USER MOD reduce.3.24.130724 H: found=0, std=0, add=829, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 830 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 46 LYS NZ :NH3+ 175:sc= 0 (180deg=0) USER MOD Set 1.2: A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 15 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 19 SER OG : rot 88:sc= 0.472 USER MOD Set 2.3: A 66 TYR OH : rot 180:sc= -2.4! USER MOD Single : A 11 GLN : amide:sc= 0 K(o=0,f=-0.6) USER MOD Single : A 14 GLN : amide:sc= 0 X(o=0,f=-0.059) USER MOD Single : A 18 HIS : no HD1:sc= 0 X(o=0,f=-0.01) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 MET CE :methyl -148:sc= -0.362 (180deg=-2.72!) USER MOD Single : A 26 LYS NZ :NH3+ -149:sc= 0 (180deg=-0.357) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 100:sc= 0 USER MOD Single : A 32 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 ASN : amide:sc= -1.71 K(o=-1.7,f=-2.8) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 70 MET CE :methyl -174:sc= -4.28! (180deg=-4.4!) USER MOD Single : A 72 ASN : amide:sc= 0.0236 X(o=0.024,f=0) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 ASN : amide:sc= -0.0148 X(o=-0.015,f=-0.027) USER MOD Single : A 79 ASN : amide:sc= -0.739 K(o=-0.74,f=-2.5!) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 THR OG1 : rot 180:sc= -0.895 USER MOD Single : A 94 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 98 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 99 SER OG : rot 180:sc= 0.0532 USER MOD ----------------------------------------------------------------- ATOM 77 N ALA A 9 -8.786 15.468 1.064 1.00 0.00 N ATOM 78 CA ALA A 9 -7.673 14.529 1.001 1.00 0.00 C ATOM 79 C ALA A 9 -7.911 13.333 1.917 1.00 0.00 C ATOM 80 O ALA A 9 -7.626 12.193 1.551 1.00 0.00 O ATOM 81 CB ALA A 9 -6.372 15.226 1.369 1.00 0.00 C ATOM 0 HA ALA A 9 -7.599 14.161 -0.022 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -5.550 14.512 1.318 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -6.187 16.043 0.672 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -6.445 15.623 2.382 1.00 0.00 H new ATOM 87 N ASP A 10 -8.435 13.601 3.107 1.00 0.00 N ATOM 88 CA ASP A 10 -8.713 12.546 4.076 1.00 0.00 C ATOM 89 C ASP A 10 -9.506 11.413 3.433 1.00 0.00 C ATOM 90 O ASP A 10 -9.068 10.263 3.425 1.00 0.00 O ATOM 91 CB ASP A 10 -9.483 13.111 5.271 1.00 0.00 C ATOM 92 CG ASP A 10 -10.590 14.057 4.851 1.00 0.00 C ATOM 93 OD1 ASP A 10 -11.662 13.569 4.437 1.00 0.00 O ATOM 94 OD2 ASP A 10 -10.384 15.287 4.935 1.00 0.00 O ATOM 0 H ASP A 10 -8.676 14.540 3.425 1.00 0.00 H new ATOM 0 HA ASP A 10 -7.761 12.146 4.424 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -9.910 12.289 5.846 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -8.791 13.636 5.930 1.00 0.00 H new ATOM 99 N GLN A 11 -10.676 11.747 2.897 1.00 0.00 N ATOM 100 CA GLN A 11 -11.531 10.756 2.254 1.00 0.00 C ATOM 101 C GLN A 11 -10.762 9.983 1.188 1.00 0.00 C ATOM 102 O GLN A 11 -10.707 8.753 1.219 1.00 0.00 O ATOM 103 CB GLN A 11 -12.751 11.435 1.627 1.00 0.00 C ATOM 104 CG GLN A 11 -13.832 10.459 1.190 1.00 0.00 C ATOM 105 CD GLN A 11 -14.994 11.146 0.501 1.00 0.00 C ATOM 106 OE1 GLN A 11 -15.276 12.318 0.755 1.00 0.00 O ATOM 107 NE2 GLN A 11 -15.676 10.420 -0.376 1.00 0.00 N ATOM 0 H GLN A 11 -11.053 12.695 2.895 1.00 0.00 H new ATOM 0 HA GLN A 11 -11.866 10.053 3.016 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -13.175 12.137 2.345 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -12.429 12.018 0.764 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -13.399 9.721 0.515 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -14.200 9.917 2.061 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -15.407 9.453 -0.556 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -16.469 10.830 -0.870 1.00 0.00 H new ATOM 116 N ILE A 12 -10.170 10.711 0.247 1.00 0.00 N ATOM 117 CA ILE A 12 -9.403 10.092 -0.827 1.00 0.00 C ATOM 118 C ILE A 12 -8.387 9.098 -0.276 1.00 0.00 C ATOM 119 O ILE A 12 -8.474 7.898 -0.536 1.00 0.00 O ATOM 120 CB ILE A 12 -8.666 11.148 -1.672 1.00 0.00 C ATOM 121 CG1 ILE A 12 -9.658 11.921 -2.543 1.00 0.00 C ATOM 122 CG2 ILE A 12 -7.600 10.486 -2.533 1.00 0.00 C ATOM 123 CD1 ILE A 12 -9.120 13.242 -3.046 1.00 0.00 C ATOM 0 H ILE A 12 -10.207 11.730 0.207 1.00 0.00 H new ATOM 0 HA ILE A 12 -10.116 9.564 -1.460 1.00 0.00 H new ATOM 0 HB ILE A 12 -8.177 11.853 -1.000 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -9.938 11.303 -3.396 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -10.567 12.103 -1.970 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -7.087 11.244 -3.125 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -6.879 9.977 -1.893 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -8.069 9.762 -3.199 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -9.877 13.735 -3.656 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -8.867 13.878 -2.198 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -8.228 13.066 -3.647 1.00 0.00 H new ATOM 135 N ARG A 13 -7.426 9.605 0.489 1.00 0.00 N ATOM 136 CA ARG A 13 -6.393 8.762 1.078 1.00 0.00 C ATOM 137 C ARG A 13 -7.012 7.562 1.790 1.00 0.00 C ATOM 138 O ARG A 13 -6.567 6.428 1.615 1.00 0.00 O ATOM 139 CB ARG A 13 -5.544 9.570 2.061 1.00 0.00 C ATOM 140 CG ARG A 13 -4.603 10.554 1.387 1.00 0.00 C ATOM 141 CD ARG A 13 -3.883 11.423 2.406 1.00 0.00 C ATOM 142 NE ARG A 13 -2.825 10.692 3.099 1.00 0.00 N ATOM 143 CZ ARG A 13 -3.037 9.927 4.164 1.00 0.00 C ATOM 144 NH1 ARG A 13 -4.261 9.794 4.656 1.00 0.00 N ATOM 145 NH2 ARG A 13 -2.023 9.294 4.739 1.00 0.00 N ATOM 0 H ARG A 13 -7.341 10.596 0.715 1.00 0.00 H new ATOM 0 HA ARG A 13 -5.755 8.396 0.274 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -6.204 10.115 2.735 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -4.960 8.883 2.673 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -3.872 10.009 0.790 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -5.166 11.187 0.701 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -3.455 12.291 1.904 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -4.602 11.798 3.135 1.00 0.00 H new ATOM 0 HE ARG A 13 -1.872 10.773 2.746 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -5.043 10.280 4.217 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -4.421 9.206 5.474 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -1.080 9.395 4.363 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -2.186 8.707 5.557 1.00 0.00 H new ATOM 159 N GLN A 14 -8.039 7.822 2.592 1.00 0.00 N ATOM 160 CA GLN A 14 -8.717 6.764 3.331 1.00 0.00 C ATOM 161 C GLN A 14 -9.209 5.670 2.388 1.00 0.00 C ATOM 162 O GLN A 14 -8.889 4.495 2.564 1.00 0.00 O ATOM 163 CB GLN A 14 -9.893 7.338 4.123 1.00 0.00 C ATOM 164 CG GLN A 14 -10.654 6.295 4.925 1.00 0.00 C ATOM 165 CD GLN A 14 -11.545 6.911 5.986 1.00 0.00 C ATOM 166 OE1 GLN A 14 -11.082 7.667 6.840 1.00 0.00 O ATOM 167 NE2 GLN A 14 -12.833 6.590 5.936 1.00 0.00 N ATOM 0 H GLN A 14 -8.420 8.756 2.747 1.00 0.00 H new ATOM 0 HA GLN A 14 -8.001 6.325 4.025 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -9.523 8.107 4.801 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -10.581 7.827 3.433 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -11.263 5.695 4.249 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -9.944 5.618 5.400 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -13.174 5.959 5.210 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -13.481 6.974 6.623 1.00 0.00 H new ATOM 176 N SER A 15 -9.989 6.066 1.387 1.00 0.00 N ATOM 177 CA SER A 15 -10.529 5.119 0.418 1.00 0.00 C ATOM 178 C SER A 15 -9.432 4.204 -0.116 1.00 0.00 C ATOM 179 O SER A 15 -9.635 3.000 -0.277 1.00 0.00 O ATOM 180 CB SER A 15 -11.195 5.865 -0.739 1.00 0.00 C ATOM 181 OG SER A 15 -11.675 4.962 -1.719 1.00 0.00 O ATOM 0 H SER A 15 -10.261 7.036 1.226 1.00 0.00 H new ATOM 0 HA SER A 15 -11.276 4.506 0.923 1.00 0.00 H new ATOM 0 HB2 SER A 15 -12.020 6.468 -0.360 1.00 0.00 H new ATOM 0 HB3 SER A 15 -10.480 6.552 -1.192 1.00 0.00 H new ATOM 0 HG SER A 15 -12.098 5.464 -2.447 1.00 0.00 H new ATOM 187 N VAL A 16 -8.267 4.783 -0.389 1.00 0.00 N ATOM 188 CA VAL A 16 -7.136 4.021 -0.904 1.00 0.00 C ATOM 189 C VAL A 16 -6.828 2.823 -0.012 1.00 0.00 C ATOM 190 O VAL A 16 -6.663 1.703 -0.495 1.00 0.00 O ATOM 191 CB VAL A 16 -5.874 4.897 -1.020 1.00 0.00 C ATOM 192 CG1 VAL A 16 -4.684 4.063 -1.468 1.00 0.00 C ATOM 193 CG2 VAL A 16 -6.116 6.054 -1.978 1.00 0.00 C ATOM 0 H VAL A 16 -8.082 5.778 -0.262 1.00 0.00 H new ATOM 0 HA VAL A 16 -7.418 3.669 -1.896 1.00 0.00 H new ATOM 0 HB VAL A 16 -5.647 5.310 -0.037 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -3.802 4.699 -1.544 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -4.499 3.272 -0.741 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -4.896 3.619 -2.441 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -5.215 6.663 -2.048 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -6.368 5.663 -2.964 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -6.939 6.666 -1.609 1.00 0.00 H new ATOM 203 N ARG A 17 -6.753 3.067 1.292 1.00 0.00 N ATOM 204 CA ARG A 17 -6.465 2.009 2.252 1.00 0.00 C ATOM 205 C ARG A 17 -7.474 0.871 2.126 1.00 0.00 C ATOM 206 O ARG A 17 -7.142 -0.217 1.654 1.00 0.00 O ATOM 207 CB ARG A 17 -6.484 2.565 3.678 1.00 0.00 C ATOM 208 CG ARG A 17 -5.452 3.655 3.919 1.00 0.00 C ATOM 209 CD ARG A 17 -4.992 3.674 5.369 1.00 0.00 C ATOM 210 NE ARG A 17 -4.491 4.987 5.766 1.00 0.00 N ATOM 211 CZ ARG A 17 -5.278 6.015 6.061 1.00 0.00 C ATOM 212 NH1 ARG A 17 -6.596 5.884 6.005 1.00 0.00 N ATOM 213 NH2 ARG A 17 -4.747 7.179 6.415 1.00 0.00 N ATOM 0 H ARG A 17 -6.888 3.989 1.708 1.00 0.00 H new ATOM 0 HA ARG A 17 -5.471 1.617 2.035 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -7.476 2.962 3.891 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -6.310 1.749 4.380 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -4.594 3.496 3.266 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -5.877 4.624 3.658 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -5.822 3.392 6.017 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -4.209 2.929 5.511 1.00 0.00 H new ATOM 0 HE ARG A 17 -3.481 5.122 5.820 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -7.009 4.991 5.735 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -7.197 6.676 6.232 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -3.733 7.284 6.461 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -5.353 7.968 6.641 1.00 0.00 H new ATOM 227 N HIS A 18 -8.706 1.129 2.551 1.00 0.00 N ATOM 228 CA HIS A 18 -9.764 0.126 2.486 1.00 0.00 C ATOM 229 C HIS A 18 -9.780 -0.557 1.122 1.00 0.00 C ATOM 230 O HIS A 18 -9.625 -1.774 1.025 1.00 0.00 O ATOM 231 CB HIS A 18 -11.123 0.769 2.764 1.00 0.00 C ATOM 232 CG HIS A 18 -12.214 -0.225 3.022 1.00 0.00 C ATOM 233 ND1 HIS A 18 -13.350 -0.313 2.245 1.00 0.00 N ATOM 234 CD2 HIS A 18 -12.336 -1.177 3.975 1.00 0.00 C ATOM 235 CE1 HIS A 18 -14.125 -1.276 2.712 1.00 0.00 C ATOM 236 NE2 HIS A 18 -13.533 -1.816 3.761 1.00 0.00 N ATOM 0 H HIS A 18 -8.997 2.024 2.944 1.00 0.00 H new ATOM 0 HA HIS A 18 -9.565 -0.627 3.248 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -11.034 1.430 3.626 1.00 0.00 H new ATOM 0 HB3 HIS A 18 -11.403 1.391 1.913 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -11.625 -1.394 4.758 1.00 0.00 H new ATOM 0 HE1 HIS A 18 -15.081 -1.571 2.305 1.00 0.00 H new ATOM 0 HE2 HIS A 18 -13.904 -2.583 4.322 1.00 0.00 H new ATOM 245 N SER A 19 -9.970 0.234 0.071 1.00 0.00 N ATOM 246 CA SER A 19 -10.011 -0.295 -1.287 1.00 0.00 C ATOM 247 C SER A 19 -8.991 -1.416 -1.465 1.00 0.00 C ATOM 248 O SER A 19 -9.347 -2.549 -1.792 1.00 0.00 O ATOM 249 CB SER A 19 -9.742 0.819 -2.300 1.00 0.00 C ATOM 250 OG SER A 19 -10.874 1.660 -2.445 1.00 0.00 O ATOM 