 CB ARG A 38 12.757 1.950 -1.058 1.00 1.00 C ATOM 611 CG ARG A 38 12.895 1.811 -2.591 1.00 1.00 C ATOM 612 CD ARG A 38 11.947 0.783 -3.228 1.00 1.00 C ATOM 613 NE ARG A 38 10.524 1.132 -3.077 1.00 1.00 N ATOM 614 CZ ARG A 38 9.545 0.249 -2.838 1.00 1.00 C ATOM 615 NH1 ARG A 38 9.755 -1.050 -2.988 1.00 1.00 N ATOM 616 NH2 ARG A 38 8.342 0.638 -2.427 1.00 1.00 N ATOM 0 H ARG A 38 12.350 4.710 -0.423 1.00 1.00 H new ATOM 0 HA ARG A 38 10.682 2.313 -1.004 1.00 1.00 H new ATOM 0 HB2 ARG A 38 13.673 2.394 -0.668 1.00 1.00 H new ATOM 0 HB3 ARG A 38 12.677 0.952 -0.627 1.00 1.00 H new ATOM 0 HG2 ARG A 38 12.715 2.784 -3.048 1.00 1.00 H new ATOM 0 HG3 ARG A 38 13.922 1.533 -2.826 1.00 1.00 H new ATOM 0 HD2 ARG A 38 12.181 0.691 -4.289 1.00 1.00 H new ATOM 0 HD3 ARG A 38 12.125 -0.193 -2.777 1.00 1.00 H new ATOM 0 HE ARG A 38 10.266 2.115 -3.160 1.00 1.00 H new ATOM 0 HH11 ARG A 38 10.670 -1.387 -3.288 1.00 1.00 H new ATOM 0 HH12 ARG A 38 9.002 -1.713 -2.803 1.00 1.00 H new ATOM 0 HH21 ARG A 38 8.147 1.629 -2.287 1.00 1.00 H new ATOM 0 HH22 ARG A 38 7.614 -0.055 -2.252 1.00 1.00 H new ATOM 630 N ILE A 39 10.192 2.557 1.445 1.00 1.00 N ATOM 631 CA ILE A 39 9.934 2.463 2.879 1.00 1.00 C ATOM 632 C ILE A 39 10.338 1.015 3.189 1.00 1.00 C ATOM 633 O ILE A 39 9.726 0.107 2.620 1.00 1.00 O ATOM 634 CB ILE A 39 8.441 2.715 3.244 1.00 1.00 C ATOM 635 CG1 ILE A 39 7.792 3.922 2.529 1.00 1.00 C ATOM 636 CG2 ILE A 39 8.341 2.923 4.769 1.00 1.00 C ATOM 637 CD1 ILE A 39 6.257 3.959 2.628 1.00 1.00 C ATOM 0 H ILE A 39 9.366 2.408 0.865 1.00 1.00 H new ATOM 0 HA ILE A 39 10.478 3.215 3.451 1.00 1.00 H new ATOM 0 HB ILE A 39 7.890 1.838 2.905 1.00 1.00 H new ATOM 0 HG12 ILE A 39 8.195 4.842 2.953 1.00 1.00 H new ATOM 0 HG13 ILE A 39 8.077 3.904 1.477 1.00 1.00 H new ATOM 0 HG21 ILE A 39 7.302 3.101 5.045 1.00 1.00 H new ATOM 0 HG22 ILE A 39 8.705 2.033 5.282 1.00 1.00 H new ATOM 0 HG23 ILE A 39 8.946 3.782 5.059 1.00 1.00 H new ATOM 0 HD11 ILE A 39 5.879 4.835 2.101 1.00 1.00 H new ATOM 0 HD12 ILE A 39 5.841 3.058 2.177 1.00 1.00 H new ATOM 0 HD13 ILE A 39 5.961 4.010 3.676 1.00 1.00 H new ATOM 649 N PRO A 40 11.410 0.771 3.961 1.00 1.00 N ATOM 650 CA PRO A 40 11.889 -0.578 4.192 1.00 1.00 C ATOM 651 C PRO A 40 10.898 -1.341 5.068 1.00 1.00 C ATOM 652 O PRO A 40 10.085 -0.757 5.791 1.00 1.00 O ATOM 653 CB PRO A 40 13.266 -0.431 4.816 1.00 1.00 C ATOM 654 CG PRO A 40 13.113 0.858 5.605 1.00 1.00 C ATOM 655 CD PRO A 40 12.217 1.717 4.713 1.00 1.00 C ATOM 0 HA PRO A 40 11.970 -1.163 3.276 1.00 1.00 H new ATOM 0 HB2 PRO A 40 13.517 -1.276 5.458 1.00 1.00 H new ATOM 0 HB3 PRO A 40 14.051 -0.359 4.063 1.00 1.00 H new ATOM 0 HG2 PRO A 40 12.658 0.681 6.579 1.00 1.00 H new ATOM 0 HG3 PRO A 40 14.076 1.335 5.785 1.00 1.00 H new ATOM 0 HD2 PRO A 40 11.592 2.383 5.308 1.00 1.00 H new ATOM 0 HD3 PRO A 40 12.809 2.345 4.048 1.00 1.00 H new ATOM 663 N ARG A 41 10.999 -2.669 5.063 1.00 1.00 N ATOM 664 CA ARG A 41 10.041 -3.510 5.759 1.00 1.00 C ATOM 665 C ARG A 41 10.060 -3.294 7.272 1.00 1.00 C ATOM 666 O ARG A 41 8.995 -3.342 7.876 1.00 1.00 O ATOM 667 CB ARG A 41 10.266 -4.970 5.359 1.00 1.00 C ATOM 668 CG ARG A 41 9.065 -5.875 5.673 1.00 1.00 C ATOM 669 CD ARG A 41 9.551 -7.065 6.496 1.00 1.00 C ATOM 670 NE ARG A 41 8.463 -7.962 6.887 1.00 1.00 N ATOM 671 CZ ARG A 41 8.534 -8.843 7.888 1.00 1.00 C ATOM 672 NH1 ARG A 41 9.684 -9.042 8.520 1.00 1.00 N ATOM 673 NH2 ARG A 41 7.438 -9.501 8.236 1.00 1.00 N ATOM 0 H ARG A 41 11.738 -3.182 4.582 1.00 1.00 H new ATOM 0 HA ARG A 41 9.035 -3.223 5.453 1.00 1.00 H new ATOM 0 HB2 ARG A 41 10.480 -5.019 4.291 1.00 1.00 H new ATOM 0 HB3 ARG A 41 11.145 -5.351 5.878 1.00 1.00 H new ATOM 0 HG2 ARG A 41 8.307 -5.319 6.224 1.00 1.00 H new ATOM 0 HG3 ARG A 41 8.600 -6.219 4.749 1.00 1.00 H new ATOM 0 HD2 ARG A 41 10.288 -7.624 5.919 1.00 1.00 H new ATOM 0 HD3 ARG A 41 10.056 -6.701 7.391 1.00 1.00 H new ATOM 0 HE ARG A 41 7.592 -7.911 6.359 1.00 1.00 H new ATOM 0 HH11 ARG A 41 10.516 -8.521 8.241 1.00 1.00 H new ATOM 0 HH12 ARG A 41 9.736 -9.715 9.284 1.00 1.00 H new ATOM 0 HH21 ARG A 41 6.562 -9.330 7.742 1.00 1.00 H new ATOM 0 HH22 ARG A 41 7.470 -10.178 8.998 1.00 1.00 H new ATOM 687 N GLY A 42 11.210 -3.014 7.890 1.00 1.00 N ATOM 688 CA GLY A 42 11.272 -2.755 9.327 1.00 1.00 C ATOM 689 C GLY A 42 10.427 -1.536 9.699 1.00 1.00 C ATOM 690 O GLY A 42 9.623 -1.593 10.638 1.00 1.00 O ATOM 0 H GLY A 42 12.111 -2.961 7.415 1.00 1.00 H new ATOM 0 HA2 GLY A 42 10.917 -3.629 9.874 1.00 1.00 H new ATOM 0 HA3 GLY A 42 12.307 -2.590 9.626 1.00 1.00 H new ATOM 694 N ALA A 43 10.582 -0.450 8.931 1.00 1.00 N ATOM 695 CA ALA A 43 9.783 0.760 9.082 1.00 1.00 C ATOM 696 C ALA A 43 8.303 0.421 8.889 1.00 1.00 C ATOM 697 O ALA A 43 7.473 0.769 9.732 1.00 1.00 O ATOM 698 CB ALA A 43 10.250 1.840 8.103 1.00 1.00 C ATOM 0 H ALA A 43 11.273 -0.392 8.183 1.00 1.00 H new ATOM 0 HA ALA A 43 9.915 1.160 10.087 1.00 1.00 H new ATOM 0 HB1 ALA A 43 9.641 2.735 8.231 1.00 1.00 H new ATOM 0 HB2 ALA A 43 11.295 2.081 8.298 1.00 1.00 H new ATOM 0 HB3 ALA A 43 10.147 1.474 7.081 1.00 1.00 H new ATOM 704 N LEU A 44 7.978 -0.313 7.820 1.00 1.00 N ATOM 705 CA LEU A 44 6.611 -0.724 7.533 1.00 1.00 C ATOM 706 C LEU A 44 5.994 -1.518 8.686 1.00 1.00 C ATOM 707 O LEU A 44 4.820 -1.307 8.969 1.00 1.00 O ATOM 708 CB LEU A 44 6.527 -1.492 6.207 1.00 1.00 C ATOM 709 CG LEU A 44 6.719 -0.637 4.939 1.00 1.00 C ATOM 710 CD1 LEU A 44 6.700 -1.544 3.707 1.00 1.00 C ATOM 711 CD2 LEU A 44 5.609 0.411 4.780 1.00 1.00 C ATOM 0 H LEU A 44 8.659 -0.636 7.133 1.00 1.00 H new ATOM 0 HA LEU A 44 6.018 0.185 7.426 1.00 1.00 H new ATOM 0 HB2 LEU A 44 7.282 -2.279 6.213 1.00 1.00 H new ATOM 0 HB3 LEU A 44 5.555 -1.983 6.151 1.00 1.00 H new ATOM 0 HG LEU A 44 7.674 -0.121 5.035 1.00 1.00 H new ATOM 0 HD11 LEU A 44 6.836 -0.941 2.809 1.00 1.00 H new ATOM 0 HD12 LEU A 44 7.507 -2.273 3.780 1.00 1.00 H new ATOM 0 HD13 LEU A 44 5.744 -2.065 3.653 1.00 1.00 H new ATOM 0 HD21 LEU A 44 5.783 0.991 3.874 1.00 1.00 H new ATOM 0 HD22 LEU A 44 4.643 -0.090 4.710 1.00 1.00 H new ATOM 0 HD23 LEU A 44 5.611 1.077 5.643 1.00 1.00 H new ATOM 723 N LEU A 45 6.738 -2.412 9.349 1.00 1.00 N ATOM 724 CA LEU A 45 6.241 -3.120 10.534 1.00 1.00 C ATOM 725 C LEU A 45 6.029 -2.190 11.717 1.00 1.00 C ATOM 726 O LEU A 45 5.021 -2.361 12.404 1.00 1.00 O ATOM 727 CB LEU A 45 7.061 -4.356 10.968 1.00 1.00 C ATOM 728 CG LEU A 45 6.795 -5.687 10.236 1.00 1.00 C ATOM 729 CD1 LEU A 45 5.386 -6.215 10.539 1.00 1.00 C ATOM 730 CD2 LEU A 45 7.015 -5.653 8.727 1.00 1.00 C ATOM 0 H LEU A 45 7.690 -2.663 9.083 1.00 1.00 H new ATOM 0 HA LEU A 45 5.278 -3.509 10.202 1.00 1.00 H new ATOM 0 HB2 LEU A 45 8.118 -4.115 10.852 1.00 1.00 H new ATOM 0 HB3 LEU A 45 6.886 -4.518 12.032 1.00 1.00 H new ATOM 0 HG LEU A 45 7.549 -6.366 10.634 1.00 1.00 H new ATOM 0 HD11 LEU A 45 5.228 -7.154 10.009 1.00 1.00 H new ATOM 0 HD12 LEU A 45 5.283 -6.381 11.611 1.00 1.00 H new ATOM 0 HD13 LEU A 45 4.646 -5.485 10.212 1.00 1.00 H new ATOM 0 HD21 LEU A 45 6.802 -6.636 8.306 1.00 1.00 H new ATOM 0 HD22 LEU A 45 6.350 -4.914 8.279 1.00 1.00 H new ATOM 0 HD23 LEU A 45 8.050 -5.385 8.516 1.00 1.00 H new ATOM 742 N SER A 46 6.923 -1.235 11.995 1.00 1.00 N ATOM 743 CA SER A 46 6.658 -0.285 13.066 1.00 1.00 C ATOM 744 C SER A 46 5.383 0.528 12.802 1.00 1.00 C ATOM 745 O SER A 46 4.638 0.834 13.738 1.00 1.00 O ATOM 746 CB SER A 46 7.885 0.598 13.301 1.00 1.00 C ATOM 747 OG SER A 46 8.571 0.988 12.130 1.00 1.00 O ATOM 0 H SER A 46 7.809 -1.105 11.507 1.00 1.00 H new ATOM 0 HA SER A 46 6.471 -0.839 13.986 1.00 1.00 H new ATOM 0 HB2 SER A 46 7.572 1.494 13.837 1.00 1.00 H new ATOM 0 HB3 SER A 46 8.579 0.065 13.950 1.00 1.00 H new ATOM 0 HG SER A 46 7.925 1.151 11.411 1.00 1.00 H new ATOM 753 N MET A 47 5.126 0.853 11.539 1.00 1.00 N ATOM 754 CA MET A 47 3.938 1.553 11.088 1.00 1.00 C ATOM 755 C MET A 47 2.733 0.599 11.073 1.00 1.00 C ATOM 756 O MET A 47 2.877 -0.622 10.995 1.00 1.00 O ATOM 757 CB MET A 47 4.225 2.079 9.672 1.00 1.00 C ATOM 758 CG MET A 47 5.347 3.131 9.598 1.00 1.00 C ATOM 759 SD MET A 47 6.130 3.295 7.964 1.00 1.00 S ATOM 760 CE MET A 47 4.670 3.361 6.899 1.00 1.00 C ATOM 0 H MET A 47 5.765 0.626 10.777 1.00 1.00 H new ATOM 0 HA MET A 47 3.698 2.377 11.759 1.00 1.00 H new ATOM 0 HB2 MET A 47 4.490 1.237 9.032 1.00 1.00 H new ATOM 0 HB3 MET A 47 3.311 2.512 9.266 1.00 1.00 H new ATOM 0 HG2 MET A 47 4.939 4.099 9.889 1.00 1.00 H new ATOM 0 HG3 MET A 47 6.114 2.876 10.329 1.00 1.00 H new ATOM 0 HE1 MET A 47 4.973 3.603 5.880 1.00 1.00 H new ATOM 0 HE2 MET A 47 4.169 2.393 6.908 1.00 1.00 H new ATOM 0 HE3 MET A 47 3.987 4.127 7.266 1.00 1.00 H new ATOM 770 N ASP A 48 1.528 1.156 11.068 1.00 1.00 N ATOM 771 CA ASP A 48 0.245 0.462 10.946 1.00 1.00 C ATOM 772 C ASP A 48 -0.452 0.982 9.698 1.00 1.00 C ATOM 773 O ASP A 48 0.215 1.428 8.763 1.00 1.00 O ATOM 774 CB ASP A 48 -0.610 0.612 12.216 1.00 1.00 C ATOM 775 CG ASP A 48 -1.087 2.026 12.565 1.00 1.00 C ATOM 776 OD1 ASP A 48 -1.040 2.942 11.718 1.00 1.00 O ATOM 777 OD2 ASP A 48 -1.553 2.184 13.715 1.00 1.00 O ATOM 0 H ASP A 48 1.410 2.165 11.154 1.00 1.00 H new ATOM 0 HA ASP A 48 0.407 -0.611 10.842 1.00 1.00 H new ATOM 0 HB2 ASP A 48 -1.487 -0.026 12.112 1.00 1.00 H new ATOM 0 HB3 ASP A 48 -0.035 0.229 13.060 1.00 1.00 H new ATOM 782 N ALA A 49 -1.772 0.851 9.655 1.00 1.00 N ATOM 783 CA ALA A 49 -2.619 1.331 8.576 1.00 1.00 C ATOM 784 C ALA A 49 -2.600 2.862 8.449 1.00 1.00 C ATOM 785 O ALA A 49 -2.426 3.371 7.341 1.00 1.00 O ATOM 786 CB ALA A 49 -4.051 0.842 8.825 1.00 1.00 C ATOM 0 H ALA A 49 -2.298 0.391 10.398 1.00 1.00 H new ATOM 0 HA ALA A 49 -2.232 0.934 7.637 1.00 1.00 H new ATOM 0 HB1 ALA A 49 -4.700 1.194 8.023 1.00 1.00 H new ATOM 0 HB2 ALA A 49 -4.064 -0.248 8.851 1.00 1.00 H new ATOM 0 HB3 ALA A 49 -4.408 1.232 9.778 1.00 1.00 H new ATOM 792 N LEU A 50 -2.806 3.621 9.531 1.00 1.00 N ATOM 793 CA LEU A 50 -2.820 5.081 9.430 1.00 1.00 C ATOM 794 C LEU A 50 -1.418 5.572 9.128 1.00 1.00 C ATOM 795 O LEU A 50 -1.245 6.382 8.215 1.00 1.00 O ATOM 796 CB LEU A 50 -3.385 5.749 10.689 1.00 1.00 C ATOM 797 CG LEU A 50 -3.654 7.258 10.455 1.00 1.00 C ATOM 798 CD1 LEU A 50 -4.878 7.715 11.254 1.00 1.00 C ATOM 799 CD2 LEU A 50 -2.474 8.160 10.842 1.00 1.00 C ATOM 0 H LEU A 50 -2.963 3.255 10.470 1.00 1.00 H new ATOM 0 HA LEU A 50 -3.487 5.362 8.615 1.00 1.00 H new ATOM 0 HB2 LEU A 50 -4.311 5.254 10.981 1.00 1.00 H new ATOM 0 HB3 LEU A 50 -2.683 5.626 11.514 1.00 1.00 H new ATOM 0 HG LEU A 50 -3.820 7.359 9.382 1.00 1.00 H new ATOM 0 HD11 LEU A 50 -5.052 8.777 11.078 1.00 1.00 H new ATOM 0 HD12 LEU A 50 -5.752 7.147 10.937 1.00 1.00 H new ATOM 0 HD13 LEU A 50 -4.702 7.548 12.317 1.00 1.00 H new ATOM 0 HD21 LEU A 50 -2.734 9.201 10.651 1.00 1.00 H new ATOM 0 HD22 LEU A 50 -2.249 8.030 11.901 1.00 1.00 H new ATOM 0 HD23 LEU A 50 -1.600 7.890 10.249 1.00 1.00 H new ATOM 811 N ASP A 51 -0.426 5.072 9.871 1.00 1.00 N ATOM 812 CA ASP A 51 0.965 5.396 9.585 1.00 1.00 C ATOM 813 C ASP A 51 1.335 5.051 8.160 1.00 1.00 C ATOM 814 O ASP A 51 2.005 5.871 7.539 1.00 1.00 O ATOM 815 CB ASP A 51 1.997 4.844 10.570 1.00 1.00 C ATOM 816 CG ASP A 51 2.164 5.687 11.828 1.00 1.00 C ATOM 817 OD1 ASP A 51 2.621 6.847 11.669 1.00 1.00 O ATOM 818 OD2 ASP A 51 2.070 5.152 12.956 1.00 1.00 O ATOM 0 H ASP A 51 -0.563 4.448 10.666 1.00 1.00 H new ATOM 0 HA ASP A 51 1.012 6.476 9.721 1.00 1.00 H new ATOM 0 HB2 ASP A 51 1.706 3.834 10.858 1.00 1.00 H new ATOM 0 HB3 ASP A 51 2.960 4.767 10.066 1.00 1.00 H new ATOM 823 N LEU A 52 0.922 3.893 7.626 1.00 1.00 N ATOM 824 CA LEU A 52 1.162 3.595 6.221 1.00 1.00 C ATOM 825 C LEU A 52 0.522 4.688 5.407 1.00 1.00 C ATOM 826 O LEU A 52 1.255 5.328 4.679 1.00 1.00 O ATOM 827 CB LEU A 52 0.627 2.238 5.740 1.00 1.00 C ATOM 828 CG LEU A 52 0.767 2.070 4.191 1.00 1.00 C ATOM 829 CD1 LEU A 52 1.734 0.973 3.761 1.00 1.00 C ATOM 830 CD2 LEU A 52 -0.597 1.830 3.544 1.00 1.00 C ATOM 0 H LEU A 52 0.429 3.163 8.141 1.00 1.00 H new ATOM 0 HA LEU A 52 2.243 3.541 6.093 1.00 1.00 H new ATOM 0 HB2 LEU A 52 1.168 1.436 6.242 1.00 1.00 H new ATOM 0 HB3 LEU A 52 -0.421 2.141 6.022 1.00 1.00 H new ATOM 0 HG LEU A 52 1.192 3.011 3.843 1.00 1.00 H new ATOM 0 HD11 LEU A 52 1.770 0.926 2.673 1.00 1.00 H new ATOM 0 HD12 LEU A 52 2.729 1.193 4.148 1.00 1.00 H new ATOM 0 HD13 LEU A 52 1.395 0.015 4.155 1.00 1.00 H new ATOM 0 HD21 LEU A 52 -0.474 1.716 2.467 1.00 1.00 H new ATOM 0 HD22 LEU A 52 -1.041 0.924 3.956 1.00 1.00 H new ATOM 0 HD23 LEU A 52 -1.250 2.679 3.747 1.00 1.00 H new ATOM 842 N THR A 53 -0.785 4.903 5.521 1.00 1.00 N ATOM 843 CA THR A 53 -1.515 5.849 4.700 1.00 1.00 C ATOM 844 C THR A 53 -0.782 7.182 4.636 1.00 1.00 C ATOM 845 O THR A 53 -0.410 7.622 3.550 1.00 1.00 O ATOM 846 CB THR A 53 -2.957 5.974 5.226 1.00 1.00 C ATOM 847 OG1 THR A 53 -3.582 4.710 5.265 1.00 1.00 O ATOM 848 CG2 THR A 53 -3.819 6.881 4.351 1.00 1.00 C ATOM 0 H THR A 53 -1.371 4.415 6.198 1.00 1.00 H new ATOM 0 HA THR A 53 -1.573 5.488 3.673 1.00 1.00 H new ATOM 0 HB THR A 53 -2.877 6.405 6.224 1.00 1.00 H new ATOM 0 HG1 THR A 53 -3.285 4.222 6.061 1.00 1.00 H new ATOM 0 HG21 THR A 53 -4.826 6.936 4.765 1.00 1.00 H new ATOM 0 HG22 THR A 53 -3.384 7.880 4.323 1.00 1.00 H new ATOM 0 HG23 THR A 53 -3.864 6.476 3.340 1.00 1.00 H new ATOM 856 N ASP A 54 -0.511 7.796 5.781 1.00 1.00 N ATOM 857 CA ASP A 54 0.186 9.071 5.816 1.00 1.00 C ATOM 858 C ASP A 54 1.638 9.025 5.367 1.00 1.00 C ATOM 859 O ASP A 54 2.085 9.982 4.717 1.00 1.00 O ATOM 860 CB ASP A 54 0.015 9.770 7.166 1.00 1.00 C ATOM 861 CG ASP A 54 -1.301 10.538 7.295 1.00 1.00 C ATOM 862 OD1 ASP A 54 -2.024 10.669 6.282 1.00 1.00 O ATOM 863 OD2 ASP A 54 -1.528 11.190 8.337 1.00 1.00 O ATOM 0 H ASP A 54 -0.765 7.429 6.698 1.00 1.00 H new ATOM 0 HA ASP A 54 -0.305 9.679 5.056 1.00 1.00 H new ATOM 0 HB2 ASP A 54 0.071 9.026 7.961 1.00 1.00 H new ATOM 0 HB3 ASP A 54 0.845 10.460 7.316 1.00 1.00 H new ATOM 868 N LYS A 55 2.383 7.960 5.683 1.00 1.00 N ATOM 869 CA LYS A 55 3.748 7.802 5.193 1.00 1.00 C ATOM 870 C LYS A 55 3.685 7.728 3.678 1.00 1.00 C ATOM 871 O LYS A 55 4.248 8.578 3.019 1.00 1.00 O ATOM 872 CB LYS A 55 4.443 6.539 5.750 1.00 1.00 C ATOM 873 CG LYS A 55 5.972 6.595 5.588 1.00 1.00 C ATOM 874 CD LYS A 55 6.726 6.989 6.868 1.00 1.00 C ATOM 875 CE LYS A 55 6.350 8.359 7.444 1.00 1.00 C ATOM 876 NZ LYS A 55 5.124 8.333 8.273 1.00 1.00 N ATOM 0 H LYS A 55 2.059 7.196 6.277 1.00 1.00 H new ATOM 0 HA LYS A 55 4.340 8.652 5.532 1.00 1.00 H new ATOM 0 HB2 LYS A 55 4.196 6.426 6.806 1.00 1.00 H new ATOM 0 HB3 LYS A 55 4.057 5.658 5.236 1.00 1.00 H new ATOM 0 HG2 LYS A 55 6.327 5.619 5.256 1.00 1.00 H new ATOM 0 HG3 LYS A 55 6.217 7.308 4.801 1.00 1.00 H new ATOM 0 HD2 LYS A 55 6.543 6.229 7.628 1.00 1.00 H new ATOM 0 HD3 LYS A 55 7.796 6.980 6.659 1.00 1.00 H new ATOM 0 HE2 LYS A 55 7.179 8.731 8.046 1.00 1.00 H new ATOM 0 HE3 LYS A 55 6.210 9.063 6.624 1.00 1.00 H new ATOM 0 HZ1 LYS A 55 5.241 8.971 9.086 1.00 1.00 H new ATOM 0 HZ2 LYS A 55 4.312 8.645 7.702 1.00 1.00 H new ATOM 0 HZ3 LYS A 55 4.956 7.365 8.614 1.00 1.00 H new ATOM 890 N LEU A 56 2.991 6.732 3.142 1.00 1.00 N ATOM 891 CA LEU A 56 2.838 6.361 1.748 1.00 1.00 C ATOM 892 C LEU A 56 2.409 7.596 0.954 1.00 1.00 C ATOM 893 O LEU A 56 3.073 7.956 -0.011 1.00 1.00 O ATOM 894 CB LEU A 56 1.866 5.161 1.784 1.00 1.00 C ATOM 895 CG LEU A 56 1.349 4.416 0.554 1.00 1.00 C ATOM 896 CD1 LEU A 56 0.252 5.221 -0.121 1.00 1.00 C ATOM 897 CD2 LEU A 56 2.397 3.952 -0.451 1.00 1.00 C ATOM 0 H LEU A 56 2.465 6.097 3.743 1.00 1.00 H new ATOM 0 HA LEU A 56 3.740 6.040 1.226 1.00 1.00 H new ATOM 0 HB2 LEU A 56 2.343 4.408 2.412 1.00 1.00 H new ATOM 0 HB3 LEU A 56 0.981 5.508 2.318 1.00 1.00 H new ATOM 0 HG LEU A 56 0.951 3.480 0.946 1.00 1.00 H new ATOM 0 HD11 LEU A 56 -0.109 4.681 -0.996 1.00 1.00 H new ATOM 0 HD12 LEU A 56 -0.571 5.372 0.578 1.00 1.00 H new ATOM 0 HD13 LEU A 56 0.648 6.189 -0.429 1.00 1.00 H new ATOM 0 HD21 LEU A 56 1.906 3.437 -1.277 1.00 1.00 H new ATOM 0 HD22 LEU A 56 2.942 4.815 -0.833 1.00 1.00 H new ATOM 0 HD23 LEU A 56 3.094 3.271 0.038 1.00 1.00 H new ATOM 909 N VAL A 57 1.377 8.310 1.393 1.00 1.00 N ATOM 910 CA VAL A 57 0.897 9.514 0.724 1.00 1.00 C ATOM 911 C VAL A 57 1.943 10.644 0.738 1.00 1.00 C ATOM 912 O VAL A 57 2.116 11.320 -0.279 