0 H SER A 19 -10.098 1.244 0.134 1.00 0.00 H new ATOM 0 HA SER A 19 -11.007 -0.702 -1.461 1.00 0.00 H new ATOM 0 HB2 SER A 19 -8.885 1.410 -1.977 1.00 0.00 H new ATOM 0 HB3 SER A 19 -9.483 0.383 -3.265 1.00 0.00 H new ATOM 0 HG SER A 19 -10.837 2.376 -1.777 1.00 0.00 H new ATOM 256 N LEU A 20 -7.722 -1.092 -1.246 1.00 0.00 N ATOM 257 CA LEU A 20 -6.648 -2.070 -1.382 1.00 0.00 C ATOM 258 C LEU A 20 -6.923 -3.302 -0.526 1.00 0.00 C ATOM 259 O LEU A 20 -7.134 -4.398 -1.045 1.00 0.00 O ATOM 260 CB LEU A 20 -5.310 -1.446 -0.983 1.00 0.00 C ATOM 261 CG LEU A 20 -4.754 -0.385 -1.934 1.00 0.00 C ATOM 262 CD1 LEU A 20 -3.689 0.449 -1.239 1.00 0.00 C ATOM 263 CD2 LEU A 20 -4.190 -1.036 -3.188 1.00 0.00 C ATOM 0 H LEU A 20 -7.411 -0.160 -0.973 1.00 0.00 H new ATOM 0 HA LEU A 20 -6.601 -2.379 -2.426 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -5.421 -0.998 0.004 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -4.573 -2.244 -0.890 1.00 0.00 H new ATOM 0 HG LEU A 20 -5.570 0.276 -2.227 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -3.305 1.199 -1.931 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -4.124 0.945 -0.371 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -2.874 -0.198 -0.916 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -3.799 -0.266 -3.853 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -3.387 -1.720 -2.913 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -4.979 -1.589 -3.697 1.00 0.00 H new ATOM 275 N LYS A 21 -6.922 -3.114 0.790 1.00 0.00 N ATOM 276 CA LYS A 21 -7.174 -4.209 1.720 1.00 0.00 C ATOM 277 C LYS A 21 -8.395 -5.017 1.290 1.00 0.00 C ATOM 278 O LYS A 21 -8.493 -6.210 1.577 1.00 0.00 O ATOM 279 CB LYS A 21 -7.381 -3.665 3.135 1.00 0.00 C ATOM 280 CG LYS A 21 -7.319 -4.734 4.212 1.00 0.00 C ATOM 281 CD LYS A 21 -7.627 -4.160 5.586 1.00 0.00 C ATOM 282 CE LYS A 21 -9.105 -3.838 5.736 1.00 0.00 C ATOM 283 NZ LYS A 21 -9.375 -3.032 6.959 1.00 0.00 N ATOM 0 H LYS A 21 -6.749 -2.213 1.236 1.00 0.00 H new ATOM 0 HA LYS A 21 -6.305 -4.866 1.714 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -6.622 -2.910 3.340 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -8.349 -3.166 3.185 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -8.030 -5.527 3.980 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -6.328 -5.187 4.220 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -7.329 -4.873 6.355 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -7.039 -3.256 5.744 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -9.449 -3.292 4.858 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -9.676 -4.765 5.778 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -10.394 -2.833 7.026 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -9.070 -3.564 7.799 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -8.850 -2.136 6.907 1.00 0.00 H new ATOM 297 N ASP A 22 -9.321 -4.359 0.601 1.00 0.00 N ATOM 298 CA ASP A 22 -10.534 -5.018 0.130 1.00 0.00 C ATOM 299 C ASP A 22 -10.199 -6.134 -0.854 1.00 0.00 C ATOM 300 O ASP A 22 -10.643 -7.271 -0.691 1.00 0.00 O ATOM 301 CB ASP A 22 -11.467 -4.002 -0.531 1.00 0.00 C ATOM 302 CG ASP A 22 -12.926 -4.398 -0.419 1.00 0.00 C ATOM 303 OD1 ASP A 22 -13.447 -4.433 0.716 1.00 0.00 O ATOM 304 OD2 ASP A 22 -13.549 -4.671 -1.466 1.00 0.00 O ATOM 0 H ASP A 22 -9.255 -3.371 0.356 1.00 0.00 H new ATOM 0 HA ASP A 22 -11.038 -5.457 0.991 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -11.322 -3.026 -0.069 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -11.201 -3.899 -1.583 1.00 0.00 H new ATOM 309 N ILE A 23 -9.415 -5.802 -1.874 1.00 0.00 N ATOM 310 CA ILE A 23 -9.022 -6.777 -2.883 1.00 0.00 C ATOM 311 C ILE A 23 -8.167 -7.884 -2.274 1.00 0.00 C ATOM 312 O ILE A 23 -8.480 -9.068 -2.405 1.00 0.00 O ATOM 313 CB ILE A 23 -8.240 -6.114 -4.032 1.00 0.00 C ATOM 314 CG1 ILE A 23 -9.189 -5.322 -4.933 1.00 0.00 C ATOM 315 CG2 ILE A 23 -7.489 -7.164 -4.837 1.00 0.00 C ATOM 316 CD1 ILE A 23 -8.476 -4.431 -5.927 1.00 0.00 C ATOM 0 H ILE A 23 -9.040 -4.865 -2.023 1.00 0.00 H new ATOM 0 HA ILE A 23 -9.941 -7.207 -3.281 1.00 0.00 H new ATOM 0 HB ILE A 23 -7.513 -5.423 -3.606 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -9.828 -6.019 -5.475 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -9.841 -4.709 -4.311 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -6.941 -6.680 -5.645 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -6.788 -7.688 -4.187 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -8.199 -7.877 -5.256 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -9.211 -3.900 -6.532 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -7.858 -3.710 -5.392 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -7.845 -5.040 -6.574 1.00 0.00 H new ATOM 328 N LEU A 24 -7.088 -7.491 -1.607 1.00 0.00 N ATOM 329 CA LEU A 24 -6.188 -8.450 -0.975 1.00 0.00 C ATOM 330 C LEU A 24 -6.925 -9.283 0.069 1.00 0.00 C ATOM 331 O LEU A 24 -6.448 -10.338 0.484 1.00 0.00 O ATOM 332 CB LEU A 24 -5.010 -7.722 -0.325 1.00 0.00 C ATOM 333 CG LEU A 24 -4.264 -6.726 -1.213 1.00 0.00 C ATOM 334 CD1 LEU A 24 -3.441 -5.768 -0.366 1.00 0.00 C ATOM 335 CD2 LEU A 24 -3.376 -7.460 -2.208 1.00 0.00 C ATOM 0 H LEU A 24 -6.815 -6.515 -1.490 1.00 0.00 H new ATOM 0 HA LEU A 24 -5.811 -9.121 -1.747 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -5.377 -7.191 0.553 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -4.298 -8.468 0.028 1.00 0.00 H new ATOM 0 HG LEU A 24 -4.998 -6.145 -1.771 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -2.917 -5.067 -1.015 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -4.100 -5.218 0.306 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -2.715 -6.332 0.220 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -2.853 -6.736 -2.832 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -2.649 -8.067 -1.668 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -3.990 -8.104 -2.837 1.00 0.00 H new ATOM 347 N MET A 25 -8.091 -8.801 0.487 1.00 0.00 N ATOM 348 CA MET A 25 -8.896 -9.503 1.480 1.00 0.00 C ATOM 349 C MET A 25 -9.711 -10.617 0.830 1.00 0.00 C ATOM 350 O MET A 25 -9.953 -11.659 1.439 1.00 0.00 O ATOM 351 CB MET A 25 -9.829 -8.524 2.196 1.00 0.00 C ATOM 352 CG MET A 25 -9.212 -7.893 3.434 1.00 0.00 C ATOM 353 SD MET A 25 -9.491 -8.869 4.924 1.00 0.00 S ATOM 354 CE MET A 25 -7.808 -9.262 5.392 1.00 0.00 C ATOM 0 H MET A 25 -8.499 -7.928 0.154 1.00 0.00 H new ATOM 0 HA MET A 25 -8.220 -9.949 2.210 1.00 0.00 H new ATOM 0 HB2 MET A 25 -10.117 -7.735 1.501 1.00 0.00 H new ATOM 0 HB3 MET A 25 -10.742 -9.047 2.481 1.00 0.00 H new ATOM 0 HG2 MET A 25 -8.140 -7.772 3.279 1.00 0.00 H new ATOM 0 HG3 MET A 25 -9.628 -6.896 3.575 1.00 0.00 H new ATOM 0 HE1 MET A 25 -7.783 -10.239 5.875 1.00 0.00 H new ATOM 0 HE2 MET A 25 -7.178 -9.281 4.503 1.00 0.00 H new ATOM 0 HE3 MET A 25 -7.436 -8.506 6.083 1.00 0.00 H new ATOM 364 N LYS A 26 -10.131 -10.391 -0.409 1.00 0.00 N ATOM 365 CA LYS A 26 -10.918 -11.375 -1.143 1.00 0.00 C ATOM 366 C LYS A 26 -10.020 -12.261 -2.000 1.00 0.00 C ATOM 367 O LYS A 26 -10.417 -13.351 -2.411 1.00 0.00 O ATOM 368 CB LYS A 26 -11.954 -10.676 -2.025 1.00 0.00 C ATOM 369 CG LYS A 26 -12.520 -11.564 -3.120 1.00 0.00 C ATOM 370 CD LYS A 26 -11.663 -11.517 -4.374 1.00 0.00 C ATOM 371 CE LYS A 26 -12.089 -10.387 -5.298 1.00 0.00 C ATOM 372 NZ LYS A 26 -11.724 -10.662 -6.716 1.00 0.00 N ATOM 0 H LYS A 26 -9.939 -9.534 -0.927 1.00 0.00 H new ATOM 0 HA LYS A 26 -11.433 -12.004 -0.417 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -12.772 -10.321 -1.398 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -11.497 -9.798 -2.481 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -12.584 -12.591 -2.760 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -13.535 -11.246 -3.359 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -10.617 -11.387 -4.096 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -11.737 -12.468 -4.902 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -13.167 -10.242 -5.222 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -11.619 -9.458 -4.976 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -11.529 -9.765 -7.205 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -10.876 -11.264 -6.746 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -12.511 -11.150 -7.189 1.00 0.00 H new ATOM 386 N ARG A 27 -8.807 -11.786 -2.265 1.00 0.00 N ATOM 387 CA ARG A 27 -7.852 -12.535 -3.073 1.00 0.00 C ATOM 388 C ARG A 27 -7.055 -13.508 -2.209 1.00 0.00 C ATOM 389 O ARG A 27 -6.490 -14.480 -2.711 1.00 0.00 O ATOM 390 CB ARG A 27 -6.901 -11.578 -3.794 1.00 0.00 C ATOM 391 CG ARG A 27 -7.595 -10.666 -4.792 1.00 0.00 C ATOM 392 CD ARG A 27 -7.934 -11.404 -6.078 1.00 0.00 C ATOM 393 NE ARG A 27 -6.787 -11.493 -6.977 1.00 0.00 N ATOM 394 CZ ARG A 27 -6.817 -12.124 -8.146 1.00 0.00 C ATOM 395 NH1 ARG A 27 -7.930 -12.716 -8.555 1.00 0.00 N ATOM 396 NH2 ARG A 27 -5.732 -12.161 -8.909 1.00 0.00 N ATOM 0 H ARG A 27 -8.462 -10.886 -1.932 1.00 0.00 H new ATOM 0 HA ARG A 27 -8.410 -13.108 -3.814 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -6.385 -10.966 -3.054 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -6.140 -12.159 -4.314 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -8.507 -10.267 -4.349 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -6.952 -9.815 -5.018 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -8.285 -12.408 -5.838 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -8.753 -10.892 -6.584 1.00 0.00 H new ATOM 0 HE ARG A 27 -5.915 -11.047 -6.692 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -8.766 -12.688 -7.972 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -7.950 -13.200 -9.453 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -4.874 -11.705 -8.598 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -5.756 -12.646 -9.806 1.00 0.00 H new ATOM 410 N LEU A 28 -7.013 -13.239 -0.909 1.00 0.00 N ATOM 411 CA LEU A 28 -6.284 -14.090 0.025 1.00 0.00 C ATOM 412 C LEU A 28 -7.196 -15.168 0.604 1.00 0.00 C ATOM 413 O LEU A 28 -6.756 -16.283 0.887 1.00 0.00 O ATOM 414 CB LEU A 28 -5.689 -13.249 1.155 1.00 0.00 C ATOM 415 CG LEU A 28 -6.588 -13.025 2.371 1.00 0.00 C ATOM 416 CD1 LEU A 28 -6.633 -14.273 3.239 1.00 0.00 C ATOM 417 CD2 LEU A 28 -6.105 -11.829 3.178 1.00 0.00 C ATOM 0 H LEU A 28 -7.475 -12.438 -0.478 1.00 0.00 H new ATOM 0 HA LEU A 28 -5.476 -14.577 -0.521 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -4.769 -13.728 1.492 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -5.412 -12.276 0.749 1.00 0.00 H new ATOM 0 HG LEU A 28 -7.598 -12.816 2.018 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -7.278 -14.095 4.100 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -7.027 -15.107 2.657 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -5.627 -14.513 3.583 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -6.757 -11.684 4.040 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -5.086 -12.008 3.520 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -6.126 -10.936 2.553 1.00 0.00 H new ATOM 429 N THR A 29 -8.469 -14.828 0.777 1.00 0.00 N ATOM 430 CA THR A 29 -9.443 -15.766 1.321 1.00 0.00 C ATOM 431 C THR A 29 -9.735 -16.891 0.334 1.00 0.00 C ATOM 432 O THR A 29 -9.991 -18.027 0.731 1.00 0.00 O ATOM 433 CB THR A 29 -10.763 -15.059 1.681 1.00 0.00 C ATOM 434 OG1 THR A 29 -11.695 -16.005 2.219 1.00 0.00 O ATOM 435 CG2 THR A 29 -11.367 -14.385 0.459 1.00 0.00 C ATOM 0 H THR A 29 -8.850 -13.910 0.548 1.00 0.00 H new ATOM 0 HA THR A 29 -9.005 -16.186 2.227 1.00 0.00 H new ATOM 0 HB THR A 29 -10.548 -14.295 2.429 1.00 0.00 H new ATOM 0 HG1 THR A 29 -12.531 -15.547 2.447 1.00 0.00 H new ATOM 0 HG21 THR A 29 -12.298 -13.893 0.738 1.00 0.00 H new ATOM 0 HG22 THR A 29 -10.668 -13.645 0.069 1.00 0.00 H new ATOM 0 HG23 THR A 29 -11.568 -15.134 -0.307 