1.00 1.00 O ATOM 913 CB VAL A 57 -0.453 9.895 1.366 1.00 1.00 C ATOM 914 CG1 VAL A 57 -0.921 11.300 0.995 1.00 1.00 C ATOM 915 CG2 VAL A 57 -1.524 8.873 0.931 1.00 1.00 C ATOM 0 H VAL A 57 0.846 8.067 2.230 1.00 1.00 H new ATOM 0 HA VAL A 57 0.737 9.327 -0.338 1.00 1.00 H new ATOM 0 HB VAL A 57 -0.309 9.882 2.446 1.00 1.00 H new ATOM 0 HG11 VAL A 57 -1.876 11.505 1.479 1.00 1.00 H new ATOM 0 HG12 VAL A 57 -0.182 12.029 1.327 1.00 1.00 H new ATOM 0 HG13 VAL A 57 -1.040 11.370 -0.086 1.00 1.00 H new ATOM 0 HG21 VAL A 57 -2.481 9.136 1.381 1.00 1.00 H new ATOM 0 HG22 VAL A 57 -1.618 8.884 -0.155 1.00 1.00 H new ATOM 0 HG23 VAL A 57 -1.230 7.876 1.259 1.00 1.00 H new ATOM 925 N SER A 58 2.635 10.887 1.857 1.00 1.00 N ATOM 926 CA SER A 58 3.610 11.973 1.940 1.00 1.00 C ATOM 927 C SER A 58 4.916 11.640 1.195 1.00 1.00 C ATOM 928 O SER A 58 5.481 12.479 0.487 1.00 1.00 O ATOM 929 CB SER A 58 3.859 12.224 3.429 1.00 1.00 C ATOM 930 OG SER A 58 4.729 13.306 3.678 1.00 1.00 O ATOM 0 H SER A 58 2.536 10.345 2.715 1.00 1.00 H new ATOM 0 HA SER A 58 3.223 12.868 1.453 1.00 1.00 H new ATOM 0 HB2 SER A 58 2.906 12.413 3.922 1.00 1.00 H new ATOM 0 HB3 SER A 58 4.276 11.322 3.877 1.00 1.00 H new ATOM 0 HG SER A 58 4.846 13.416 4.645 1.00 1.00 H new ATOM 936 N PHE A 59 5.401 10.418 1.383 1.00 1.00 N ATOM 937 CA PHE A 59 6.654 9.848 0.907 1.00 1.00 C ATOM 938 C PHE A 59 6.613 9.515 -0.582 1.00 1.00 C ATOM 939 O PHE A 59 7.669 9.342 -1.191 1.00 1.00 O ATOM 940 CB PHE A 59 6.901 8.594 1.745 1.00 1.00 C ATOM 941 CG PHE A 59 8.260 7.952 1.635 1.00 1.00 C ATOM 942 CD1 PHE A 59 9.333 8.427 2.409 1.00 1.00 C ATOM 943 CD2 PHE A 59 8.417 6.808 0.842 1.00 1.00 C ATOM 944 CE1 PHE A 59 10.560 7.747 2.391 1.00 1.00 C ATOM 945 CE2 PHE A 59 9.632 6.114 0.849 1.00 1.00 C ATOM 946 CZ PHE A 59 10.711 6.584 1.616 1.00 1.00 C ATOM 0 H PHE A 59 4.873 9.735 1.927 1.00 1.00 H new ATOM 0 HA PHE A 59 7.463 10.570 1.019 1.00 1.00 H new ATOM 0 HB2 PHE A 59 6.730 8.847 2.791 1.00 1.00 H new ATOM 0 HB3 PHE A 59 6.152 7.851 1.471 1.00 1.00 H new ATOM 0 HD1 PHE A 59 9.213 9.313 3.016 1.00 1.00 H new ATOM 0 HD2 PHE A 59 7.601 6.462 0.225 1.00 1.00 H new ATOM 0 HE1 PHE A 59 11.390 8.118 2.974 1.00 1.00 H new ATOM 0 HE2 PHE A 59 9.741 5.214 0.263 1.00 1.00 H new ATOM 0 HZ PHE A 59 11.652 6.054 1.610 1.00 1.00 H new ATOM 956 N TYR A 60 5.422 9.404 -1.171 1.00 1.00 N ATOM 957 CA TYR A 60 5.268 9.207 -2.601 1.00 1.00 C ATOM 958 C TYR A 60 4.482 10.412 -3.095 1.00 1.00 C ATOM 959 O TYR A 60 5.084 11.473 -3.220 1.00 1.00 O ATOM 960 CB TYR A 60 4.623 7.844 -2.887 1.00 1.00 C ATOM 961 CG TYR A 60 5.515 6.669 -2.538 1.00 1.00 C ATOM 962 CD1 TYR A 60 6.625 6.382 -3.344 1.00 1.00 C ATOM 963 CD2 TYR A 60 5.256 5.876 -1.406 1.00 1.00 C ATOM 964 CE1 TYR A 60 7.462 5.307 -3.015 1.00 1.00 C ATOM 965 CE2 TYR A 60 6.057 4.764 -1.099 1.00 1.00 C ATOM 966 CZ TYR A 60 7.177 4.483 -1.906 1.00 1.00 C ATOM 967 OH TYR A 60 8.014 3.453 -1.606 1.00 1.00 O ATOM 0 H TYR A 60 4.539 9.449 -0.663 1.00 1.00 H new ATOM 0 HA TYR A 60 6.214 9.162 -3.141 1.00 1.00 H new ATOM 0 HB2 TYR A 60 3.694 7.765 -2.323 1.00 1.00 H new ATOM 0 HB3 TYR A 60 4.360 7.790 -3.943 1.00 1.00 H new ATOM 0 HD1 TYR A 60 6.834 6.986 -4.214 1.00 1.00 H new ATOM 0 HD2 TYR A 60 4.427 6.126 -0.761 1.00 1.00 H new ATOM 0 HE1 TYR A 60 8.336 5.107 -3.618 1.00 1.00 H new ATOM 0 HE2 TYR A 60 5.818 4.133 -0.256 1.00 1.00 H new ATOM 0 HH TYR A 60 8.792 3.480 -2.201 1.00 1.00 H new ATOM 977 N LEU A 61 3.165 10.297 -3.248 1.00 1.00 N ATOM 978 CA LEU A 61 2.179 11.314 -3.604 1.00 1.00 C ATOM 979 C LEU A 61 0.839 10.726 -3.153 1.00 1.00 C ATOM 980 O LEU A 61 0.757 9.541 -2.834 1.00 1.00 O ATOM 981 CB LEU A 61 2.069 11.602 -5.117 1.00 1.00 C ATOM 982 CG LEU A 61 3.115 12.452 -5.865 1.00 1.00 C ATOM 983 CD1 LEU A 61 3.556 13.696 -5.091 1.00 1.00 C ATOM 984 CD2 LEU A 61 4.297 11.640 -6.401 1.00 1.00 C ATOM 0 H LEU A 61 2.715 9.392 -3.111 1.00 1.00 H new ATOM 0 HA LEU A 61 2.465 12.257 -3.138 1.00 1.00 H new ATOM 0 HB2 LEU A 61 2.032 10.635 -5.619 1.00 1.00 H new ATOM 0 HB3 LEU A 61 1.103 12.081 -5.276 1.00 1.00 H new ATOM 0 HG LEU A 61 2.590 12.821 -6.746 1.00 1.00 H new ATOM 0 HD11 LEU A 61 4.292 14.247 -5.676 1.00 1.00 H new ATOM 0 HD12 LEU A 61 2.692 14.333 -4.903 1.00 1.00 H new ATOM 0 HD13 LEU A 61 3.998 13.396 -4.141 1.00 1.00 H new ATOM 0 HD21 LEU A 61 4.992 12.304 -6.915 1.00 1.00 H new ATOM 0 HD22 LEU A 61 4.809 11.151 -5.572 1.00 1.00 H new ATOM 0 HD23 LEU A 61 3.934 10.885 -7.098 1.00 1.00 H new ATOM 996 N GLU A 62 -0.233 11.510 -3.200 1.00 1.00 N ATOM 997 CA GLU A 62 -1.583 11.047 -2.908 1.00 1.00 C ATOM 998 C GLU A 62 -1.997 10.042 -3.985 1.00 1.00 C ATOM 999 O GLU A 62 -2.188 8.862 -3.691 1.00 1.00 O ATOM 1000 CB GLU A 62 -2.531 12.251 -2.843 1.00 1.00 C ATOM 1001 CG GLU A 62 -2.243 13.122 -1.614 1.00 1.00 C ATOM 1002 CD GLU A 62 -2.670 14.560 -1.838 1.00 1.00 C ATOM 1003 OE1 GLU A 62 -3.876 14.845 -1.692 1.00 1.00 O ATOM 1004 OE2 GLU A 62 -1.794 15.407 -2.118 1.00 1.00 O ATOM 0 H GLU A 62 -0.187 12.499 -3.446 1.00 1.00 H new ATOM 0 HA GLU A 62 -1.626 10.546 -1.941 1.00 1.00 H new ATOM 0 HB2 GLU A 62 -2.425 12.849 -3.748 1.00 1.00 H new ATOM 0 HB3 GLU A 62 -3.563 11.902 -2.810 1.00 1.00 H new ATOM 0 HG2 GLU A 62 -2.767 12.716 -0.749 1.00 1.00 H new ATOM 0 HG3 GLU A 62 -1.178 13.089 -1.385 1.00 1.00 H new ATOM 1011 N THR A 63 -2.091 10.484 -5.242 1.00 1.00 N ATOM 1012 CA THR A 63 -2.558 9.626 -6.320 1.00 1.00 C ATOM 1013 C THR A 63 -1.555 8.507 -6.619 1.00 1.00 C ATOM 1014 O THR A 63 -1.981 7.361 -6.754 1.00 1.00 O ATOM 1015 CB THR A 63 -2.886 10.458 -7.564 1.00 1.00 C ATOM 1016 OG1 THR A 63 -3.599 11.628 -7.205 1.00 1.00 O ATOM 1017 CG2 THR A 63 -3.754 9.646 -8.520 1.00 1.00 C ATOM 0 H THR A 63 -1.849 11.431 -5.532 1.00 1.00 H new ATOM 0 HA THR A 63 -3.479 9.139 -5.998 1.00 1.00 H new ATOM 0 HB THR A 63 -1.946 10.731 -8.044 1.00 1.00 H new ATOM 0 HG1 THR A 63 -3.799 12.149 -8.010 1.00 1.00 H new ATOM 0 HG21 THR A 63 -3.983 10.245 -9.402 1.00 1.00 H new ATOM 0 HG22 THR A 63 -3.219 8.746 -8.822 1.00 1.00 H new ATOM 0 HG23 THR A 63 -4.682 9.366 -8.021 1.00 1.00 H new ATOM 1025 N TYR A 64 -0.238 8.788 -6.675 1.00 1.00 N ATOM 1026 CA TYR A 64 0.720 7.693 -6.853 1.00 1.00 C ATOM 1027 C TYR A 64 0.671 6.753 -5.647 1.00 1.00 C ATOM 1028 O TYR A 64 0.928 5.566 -5.792 1.00 1.00 O ATOM 1029 CB TYR A 64 2.166 8.143 -7.137 1.00 1.00 C ATOM 1030 CG TYR A 64 3.094 6.964 -7.430 1.00 1.00 C ATOM 1031 CD1 TYR A 64 2.726 6.000 -8.388 1.00 1.00 C ATOM 1032 CD2 TYR A 64 4.258 6.752 -6.663 1.00 1.00 C ATOM 1033 CE1 TYR A 64 3.440 4.797 -8.515 1.00 1.00 C ATOM 1034 CE2 TYR A 64 4.991 5.558 -6.793 1.00 1.00 C ATOM 1035 CZ TYR A 64 4.573 4.568 -7.707 1.00 1.00 C ATOM 1036 OH TYR A 64 5.247 3.391 -7.792 1.00 1.00 O ATOM 0 H TYR A 64 0.168 9.721 -6.603 1.00 1.00 H new ATOM 0 HA TYR A 64 0.406 7.166 -7.754 1.00 1.00 H new ATOM 0 HB2 TYR A 64 2.171 8.826 -7.986 1.00 1.00 H new ATOM 0 HB3 TYR A 64 2.547 8.698 -6.279 1.00 1.00 H new ATOM 0 HD1 TYR A 64 1.882 6.188 -9.035 1.00 1.00 H new ATOM 0 HD2 TYR A 64 4.589 7.512 -5.971 1.00 1.00 H new ATOM 0 HE1 TYR A 64 3.123 4.051 -9.228 1.00 1.00 H new ATOM 0 HE2 TYR A 64 5.874 5.399 -6.192 1.00 1.00 H new ATOM 0 HH TYR A 64 6.204 3.569 -7.902 1.00 1.00 H new ATOM 1046 N GLY A 65 0.310 7.248 -4.465 1.00 1.00 N ATOM 1047 CA GLY A 65 0.123 6.433 -3.281 1.00 1.00 C ATOM 1048 C GLY A 65 -0.999 5.425 -3.513 1.00 1.00 C ATOM 1049 O GLY A 65 -0.813 4.234 -3.259 1.00 1.00 O ATOM 0 H GLY A 65 0.138 8.241 -4.307 1.00 1.00 H new ATOM 0 HA2 GLY A 65 1.048 5.910 -3.039 1.00 1.00 H new ATOM 0 HA3 GLY A 65 -0.117 7.067 -2.427 1.00 1.00 H new ATOM 1053 N ALA A 66 -2.151 5.874 -4.011 1.00 1.00 N ATOM 1054 CA ALA A 66 -3.271 4.990 -4.312 1.00 1.00 C ATOM 1055 C ALA A 66 -2.911 4.003 -5.424 1.00 1.00 C ATOM 1056 O ALA A 66 -3.183 2.810 -5.292 1.00 1.00 O ATOM 1057 CB ALA A 66 -4.510 5.814 -4.666 1.00 1.00 C ATOM 0 H ALA A 66 -2.331 6.857 -4.216 1.00 1.00 H new ATOM 0 HA ALA A 66 -3.499 4.400 -3.424 1.00 1.00 H new ATOM 0 HB1 ALA A 66 -5.341 5.144 -4.889 1.00 1.00 H new ATOM 0 HB2 ALA A 66 -4.775 6.453 -3.824 1.00 1.00 H new ATOM 0 HB3 ALA A 66 -4.298 6.433 -5.538 1.00 1.00 H new ATOM 1063 N GLU A 67 -2.257 4.491 -6.477 1.00 1.00 N ATOM 1064 CA GLU A 67 -1.791 3.694 -7.607 1.00 1.00 C ATOM 1065 C GLU A 67 -0.851 2.593 -7.115 1.00 1.00 C ATOM 1066 O GLU A 67 -1.078 1.422 -7.423 1.00 1.00 O ATOM 1067 CB GLU A 67 -1.119 4.602 -8.651 1.00 1.00 C ATOM 1068 CG GLU A 67 -0.602 3.815 -9.863 1.00 1.00 C ATOM 1069 CD GLU A 67 -0.127 4.740 -10.985 1.00 1.00 C ATOM 1070 OE1 GLU A 67 -0.979 5.232 -11.761 1.00 1.00 O ATOM 1071 OE2 GLU A 67 1.095 4.938 -11.169 1.00 1.00 O ATOM 0 H GLU A 67 -2.031 5.481 -6.569 1.00 1.00 H new ATOM 0 HA GLU A 67 -2.640 3.211 -8.091 1.00 1.00 H new ATOM 0 HB2 GLU A 67 -1.832 5.355 -8.987 1.00 1.00 H new ATOM 0 HB3 GLU A 67 -0.289 5.134 -8.186 1.00 1.00 H new ATOM 0 HG2 GLU A 67 0.220 3.169 -9.553 1.00 1.00 H new ATOM 0 HG3 GLU A 67 -1.393 3.166 -10.238 1.00 1.00 H new ATOM 1078 N LEU A 68 0.172 2.961 -6.331 1.00 1.00 N ATOM 1079 CA LEU A 68 1.122 2.070 -5.673 1.00 1.00 C ATOM 1080 C LEU A 68 0.343 1.045 -4.880 1.00 1.00 C ATOM 1081 O LEU A 68 0.564 -0.144 -5.067 1.00 1.00 O ATOM 1082 CB LEU A 68 2.097 2.857 -4.768 1.00 1.00 C ATOM 1083 CG LEU A 68 3.069 1.972 -3.952 1.00 1.00 C ATOM 1084 CD1 LEU A 68 4.212 2.822 -3.383 1.00 1.00 C ATOM 1085 CD2 LEU A 68 2.414 1.243 -2.766 1.00 1.00 C ATOM 0 H LEU A 68 0.364 3.943 -6.132 1.00 1.00 H new ATOM 0 HA LEU A 68 1.732 1.567 -6.423 1.00 1.00 H new ATOM 0 HB2 LEU A 68 2.679 3.538 -5.388 1.00 1.00 H new ATOM 0 HB3 LEU A 68 1.518 3.471 -4.078 1.00 1.00 H new ATOM 0 HG LEU A 68 3.424 1.222 -4.659 1.00 1.00 H new ATOM 0 HD11 LEU A 68 4.888 2.186 -2.811 1.00 1.00 H new ATOM 0 HD12 LEU A 68 4.759 3.290 -4.201 1.00 1.00 H new ATOM 0 HD13 LEU A 68 3.802 3.594 -2.732 1.00 1.00 H new ATOM 0 HD21 LEU A 68 3.164 0.645 -2.248 1.00 1.00 H new ATOM 0 HD22 LEU A 68 1.993 1.975 -2.077 1.00 1.00 H new ATOM 0 HD23 LEU A 68 1.620 0.592 -3.133 1.00 1.00 H new ATOM 1097 N THR A 69 -0.538 1.490 -3.989 1.00 1.00 N ATOM 1098 CA THR A 69 -1.277 0.617 -3.095 1.00 1.00 C ATOM 1099 C THR A 69 -2.004 -0.428 -3.939 1.00 1.00 C ATOM 1100 O THR A 69 -1.735 -1.613 -3.771 1.00 1.00 O ATOM 1101 CB THR A 69 -2.181 1.449 -2.171 1.00 1.00 C ATOM 1102 OG1 THR A 69 -1.381 2.354 -1.446 1.00 1.00 O ATOM 1103 CG2 THR A 69 -2.940 0.613 -1.140 1.00 1.00 C ATOM 0 H THR A 69 -0.758 2.479 -3.869 1.00 1.00 H new ATOM 0 HA THR A 69 -0.617 0.072 -2.420 1.00 1.00 H new ATOM 0 HB THR A 69 -2.908 1.940 -2.819 1.00 1.00 H new ATOM 0 HG1 THR A 69 -1.272 3.180 -1.962 1.00 1.00 H new ATOM 0 HG21 THR A 69 -3.557 1.267 -0.524 1.00 1.00 H new ATOM 0 HG22 THR A 69 -3.576 -0.108 -1.653 1.00 1.00 H new ATOM 0 HG23 THR A 69 -2.229 0.083 -0.507 1.00 1.00 H new ATOM 1111 N ALA A 70 -2.824 -0.020 -4.911 