1.00 0.00 H new ATOM 443 N ASP A 30 -9.694 -16.566 -0.954 1.00 0.00 N ATOM 444 CA ASP A 30 -9.952 -17.550 -1.999 1.00 0.00 C ATOM 445 C ASP A 30 -8.764 -18.492 -2.164 1.00 0.00 C ATOM 446 O ASP A 30 -8.935 -19.691 -2.386 1.00 0.00 O ATOM 447 CB ASP A 30 -10.252 -16.850 -3.325 1.00 0.00 C ATOM 448 CG ASP A 30 -10.551 -17.830 -4.443 1.00 0.00 C ATOM 449 OD1 ASP A 30 -11.659 -18.407 -4.445 1.00 0.00 O ATOM 450 OD2 ASP A 30 -9.677 -18.022 -5.314 1.00 0.00 O ATOM 0 H ASP A 30 -9.485 -15.629 -1.299 1.00 0.00 H new ATOM 0 HA ASP A 30 -10.820 -18.139 -1.703 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -11.103 -16.181 -3.195 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -9.400 -16.231 -3.607 1.00 0.00 H new ATOM 455 N SER A 31 -7.559 -17.942 -2.055 1.00 0.00 N ATOM 456 CA SER A 31 -6.341 -18.732 -2.197 1.00 0.00 C ATOM 457 C SER A 31 -6.020 -19.473 -0.903 1.00 0.00 C ATOM 458 O SER A 31 -6.618 -19.210 0.140 1.00 0.00 O ATOM 459 CB SER A 31 -5.167 -17.832 -2.588 1.00 0.00 C ATOM 460 OG SER A 31 -5.287 -17.392 -3.929 1.00 0.00 O ATOM 0 H SER A 31 -7.400 -16.952 -1.869 1.00 0.00 H new ATOM 0 HA SER A 31 -6.504 -19.467 -2.985 1.00 0.00 H new ATOM 0 HB2 SER A 31 -5.127 -16.970 -1.921 1.00 0.00 H new ATOM 0 HB3 SER A 31 -4.230 -18.375 -2.463 1.00 0.00 H new ATOM 0 HG SER A 31 -5.649 -16.481 -3.943 1.00 0.00 H new ATOM 466 N ASN A 32 -5.073 -20.401 -0.979 1.00 0.00 N ATOM 467 CA ASN A 32 -4.671 -21.182 0.185 1.00 0.00 C ATOM 468 C ASN A 32 -3.728 -20.382 1.078 1.00 0.00 C ATOM 469 O ASN A 32 -2.666 -20.867 1.471 1.00 0.00 O ATOM 470 CB ASN A 32 -3.995 -22.482 -0.254 1.00 0.00 C ATOM 471 CG ASN A 32 -4.985 -23.492 -0.802 1.00 0.00 C ATOM 472 OD1 ASN A 32 -5.219 -23.558 -2.009 1.00 0.00 O ATOM 473 ND2 ASN A 32 -5.571 -24.287 0.086 1.00 0.00 N ATOM 0 H ASN A 32 -4.569 -20.631 -1.835 1.00 0.00 H new ATOM 0 HA ASN A 32 -5.568 -21.422 0.756 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -3.247 -22.260 -1.015 1.00 0.00 H new ATOM 0 HB3 ASN A 32 -3.467 -22.918 0.594 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -6.245 -24.987 -0.223 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -5.347 -24.197 1.077 1.00 0.00 H new ATOM 480 N LEU A 33 -4.123 -19.154 1.396 1.00 0.00 N ATOM 481 CA LEU A 33 -3.314 -18.285 2.243 1.00 0.00 C ATOM 482 C LEU A 33 -3.873 -18.233 3.661 1.00 0.00 C ATOM 483 O LEU A 33 -5.062 -17.982 3.863 1.00 0.00 O ATOM 484 CB LEU A 33 -3.255 -16.875 1.654 1.00 0.00 C ATOM 485 CG LEU A 33 -2.263 -16.666 0.509 1.00 0.00 C ATOM 486 CD1 LEU A 33 -2.599 -15.401 -0.265 1.00 0.00 C ATOM 487 CD2 LEU A 33 -0.839 -16.606 1.041 1.00 0.00 C ATOM 0 H LEU A 33 -4.999 -18.738 1.080 1.00 0.00 H new ATOM 0 HA LEU A 33 -2.306 -18.697 2.284 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -4.251 -16.610 1.298 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -3.007 -16.179 2.455 1.00 0.00 H new ATOM 0 HG LEU A 33 -2.340 -17.514 -0.171 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -1.882 -15.269 -1.076 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -3.604 -15.484 -0.679 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -2.552 -14.542 0.404 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -0.147 -16.457 0.212 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -0.748 -15.778 1.744 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -0.601 -17.540 1.549 1.00 0.00 H new ATOM 499 N LYS A 34 -3.009 -18.468 4.642 1.00 0.00 N ATOM 500 CA LYS A 34 -3.414 -18.445 6.042 1.00 0.00 C ATOM 501 C LYS A 34 -2.855 -17.215 6.750 1.00 0.00 C ATOM 502 O LYS A 34 -2.602 -17.241 7.955 1.00 0.00 O ATOM 503 CB LYS A 34 -2.941 -19.715 6.753 1.00 0.00 C ATOM 504 CG LYS A 34 -3.780 -20.940 6.433 1.00 0.00 C ATOM 505 CD LYS A 34 -2.996 -22.224 6.647 1.00 0.00 C ATOM 506 CE LYS A 34 -3.071 -22.688 8.093 1.00 0.00 C ATOM 507 NZ LYS A 34 -2.042 -23.720 8.399 1.00 0.00 N ATOM 0 H LYS A 34 -2.022 -18.677 4.493 1.00 0.00 H new ATOM 0 HA LYS A 34 -4.502 -18.400 6.078 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -1.905 -19.912 6.476 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -2.956 -19.546 7.830 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -4.670 -20.947 7.062 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -4.121 -20.889 5.399 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -3.387 -23.003 5.993 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -1.954 -22.066 6.368 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -2.936 -21.833 8.756 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -4.063 -23.094 8.293 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -2.126 -24.010 9.394 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -2.186 -24.546 7.784 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -1.094 -23.325 8.233 1.00 0.00 H new ATOM 521 N VAL A 35 -2.665 -16.138 5.995 1.00 0.00 N ATOM 522 CA VAL A 35 -2.138 -14.897 6.551 1.00 0.00 C ATOM 523 C VAL A 35 -3.179 -14.199 7.419 1.00 0.00 C ATOM 524 O VAL A 35 -4.381 -14.267 7.166 1.00 0.00 O ATOM 525 CB VAL A 35 -1.683 -13.933 5.439 1.00 0.00 C ATOM 526 CG1 VAL A 35 -0.811 -14.659 4.426 1.00 0.00 C ATOM 527 CG2 VAL A 35 -2.886 -13.297 4.761 1.00 0.00 C ATOM 0 H VAL A 35 -2.868 -16.100 4.996 1.00 0.00 H new ATOM 0 HA VAL A 35 -1.278 -15.164 7.164 1.00 0.00 H new ATOM 0 HB VAL A 35 -1.088 -13.139 5.891 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -0.499 -13.962 3.648 1.00 0.00 H new ATOM 0 HG12 VAL A 35 0.070 -15.062 4.926 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -1.378 -15.474 3.976 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -2.546 -12.619 3.978 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -3.510 -14.075 4.321 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -3.466 -12.740 5.497 1.00 0.00 H new ATOM 537 N PRO A 36 -2.707 -13.511 8.469 1.00 0.00 N ATOM 538 CA PRO A 36 -3.579 -12.785 9.397 1.00 0.00 C ATOM 539 C PRO A 36 -4.216 -11.558 8.754 1.00 0.00 C ATOM 540 O PRO A 36 -3.602 -10.895 7.919 1.00 0.00 O ATOM 541 CB PRO A 36 -2.631 -12.367 10.523 1.00 0.00 C ATOM 542 CG PRO A 36 -1.286 -12.314 9.885 1.00 0.00 C ATOM 543 CD PRO A 36 -1.285 -13.387 8.832 1.00 0.00 C ATOM 0 HA PRO A 36 -4.416 -13.397 9.732 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -2.911 -11.399 10.937 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -2.652 -13.083 11.344 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -1.102 -11.334 9.444 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -0.499 -12.487 10.619 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -0.674 -13.107 7.974 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -0.885 -14.326 9.215 1.00 0.00 H new ATOM 551 N GLU A 37 -5.451 -11.261 9.149 1.00 0.00 N ATOM 552 CA GLU A 37 -6.170 -10.113 8.610 1.00 0.00 C ATOM 553 C GLU A 37 -5.287 -8.868 8.613 1.00 0.00 C ATOM 554 O GLU A 37 -5.378 -8.029 7.718 1.00 0.00 O ATOM 555 CB GLU A 37 -7.441 -9.853 9.420 1.00 0.00 C ATOM 556 CG GLU A 37 -8.186 -8.598 8.997 1.00 0.00 C ATOM 557 CD GLU A 37 -9.025 -8.012 10.117 1.00 0.00 C ATOM 558 OE1 GLU A 37 -10.097 -8.579 10.415 1.00 0.00 O ATOM 559 OE2 GLU A 37 -8.608 -6.987 10.695 1.00 0.00 O ATOM 0 H GLU A 37 -5.973 -11.800 9.840 1.00 0.00 H new ATOM 0 HA GLU A 37 -6.445 -10.340 7.580 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -8.106 -10.711 9.322 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -7.179 -9.772 10.475 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -7.468 -7.851 8.657 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -8.830 -8.831 8.149 1.00 0.00 H new ATOM 566 N GLU A 38 -4.435 -8.757 9.627 1.00 0.00 N ATOM 567 CA GLU A 38 -3.538 -7.614 9.748 1.00 0.00 C ATOM 568 C GLU A 38 -2.632 -7.502 8.525 1.00 0.00 C ATOM 569 O GLU A 38 -2.432 -6.414 7.984 1.00 0.00 O ATOM 570 CB GLU A 38 -2.688 -7.735 11.015 1.00 0.00 C ATOM 571 CG GLU A 38 -2.300 -6.396 11.618 1.00 0.00 C ATOM 572 CD GLU A 38 -3.312 -5.896 12.630 1.00 0.00 C ATOM 573 OE1 GLU A 38 -4.520 -6.141 12.431 1.00 0.00 O ATOM 574 OE2 GLU A 38 -2.897 -5.260 13.621 1.00 0.00 O ATOM 0 H GLU A 38 -4.347 -9.444 10.376 1.00 0.00 H new ATOM 0 HA GLU A 38 -4.147 -6.713 9.813 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -3.238 -8.313 11.758 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -1.782 -8.295 10.783 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -1.326 -6.487 12.099 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -2.195 -5.660 10.821 1.00 0.00 H new ATOM 581 N LYS A 39 -2.087 -8.634 8.094 1.00 0.00 N ATOM 582 CA LYS A 39 -1.203 -8.665 6.934 1.00 0.00 C ATOM 583 C LYS A 39 -1.711 -7.735 5.837 1.00 0.00 C ATOM 584 O LYS A 39 -1.098 -6.708 5.548 1.00 0.00 O ATOM 585 CB LYS A 39 -1.087 -10.092 6.394 1.00 0.00 C ATOM 586 CG LYS A 39 -0.384 -10.179 5.051 1.00 0.00 C ATOM 587 CD LYS A 39 1.124 -10.269 5.215 1.00 0.00 C ATOM 588 CE LYS A 39 1.768 -8.891 5.207 1.00 0.00 C ATOM 589 NZ LYS A 39 3.227 -8.960 5.500 1.00 0.00 N ATOM 0 H LYS A 39 -2.242 -9.543 8.530 1.00 0.00 H new ATOM 0 HA LYS A 39 -0.218 -8.321 7.250 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -0.547 -10.702 7.118 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -2.086 -10.518 6.300 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -0.744 -11.052 4.507 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -0.634 -9.304 4.451 1.00 0.00 H new ATOM 0 HD2 LYS A 39 1.360 -10.777 6.150 1.00 0.00 H new ATOM 0 HD3 LYS A 39 1.543 -10.873 4.410 1.00 0.00 H new ATOM 0 HE2 LYS A 39 1.614 -8.424 4.234 1.00 0.00 H new ATOM 0 HE3 LYS A 39 1.279 -8.257 5.946 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 3.630 -8.001 5.486 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 3.373 -9.383 6.439 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 3.698 -9.544 4.780 1.00 0.00 H new ATOM 603 N ALA A 40 -2.836 -8.101 5.232 1.00 0.00 N ATOM 604 CA ALA A 40 -3.428 -7.297 4.170 1.00 0.00 C ATOM 605 C ALA A 40 -3.441 -5.818 4.542 1.00 0.00 C ATOM 606 O ALA A 40 -2.910 -4.980 3.814 1.00 0.00 O ATOM 607 CB ALA A 40 -4.839 -7.779 3.867 1.00 0.00 C ATOM 0 H ALA A 40 -3.356 -8.949 5.459 1.00 0.00 H new ATOM 0 HA ALA A 40 -2.816 -7.414 3.276 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -5.269 -7.170 3.072 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -4.807 -8.821 3.548 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -5.453 -7.692 4.763 1.00 0.00 H new ATOM 613 N ALA A 41 -4.050 -5.505 5.681 1.00 0.00 N ATOM 614 CA ALA A 41 -4.131 -4.127 6.150 1.00 0.00 C ATOM 615 C ALA A 41 -2.759 -3.462 6.137 1.00 0.00 C ATOM 616 O ALA A 41 -2.515 -2.533 5.366 1.00 0.00 O ATOM 617 CB ALA A 41 -4.728 -4.081 7.549 1.00 0.00 C ATOM 0 H ALA A 41 -4.494 -6.187 6.296 1.00 0.00 H new ATOM 0 HA ALA A 41 -4.780 -3.575 5.471 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -4.783 -3.046 7.887 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -5.730 -4.511 7.531 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -4.100 -4.653 8.232 1.00 0.00 H new ATOM 623 N LYS A 42 -1.865 -3.942 6.995 1.00 0.00 N ATOM 624 CA LYS A 42 -0.516 -3.395 7.082 1.00 0.00 C ATOM 625 C LYS A 42 -0.006 -2.984 5.704 1.00 0.00 C ATOM 626 O LYS A 42 0.454 -1.859 5.512 1.00 0.00 O ATOM 627 CB LYS A 42 0.433 -4.420 7.705 1.00 0.00 C ATOM 628 CG LYS A 42 0.112 -4.746 9.153 1.00 0.00 C ATOM 629 CD LYS A 42 0.830 -6.003 9.615 1.00 0.00 C ATOM 630 CE LYS A 42 2.322 -5.761 9.787 1.00 0.00 C ATOM 631 NZ LYS A 42 3.111 -7.011 9.607 1.00 0.00 N ATOM 0 H LYS A 42 -2.051 -4.710 7.641 1.00 0.00 H new ATOM 0 HA LYS A 42 -0.550 -2.509 7.716 1.00 0.00 H new ATOM 0 HB2 LYS A 42 0.398 -5.338 7.119 1.00 0.00 H new ATOM 0 HB3 LYS A 42 1.453 -4.042 7.644 1.00 0.00 H new ATOM 0 HG2 LYS A 42 0.399 -3.908 9.788 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -0.964 -4.878 9.267 1.00 0.00 H new ATOM 0 HD2 LYS A 42 0.404 -6.340 10.560 1.00 0.00 H new ATOM 0 HD3 LYS A 42 0.671 -6.801 8.890 1.00 0.00 H new ATOM 0 HE2 LYS A 42 2.654 -5.015 9.065 1.00 0.00 H new ATOM 0 HE3 LYS A 42 2.512 -5.352 10.779 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 4.123 -6.804 9.732 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 2.812 -7.715 10.312 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 2.950 -7.388 8.651 1.00 0.00 H new ATOM 645 N VAL A 43 -0.091 -3.904 4.748 1.00 0.00 N ATOM 646 CA VAL A 43 0.360 -3.636 3.388 1.00 0.00 C ATOM 647 C VAL A 43 -0.295 -2.378 2.829 1.00 0.00 C ATOM 648 O VAL A 43 0.388 -1.449 2.398 1.00 0.00 O ATOM 649 CB VAL A 43 0.053 -4.820 2.452 1.00 0.00 C ATOM 650 CG1 VAL A 43 0.433 -4.481 1.019 1.00 0.00 C ATOM 651 CG2 VAL A 43 0.778 -6.072 2.922 1.00 0.00 C ATOM 0 H VAL A 43 -0.468 -4.841 4.891 1.00 0.00 H new ATOM 0 HA VAL A 43 1.439 -3.490 3.436 1.00 0.00 H new ATOM 0 HB VAL A 43 -1.019 -5.015 2.482 1.00 0.00 H new ATOM 0 HG11 VAL A 43 0.209 -5.330 0.373 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -0.136 -3.612 0.688 1.00 0.00 H new ATOM 0 HG13 VAL A 43 1.499 -4.258 0.968 1.00 0.00 H new ATOM 0 HG21 VAL A 43 0.550 -6.899 2.249 1.00 0.00 H new ATOM 0 HG22 VAL A 43 1.853 -5.891 2.923 1.00 0.00 H new ATOM 0 HG23 VAL A 43 0.451 -6.324 3.931 1.00 0.00 H new ATOM 661 N ALA A 44 -1.624 -2.354 2.840 1.00 0.00 N ATOM 662 CA ALA A 44 -2.372 -1.209 2.337 1.00 0.00 C ATOM 663 C ALA A 44 -1.883 0.088 2.973 1.00 0.00 C ATOM 664 O ALA A 44 -1.486 1.023 2.276 1.00 0.00 O ATOM 665 CB ALA A 44 -3.860 -1.396 2.593 1.00 0.00 C ATOM 0 H ALA A 44 -2.205 -3.115 3.192 1.00 0.00 H new ATOM 0 HA ALA A 44 -2.205 -1.142 1.262 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -4.406 -0.533 2.212 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -4.206 -2.297 2.086 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -4.036 -1.492 3.664 1.00 0.00 H new ATOM 671 N THR A 45 -1.914 0.140 4.301 1.00 0.00 N ATOM 672 CA THR A 45 -1.476 1.323 5.030 1.00 0.00 C ATOM 673 C THR A 45 -0.104 1.786 4.554 1.00 0.00 C ATOM 674 O THR A 45 0.210 2.976 4.595 1.00 0.00 O ATOM 675 CB THR A 45 -1.418 1.058 6.547 1.00 0.00 C ATOM 676 OG1 THR A 45 -2.674 0.545 7.003 1.00 0.00 O ATOM 677 CG2 THR A 45 -1.079 2.332 7.306 1.00 0.00 C ATOM 0 H THR A 45 -2.238 -0.624 4.894 1.00 0.00 H new ATOM 0 HA THR A 45 -2.209 2.105 4.832 1.00 0.00 H new ATOM 0 HB THR A 45 -0.636 0.323 6.735 1.00 0.00 H new ATOM 0 HG1 THR A 45 -2.628 0.378 7.968 1.00 0.00 H new ATOM 0 HG21 THR A 45 -1.044 2.120 8.375 1.00 0.00 H new ATOM 0 HG22 THR A 45 -0.109 2.704 6.977 1.00 0.00 H new ATOM 0 HG23 THR A 45 -1.842 3.086 7.110 1.00 0.00 H new ATOM 685 N LYS A 46 0.711 0.839 4.101 1.00 0.00 N ATOM 686 CA LYS A 46 2.049 1.149 3.614 1.00 0.00 C ATOM 687 C LYS A 46 1.995 1.731 2.205 1.00 0.00 C ATOM 688 O LYS A 46 2.663 2.721 1.906 1.00 0.00 O ATOM 689 CB LYS A 46 2.922 -0.108 3.624 1.00 0.00 C ATOM 690 CG LYS A 46 3.171 -0.664 5.015 1.00 0.00 C ATOM 691 CD LYS A 46 4.363 0.006 5.679 1.00 0.00 C ATOM 692 CE LYS A 46 4.290 -0.100 7.194 1.00 0.00 C ATOM 693 NZ LYS A 46 5.549 0.356 7.844 1.00 0.00 N ATOM 0 H LYS A 46 0.467 -0.151 4.061 1.00 0.00 H new ATOM 0 HA LYS A 46 2.486 1.894 4.279 1.00 0.00 H new ATOM 0 HB2 LYS A 46 2.446 -0.876 3.015 1.00 0.00 H new ATOM 0 HB3 LYS A 46 3.880 0.121 3.157 1.00 0.00 H new ATOM 0 HG2 LYS A 46 2.283 -0.520 5.630 1.00 0.00 H new ATOM 0 HG3 LYS A 46 3.345 -1.738 4.953 1.00 0.00 H new ATOM 0 HD2 LYS A 46 5.285 -0.456 5.325 1.00 0.00 H new ATOM 0 HD3 LYS A 46 4.400 1.056 5.388 1.00 0.00 H new ATOM 0 HE2 LYS A 46 3.455 0.498 7.560 1.00 0.00 H new ATOM 0 HE3 LYS A 46 4.089 -1.134 7.476 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 5.429 0.348 8.877 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 6.327 -0.283 7.581 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 5.772 1.322 7.529 1.00 0.00 H new ATOM 707 N ILE A 47 1.194 1.112 1.344 1.00 0.00 N ATOM 708 CA ILE A 47 1.051 1.571 -0.032 1.00 0.00 C ATOM 709 C ILE A 47 0.967 3.092 -0.098 1.00 0.00 C ATOM 710 O ILE A 47 1.762 3.737 -0.780 1.00 0.00 O ATOM 711 CB ILE A 47 -0.201 0.970 -0.698 1.00 0.00 C ATOM 712 CG1 ILE A 47 -0.166 -0.558 -0.614 1.00 0.00 C ATOM 713 CG2 ILE A 47 -0.299 1.424 -2.147 1.00 0.00 C ATOM 714 CD1 ILE A 47 1.176 -1.153 -0.976 1.00 0.00 C ATOM 0 H ILE A 47 0.634 0.291 1.575 1.00 0.00 H new ATOM 0 HA ILE A 47 1.937 1.235 -0.571 1.00 0.00 H new ATOM 0 HB ILE A 47 -1.084 1.324 -0.166 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -0.429 -0.864 0.399 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -0.927 -0.968 -1.278 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -1.189 0.991 -2.604 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -0.364 2.511 -2.184 1.00 0.00 H new ATOM 0 HG23 ILE A 47 0.586 1.095 -2.692 1.00 0.00 H new ATOM 0 HD11 ILE A 47 1.127 -2.239 -0.894 1.00 0.00 H new ATOM 0 HD12 ILE A 47 1.432 -0.877 -1.999 1.00 0.00 H new ATOM 0 HD13 ILE A 47 1.938 -0.772 -0.296 1.00 0.00 H new ATOM 726 N GLU A 48 0.000 3.658 0.617 1.00 0.00 N ATOM 727 CA GLU A 48 -0.186 5.104 0.640 1.00 0.00 C ATOM 728 C GLU A 48 0.954 5.788 1.389 1.00 0.00 C ATOM 729 O GLU A 48 1.597 6.699 0.867 1.00 0.00 O ATOM 730 CB GLU A 48 -1.524 5.458 1.293 1.00 0.00 C ATOM 731 CG GLU A 48 -2.685 4.608 0.803 1.00 0.00 C ATOM 732 CD GLU A 48 -2.857 3.335 1.608 1.00 0.00 C ATOM 733 OE1 GLU A 48 -2.359 3.286 2.753 1.00 0.00 O ATOM 734 OE2 GLU A 48 -3.490 2.389 1.095 1.00 0.00 O ATOM 0 H GLU A 48 -0.666 3.138 1.188 1.00 0.00 H new ATOM 0 HA GLU A 48 -0.186 5.461 -0.390 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -1.433 5.345 2.373 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -1.746 6.507 1.100 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -3.604 5.192 0.853 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -2.526 4.352 -0.245 1.00 0.00 H new ATOM 741 N LYS A 49 1.199 5.341 2.616 1.00 0.00 N ATOM 742 CA LYS A 49 2.262 5.908 3.438 1.00 0.00 C ATOM 743 C LYS A 49 3.459 6.308 2.581 1.00 0.00 C ATOM 744 O LYS A 49 4.079 7.345 2.812 1.00 0.00 O ATOM 745 CB LYS A 49 2.699 4.903 4.507 1.00 0.00 C ATOM 746 CG LYS A 49 3.510 5.524 5.631 1.00 0.00 C ATOM 747 CD LYS A 49 3.541 4.628 6.857 1.00 0.00 C ATOM 748 CE LYS A 49 4.603 5.076 7.849 1.00 0.00 C ATOM 749 NZ LYS A 49 5.104 3.943 8.675 1.00 0.00 N ATOM 0 H LYS A 49 0.676 4.588 3.063 1.00 0.00 H new ATOM 0 HA LYS A 49 1.873 6.802 3.925 1.00 0.00 H new ATOM 0 HB2 LYS A 49 1.814 4.427 4.929 1.00 0.00 H new ATOM 0 HB3 LYS A 49 3.289 4.118 4.035 1.00 0.00 H new ATOM 0 HG2 LYS A 49 4.528 5.708 5.288 1.00 0.00 H new ATOM 0 HG3 LYS A 49 3.084 6.491 5.897 1.00 0.00 H new ATOM 0 HD2 LYS A 49 2.564 4.637 7.340 1.00 0.00 H new ATOM 0 HD3 LYS A 49 3.737 3.600 6.553 1.00 0.00 H new ATOM 0 HE2 LYS A 49 5.435 5.528 7.310 1.00 0.00 H new ATOM 0 HE3 LYS A 49 4.189 5.846 8.501 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 5.826 4.290 9.338 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 4.314 3.527 9.209 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 5.522 3.220 8.055 1.00 0.00 H new ATOM 763 N GLU A 50 3.776 5.478 1.592 1.00 0.00 N ATOM 764 CA GLU A 50 4.898 5.747 0.701 1.00 0.00 C ATOM 765 C GLU A 50 4.451 6.568 -0.505 1.00 0.00 C ATOM 766 O GLU A 50 5.176 7.444 -0.978 1.00 0.00 O ATOM 767 CB GLU A 50 5.531 4.436 0.232 1.00 0.00 C ATOM 768 CG GLU A 50 6.839 4.625 -0.518 1.00 0.00 C ATOM 769 CD GLU A 50 8.041 4.667 0.406 1.00 0.00 C ATOM 770 OE1 GLU A 50 8.097 3.846 1.345 1.00 0.00 O ATOM 771 OE2 GLU A 50 8.925 5.522 0.189 1.00 0.00 O ATOM 0 H GLU A 50 3.272 4.615 1.388 1.00 0.00 H new ATOM 0 HA GLU A 50 5.639 6.322 1.256 1.00 0.00 H new ATOM 0 HB2 GLU A 50 5.707 3.798 1.098 1.00 0.00 H new ATOM 0 HB3 GLU A 50 4.825 3.912 -0.412 1.00 0.00 H new ATOM 0 HG2 GLU A 50 6.964 3.812 -1.234 1.00 0.00 H new ATOM 0 HG3 GLU A 50 6.794 5.551 -1.092 1.00 0.00 H new ATOM 778 N LEU A 51 3.252 6.279 -0.998 1.00 0.00 N ATOM 779 CA LEU A 51 2.706 6.990 -2.150 1.00 0.00 C ATOM 780 C LEU A 51 2.532 8.473 -1.842 1.00 0.00 C ATOM 781 O LEU A 51 3.105 9.330 -2.516 1.00 0.00 O ATOM 782 CB LEU A 51 1.364 6.381 -2.560 1.00 0.00 C ATOM 783 CG LEU A 51 0.944 6.601 -4.014 1.00 0.00 C ATOM 784 CD1 LEU A 51 1.606 5.577 -4.922 1.00 0.00 C ATOM 785 CD2 LEU A 51 -0.570 6.536 -4.147 1.00 0.00 C ATOM 0 H LEU A 51 2.639 5.558 -0.619 1.00 0.00 H new ATOM 0 HA LEU A 51 3.411 6.890 -2.976 1.00 0.00 H new ATOM 0 HB2 LEU A 51 1.402 5.308 -2.372 1.00 0.00 H new ATOM 0 HB3 LEU A 51 0.589 6.791 -1.913 1.00 0.00 H new ATOM 0 HG LEU A 51 1.273 7.594 -4.321 1.00 0.00 H new ATOM 0 HD11 LEU A 51 1.295 5.750 -5.952 1.00 0.00 H new ATOM 0 HD12 LEU A 51 2.689 5.672 -4.849 1.00 0.00 H new ATOM 0 HD13 LEU A 51 1.309 4.574 -4.616 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -0.851 6.695 -5.188 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -0.922 5.557 -3.821 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -1.023 7.309 -3.527 1.00 0.00 H new ATOM 797 N PHE A 52 1.739 8.770 -0.817 1.00 0.00 N ATOM 798 CA PHE A 52 1.490 10.151 -0.418 1.00 0.00 C ATOM 799 C PHE A 52 2.801 10.913 -0.249 1.00 0.00 C ATOM 800 O PHE A 52 2.910 12.076 -0.637 1.00 0.00 O ATOM 801 CB PHE A 52 0.692 10.191 0.887 1.00 0.00 C ATOM 802 CG PHE A 52 0.317 11.580 1.318 1.00 0.00 C ATOM 803 CD1 PHE A 52 -0.427 12.401 0.486 1.00 0.00 C ATOM 804 CD2 PHE A 52 0.710 12.065 2.555 1.00 0.00 C ATOM 805 CE1 PHE A 52 -0.774 13.679 0.880 1.00 0.00 C ATOM 806 CE2 PHE A 52 0.366 13.343 2.954 1.00 0.00 C ATOM 807 CZ PHE A 52 -0.376 14.151 2.115 1.00 0.00 C ATOM 0 H PHE A 52 1.258 8.073 -0.248 1.00 0.00 H new ATOM 0 HA PHE A 52 0.910 10.632 -1.206 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -0.215 9.599 0.767 1.00 0.00 H new ATOM 0 HB3 PHE A 52 1.278 9.720 1.676 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -0.739 12.038 -0.482 1.00 0.00 H new ATOM 0 HD2 PHE A 52 1.291 11.438 3.215 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -1.356 14.308 0.223 1.00 0.00 H new ATOM 0 HE2 PHE A 52 0.677 13.709 3.921 1.00 0.00 H new ATOM 0 HZ PHE A 52 -0.644 15.150 2.424 1.00 0.00 H new ATOM 817 N SER A 53 3.794 10.248 0.333 1.00 0.00 N ATOM 818 CA SER A 53 5.097 10.863 0.558 1.00 0.00 C ATOM 819 C SER A 53 5.859 11.018 -0.754 1.00 0.00 C ATOM 820 O SER A 53 6.529 12.026 -0.981 1.00 0.00 O ATOM 821 CB SER A 53 5.917 10.025 1.541 1.00 0.00 C ATOM 822 OG SER A 53 7.236 10.530 1.665 1.00 0.00 O ATOM 0 H SER A 53 3.721 9.284 0.657 1.00 0.00 H new ATOM 0 HA SER A 53 4.935 11.854 0.983 1.00 0.00 H new ATOM 0 HB2 SER A 53 5.431 10.024 2.517 1.00 0.00 H new ATOM 0 HB3 SER A 53 5.951 8.990 1.201 1.00 0.00 H new ATOM 0 HG SER A 53 7.739 9.978 2.300 1.00 0.00 H new ATOM 828 N PHE A 54 5.750 10.013 -1.616 1.00 0.00 N ATOM 829 CA PHE A 54 6.429 10.036 -2.907 1.00 0.00 C ATOM 830 C PHE A 54 5.990 11.242 -3.731 1.00 0.00 C ATOM 831 O PHE A 54 6.803 12.097 -4.082 1.00 0.00 O ATOM 832 CB PHE A 54 6.144 8.746 -3.679 1.00 0.00 C ATOM 833 CG PHE A 54 6.647 8.771 -5.094 1.00 0.00 C ATOM 834 CD1 PHE A 54 7.995 8.944 -5.362 1.00 0.00 C ATOM 835 CD2 PHE A 54 5.770 8.622 -6.157 1.00 0.00 C ATOM 836 CE1 PHE A 54 8.460 8.969 -6.663 1.00 0.00 C ATOM 837 CE2 PHE A 54 6.229 8.646 -7.461 1.00 0.00 C ATOM 838 CZ PHE A 54 7.576 8.818 -7.714 1.00 0.00 C ATOM 0 H PHE A 54 5.198 9.172 -1.445 1.00 0.00 H new ATOM 0 HA PHE A 54 7.501 10.114 -2.725 1.00 0.00 H new ATOM 0 HB2 PHE A 54 6.603 7.909 -3.153 1.00 0.00 H new ATOM 0 HB3 PHE A 54 5.069 8.567 -3.687 1.00 0.00 H new ATOM 0 HD1 PHE A 54 8.691 9.061 -4.544 1.00 0.00 H new ATOM 0 HD2 PHE A 54 4.716 8.486 -5.964 1.00 0.00 H new ATOM 0 HE1 PHE A 54 9.513 9.106 -6.858 1.00 0.00 H new ATOM 0 HE2 PHE A 54 5.535 8.530 -8.281 1.00 0.00 H new ATOM 0 HZ PHE A 54 7.938 8.834 -8.732 1.00 0.00 H new ATOM 848 N PHE A 55 4.698 11.304 -4.037 1.00 0.00 N ATOM 849 CA PHE A 55 4.150 12.405 -4.821 1.00 0.00 C ATOM 850 C PHE A 55 4.033 13.669 -3.976 1.00 0.00 C ATOM 851 O