1.00 1.00 N ATOM 1112 CA ALA A 70 -3.520 -0.944 -5.794 1.00 1.00 C ATOM 1113 C ALA A 70 -2.541 -1.827 -6.583 1.00 1.00 C ATOM 1114 O ALA A 70 -2.891 -2.961 -6.900 1.00 1.00 O ATOM 1115 CB ALA A 70 -4.371 -0.140 -6.794 1.00 1.00 C ATOM 0 H ALA A 70 -3.021 0.962 -5.104 1.00 1.00 H new ATOM 0 HA ALA A 70 -4.144 -1.590 -5.177 1.00 1.00 H new ATOM 0 HB1 ALA A 70 -4.896 -0.826 -7.459 1.00 1.00 H new ATOM 0 HB2 ALA A 70 -5.097 0.465 -6.250 1.00 1.00 H new ATOM 0 HB3 ALA A 70 -3.724 0.511 -7.381 1.00 1.00 H new ATOM 1121 N ASN A 71 -1.357 -1.330 -6.957 1.00 1.00 N ATOM 1122 CA ASN A 71 -0.370 -2.039 -7.779 1.00 1.00 C ATOM 1123 C ASN A 71 0.280 -3.166 -7.001 1.00 1.00 C ATOM 1124 O ASN A 71 0.318 -4.308 -7.442 1.00 1.00 O ATOM 1125 CB ASN A 71 0.762 -1.108 -8.238 1.00 1.00 C ATOM 1126 CG ASN A 71 1.680 -1.834 -9.214 1.00 1.00 C ATOM 1127 OD1 ASN A 71 1.222 -2.557 -10.094 1.00 1.00 O ATOM 1128 ND2 ASN A 71 2.986 -1.713 -9.050 1.00 1.00 N ATOM 0 H ASN A 71 -1.050 -0.395 -6.688 1.00 1.00 H new ATOM 0 HA ASN A 71 -0.918 -2.423 -8.639 1.00 1.00 H new ATOM 0 HB2 ASN A 71 0.343 -0.221 -8.713 1.00 1.00 H new ATOM 0 HB3 ASN A 71 1.334 -0.767 -7.375 1.00 1.00 H new ATOM 0 HD21 ASN A 71 3.626 -2.224 -9.658 1.00 1.00 H new ATOM 0 HD22 ASN A 71 3.354 -1.109 -8.315 1.00 1.00 H new ATOM 1135 N VAL A 72 0.831 -2.811 -5.850 1.00 1.00 N ATOM 1136 CA VAL A 72 1.431 -3.732 -4.893 1.00 1.00 C ATOM 1137 C VAL A 72 0.368 -4.756 -4.461 1.00 1.00 C ATOM 1138 O VAL A 72 0.638 -5.956 -4.468 1.00 1.00 O ATOM 1139 CB VAL A 72 2.047 -2.950 -3.714 1.00 1.00 C ATOM 1140 CG1 VAL A 72 2.662 -3.913 -2.692 1.00 1.00 C ATOM 1141 CG2 VAL A 72 3.153 -1.968 -4.158 1.00 1.00 C ATOM 0 H VAL A 72 0.875 -1.839 -5.545 1.00 1.00 H new ATOM 0 HA VAL A 72 2.254 -4.285 -5.347 1.00 1.00 H new ATOM 0 HB VAL A 72 1.228 -2.381 -3.275 1.00 1.00 H new ATOM 0 HG11 VAL A 72 3.091 -3.343 -1.868 1.00 1.00 H new ATOM 0 HG12 VAL A 72 1.889 -4.579 -2.309 1.00 1.00 H new ATOM 0 HG13 VAL A 72 3.443 -4.502 -3.172 1.00 1.00 H new ATOM 0 HG21 VAL A 72 3.548 -1.447 -3.286 1.00 1.00 H new ATOM 0 HG22 VAL A 72 3.956 -2.521 -4.646 1.00 1.00 H new ATOM 0 HG23 VAL A 72 2.736 -1.242 -4.856 1.00 1.00 H new ATOM 1151 N LEU A 73 -0.848 -4.306 -4.127 1.00 1.00 N ATOM 1152 CA LEU A 73 -1.974 -5.183 -3.809 1.00 1.00 C ATOM 1153 C LEU A 73 -2.185 -6.135 -4.990 1.00 1.00 C ATOM 1154 O LEU A 73 -2.222 -7.342 -4.799 1.00 1.00 O ATOM 1155 CB LEU A 73 -3.223 -4.334 -3.495 1.00 1.00 C ATOM 1156 CG LEU A 73 -3.251 -3.681 -2.093 1.00 1.00 C ATOM 1157 CD1 LEU A 73 -4.435 -2.712 -2.031 1.00 1.00 C ATOM 1158 CD2 LEU A 73 -3.374 -4.639 -0.906 1.00 1.00 C ATOM 0 H LEU A 73 -1.077 -3.314 -4.070 1.00 1.00 H new ATOM 0 HA LEU A 73 -1.773 -5.781 -2.920 1.00 1.00 H new ATOM 0 HB2 LEU A 73 -3.303 -3.547 -4.245 1.00 1.00 H new ATOM 0 HB3 LEU A 73 -4.105 -4.965 -3.600 1.00 1.00 H new ATOM 0 HG LEU A 73 -2.279 -3.198 -1.988 1.00 1.00 H new ATOM 0 HD11 LEU A 73 -4.470 -2.242 -1.048 1.00 1.00 H new ATOM 0 HD12 LEU A 73 -4.317 -1.945 -2.796 1.00 1.00 H new ATOM 0 HD13 LEU A 73 -5.362 -3.259 -2.205 1.00 1.00 H new ATOM 0 HD21 LEU A 73 -3.383 -4.068 0.023 1.00 1.00 H new ATOM 0 HD22 LEU A 73 -4.300 -5.208 -0.992 1.00 1.00 H new ATOM 0 HD23 LEU A 73 -2.526 -5.324 -0.902 1.00 1.00 H new ATOM 1170 N ARG A 74 -2.236 -5.637 -6.226 1.00 1.00 N ATOM 1171 CA ARG A 74 -2.324 -6.488 -7.412 1.00 1.00 C ATOM 1172 C ARG A 74 -1.140 -7.450 -7.514 1.00 1.00 C ATOM 1173 O ARG A 74 -1.355 -8.598 -7.890 1.00 1.00 O ATOM 1174 CB ARG A 74 -2.590 -5.624 -8.655 1.00 1.00 C ATOM 1175 CG ARG A 74 -2.934 -6.427 -9.917 1.00 1.00 C ATOM 1176 CD ARG A 74 -1.708 -6.858 -10.722 1.00 1.00 C ATOM 1177 NE ARG A 74 -0.992 -5.714 -11.299 1.00 1.00 N ATOM 1178 CZ ARG A 74 -0.053 -5.784 -12.244 1.00 1.00 C ATOM 1179 NH1 ARG A 74 0.403 -6.956 -12.675 1.00 1.00 N ATOM 1180 NH2 ARG A 74 0.397 -4.651 -12.766 1.00 1.00 N ATOM 0 H ARG A 74 -2.218 -4.638 -6.432 1.00 1.00 H new ATOM 0 HA ARG A 74 -3.182 -7.156 -7.328 1.00 1.00 H new ATOM 0 HB2 ARG A 74 -3.410 -4.939 -8.439 1.00 1.00 H new ATOM 0 HB3 ARG A 74 -1.709 -5.014 -8.855 1.00 1.00 H new ATOM 0 HG2 ARG A 74 -3.500 -7.313 -9.630 1.00 1.00 H new ATOM 0 HG3 ARG A 74 -3.583 -5.826 -10.554 1.00 1.00 H new ATOM 0 HD2 ARG A 74 -1.032 -7.420 -10.078 1.00 1.00 H new ATOM 0 HD3 ARG A 74 -2.019 -7.530 -11.522 1.00 1.00 H new ATOM 0 HE ARG A 74 -1.233 -4.787 -10.948 1.00 1.00 H new ATOM 0 HH11 ARG A 74 0.035 -7.822 -12.282 1.00 1.00 H new ATOM 0 HH12 ARG A 74 1.121 -6.989 -13.398 1.00 1.00 H new ATOM 0 HH21 ARG A 74 0.025 -3.758 -12.443 1.00 1.00 H new ATOM 0 HH22 ARG A 74 1.115 -4.673 -13.490 1.00 1.00 H new ATOM 1194 N ASP A 75 0.077 -7.059 -7.130 1.00 1.00 N ATOM 1195 CA ASP A 75 1.230 -7.955 -7.099 1.00 1.00 C ATOM 1196 C ASP A 75 1.010 -9.068 -6.066 1.00 1.00 C ATOM 1197 O ASP A 75 1.538 -10.171 -6.224 1.00 1.00 O ATOM 1198 CB ASP A 75 2.527 -7.186 -6.849 1.00 1.00 C ATOM 1199 CG ASP A 75 3.738 -8.088 -7.085 1.00 1.00 C ATOM 1200 OD1 ASP A 75 3.987 -8.487 -8.244 1.00 1.00 O ATOM 1201 OD2 ASP A 75 4.451 -8.437 -6.119 1.00 1.00 O ATOM 0 H ASP A 75 0.289 -6.107 -6.831 1.00 1.00 H new ATOM 0 HA ASP A 75 1.331 -8.424 -8.078 1.00 1.00 H new ATOM 0 HB2 ASP A 75 2.577 -6.320 -7.510 1.00 1.00 H new ATOM 0 HB3 ASP A 75 2.541 -6.808 -5.827 1.00 1.00 H new ATOM 1206 N MET A 76 0.223 -8.825 -5.007 1.00 1.00 N ATOM 1207 CA MET A 76 -0.151 -9.863 -4.033 1.00 1.00 C ATOM 1208 C MET A 76 -1.109 -10.887 -4.679 