PHE A 55 4.189 14.782 -4.479 1.00 0.00 O ATOM 852 CB PHE A 55 2.778 12.025 -5.383 1.00 0.00 C ATOM 853 CG PHE A 55 2.849 11.085 -6.553 1.00 0.00 C ATOM 854 CD1 PHE A 55 3.200 11.550 -7.811 1.00 0.00 C ATOM 855 CD2 PHE A 55 2.565 9.738 -6.396 1.00 0.00 C ATOM 856 CE1 PHE A 55 3.266 10.688 -8.890 1.00 0.00 C ATOM 857 CE2 PHE A 55 2.631 8.872 -7.471 1.00 0.00 C ATOM 858 CZ PHE A 55 2.980 9.348 -8.719 1.00 0.00 C ATOM 0 H PHE A 55 4.011 10.605 -3.754 1.00 0.00 H new ATOM 0 HA PHE A 55 4.832 12.604 -5.648 1.00 0.00 H new ATOM 0 HB2 PHE A 55 2.185 11.565 -4.593 1.00 0.00 H new ATOM 0 HB3 PHE A 55 2.255 12.932 -5.687 1.00 0.00 H new ATOM 0 HD1 PHE A 55 3.424 12.597 -7.950 1.00 0.00 H new ATOM 0 HD2 PHE A 55 2.289 9.361 -5.423 1.00 0.00 H new ATOM 0 HE1 PHE A 55 3.541 11.062 -9.865 1.00 0.00 H new ATOM 0 HE2 PHE A 55 2.410 7.824 -7.335 1.00 0.00 H new ATOM 0 HZ PHE A 55 3.029 8.673 -9.561 1.00 0.00 H new ATOM 868 N ARG A 56 3.756 13.490 -2.688 1.00 0.00 N ATOM 869 CA ARG A 56 3.616 14.616 -1.773 1.00 0.00 C ATOM 870 C ARG A 56 2.390 15.453 -2.124 1.00 0.00 C ATOM 871 O ARG A 56 2.361 16.661 -1.886 1.00 0.00 O ATOM 872 CB ARG A 56 4.871 15.490 -1.810 1.00 0.00 C ATOM 873 CG ARG A 56 5.098 16.284 -0.534 1.00 0.00 C ATOM 874 CD ARG A 56 6.283 17.227 -0.668 1.00 0.00 C ATOM 875 NE ARG A 56 7.552 16.553 -0.410 1.00 0.00 N ATOM 876 CZ ARG A 56 8.225 15.874 -1.332 1.00 0.00 C ATOM 877 NH1 ARG A 56 7.752 15.781 -2.567 1.00 0.00 N ATOM 878 NH2 ARG A 56 9.373 15.287 -1.020 1.00 0.00 N ATOM 0 H ARG A 56 3.624 12.576 -2.255 1.00 0.00 H new ATOM 0 HA ARG A 56 3.487 14.219 -0.766 1.00 0.00 H new ATOM 0 HB2 ARG A 56 5.739 14.857 -1.993 1.00 0.00 H new ATOM 0 HB3 ARG A 56 4.798 16.181 -2.650 1.00 0.00 H new ATOM 0 HG2 ARG A 56 4.201 16.856 -0.296 1.00 0.00 H new ATOM 0 HG3 ARG A 56 5.269 15.599 0.297 1.00 0.00 H new ATOM 0 HD2 ARG A 56 6.296 17.652 -1.672 1.00 0.00 H new ATOM 0 HD3 ARG A 56 6.166 18.057 0.028 1.00 0.00 H new ATOM 0 HE ARG A 56 7.943 16.606 0.530 1.00 0.00 H new ATOM 0 HH11 ARG A 56 6.870 16.231 -2.811 1.00 0.00 H new ATOM 0 HH12 ARG A 56 8.270 15.259 -3.274 1.00 0.00 H new ATOM 0 HH21 ARG A 56 9.740 15.357 -0.071 1.00 0.00 H new ATOM 0 HH22 ARG A 56 9.889 14.766 -1.729 1.00 0.00 H new ATOM 892 N ASP A 57 1.380 14.804 -2.693 1.00 0.00 N ATOM 893 CA ASP A 57 0.151 15.488 -3.077 1.00 0.00 C ATOM 894 C ASP A 57 -0.888 14.493 -3.586 1.00 0.00 C ATOM 895 O ASP A 57 -0.564 13.350 -3.908 1.00 0.00 O ATOM 896 CB ASP A 57 0.440 16.537 -4.152 1.00 0.00 C ATOM 897 CG ASP A 57 0.838 17.876 -3.562 1.00 0.00 C ATOM 898 OD1 ASP A 57 0.213 18.295 -2.565 1.00 0.00 O ATOM 899 OD2 ASP A 57 1.775 18.504 -4.097 1.00 0.00 O ATOM 0 H ASP A 57 1.388 13.805 -2.898 1.00 0.00 H new ATOM 0 HA ASP A 57 -0.250 15.985 -2.194 1.00 0.00 H new ATOM 0 HB2 ASP A 57 1.238 16.177 -4.801 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -0.444 16.667 -4.776 1.00 0.00 H new ATOM 904 N THR A 58 -2.140 14.936 -3.654 1.00 0.00 N ATOM 905 CA THR A 58 -3.227 14.085 -4.121 1.00 0.00 C ATOM 906 C THR A 58 -3.791 14.590 -5.445 1.00 0.00 C ATOM 907 O THR A 58 -5.005 14.717 -5.605 1.00 0.00 O ATOM 908 CB THR A 58 -4.366 14.010 -3.087 1.00 0.00 C ATOM 909 OG1 THR A 58 -4.882 15.321 -2.830 1.00 0.00 O ATOM 910 CG2 THR A 58 -3.876 13.390 -1.787 1.00 0.00 C ATOM 0 H THR A 58 -2.426 15.879 -3.391 1.00 0.00 H new ATOM 0 HA THR A 58 -2.809 13.088 -4.263 1.00 0.00 H new ATOM 0 HB THR A 58 -5.157 13.382 -3.496 1.00 0.00 H new ATOM 0 HG1 THR A 58 -5.607 15.264 -2.173 1.00 0.00 H new ATOM 0 HG21 THR A 58 -4.698 13.347 -1.072 1.00 0.00 H new ATOM 0 HG22 THR A 58 -3.510 12.382 -1.980 1.00 0.00 H new ATOM 0 HG23 THR A 58 -3.069 13.996 -1.376 1.00 0.00 H new ATOM 918 N ASP A 59 -2.903 14.877 -6.390 1.00 0.00 N ATOM 919 CA ASP A 59 -3.313 15.366 -7.701 1.00 0.00 C ATOM 920 C ASP A 59 -3.747 14.213 -8.600 1.00 0.00 C ATOM 921 O ASP A 59 -3.770 13.058 -8.177 1.00 0.00 O ATOM 922 CB ASP A 59 -2.170 16.140 -8.360 1.00 0.00 C ATOM 923 CG ASP A 59 -2.151 17.601 -7.955 1.00 0.00 C ATOM 924 OD1 ASP A 59 -2.646 17.917 -6.853 1.00 0.00 O ATOM 925 OD2 ASP A 59 -1.642 18.429 -8.740 1.00 0.00 O ATOM 0 H ASP A 59 -1.894 14.779 -6.273 1.00 0.00 H new ATOM 0 HA ASP A 59 -4.163 16.035 -7.563 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -1.220 15.679 -8.090 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -2.263 16.068 -9.444 1.00 0.00 H new ATOM 930 N ALA A 60 -4.093 14.536 -9.842 1.00 0.00 N ATOM 931 CA ALA A 60 -4.526 13.527 -10.801 1.00 0.00 C ATOM 932 C ALA A 60 -3.477 12.430 -10.956 1.00 0.00 C ATOM 933 O ALA A 60 -3.788 11.313 -11.369 1.00 0.00 O ATOM 934 CB ALA A 60 -4.821 14.171 -12.148 1.00 0.00 C ATOM 0 H ALA A 60 -4.082 15.488 -10.207 1.00 0.00 H new ATOM 0 HA ALA A 60 -5.439 13.069 -10.421 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -5.143 13.406 -12.854 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -5.611 14.913 -12.031 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -3.920 14.656 -12.524 1.00 0.00 H new ATOM 940 N LYS A 61 -2.233 12.757 -10.622 1.00 0.00 N ATOM 941 CA LYS A 61 -1.138 11.800 -10.723 1.00 0.00 C ATOM 942 C LYS A 61 -1.186 10.795 -9.576 1.00 0.00 C ATOM 943 O LYS A 61 -1.401 9.602 -9.792 1.00 0.00 O ATOM 944 CB LYS A 61 0.207 12.531 -10.719 1.00 0.00 C ATOM 945 CG LYS A 61 0.202 13.819 -11.523 1.00 0.00 C ATOM 946 CD LYS A 61 1.562 14.495 -11.502 1.00 0.00 C ATOM 947 CE LYS A 61 1.441 15.998 -11.703 1.00 0.00 C ATOM 948 NZ LYS A 61 1.235 16.715 -10.414 1.00 0.00 N ATOM 0 H LYS A 61 -1.958 13.678 -10.279 1.00 0.00 H new ATOM 0 HA LYS A 61 -1.247 11.258 -11.662 1.00 0.00 H new ATOM 0 HB2 LYS A 61 0.485 12.756 -9.690 1.00 0.00 H new ATOM 0 HB3 LYS A 61 0.973 11.866 -11.118 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -0.083 13.605 -12.553 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -0.549 14.498 -11.119 1.00 0.00 H new ATOM 0 HD2 LYS A 61 2.055 14.293 -10.551 1.00 0.00 H new ATOM 0 HD3 LYS A 61 2.192 14.072 -12.284 1.00 0.00 H new ATOM 0 HE2 LYS A 61 2.342 16.373 -12.187 1.00 0.00 H new ATOM 0 HE3 LYS A 61 0.608 16.209 -12.373 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 1.157 17.736 -10.593 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 0.361 16.375 -9.964 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 2.042 16.535 -9.784 1.00 0.00 H new ATOM 962 N TYR A 62 -0.985 11.285 -8.358 1.00 0.00 N ATOM 963 CA TYR A 62 -1.005 10.429 -7.177 1.00 0.00 C ATOM 964 C TYR A 62 -2.146 9.418 -7.256 1.00 0.00 C ATOM 965 O TYR A 62 -1.968 8.238 -6.954 1.00 0.00 O ATOM 966 CB TYR A 62 -1.145 11.275 -5.911 1.00 0.00 C ATOM 967 CG TYR A 62 -1.576 10.482 -4.698 1.00 0.00 C ATOM 968 CD1 TYR A 62 -2.915 10.182 -4.479 1.00 0.00 C ATOM 969 CD2 TYR A 62 -0.644 10.033 -3.770 1.00 0.00 C ATOM 970 CE1 TYR A 62 -3.313 9.458 -3.372 1.00 0.00 C ATOM 971 CE2 TYR A 62 -1.033 9.307 -2.661 1.00 0.00 C ATOM 972 CZ TYR A 62 -2.369 9.023 -2.466 1.00 0.00 C ATOM 973 OH TYR A 62 -2.761 8.301 -1.362 1.00 0.00 O ATOM 0 H TYR A 62 -0.806 12.270 -8.162 1.00 0.00 H new ATOM 0 HA TYR A 62 -0.062 9.883 -7.139 1.00 0.00 H new ATOM 0 HB2 TYR A 62 -0.191 11.757 -5.699 1.00 0.00 H new ATOM 0 HB3 TYR A 62 -1.870 12.068 -6.093 1.00 0.00 H new ATOM 0 HD1 TYR A 62 -3.657 10.521 -5.187 1.00 0.00 H new ATOM 0 HD2 TYR A 62 0.402 10.255 -3.918 1.00 0.00 H new ATOM 0 HE1 TYR A 62 -4.358 9.234 -3.217 1.00 0.00 H new ATOM 0 HE2 TYR A 62 -0.296 8.964 -1.951 1.00 0.00 H new ATOM 0 HH TYR A 62 -1.974 8.070 -0.826 1.00 0.00 H new ATOM 983 N LYS A 63 -3.318 9.891 -7.665 1.00 0.00 N ATOM 984 CA LYS A 63 -4.490 9.031 -7.786 1.00 0.00 C ATOM 985 C LYS A 63 -4.337 8.066 -8.958 1.00 0.00 C ATOM 986 O LYS A 63 -4.616 6.874 -8.833 1.00 0.00 O ATOM 987 CB LYS A 63 -5.752 9.876 -7.969 1.00 0.00 C ATOM 988 CG LYS A 63 -5.988 10.868 -6.843 1.00 0.00 C ATOM 989 CD LYS A 63 -6.824 12.049 -7.306 1.00 0.00 C ATOM 990 CE LYS A 63 -8.312 11.756 -7.198 1.00 0.00 C ATOM 991 NZ LYS A 63 -9.126 12.723 -7.986 1.00 0.00 N ATOM 0 H LYS A 63 -3.482 10.865 -7.918 1.00 0.00 H new ATOM 0 HA LYS A 63 -4.580 8.450 -6.868 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -5.682 10.419 -8.912 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -6.615 9.214 -8.046 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -6.491 10.367 -6.015 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -5.030 11.225 -6.465 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -6.580 12.926 -6.706 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -6.574 12.290 -8.339 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -8.509 10.743 -7.550 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -8.615 11.794 -6.152 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -10.135 12.490 -7.887 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -8.957 13.687 -7.634 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -8.855 12.669 -8.989 1.00 0.00 H new ATOM 1005 N ASN A 64 -3.891 8.589 -10.096 1.00 0.00 N ATOM 1006 CA ASN A 64 -3.701 7.773 -11.289 1.00 0.00 C ATOM 1007 C ASN A 64 -2.829 6.559 -10.985 1.00 0.00 C ATOM 1008 O ASN A 64 -3.048 5.473 -11.523 1.00 0.00 O ATOM 1009 CB ASN A 64 -3.064 8.605 -12.405 1.00 0.00 C ATOM 1010 CG ASN A 64 -4.094 9.364 -13.220 1.00 0.00 C ATOM 1011 OD1 ASN A 64 -5.232 9.546 -12.788 1.00 0.00 O ATOM 1012 ND2 ASN A 64 -3.697 9.811 -14.405 1.00 0.00 N ATOM 0 H ASN A 64 -3.655 9.574 -10.217 1.00 0.00 H new ATOM 0 HA ASN A 64 -4.679 7.422 -11.618 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -2.357 9.311 -11.970 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -2.495 7.949 -13.064 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -4.345 10.329 -14.998 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -2.744 9.637 -14.723 1.00 0.00 H new ATOM 1019 N LYS A 65 -1.841 6.749 -10.117 1.00 0.00 N ATOM 1020 CA LYS A 65 -0.937 5.670 -9.738 1.00 0.00 C ATOM 1021 C LYS A 65 -1.652 4.640 -8.870 1.00 0.00 C ATOM 1022 O LYS A 65 -1.607 3.441 -9.148 1.00 0.00 O ATOM 1023 CB LYS A 65 0.274 6.232 -8.989 1.00 0.00 C ATOM 1024 CG LYS A 65 1.091 5.170 -8.273 1.00 0.00 C ATOM 1025 CD LYS A 65 1.683 4.168 -9.250 1.00 0.00 C ATOM 1026 CE LYS A 65 2.859 4.760 -10.012 1.00 0.00 C ATOM 1027 NZ LYS A 65 3.297 3.877 -11.128 1.00 0.00 N ATOM 0 H LYS A 65 -1.646 7.641 -9.663 1.00 0.00 H new ATOM 0 HA LYS A 65 -0.597 5.177 -10.649 1.00 0.00 H new ATOM 0 HB2 LYS A 65 0.916 6.758 -9.696 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -0.068 6.968 -8.261 1.00 0.00 H new ATOM 0 HG2 LYS A 65 1.893 5.646 -7.708 1.00 0.00 H new ATOM 0 HG3 LYS A 65 0.460 4.648 -7.553 1.00 0.00 H new ATOM 0 HD2 LYS A 65 2.009 3.280 -8.709 1.00 0.00 H new ATOM 0 HD3 LYS A 65 0.915 3.848 -9.955 1.00 0.00 H new ATOM 0 HE2 LYS A 65 2.580 5.736 -10.409 1.00 0.00 H new ATOM 0 HE3 LYS A 65 3.692 4.920 -9.327 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 4.100 4.315 -11.623 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 3.587 2.954 -10.747 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 2.510 3.744 -11.795 1.00 0.00 H new ATOM 1041 N TYR A 66 -2.314 5.115 -7.821 1.00 0.00 N ATOM 1042 CA TYR A 66 -3.038 4.234 -6.912 1.00 0.00 C ATOM 1043 C TYR A 66 -3.999 3.331 -7.679 1.00 0.00 C ATOM 1044 O TYR A 66 -3.848 2.109 -7.686 1.00 0.00 O ATOM 1045 CB TYR A 66 -3.810 5.057 -5.879 1.00 0.00 C ATOM 1046 CG TYR A 66 -5.055 4.370 -5.366 1.00 0.00 C ATOM 1047 CD1 TYR A 66 -4.990 3.103 -4.799 1.00 0.00 C ATOM 1048 CD2 TYR A 66 -6.297 4.987 -5.449 1.00 0.00 C ATOM 1049 CE1 TYR A 66 -6.125 2.471 -4.329 1.00 0.00 C ATOM 1050 CE2 TYR A 66 -7.438 4.363 -4.980 1.00 0.00 C ATOM 1051 CZ TYR A 66 -7.346 3.105 -4.422 1.00 0.00 C ATOM 1052 OH TYR A 66 -8.480 2.480 -3.955 1.00 0.00 O ATOM 0 H TYR A 66 -2.364 6.105 -7.579 1.00 0.00 H new ATOM 0 HA TYR A 66 -2.310 3.606 -6.398 1.00 0.00 H new ATOM 0 HB2 TYR A 66 -3.153 5.276 -5.037 1.00 0.00 H new ATOM 0 HB3 TYR A 66 -4.089 