1.00 1.00 C ATOM 1209 O MET A 76 -1.392 -11.920 -4.071 1.00 1.00 O ATOM 1210 CB MET A 76 -0.834 -9.303 -2.762 1.00 1.00 C ATOM 1211 CG MET A 76 -0.042 -8.239 -2.002 1.00 1.00 C ATOM 1212 SD MET A 76 -0.864 -7.575 -0.526 1.00 1.00 S ATOM 1213 CE MET A 76 -0.616 -8.910 0.676 1.00 1.00 C ATOM 0 H MET A 76 -0.171 -7.907 -4.802 1.00 1.00 H new ATOM 0 HA MET A 76 0.786 -10.332 -3.732 1.00 1.00 H new ATOM 0 HB2 MET A 76 -1.798 -8.880 -3.045 1.00 1.00 H new ATOM 0 HB3 MET A 76 -1.037 -10.132 -2.085 1.00 1.00 H new ATOM 0 HG2 MET A 76 0.916 -8.665 -1.705 1.00 1.00 H new ATOM 0 HG3 MET A 76 0.173 -7.414 -2.681 1.00 1.00 H new ATOM 0 HE1 MET A 76 -0.809 -8.535 1.681 1.00 1.00 H new ATOM 0 HE2 MET A 76 -1.301 -9.729 0.457 1.00 1.00 H new ATOM 0 HE3 MET A 76 0.411 -9.270 0.614 1.00 1.00 H new ATOM 1223 N GLY A 77 -1.602 -10.651 -5.901 1.00 1.00 N ATOM 1224 CA GLY A 77 -2.592 -11.466 -6.602 1.00 1.00 C ATOM 1225 C GLY A 77 -3.971 -11.204 -6.009 1.00 1.00 C ATOM 1226 O GLY A 77 -4.647 -12.123 -5.550 1.00 1.00 O ATOM 0 H GLY A 77 -1.304 -9.846 -6.452 1.00 1.00 H new ATOM 0 HA2 GLY A 77 -2.589 -11.227 -7.665 1.00 1.00 H new ATOM 0 HA3 GLY A 77 -2.340 -12.523 -6.512 1.00 1.00 H new ATOM 1230 N LEU A 78 -4.360 -9.934 -5.956 1.00 1.00 N ATOM 1231 CA LEU A 78 -5.564 -9.398 -5.349 1.00 1.00 C ATOM 1232 C LEU A 78 -6.051 -8.322 -6.308 1.00 1.00 C ATOM 1233 O LEU A 78 -5.277 -7.456 -6.694 1.00 1.00 O ATOM 1234 CB LEU A 78 -5.145 -8.873 -3.962 1.00 1.00 C ATOM 1235 CG LEU A 78 -6.012 -7.856 -3.199 1.00 1.00 C ATOM 1236 CD1 LEU A 78 -5.204 -7.452 -1.961 1.00 1.00 C ATOM 1237 CD2 LEU A 78 -6.333 -6.550 -3.943 1.00 1.00 C ATOM 0 H LEU A 78 -3.791 -9.196 -6.372 1.00 1.00 H new ATOM 0 HA LEU A 78 -6.379 -10.105 -5.194 1.00 1.00 H new ATOM 0 HB2 LEU A 78 -5.030 -9.742 -3.314 1.00 1.00 H new ATOM 0 HB3 LEU A 78 -4.157 -8.427 -4.076 1.00 1.00 H new ATOM 0 HG LEU A 78 -6.967 -8.346 -3.013 1.00 1.00 H new ATOM 0 HD11 LEU A 78 -5.771 -6.728 -1.377 1.00 1.00 H new ATOM 0 HD12 LEU A 78 -5.006 -8.334 -1.352 1.00 1.00 H new ATOM 0 HD13 LEU A 78 -4.259 -7.007 -2.273 1.00 1.00 H new ATOM 0 HD21 LEU A 78 -6.948 -5.912 -3.309 1.00 1.00 H new ATOM 0 HD22 LEU A 78 -5.405 -6.033 -4.187 1.00 1.00 H new ATOM 0 HD23 LEU A 78 -6.873 -6.778 -4.862 1.00 1.00 H new ATOM 1249 N GLN A 79 -7.302 -8.370 -6.748 1.00 1.00 N ATOM 1250 CA GLN A 79 -7.861 -7.334 -7.613 1.00 1.00 C ATOM 1251 C GLN A 79 -9.086 -6.664 -6.997 1.00 1.00 C ATOM 1252 O GLN A 79 -9.387 -5.528 -7.353 1.00 1.00 O ATOM 1253 CB GLN A 79 -8.186 -7.917 -8.994 1.00 1.00 C ATOM 1254 CG GLN A 79 -9.070 -9.170 -8.918 1.00 1.00 C ATOM 1255 CD GLN A 79 -9.995 -9.264 -10.126 1.00 1.00 C ATOM 1256 OE1 GLN A 79 -9.552 -9.269 -11.268 1.00 1.00 O ATOM 1257 NE2 GLN A 79 -11.302 -9.265 -9.904 1.00 1.00 N ATOM 0 H GLN A 79 -7.954 -9.120 -6.519 1.00 1.00 H new ATOM 0 HA GLN A 79 -7.106 -6.557 -7.727 1.00 1.00 H new ATOM 0 HB2 GLN A 79 -8.689 -7.159 -9.594 1.00 1.00 H new ATOM 0 HB3 GLN A 79 -7.256 -8.164 -9.507 1.00 1.00 H new ATOM 0 HG2 GLN A 79 -8.442 -10.059 -8.867 1.00 1.00 H new ATOM 0 HG3 GLN A 79 -9.663 -9.146 -8.003 1.00 1.00 H new ATOM 0 HE21 GLN A 79 -11.657 -9.261 -8.948 1.00 1.00 H new ATOM 0 HE22 GLN A 79 -11.953 -9.270 -10.689 1.00 1.00 H new ATOM 1266 N GLU A 80 -9.775 -7.331 -6.070 1.00 1.00 N ATOM 1267 CA GLU A 80 -11.019 -6.850 -5.487 1.00 1.00 C ATOM 1268 C GLU A 80 -10.827 -5.491 -4.812 1.00 1.00 C ATOM 1269 O GLU A 80 -11.311 -4.469 -5.313 1.00 1.00 O ATOM 1270 CB GLU A 80 -11.606 -7.954 -4.590 1.00 1.00 C ATOM 1271 CG GLU A 80 -10.781 -8.386 -3.362 1.00 1.00 C ATOM 1272 CD GLU A 80 -11.163 -9.802 -2.933 1.00 1.00 C ATOM 1273 OE1 GLU A 80 -12.298 -10.002 -2.442 1.00 1.00 O ATOM 1274 OE2 GLU A 80 -10.384 -10.748 -3.193 1.00 1.00 O ATOM 0 H GLU A 80 -9.476 -8.234 -5.701 1.00 1.00 H new ATOM 0 HA GLU A 80 -11.761 -6.652 -6.260 1.00 1.00 H new ATOM 0 HB2 GLU A 80 -12.582 -7.619 -4.239 1.00 1.00 H new ATOM 0 HB3 GLU A 80 -11.775 -8.835 -5.208 1.00 1.00 H new ATOM 0 HG2 GLU A 80 -9.718 -8.345 -3.598 1.00 1.00 H new ATOM 0 HG3 GLU A 80 -10.952 -7.692 -2.539 1.00 1.00 H new ATOM 1281 N MET A 81 -10.034 -5.486 -3.741 1.00 1.00 N ATOM 1282 CA MET A 81 -9.697 -4.312 -2.963 1.00 1.00 C ATOM 1283 C MET A 81 -9.009 -3.290 -3.841 1.00 1.00 C ATOM 1284 O MET A 81 -9.442 -2.155 -3.850 1.00 1.00 O ATOM 1285 CB MET A 81 -8.888 -4.744 -1.742 1.00 1.00 C ATOM 1286 CG MET A 81 -8.690 -3.594 -0.769 1.00 1.00 C ATOM 1287 SD MET A 81 -9.605 -3.836 0.776 1.00 1.00 S ATOM 1288 CE MET A 81 -8.539 -5.076 1.546 1.00 1.00 C ATOM 0 H MET A 81 -9.596 -6.336 -3.385 1.00 1.00 H new ATOM 0 HA MET A 81 -10.591 -3.815 -2.585 1.00 1.00 H new ATOM 0 HB2 MET A 81 -9.399 -5.565 -1.238 1.00 1.00 H new ATOM 0 HB3 MET A 81 -7.917 -5.122 -2.063 1.00 1.00 H new ATOM 0 HG2 MET A 81 -7.628 -3.487 -0.547 1.00 1.00 H new ATOM 0 HG3 MET A 81 -9.012 -2.664 -1.238 1.00 1.00 H new ATOM 0 HE1 MET A 81 -9.086 -5.582 2.342 1.00 1.00 H new ATOM 0 HE2 MET A 81 -8.230 -5.805 0.797 1.00 1.00 H new ATOM 0 HE3 MET A 81 -7.658 -4.589 1.964 1.00 1.00 H new ATOM 1298 N ALA A 82 -8.026 -3.685 -4.647 1.00 1.00 N ATOM 1299 CA ALA A 82 -7.328 -2.777 -5.554 1.00 1.00 C ATOM 1300 C ALA A 82 -8.304 -2.009 -6.466 1.00 1.00 C ATOM 1301 O ALA A 82 -8.092 -0.820 -6.710 1.00 1.00 O ATOM 1302 CB ALA A 82 -6.317 -3.575 -6.386 1.00 1.00 C ATOM 0 H ALA A 82 -7.690 -4.647 -4.690 1.00 1.00 H new ATOM 0 HA ALA A 82 -6.804 -2.030 -4.958 1.00 1.00 H new ATOM 0 HB1 ALA A 82 -5.793 -2.902 -7.065 1.00 1.00 H new ATOM 0 HB2 ALA A 82 -5.597 -4.054 -5.722 1.00 1.00 H new ATOM 0 HB3 ALA A 82 -6.841 -4.337 -6.963 1.00 1.00 H new ATOM 1308 N GLY A 83 -9.383 -2.647 -6.929 1.00 1.00 N ATOM 1309 CA GLY A 83 -10.372 -2.000 -7.784 1.00 1.00 C ATOM 1310 C GLY A 83 -11.269 -1.040 -7.002 1.00 1.00 C ATOM 1311 O GLY A 83 -11.470 0.108 -7.423 1.00 1.00 O ATOM 0 H GLY A 83 -9.592 -3.623 -6.720 1.00 1.00 H new ATOM 0 HA2 GLY A 83 -9.862 -1.454 -8.578 1.00 1.00 H new ATOM 0 HA3 GLY A 83 -10.988 -2.760 -8.265 1.00 1.00 H new ATOM 1315 N GLN A 84 -11.821 -1.497 -5.869 1.00 1.00 N ATOM 1316 CA GLN A 84 -12.640 -0.634 -5.017 1.00 1.00 C ATOM 1317 C GLN A 84 -11.818 0.558 -4.540 1.00 1.00 C ATOM 1318 O GLN A 84 -12.278 1.683 -4.649 1.00 1.00 O ATOM 1319 CB GLN A 84 -13.229 -1.403 -3.825 1.00 1.00 C ATOM 1320 CG GLN A 84 -14.467 -2.207 -4.241 1.00 1.00 C ATOM 1321 CD GLN A 84 -15.237 -2.813 -3.066 1.00 1.00 C ATOM 1322 OE1 GLN A 84 -14.835 -2.753 -1.905 1.00 1.00 O ATOM 1323 NE2 GLN A 84 -16.388 -3.404 -3.321 1.00 1.00 N ATOM 0 H GLN A 84 -11.715 -2.452 -5.526 1.00 1.00 H new ATOM 0 HA GLN A 84 -13.479 -0.272 -5.611 1.00 1.00 H new ATOM 0 HB2 GLN A 84 -12.476 -2.076 -3.415 1.00 1.00 H new ATOM 0 HB3 GLN A 84 -13.496 -0.703 -3.033 1.00 1.00 H new ATOM 0 HG2 GLN A 84 -15.137 -1.558 -4.805 1.00 1.00 H new ATOM 0 HG3 GLN A 84 -14.159 -3.008 -4.913 1.00 1.00 H new ATOM 0 HE21 GLN A 84 -16.731 -3.460 -4.280 1.00 1.00 H new ATOM 0 HE22 GLN A 84 -16.935 -3.805 -2.559 1.00 1.00 H new ATOM 1332 N LEU A 85 -10.586 0.324 -4.098 1.00 1.00 N ATOM 1333 CA LEU A 85 -9.590 1.289 -3.661 1.00 1.00 C ATOM 1334 C LEU A 85 -9.359 2.360 -4.721 1.00 1.00 C ATOM 1335 O LEU A 85 -9.366 3.558 -4.423 1.00 1.00 O ATOM 1336 CB LEU A 85 -8.292 0.503 -3.417 1.00 1.00 C ATOM 1337 CG LEU A 85 -7.091 1.362 -3.031 1.00 1.00 C ATOM 1338 CD1 LEU A 85 -7.179 1.645 -1.552 1.00 1.00 C ATOM 1339 CD2 LEU A 85 -5.787 0.608 -3.256 1.00 1.00 C ATOM 0 H LEU A 85 -10.231 -0.630 -4.032 1.00 1.00 H new ATOM 0 HA LEU A 85 -9.926 1.799 -2.758 1.00 1.00 H new ATOM 0 HB2 LEU A 85 -8.468 -0.227 -2.627 1.00 1.00 H new ATOM 0 HB3 LEU A 85 -8.047 -0.056 -4.320 1.00 1.00 H new ATOM 0 HG LEU A 85 -7.102 2.269 -3.635 1.00 1.00 H new ATOM 0 HD11 LEU A 85 -6.331 2.259 -1.248 1.00 1.00 H new ATOM 0 HD12 LEU A 85 -8.107 2.176 -1.338 1.00 1.00 H new ATOM 0 HD13 LEU A 85 -7.163 0.705 -1.000 1.00 1.00 H new ATOM 0 HD21 LEU A 85 -4.947 1.242 -2.973 1.00 1.00 H new ATOM 0 HD22 LEU A 85 -5.780 -0.296 -2.648 1.00 1.00 H new ATOM 0 HD23 LEU A 85 -5.700 0.338 -4.308 1.00 1.00 H new ATOM 1351 N GLN A 86 -9.106 1.916 -5.954 1.00 1.00 N ATOM 1352 CA GLN A 86 -8.861 2.801 -7.075 1.00 1.00 C ATOM 1353 C GLN A 86 -10.047 3.743 -7.257 1.00 1.00 C ATOM 1354 O GLN A 86 -9.844 4.960 -7.253 1.00 1.00 O ATOM 1355 CB GLN A 86 -8.555 1.961 -8.319 1.00 1.00 C ATOM 1356 CG GLN A 86 -8.363 2.812 -9.577 1.00 1.00 C ATOM 1357 CD GLN A 86 -7.719 1.976 -10.670 1.00 1.00 C ATOM 1358 OE1 GLN A 86 -8.405 1.454 -11.546 1.00 1.00 O ATOM 1359 NE2 GLN A 86 -6.407 1.818 -10.634 1.00 1.00 N ATOM 0 H GLN A 86 -9.067 0.926 -6.195 1.00 1.00 H new ATOM 0 HA GLN A 86 -7.991 3.432 -6.891 1.00 1.00 H new ATOM 0 HB2 GLN A 86 -7.654 1.373 -8.142 1.00 1.00 H new ATOM 0 HB3 GLN A 86 -9.369 1.255 -8.484 1.00 1.00 H new ATOM 0 HG2 GLN A 86 -9.325 3.195 -9.918 1.00 1.00 H new ATOM 0 HG3 GLN A 86 -7.738 3.676 -9.351 1.00 1.00 H new ATOM 0 HE21 GLN A 86 -5.860 2.262 -9.896 1.00 1.00 H new ATOM 0 HE22 GLN A 86 -5.942 1.252 -11.344 1.00 1.00 H new ATOM 1368 N ALA A 87 -11.265 3.197 -7.376 1.00 1.00 N ATOM 1369 CA ALA A 87 -12.463 4.020 -7.533 1.00 1.00 C ATOM 1370 C ALA A 87 -12.709 4.896 -6.301 1.00 1.00 C ATOM 1371 O ALA A 87 -13.000 6.082 -6.426 1.00 1.00 O ATOM 1372 CB ALA A 87 -13.680 3.149 -7.831 1.00 1.00 C ATOM 0 H ALA A 87 -11.442 2.193 -7.366 1.00 1.00 H new ATOM 0 HA ALA A 87 -12.299 4.685 -8.381 1.00 1.00 H new ATOM 0 HB1 ALA A 87 -14.561 3.781 -7.944 1.00 1.00 H new ATOM 0 HB2 ALA A 87 -13.512 2.592 -8.753 1.00 1.00 H new ATOM 0 HB3 ALA A 87 -13.838 2.451 -7.009 1.00 1.00 H new ATOM 1378 N ALA A 88 -12.570 4.350 -5.095 1.00 1.00 N ATOM 1379 CA ALA A 88 -12.732 5.081 -3.849 1.00 1.00 C ATOM 1380 C ALA A 88 -11.813 6.301 -3.841 1.00 1.00 C ATOM 1381 O ALA A 88 -12.237 7.355 -3.372 1.00 1.00 O ATOM 1382 CB ALA A 88 -12.495 4.157 -2.655 1.00 1.00 C ATOM 0 H ALA A 88 -12.337 3.366 -4.958 1.00 1.00 H new ATOM 0 HA ALA A 88 -13.756 5.445 -3.766 1.00 1.00 H new ATOM 0 HB1 ALA A 88 -12.620 4.719 -1.730 1.00 1.00 H new ATOM 0 HB2 ALA A 88 -13.213 3.337 -2.681 1.00 1.00 H new ATOM 0 HB3 ALA A 88 -11.483 3.755 -2.701 1.00 1.00 H new ATOM 1388 N THR A 89 -10.602 6.200 -4.397 1.00 1.00 N ATOM 1389 CA THR A 89 -9.717 7.346 -4.535 1.00 1.00 C ATOM 1390 C THR A 89 -10.276 8.296 -5.589 1.00 1.00 C ATOM 1391 O THR A 89 -10.593 9.453 -5.316 1.00 1.00 O ATOM 1392 CB THR A 89 -8.272 6.914 -4.844 1.00 1.00 C ATOM 1393 OG1 THR A 89 -7.828 6.006 -3.856 1.00 1.00 O ATOM 1394 CG2 THR A 89 -7.345 8.144 -4.879 1.00 1.00 C ATOM 0 H THR A 89 -10.216 5.328 -4.759 1.00 1.00 H new ATOM 0 HA THR A 89 -9.674 7.878 -3.584 1.00 1.00 H new ATOM 0 HB THR A 89 -8.247 6.428 -5.820 1.00 1.00 H new ATOM 0 HG1 THR A 89 -8.293 5.150 -3.965 1.00 1.00 H new ATOM 0 HG21 THR A 89 -6.326 7.825 -5.098 1.00 1.00 H new ATOM 0 HG22 THR A 89 -7.684 8.833 -5.652 1.00 1.00 H new ATOM 0 HG23 THR A 89 -7.368 8.645 -3.911 1.00 1.00 H new