6.012 -6.323 1.00 0.00 H new ATOM 0 HD1 TYR A 66 -4.035 2.604 -4.724 1.00 0.00 H new ATOM 0 HD2 TYR A 66 -6.372 5.971 -5.887 1.00 0.00 H new ATOM 0 HE1 TYR A 66 -6.056 1.486 -3.891 1.00 0.00 H new ATOM 0 HE2 TYR A 66 -8.396 4.858 -5.050 1.00 0.00 H new ATOM 0 HH TYR A 66 -9.256 3.062 -4.095 1.00 0.00 H new ATOM 1062 N ARG A 67 -4.986 3.941 -8.326 1.00 0.00 N ATOM 1063 CA ARG A 67 -5.973 3.193 -9.096 1.00 0.00 C ATOM 1064 C ARG A 67 -5.290 2.239 -10.072 1.00 0.00 C ATOM 1065 O ARG A 67 -5.833 1.188 -10.410 1.00 0.00 O ATOM 1066 CB ARG A 67 -6.888 4.152 -9.860 1.00 0.00 C ATOM 1067 CG ARG A 67 -6.193 4.884 -10.996 1.00 0.00 C ATOM 1068 CD ARG A 67 -7.194 5.450 -11.990 1.00 0.00 C ATOM 1069 NE ARG A 67 -7.723 6.741 -11.560 1.00 0.00 N ATOM 1070 CZ ARG A 67 -8.477 7.520 -12.328 1.00 0.00 C ATOM 1071 NH1 ARG A 67 -8.790 7.139 -13.559 1.00 0.00 N ATOM 1072 NH2 ARG A 67 -8.921 8.681 -11.865 1.00 0.00 N ATOM 0 H ARG A 67 -5.124 4.952 -8.333 1.00 0.00 H new ATOM 0 HA ARG A 67 -6.573 2.607 -8.400 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -7.732 3.592 -10.263 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -7.295 4.884 -9.163 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -5.585 5.692 -10.591 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -5.515 4.202 -11.509 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -6.715 5.560 -12.963 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -8.016 4.746 -12.117 1.00 0.00 H new ATOM 0 HE ARG A 67 -7.501 7.063 -10.618 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -8.452 6.246 -13.918 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -9.369 7.739 -14.147 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -8.684 8.977 -10.918 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -9.500 9.278 -12.456 1.00 0.00 H new ATOM 1086 N SER A 68 -4.097 2.614 -10.522 1.00 0.00 N ATOM 1087 CA SER A 68 -3.342 1.795 -11.462 1.00 0.00 C ATOM 1088 C SER A 68 -2.611 0.669 -10.737 1.00 0.00 C ATOM 1089 O SER A 68 -2.321 -0.376 -11.321 1.00 0.00 O ATOM 1090 CB SER A 68 -2.339 2.656 -12.232 1.00 0.00 C ATOM 1091 OG SER A 68 -1.694 1.905 -13.246 1.00 0.00 O ATOM 0 H SER A 68 -3.632 3.480 -10.250 1.00 0.00 H new ATOM 0 HA SER A 68 -4.047 1.353 -12.167 1.00 0.00 H new ATOM 0 HB2 SER A 68 -2.853 3.508 -12.677 1.00 0.00 H new ATOM 0 HB3 SER A 68 -1.595 3.057 -11.543 1.00 0.00 H new ATOM 0 HG SER A 68 -1.059 2.479 -13.724 1.00 0.00 H new ATOM 1097 N LEU A 69 -2.317 0.889 -9.460 1.00 0.00 N ATOM 1098 CA LEU A 69 -1.620 -0.106 -8.653 1.00 0.00 C ATOM 1099 C LEU A 69 -2.575 -1.206 -8.201 1.00 0.00 C ATOM 1100 O LEU A 69 -2.197 -2.375 -8.119 1.00 0.00 O ATOM 1101 CB LEU A 69 -0.976 0.557 -7.434 1.00 0.00 C ATOM 1102 CG LEU A 69 0.327 1.315 -7.694 1.00 0.00 C ATOM 1103 CD1 LEU A 69 1.009 1.669 -6.381 1.00 0.00 C ATOM 1104 CD2 LEU A 69 1.255 0.494 -8.575 1.00 0.00 C ATOM 0 H LEU A 69 -2.551 1.748 -8.961 1.00 0.00 H new ATOM 0 HA LEU A 69 -0.841 -0.556 -9.269 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -1.696 1.250 -6.999 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -0.783 -0.212 -6.686 1.00 0.00 H new ATOM 0 HG LEU A 69 0.088 2.241 -8.217 1.00 0.00 H new ATOM 0 HD11 LEU A 69 1.934 2.208 -6.585 1.00 0.00 H new ATOM 0 HD12 LEU A 69 0.347 2.297 -5.785 1.00 0.00 H new ATOM 0 HD13 LEU A 69 1.235 0.756 -5.831 1.00 0.00 H new ATOM 0 HD21 LEU A 69 2.177 1.049 -8.749 1.00 0.00 H new ATOM 0 HD22 LEU A 69 1.487 -0.449 -8.080 1.00 0.00 H new ATOM 0 HD23 LEU A 69 0.767 0.292 -9.529 1.00 0.00 H new ATOM 1116 N MET A 70 -3.815 -0.825 -7.912 1.00 0.00 N ATOM 1117 CA MET A 70 -4.825 -1.780 -7.472 1.00 0.00 C ATOM 1118 C MET A 70 -5.575 -2.367 -8.664 1.00 0.00 C ATOM 1119 O MET A 70 -6.193 -3.426 -8.562 1.00 0.00 O ATOM 1120 CB MET A 70 -5.811 -1.108 -6.515 1.00 0.00 C ATOM 1121 CG MET A 70 -7.008 -0.483 -7.215 1.00 0.00 C ATOM 1122 SD MET A 70 -8.388 -1.630 -7.388 1.00 0.00 S ATOM 1123 CE MET A 70 -9.097 -1.558 -5.745 1.00 0.00 C ATOM 0 H MET A 70 -4.144 0.138 -7.975 1.00 0.00 H new ATOM 0 HA MET A 70 -4.318 -2.591 -6.949 1.00 0.00 H new ATOM 0 HB2 MET A 70 -6.166 -1.846 -5.795 1.00 0.00 H new ATOM 0 HB3 MET A 70 -5.288 -0.337 -5.950 1.00 0.00 H new ATOM 0 HG2 MET A 70 -7.336 0.392 -6.654 1.00 0.00 H new ATOM 0 HG3 MET A 70 -6.705 -0.134 -8.202 1.00 0.00 H new ATOM 0 HE1 MET A 70 -9.896 -2.294 -5.661 1.00 0.00 H new ATOM 0 HE2 MET A 70 -8.325 -1.774 -5.006 1.00 0.00 H new ATOM 0 HE3 MET A 70 -9.502 -0.562 -5.567 1.00 0.00 H new ATOM 1133 N PHE A 71 -5.516 -1.670 -9.795 1.00 0.00 N ATOM 1134 CA PHE A 71 -6.191 -2.122 -11.006 1.00 0.00 C ATOM 1135 C PHE A 71 -5.698 -3.505 -11.420 1.00 0.00 C ATOM 1136 O PHE A 71 -6.450 -4.301 -11.981 1.00 0.00 O ATOM 1137 CB PHE A 71 -5.962 -1.125 -12.144 1.00 0.00 C ATOM 1138 CG PHE A 71 -6.357 -1.654 -13.493 1.00 0.00 C ATOM 1139 CD1 PHE A 71 -5.613 -2.650 -14.107 1.00 0.00 C ATOM 1140 CD2 PHE A 71 -7.472 -1.157 -14.148 1.00 0.00 C ATOM 1141 CE1 PHE A 71 -5.974 -3.138 -15.348 1.00 0.00 C ATOM 1142 CE2 PHE A 71 -7.838 -1.641 -15.390 1.00 0.00 C ATOM 1143 CZ PHE A 71 -7.089 -2.634 -15.990 1.00 0.00 C ATOM 0 H PHE A 71 -5.008 -0.791 -9.898 1.00 0.00 H new ATOM 0 HA PHE A 71 -7.259 -2.185 -10.795 1.00 0.00 H new ATOM 0 HB2 PHE A 71 -6.528 -0.216 -11.939 1.00 0.00 H new ATOM 0 HB3 PHE A 71 -4.908 -0.847 -12.166 1.00 0.00 H new ATOM 0 HD1 PHE A 71 -4.741 -3.049 -13.609 1.00 0.00 H new ATOM 0 HD2 PHE A 71 -8.063 -0.382 -13.682 1.00 0.00 H new ATOM 0 HE1 PHE A 71 -5.385 -3.913 -15.816 1.00 0.00 H new ATOM 0 HE2 PHE A 71 -8.708 -1.243 -15.890 1.00 0.00 H new ATOM 0 HZ PHE A 71 -7.374 -3.016 -16.959 1.00 0.00 H new ATOM 1153 N ASN A 72 -4.430 -3.784 -11.138 1.00 0.00 N ATOM 1154 CA ASN A 72 -3.835 -5.070 -11.482 1.00 0.00 C ATOM 1155 C ASN A 72 -4.242 -6.143 -10.477 1.00 0.00 C ATOM 1156 O ASN A 72 -4.745 -7.203 -10.853 1.00 0.00 O ATOM 1157 CB ASN A 72 -2.310 -4.954 -11.532 1.00 0.00 C ATOM 1158 CG ASN A 72 -1.814 -4.420 -12.861 1.00 0.00 C ATOM 1159 OD1 ASN A 72 -1.459 -5.186 -13.757 1.00 0.00 O ATOM 1160 ND2 ASN A 72 -1.787 -3.099 -12.995 1.00 0.00 N ATOM 0 H ASN A 72 -3.794 -3.137 -10.672 1.00 0.00 H new ATOM 0 HA ASN A 72 -4.202 -5.360 -12.466 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -1.972 -4.297 -10.731 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -1.868 -5.933 -11.349 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -1.463 -2.681 -13.867 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -2.091 -2.502 -12.226 1.00 0.00 H new ATOM 1167 N LEU A 73 -4.022 -5.862 -9.197 1.00 0.00 N ATOM 1168 CA LEU A 73 -4.366 -6.802 -8.136 1.00 0.00 C ATOM 1169 C LEU A 73 -5.723 -7.446 -8.399 1.00 0.00 C ATOM 1170 O LEU A 73 -5.843 -8.670 -8.448 1.00 0.00 O ATOM 1171 CB LEU A 73 -4.380 -6.091 -6.782 1.00 0.00 C ATOM 1172 CG LEU A 73 -3.052 -5.482 -6.331 1.00 0.00 C ATOM 1173 CD1 LEU A 73 -3.255 -4.608 -5.102 1.00 0.00 C ATOM 1174 CD2 LEU A 73 -2.032 -6.575 -6.047 1.00 0.00 C ATOM 0 H LEU A 73 -3.607 -4.990 -8.869 1.00 0.00 H new ATOM 0 HA LEU A 73 -3.609 -7.586 -8.119 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -5.127 -5.298 -6.818 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -4.707 -6.802 -6.024 1.00 0.00 H new ATOM 0 HG LEU A 73 -2.669 -4.857 -7.138 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -2.299 -4.183 -4.796 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -3.951 -3.803 -5.339 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -3.661 -5.211 -4.290 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -1.093 -6.122 -5.727 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -2.408 -7.227 -5.258 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -1.864 -7.159 -6.952 1.00 0.00 H new ATOM 1186 N LYS A 74 -6.744 -6.613 -8.570 1.00 0.00 N ATOM 1187 CA LYS A 74 -8.094 -7.100 -8.832 1.00 0.00 C ATOM 1188 C LYS A 74 -8.128 -7.956 -10.094 1.00 0.00 C ATOM 1189 O LYS A 74 -8.829 -8.967 -10.150 1.00 0.00 O ATOM 1190 CB LYS A 74 -9.063 -5.924 -8.975 1.00 0.00 C ATOM 1191 CG LYS A 74 -8.674 -4.944 -10.067 1.00 0.00 C ATOM 1192 CD LYS A 74 -9.692 -3.824 -10.201 1.00 0.00 C ATOM 1193 CE LYS A 74 -11.071 -4.364 -10.548 1.00 0.00 C ATOM 1194 NZ LYS A 74 -12.033 -3.270 -10.857 1.00 0.00 N ATOM 0 H LYS A 74 -6.663 -5.597 -8.532 1.00 0.00 H new ATOM 0 HA LYS A 74 -8.402 -7.716 -7.987 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -10.061 -6.310 -9.184 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -9.119 -5.393 -8.025 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -7.694 -4.521 -9.845 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -8.586 -5.472 -11.016 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -9.744 -3.264 -9.267 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -9.368 -3.127 -10.974 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -10.994 -5.033 -11.405 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -11.450 -4.956 -9.715 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -12.961 -3.679 -11.088 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -12.126 -2.646 -10.030 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -11.685 -2.720 -11.668 1.00 0.00 H new ATOM 1208 N ASP A 75 -7.367 -7.547 -11.102 1.00 0.00 N ATOM 1209 CA ASP A 75 -7.308 -8.279 -12.362 1.00 0.00 C ATOM 1210 C ASP A 75 -7.320 -9.785 -12.117 1.00 0.00 C ATOM 1211 O ASP A 75 -6.506 -10.322 -11.366 1.00 0.00 O ATOM 1212 CB ASP A 75 -6.055 -7.887 -13.146 1.00 0.00 C ATOM 1213 CG ASP A 75 -6.248 -8.008 -14.645 1.00 0.00 C ATOM 1214 OD1 ASP A 75 -7.376 -7.757 -15.120 1.00 0.00 O ATOM 1215 OD2 ASP A 75 -5.272 -8.353 -15.343 1.00 0.00 O ATOM 0 H ASP A 75 -6.782 -6.712 -11.072 1.00 0.00 H new ATOM 0 HA ASP A 75 -8.190 -8.017 -12.947 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -5.782 -6.861 -12.899 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -5.224 -8.521 -12.837 1.00 0.00 H new ATOM 1220 N PRO A 76 -8.265 -10.482 -12.764 1.00 0.00 N ATOM 1221 CA PRO A 76 -8.406 -11.936 -12.632 1.00 0.00 C ATOM 1222 C PRO A 76 -7.257 -12.692 -13.291 1.00 0.00 C ATOM 1223 O PRO A 76 -6.982 -13.843 -12.952 1.00 0.00 O ATOM 1224 CB PRO A 76 -9.724 -12.231 -13.353 1.00 0.00 C ATOM 1225 CG PRO A 76 -9.881 -11.115 -14.327 1.00 0.00 C ATOM 1226 CD PRO A 76 -9.268 -9.907 -13.676 1.00 0.00 C ATOM 0 HA PRO A 76 -8.394 -12.254 -11.589 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -9.691 -13.196 -13.859 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -10.559 -12.266 -12.653 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -9.383 -11.346 -15.268 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -10.932 -10.943 -14.557 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -8.810 -9.244 -14.410 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -10.012 -9.320 -13.137 1.00 0.00 H new ATOM 1234 N LYS A 77 -6.589 -12.038 -14.235 1.00 0.00 N ATOM 1235 CA LYS A 77 -5.468 -12.647 -14.941 1.00 0.00 C ATOM 1236 C LYS A 77 -4.211 -12.639 -14.077 1.00 0.00 C ATOM 1237 O LYS A 77 -3.387 -13.549 -14.156 1.00 0.00 O ATOM 1238 CB LYS A 77 -5.202 -11.906 -16.254 1.00 0.00 C ATOM 1239 CG LYS A 77 -6.422 -11.803 -17.152 1.00 0.00 C ATOM 1240 CD LYS A 77 -6.779 -13.148 -17.764 1.00 0.00 C ATOM 1241 CE LYS A 77 -5.823 -13.521 -18.886 1.00 0.00 C ATOM 1242 NZ LYS A 77 -6.131 -12.787 -20.145 1.00 0.00 N ATOM 0 H LYS A 77 -6.805 -11.085 -14.529 1.00 0.00 H new ATOM 0 HA LYS A 77 -5.729 -13.682 -15.161 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -4.842 -10.902 -16.028 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -4.405 -12.417 -16.795 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -7.268 -11.428 -16.576 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -6.231 -11.080 -17.945 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -6.755 -13.918 -16.993 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -7.798 -13.115 -18.149 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -4.800 -13.302 -18.579 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -5.878 -14.594 -19.069 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -5.457 -13.069 -20.885 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -7.098 -13.015 -20.452 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -6.053 -11.763 -19.978 1.00 0.00 H new ATOM 1256 N ASN A 78 -4.073 -11.607 -13.251 1.00 0.00 N ATOM 1257 CA ASN A 78 -2.916 -11.482 -12.371 1.00 0.00 C ATOM 1258 C ASN A 78 -3.215 -12.066 -10.994 1.00 0.00 C ATOM 1259 O ASN A 78 -3.676 -11.362 -10.097 1.00 0.00 O ATOM 1260 CB ASN A 78 -2.508 -10.013 -12.237 1.00 0.00 C ATOM 1261 CG ASN A 78 -1.520 -9.588 -13.306 1.00 0.00 C ATOM 1262 OD1 ASN A 78 -1.743 -9.810 -14.497 1.00 0.00 O ATOM 1263 ND2 ASN A 78 -0.420 -8.974 -12.885 1.00 0.00 N ATOM 0 H ASN A 78 -4.747 -10.846 -13.172 1.00 0.00 H new ATOM 0 HA ASN A 78 -2.092 -12.042 -12.813 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -3.397 -9.385 -12.297 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -2.068 -9.849 -11.253 1.00 0.00 H new ATOM 0 HD21 ASN A 78 0.281 -8.666 -13.558 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -0.277 -8.811 -11.888 1.00 0.00 H new ATOM 1270 N ASN A 79 -2.949 -13.358 -10.835 1.00 0.00 N ATOM 1271 CA ASN A 79 -3.189 -14.038 -9.567 1.00 0.00 C ATOM 1272 C ASN A 79 -1.875 -14.331 -8.850 1.00 0.00 C ATOM 1273 O ASN A 79 -1.728 -15.368 -8.202 1.00 0.00 O ATOM 1274 CB ASN A 79 -3.958 -15.340 -9.800 1.00 0.00 C ATOM 1275 CG ASN A 79 -3.257 -16.257 -10.783 1.00 0.00 C ATOM 1276 OD1 ASN A 79 -2.044 -16.459 -10.705 1.00 0.00 O ATOM 1277 ND2 ASN A 79 -4.018 -16.819 -11.714 1.00 0.00 N ATOM 0 H ASN A 79 -2.567 -13.955 -11.568 1.00 0.00 H new ATOM 0 HA ASN A 79 -3.787 -13.379 -8.937 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -4.085 -15.859 -8.850 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -4.956 -15.108 -10.172 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -3.602 -17.447 -12.402 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -5.019 -16.623 -11.741 1.00 0.00 H new ATOM 1284 N ILE A 80 -0.923 -13.412 -8.969 1.00 0.00 N ATOM 1285 CA ILE A 80 0.377 -13.571 -8.331 1.00 0.00 C ATOM 1286 C ILE A 80 0.743 -12.337 -7.513 1.00 0.00 C ATOM 1287 O ILE A 80 1.044 -12.435 -6.322 1.00 0.00 O ATOM 1288 CB ILE A 80 1.485 -13.832 -9.369 1.00 0.00 C ATOM 1289 CG1 ILE A 80 0.990 -14.803 -10.443 1.00 0.00 C ATOM 1290 CG2 ILE A 80 2.731 -14.378 -8.687 1.00 0.00 C ATOM 1291 CD1 ILE A 80 1.938 -14.943 -11.613 1.00 0.00 C ATOM 0 H ILE A 80 -1.028 -12.549 -9.502 1.00 0.00 H new ATOM 0 HA ILE A 80 0.300 -14.433 -7.669 1.00 0.00 H new ATOM 0 HB ILE A 80 1.742 -12.888 -9.850 1.00 0.00 H new ATOM 0 HG12 ILE A 80 0.835 -15.783 -9.992 1.00 0.00 H new ATOM 0 HG13 ILE A 80 0.021 -14.464 -10.809 1.00 0.00 H new ATOM 0 HG21 ILE A 80 3.505 -14.558 -9.433 1.00 0.00 H new ATOM 0 HG22 ILE A 80 3.092 -13.655 -7.956 1.00 0.00 H new ATOM 0 HG23 ILE A 80 2.489 -15.314 -8.183 1.00 0.00 H new ATOM 0 HD11 ILE A 80 1.523 -15.646 -12.335 1.00 0.00 H new ATOM 0 HD12 ILE A 80 2.074 -13.972 -12.089 1.00 0.00 H new ATOM 0 HD13 ILE A 80 2.901 -15.312 -11.259 1.00 0.00 H new ATOM 1303 N LEU A 81 0.714 -11.177 -8.158 1.00 0.00 N ATOM 1304 CA LEU A 81 1.040 -9.922 -7.489 1.00 0.00 C ATOM 1305 C LEU A 81 0.473 -9.895 -6.074 1.00 0.00 C ATOM 1306 O LEU A 81 1.219 -9.844 -5.095 1.00 0.00 O ATOM 1307 CB LEU A 81 0.497 -8.738 -8.291 1.00 0.00 C ATOM 1308 CG LEU A 81 1.286 -7.432 -8.178 1.00 0.00 C ATOM 1309 CD1 LEU A 81 2.712 -7.626 -8.671 1.00 0.00 C ATOM 1310 CD2 LEU A 81 0.596 -6.323 -8.960 1.00 0.00 C ATOM 0 H LEU A 81 0.468 -11.079 -9.143 1.00 0.00 H new ATOM 0 HA LEU A 81 2.125 -9.844 -7.427 1.00 0.00 H new ATOM 0 HB2 LEU A 81 0.456 -9.025 -9.342 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -0.528 -8.549 -7.972 1.00 0.00 H new ATOM 0 HG LEU A 81 1.322 -7.141 -7.128 1.00 0.00 H new ATOM 0 HD11 LEU A 81 3.258 -6.687 -8.583 1.00 0.00 H new ATOM 0 HD12 LEU A 81 3.204 -8.390 -8.069 1.00 0.00 H new ATOM 0 HD13 LEU A 81 2.697 -7.941 -9.714 1.00 0.00 H new ATOM 0 HD21 LEU A 81 1.171 -5.401 -8.869 1.00 0.00 H new ATOM 0 HD22 LEU A 81 0.529 -6.606 -10.010 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -0.406 -6.166 -8.562 1.00 0.00 H new ATOM 1322 N PHE A 82 -0.852 -9.931 -5.972 1.00 0.00 N ATOM 1323 CA PHE A 82 -1.519 -9.912 -4.676 1.00 0.00 C ATOM 1324 C PHE A 82 -0.763 -10.765 -3.661 1.00 0.00 C ATOM 1325 O PHE A 82 -0.526 -10.341 -2.530 1.00 0.00 O ATOM 1326 CB PHE A 82 -2.957 -10.418 -4.812 1.00 0.00 C ATOM 1327 CG PHE A 82 -3.093 -11.900 -4.610 1.00 0.00 C ATOM 1328 CD1 PHE A 82 -2.702 -12.786 -5.600 1.00 0.00 C ATOM 1329 CD2 PHE A 82 -3.613 -12.407 -3.429 1.00 0.00 C ATOM 1330 CE1 PHE A 82 -2.826 -14.150 -5.417 1.00 0.00 C ATOM 1331 CE2 PHE A 82 -3.740 -13.770 -3.241 1.00 0.00 C ATOM 1332 CZ PHE A 82 -3.345 -14.643 -4.236 1.00 0.00 C ATOM 0 H PHE A 82 -1.484 -9.973 -6.771 1.00 0.00 H new ATOM 0 HA PHE A 82 -1.534 -8.882 -4.319 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -3.586 -9.901 -4.087 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -3.333 -10.158 -5.802 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -2.295 -12.406 -6.526 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -3.922 -11.729 -2.647 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -2.517 -14.830 -6.197 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -4.148 -14.152 -2.317 1.00 0.00 H new ATOM 0 HZ PHE A 82 -3.442 -15.709 -4.091 1.00 0.00 H new ATOM 1342 N LYS A 83 -0.386 -11.970 -4.075 1.00 0.00 N ATOM 1343 CA LYS A 83 0.345 -12.884 -3.205 1.00 0.00 C ATOM 1344 C LYS A 83 1.763 -12.381 -2.955 1.00 0.00 C ATOM 1345 O LYS A 83 2.106 -11.985 -1.841 1.00 0.00 O ATOM 1346 CB LYS A 83 0.390 -14.283 -3.823 1.00 0.00 C ATOM 1347 CG LYS A 83 0.422 -15.401 -2.796 1.00 0.00 C ATOM 1348 CD LYS A 83 -0.194 -16.678 -3.342 1.00 0.00 C ATOM 1349 CE LYS A 83 -0.841 -17.501 -2.238 1.00 0.00 C ATOM 1350 NZ LYS A 83 -0.892 -18.949 -2.584 1.00 0.00 N ATOM 0 H LYS A 83 -0.575 -12.337 -5.008 1.00 0.00 H new ATOM 0 HA LYS A 83 -0.178 -12.932 -2.250 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -0.481 -14.416 -4.465 1.00 0.00 H new ATOM 0 HB3 LYS A 83 1.271 -14.361 -4.460 1.00 0.00 H new ATOM 0 HG2 LYS A 83 1.453 -15.592 -2.497 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -0.117 -15.090 -1.901 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -0.940 -16.430 -4.097 1.00 0.00 H new ATOM 0 HD3 LYS A 83 0.575 -17.271 -3.837 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -0.283 -17.368 -1.311 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -1.852 -17.135 -2.057 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -1.340 -19.476 -1.807 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -1.446 -19.079 -3.455 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 0.074 -19.305 -2.732 1.00 0.00 H new ATOM 1364 N LYS A 84 2.584 -12.397 -4.000 1.00 0.00 N ATOM 1365 CA LYS A 84 3.965 -11.940 -3.896 1.00 0.00 C ATOM 1366 C LYS A 84 4.081 -10.781 -2.912 1.00 0.00 C ATOM 1367 O LYS A 84 5.045 -10.694 -2.151 1.00 0.00 O ATOM 1368 CB LYS A 84 4.487 -11.512 -5.270 1.00 0.00 C ATOM 1369 CG LYS A 84 4.430 -12.615 -6.313 1.00 0.00 C ATOM 1370 CD LYS A 84 5.117 -12.199 -7.603 1.00 0.00 C ATOM 1371 CE LYS A 84 4.176 -11.421 -8.510 1.00 0.00 C ATOM 1372 NZ LYS A 84 4.523 -11.592 -9.947 1.00 0.00 N ATOM 0 H LYS A 84 2.317 -12.722 -4.929 1.00 0.00 H new ATOM 0 HA LYS A 84 4.569 -12.769 -3.527 1.00 0.00 H new ATOM 0 HB2 LYS A 84 3.904 -10.661 -5.622 1.00 0.00 H new ATOM 0 HB3 LYS A 84 5.518 -11.173 -5.168 1.00 0.00 H new ATOM 0 HG2 LYS A 84 4.906 -13.514 -5.920 1.00 0.00 H new ATOM 0 HG3 LYS A 84 3.390 -12.869 -6.519 1.00 0.00 H new ATOM 0 HD2 LYS A 84 5.989 -11.587 -7.371 1.00 0.00 H new ATOM 0 HD3 LYS A 84 5.479 -13.084 -8.126 1.00 0.00 H new ATOM 0 HE2 LYS A 84 3.152 -11.754 -8.342 1.00 0.00 H new ATOM 0 HE3 LYS A 84 4.214 -10.363 -8.251 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 3.858 -11.046 -10.532 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 5.491 -11.251 -10.113 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 4.462 -12.599 -10.201 1.00 0.00 H new ATOM 1386 N VAL A 85 3.094 -9.891 -2.933 1.00 0.00 N ATOM 1387 CA VAL A 85 3.084 -8.738 -2.041 1.00 0.00 C ATOM 1388 C VAL A 85 2.809 -9.159 -0.602 1.00 0.00 C ATOM 1389 O VAL A 85 3.547 -8.796 0.315 1.00 0.00 O ATOM 1390 CB VAL A 85 2.029 -7.703 -2.472 1.00 0.00 C ATOM 1391 CG1 VAL A 85 1.973 -6.551 -1.480 1.00 0.00 C ATOM 1392 CG2 VAL A 85 2.324 -7.195 -3.875 1.00 0.00 C ATOM 0 H VAL A 85 2.290 -9.947 -3.559 1.00 0.00 H new ATOM 0 HA VAL A 85 4.073 -8.283 -2.101 1.00 0.00 H new ATOM 0 HB VAL A 85 1.053 -8.188 -2.483 1.00 0.00 H new ATOM 0 HG11 VAL A 85 1.222 -5.830 -1.802 1.00 0.00 H new ATOM 0 HG12 VAL A 85 1.710 -6.933 -0.493 1.00 0.00 H new ATOM 0 HG13 VAL A 85 2.947 -6.064 -1.433 1.00 0.00 H new ATOM 0 HG21 VAL A 85 1.568 -6.464 -4.164 1.00 0.00 H new ATOM 0 HG22 VAL A 85 3.308 -6.726 -3.893 1.00 0.00 H new ATOM 0 HG23 VAL A 85 2.307 -8.030 -4.575 1.00 0.00 H new ATOM 1402 N LEU A 86 1.742 -9.927 -0.410 1.00 0.00 N ATOM 1403 CA LEU A 86 1.368 -10.399 0.919 1.00 0.00 C ATOM 1404 C LEU A 86 2.470 -11.268 1.518 1.00 0.00 C ATOM 1405 O LEU A 86 2.912 -11.041 2.645 1.00 0.00 O ATOM 1406 CB LEU A 86 0.060 -11.188 0.852 1.00 0.00 C ATOM 1407 CG LEU A 86 -1.223 -10.377 1.036 1.00 0.00 C ATOM 1408 CD1 LEU A 86 -1.316 -9.279 -0.012 1.00 0.00 C ATOM 1409 CD2 LEU A 86 -2.443 -11.286 0.968 1.00 0.00 C ATOM 0 H LEU A 86 1.121 -10.236 -1.158 1.00 0.00 H new ATOM 0 HA LEU A 86 1.228 -9.529 1.561 1.00 0.00 H new ATOM 0 HB2 LEU A 86 0.012 -11.692 -0.113 1.00 0.00 H new ATOM 0 HB3 LEU A 86 0.088 -11.965 1.616 1.00 0.00 H new ATOM 0 HG LEU A 86 -1.196 -9.910 2.020 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -2.236 -8.713 0.135 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -0.460 -8.612 0.083 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -1.320 -9.725 -1.007 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -3.347 -10.692 1.101 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -2.474 -11.782 -0.002 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -2.382 -12.036 1.757 1.00 0.00 H new ATOM 1421 N LYS A 87 2.910 -12.264 0.757 1.00 0.00 N ATOM 1422 CA LYS A 87 3.963 -13.166 1.209 1.00 0.00 C ATOM 1423 C LYS A 87 5.235 -12.393 1.544 1.00 0.00 C ATOM 1424 O LYS A 87 5.911 -12.689 2.528 1.00 0.00 O ATOM 1425 CB LYS A 87 4.259 -14.216 0.137 1.00 0.00 C ATOM 1426 CG LYS A 87 4.740 -15.542 0.700 1.00 0.00 C ATOM 1427 CD LYS A 87 3.609 -16.308 1.365 1.00 0.00 C ATOM 1428 CE LYS A 87 4.134 -17.478 2.183 1.00 0.00 C ATOM 1429 NZ LYS A 87 3.046 -18.421 2.564 1.00 0.00 N ATOM 0 H LYS A 87 2.553 -12.467 -0.177 1.00 0.00 H new ATOM 0 HA LYS A 87 3.615 -13.667 2.112 1.00 0.00 H new ATOM 0 HB2 LYS A 87 3.357 -14.386 -0.451 1.00 0.00 H new ATOM 0 HB3 LYS A 87 5.015 -13.825 -0.544 1.00 0.00 H new ATOM 0 HG2 LYS A 87 5.167 -16.145 -0.101 1.00 0.00 H new ATOM 0 HG3 LYS A 87 5.535 -15.364 1.424 1.00 0.00 H new ATOM 0 HD2 LYS A 87 3.043 -15.636 2.010 1.00 0.00 H new ATOM 0 HD3 LYS A 87 2.920 -16.675 0.604 1.00 0.00 H new ATOM 0 HE2 LYS A 87 4.892 -18.011 1.609 1.00 0.00 H new ATOM 0 HE3 LYS A 87 4.621 -17.102 3.083 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 3.444 -19.204 3.120 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 2.335 -17.919 3.133 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 2.598 -18.799 1.705 1.00 0.00 H new ATOM 1443 N GLY A 88 5.553 -11.400 0.720 1.00 0.00 N ATOM 1444 CA GLY A 88 6.742 -10.600 0.947 1.00 0.00 C ATOM 1445 C GLY A 88 7.572 -10.424 -0.310 1.00 0.00 C ATOM 1446 O GLY A 88 8.325 -9.459 -0.434 1.00 0.00 O ATOM 0 H GLY A 88 5.008 -11.135 -0.101 1.00 0.00 H new ATOM 0 HA2 GLY A 88 6.450 -9.621 1.326 1.00 0.00 H new ATOM 0 HA3 GLY A 88 7.351 -11.071 1.718 1.00 0.00 H new ATOM 1450 N GLU A 89 7.435 -11.361 -1.243 1.00 0.00 N ATOM 1451 CA GLU A 89 8.181 -11.306 -2.495 1.00 0.00 C ATOM 1452 C GLU A 89 8.287 -9.871 -3.002 1.00 0.00 C ATOM 1453 O GLU A 89 9.334 -9.450 -3.495 1.00 0.00 O ATOM 1454 CB GLU A 89 7.510 -12.184 -3.553 1.00 0.00 C ATOM 1455 CG GLU A 89 7.706 -13.673 -3.322 1.00 0.00 C ATOM 1456 CD GLU A 89 7.340 -14.505 -4.535 1.00 0.00 C ATOM 1457 OE1 GLU A 89 8.189 -14.636 -5.442 1.00 0.00 O ATOM 1458 OE2 GLU A 89 6.206 -15.025 -4.579 1.00 0.00 O ATOM 0 H GLU A 89 6.815 -12.166 -1.156 1.00 0.00 H new ATOM 0 HA GLU A 89 9.187 -11.682 -2.306 1.00 0.00 H new ATOM 0 HB2 GLU A 89 6.442 -11.965 -3.571 1.00 0.00 H new ATOM 0 HB3 GLU A 89 7.905 -11.922 -4.534 1.00 0.00 H new ATOM 0 HG2 GLU A 89 8.746 -13.862 -3.057 1.00 0.00 H new ATOM 0 HG3 GLU A 89 7.099 -13.988 -2.473 1.00 0.00 H new ATOM 1465 N VAL A 90 7.194 -9.123 -2.879 1.00 0.00 N ATOM 1466 CA VAL A 90 7.164 -7.735 -3.324 1.00 0.00 C ATOM 1467 C VAL A 90 6.796 -6.799 -2.178 1.00 0.00 C ATOM 1468 O VAL A 90 5.780 -6.988 -1.508 1.00 0.00 O ATOM 1469 CB VAL A 90 6.161 -7.537 -4.476 1.00 0.00 C ATOM 1470 CG1 VAL A 90 5.838 -6.062 -4.656 1.00 0.00 C ATOM 1471 CG2 VAL A 90 6.706 -8.134 -5.765 1.00 0.00 C ATOM 0 H VAL A 90 6.318 -9.455 -2.475 1.00 0.00 H new ATOM 0 HA VAL A 90 8.166 -7.494 -3.679 1.00 0.00 H new ATOM 0 HB VAL A 90 5.237 -8.058 -4.224 1.00 0.00 H new ATOM 0 HG11 VAL A 90 5.128 -5.942 -5.474 1.00 0.00 H new ATOM 0 HG12 VAL A 90 5.402 -5.670 -3.737 1.00 0.00 H new ATOM 0 HG13 VAL A 90 6.752 -5.515 -4.886 1.00 0.00 H new ATOM 0 HG21 VAL A 90 5.985 -7.985 -6.568 1.00 0.00 H new ATOM 0 HG22 VAL A 90 7.644 -7.644 -6.025 1.00 0.00 H new ATOM 0 HG23 VAL A 90 6.880 -9.201 -5.627 1.00 0.00 H new ATOM 1481 N THR A 91 7.629 -5.786 -1.958 1.00 0.00 N ATOM 1482 CA THR A 91 7.393 -4.820 -0.893 1.00 0.00 C ATOM 1483 C THR A 91 6.388 -3.758 -1.327 1.00 0.00 C ATOM 1484 O THR A 91 6.252 -3.444 -2.509 1.00 0.00 O ATOM 1485 CB THR A 91 8.700 -4.128 -0.462 1.00 0.00 C ATOM 1486 OG1 THR A 91 9.486 -3.806 -1.614 1.00 0.00 O ATOM 1487 CG2 THR A 91 9.502 -5.021 0.473 1.00 0.00 C ATOM 0 H THR A 91 8.473 -5.614 -2.504 1.00 0.00 H new ATOM 0 HA THR A 91 6.989 -5.375 -0.047 1.00 0.00 H new ATOM 0 HB THR A 91 8.443 -3.212 0.069 1.00 0.00 H new ATOM 0 HG1 THR A 91 10.314 -3.365 -1.332 1.00 0.00 H new ATOM 0 HG21 THR A 91 10.421 -4.511 0.764 1.00 0.00 H new ATOM 0 HG22 THR A 91 8.911 -5.240 1.362 1.00 0.00 H new ATOM 0 HG23 THR A 91 9.750 -5.952 -0.037 1.00 0.00 H new ATOM 1495 N PRO A 92 5.667 -3.190 -0.349 1.00 0.00 N ATOM 1496 CA PRO A 92 4.663 -2.154 -0.606 1.00 0.00 C ATOM 1497 C PRO A 92 5.290 -0.835 -1.043 1.00 0.00 C ATOM 1498 O PRO A 92 4.890 -0.250 -2.050 1.00 0.00 O ATOM 1499 CB PRO A 92 3.966 -1.992 0.747 1.00 0.00 C ATOM 1500 CG PRO A 92 4.977 -2.430 1.749 1.00 0.00 C ATOM 1501 CD PRO A 92 5.777 -3.516 1.083 1.00 0.00 C ATOM 0 HA PRO A 92 3.990 -2.431 -1.417 1.00 0.00 H new ATOM 0 HB2 PRO A 92 3.664 -0.958 0.915 1.00 0.00 H new ATOM 0 HB3 PRO A 92 3.064 -2.601 0.803 1.00 0.00 H new ATOM 0 HG2 PRO A 92 5.618 -1.600 2.046 1.00 0.00 H new ATOM 0 HG3 PRO A 92 4.495 -2.800 2.654 1.00 0.00 H new ATOM 0 HD2 PRO A 92 6.814 -3.514 1.417 1.00 0.00 H new ATOM 0 HD3 PRO A 92 5.374 -4.505 1.302 1.00 0.00 H new ATOM 1509 N ASP A 93 6.275 -0.372 -0.281 1.00 0.00 N ATOM 1510 CA ASP A 93 6.959 0.878 -0.591 1.00 0.00 C ATOM 1511 C ASP A 93 7.573 0.830 -1.986 1.00 0.00 C ATOM 1512 O ASP A 93 7.854 1.866 -2.589 1.00 0.00 O ATOM 1513 CB ASP A 93 8.044 1.162 0.449 1.00 0.00 C ATOM 1514 CG ASP A 93 8.765 -0.096 0.891 1.00 0.00 C ATOM 1515 OD1 ASP A 93 9.268 -0.831 0.015 1.00 0.00 O ATOM 1516 OD2 ASP A 93 8.827 -0.346 2.113 1.00 0.00 O ATOM 0 H ASP A 93 6.618 -0.844 0.556 1.00 0.00 H new ATOM 0 HA ASP A 93 6.224 1.682 -0.566 1.00 0.00 H new ATOM 0 HB2 ASP A 93 8.766 1.865 0.034 1.00 0.00 H new ATOM 0 HB3 ASP A 93 7.594 1.644 1.317 1.00 0.00 H new ATOM 1521 N HIS A 94 7.781 -0.381 -2.494 1.00 0.00 N ATOM 1522 CA HIS A 94 8.364 -0.565 -3.819 1.00 0.00 C ATOM 1523 C HIS A 94 7.274 -0.690 -4.879 1.00 0.00 C ATOM 1524 O HIS A 94 7.439 -0.235 -6.011 1.00 0.00 O ATOM 1525 CB HIS A 94 9.256 -1.806 -3.839 1.00 0.00 C ATOM 1526 CG HIS A 94 10.348 -1.742 -4.862 1.00 0.00 C ATOM 1527 ND1 HIS A 94 11.447 -0.919 -4.739 1.00 0.00 N ATOM 1528 CD2 HIS A 94 10.506 -2.408 -6.030 1.00 0.00 C ATOM 1529 CE1 HIS A 94 12.233 -1.078 -5.788 1.00 0.00 C ATOM 1530 NE2 HIS A 94 11.686 -1.977 -6.587 1.00 0.00 N ATOM 0 H HIS A 94 7.555 -1.249 -2.009 1.00 0.00 H new ATOM 0 HA HIS A 94 8.970 0.312 -4.048 1.00 0.00 H new ATOM 0 HB2 HIS A 94 9.701 -1.940 -2.853 1.00 0.00 H new ATOM 0 HB3 HIS A 94 8.639 -2.684 -4.032 1.00 0.00 H new ATOM 0 HD2 HIS A 94 9.831 -3.141 -6.446 1.00 0.00 H new ATOM 0 HE1 HIS A 94 13.165 -0.561 -5.963 1.00 0.00 H new ATOM 0 HE2 HIS A 94 12.076 -2.299 -7.473 1.00 0.00 H new ATOM 1539 N LEU A 95 6.159 -1.309 -4.504 1.00 0.00 N ATOM 1540 CA LEU A 95 5.042 -1.494 -5.423 1.00 0.00 C ATOM 1541 C LEU A 95 4.788 -0.228 -6.235 1.00 0.00 C ATOM 1542 O LEU A 95 4.288 -0.290 -7.359 1.00 0.00 O ATOM 1543 CB LEU A 95 3.779 -1.880 -4.650 1.00 0.00 C ATOM 1544 CG LEU A 95 2.464 -1.787 -5.424 1.00 0.00 C ATOM 1545 CD1 LEU A 95 2.364 -2.911 -6.443 1.00 0.00 C ATOM 1546 CD2 LEU A 95 1.279 -1.823 -4.469 1.00 0.00 C ATOM 0 H LEU A 95 6.005 -1.691 -3.571 1.00 0.00 H new ATOM 0 HA LEU A 95 5.300 -2.299 -6.112 1.00 0.00 H new ATOM 0 HB2 LEU A 95 3.895 -2.903 -4.292 1.00 0.00 H new ATOM 0 HB3 LEU A 95 3.706 -1.240 -3.770 1.00 0.00 H new ATOM 0 HG LEU A 95 2.446 -0.837 -5.958 1.00 0.00 H new ATOM 0 HD11 LEU A 95 1.422 -2.829 -6.984 1.00 0.00 H new ATOM 0 HD12 LEU A 95 3.194 -2.840 -7.146 1.00 0.00 H new ATOM 0 HD13 LEU A 95 2.405 -3.872 -5.930 1.00 0.00 H new ATOM 0 HD21 LEU A 95 0.351 -1.756 -5.037 1.00 0.00 H new ATOM 0 HD22 LEU A 95 1.293 -2.757 -3.907 1.00 0.00 H new ATOM 0 HD23 LEU A 95 1.343 -0.982 -3.778 1.00 0.00 H new ATOM 1558 N ILE A 96 5.138 0.917 -5.660 1.00 0.00 N ATOM 1559 CA ILE A 96 4.952 2.197 -6.332 1.00 0.00 C ATOM 1560 C ILE A 96 6.057 2.449 -7.352 1.00 0.00 C ATOM 1561 O ILE A 96 5.787 2.774 -8.508 1.00 0.00 O ATOM 1562 CB ILE A 96 4.922 3.362 -5.325 1.00 0.00 C ATOM 1563 CG1 ILE A 96 4.017 3.019 -4.141 1.00 0.00 C ATOM 1564 CG2 ILE A 96 4.451 4.639 -6.006 1.00 0.00 C ATOM 1565 CD1 ILE A 96 4.200 3.939 -2.954 1.00 0.00 C ATOM 0 H ILE A 96 5.552 0.985 -4.730 1.00 0.00 H new ATOM 0 HA ILE A 96 3.992 2.147 -6.846 1.00 0.00 H new ATOM 0 HB ILE A 96 5.933 3.524 -4.950 1.00 0.00 H new ATOM 0 HG12 ILE A 96 2.977 3.060 -4.465 1.00 0.00 H new ATOM 0 HG13 ILE A 96 4.214 1.993 -3.829 1.00 0.00 H new ATOM 0 HG21 ILE A 96 4.435 5.453 -5.281 1.00 0.00 H new ATOM 0 HG22 ILE A 96 5.132 4.890 -6.819 1.00 0.00 H new ATOM 0 HG23 ILE A 96 3.448 4.490 -6.406 1.00 0.00 H new ATOM 0 HD11 ILE A 96 3.527 3.637 -2.152 1.00 0.00 H new ATOM 0 HD12 ILE A 96 5.231 3.881 -2.604 1.00 0.00 H new ATOM 0 HD13 ILE A 96 3.975 4.964 -3.250 1.00 0.00 H new ATOM 1577 N ARG A 97 7.303 2.295 -6.916 1.00 0.00 N ATOM 1578 CA ARG A 97 8.450 2.505 -7.791 1.00 0.00 C ATOM 1579 C ARG A 97 8.358 1.620 -9.030 1.00 0.00 C ATOM 1580 O ARG A 97 8.904 1.950 -10.082 1.00 0.00 O ATOM 1581 CB ARG A 97 9.751 2.216 -7.039 1.00 0.00 C ATOM 1582 CG ARG A 97 10.049 3.213 -5.932 1.00 0.00 C ATOM 1583 CD ARG A 97 11.527 3.220 -5.571 1.00 0.00 C ATOM 1584 NE ARG A 97 12.355 3.713 -6.669 1.00 0.00 N ATOM 1585 CZ ARG A 97 12.464 4.998 -6.989 1.00 0.00 C ATOM 1586 NH1 ARG A 97 11.800 5.914 -6.298 1.00 0.00 N ATOM 1587 NH2 ARG A 97 13.238 5.367 -8.001 1.00 0.00 N ATOM 0 H ARG A 97 7.544 2.026 -5.962 1.00 0.00 H new ATOM 0 HA ARG A 97 8.446 3.547 -8.110 1.00 0.00 H new ATOM 0 HB2 ARG A 97 9.698 1.215 -6.610 1.00 0.00 H new ATOM 0 HB3 ARG A 97 10.578 2.216 -7.749 1.00 0.00 H new ATOM 0 HG2 ARG A 97 9.746 4.211 -6.249 1.00 0.00 H new ATOM 0 HG3 ARG A 97 9.459 2.966 -5.050 1.00 0.00 H new ATOM 0 HD2 ARG A 97 11.683 3.844 -4.691 1.00 0.00 H new ATOM 0 HD3 ARG A 97 11.840 2.210 -5.305 1.00 0.00 H new ATOM 0 HE ARG A 97 12.878 3.033 -7.221 1.00 0.00 H new ATOM 0 HH11 ARG A 97 11.204 5.633 -5.519 1.00 0.00 H new ATOM 0 HH12 ARG A 97 11.885 6.900 -6.545 1.00 0.00 H new ATOM 0 HH21 ARG A 97 13.750 4.664 -8.534 1.00 0.00 H new ATOM 0 HH22 ARG A 97 13.321 6.354 -8.246 1.00 0.00 H new ATOM 1601 N MET A 98 7.665 0.494 -8.896 1.00 0.00 N ATOM 1602 CA MET A 98 7.501 -0.439 -10.005 1.00 0.00 C ATOM 1603 C MET A 98 6.855 0.249 -11.203 1.00 0.00 C ATOM 1604 O MET A 98 6.029 1.148 -11.044 1.00 0.00 O ATOM 1605 CB MET A 98 6.653 -1.636 -9.572 1.00 0.00 C ATOM 1606 CG MET A 98 7.265 -2.433 -8.431 1.00 0.00 C ATOM 1607 SD MET A 98 8.353 -3.750 -9.008 1.00 0.00 S ATOM 1608 CE MET A 98 7.189 -5.100 -9.181 1.00 0.00 C ATOM 0 H MET A 98 7.208 0.205 -8.031 1.00 0.00 H new ATOM 0 HA MET A 98 8.490 -0.791 -10.300 1.00 0.00 H new ATOM 0 HB2 MET A 98 5.667 -1.282 -9.270 1.00 0.00 H new ATOM 0 HB3 MET A 98 6.506 -2.295 -10.427 1.00 0.00 H new ATOM 0 HG2 MET A 98 7.827 -1.760 -7.784 1.00 0.00 H new ATOM 0 HG3 MET A 98 6.468 -2.865 -7.826 1.00 0.00 H new ATOM 0 HE1 MET A 98 7.713 -5.989 -9.532 1.00 0.00 H new ATOM 0 HE2 MET A 98 6.727 -5.308 -8.216 1.00 0.00 H new ATOM 0 HE3 MET A 98 6.418 -4.825 -9.901 1.00 0.00 H new ATOM 1618 N SER A 99 7.238 -0.177 -12.402 1.00 0.00 N ATOM 1619 CA SER A 99 6.698 0.401 -13.627 1.00 0.00 C ATOM 1620 C SER A 99 5.339 -0.205 -13.962 1.00 0.00 C ATOM 1621 O SER A 99 5.009 -1.318 -13.551 1.00 0.00 O ATOM 1622 CB SER A 99 7.668 0.180 -14.791 1.00 0.00 C ATOM 1623 OG SER A 99 8.364 -1.046 -14.648 1.00 0.00 O ATOM 0 H SER A 99 7.920 -0.920 -12.551 1.00 0.00 H new ATOM 0 HA SER A 99 6.569 1.472 -13.468 1.00 0.00 H new ATOM 0 HB2 SER A 99 7.118 0.182 -15.732 1.00 0.00 H new ATOM 0 HB3 SER A 99 8.381 1.003 -14.836 1.00 0.00 H new ATOM 0 HG SER A 99 8.976 -1.165 -15.404 1.00 0.00 H new ATOM 1629 N PRO A 100 4.529 0.545 -14.725 1.00 0.00 N ATOM 1630 CA PRO A 100 3.192 0.103 -15.132 1.00 0.00 C ATOM 1631 C PRO A 100 3.242 -1.043 -16.137 1.00 0.00 C ATOM 1632 O PRO A 100 2.206 -1.504 -16.617 1.00 0.00 O ATOM 1633 CB PRO A 100 2.586 1.353 -15.775 1.00 0.00 C ATOM 1634 CG PRO A 100 3.758 2.146 -16.241 1.00 0.00 C ATOM 1635 CD PRO A 100 4.858 1.881 -15.250 1.00 0.00 C ATOM 0 HA PRO A 100 2.616 -0.282 -14.291 1.00 0.00 H new ATOM 0 HB2 PRO A 100 1.929 1.092 -16.605 1.00 0.00 H new ATOM 0 HB3 PRO A 100 1.987 1.916 -15.059 1.00 0.00 H new ATOM 0 HG2 PRO A 100 4.057 1.847 -17.245 1.00 0.00 H new ATOM 0 HG3 PRO A 100 3.518 3.208 -16.283 1.00 0.00 H new ATOM 0 HD2 PRO A 100 5.839 1.896 -15.725 1.00 0.00 H new ATOM 0 HD3 PRO A 100 4.875 2.631 -14.459 1.00 0.00 H new ATOM 1643 N GLU A 101 4.451 -1.497 -16.451 1.00 0.00 N ATOM 1644 CA GLU A 101 4.633 -2.589 -17.400 1.00 0.00 C ATOM 1645 C GLU A 101 4.953 -3.893 -16.674 1.00 0.00 C ATOM 1646 O GLU A 101 4.506 -4.966 -17.079 1.00 0.00 O ATOM 1647 CB GLU A 101 5.753 -2.255 -18.387 1.00 0.00 C ATOM 1648 CG GLU A 101 5.704 -3.077 -19.664 1.00 0.00 C ATOM 1649 CD GLU A 101 6.945 -2.901 -20.519 1.00 0.00 C ATOM 1650 OE1 GLU A 101 8.005 -3.444 -20.146 1.00 0.00 O ATOM 1651 OE2 GLU A 101 6.854 -2.220 -21.562 1.00 0.00 O ATOM 0 H GLU A 101 5.318 -1.126 -16.063 1.00 0.00 H new ATOM 0 HA GLU A 101 3.700 -2.718 -17.949 1.00 0.00 H new ATOM 0 HB2 GLU A 101 5.696 -1.197 -18.643 1.00 0.00 H new ATOM 0 HB3 GLU A 101 6.715 -2.414 -17.899 1.00 0.00 H new ATOM 0 HG2 GLU A 101 5.589 -4.131 -19.409 1.00 0.00 H new ATOM 0 HG3 GLU A 101 4.825 -2.791 -20.242 1.00 0.00 H new ATOM 1658 N GLU A 102 5.729 -3.791 -15.600 1.00 0.00 N ATOM 1659 CA GLU A 102 6.110 -4.962 -14.819 1.00 0.00 C ATOM 1660 C GLU A 102 4.935 -5.465 -13.985 1.00 0.00 C ATOM 1661 O GLU A 102 4.775 -6.668 -13.779 1.00 0.00 O ATOM 1662 CB GLU A 102 7.293 -4.632 -13.907 1.00 0.00 C ATOM 1663 CG GLU A 102 8.584 -4.356 -14.660 1.00 0.00 C ATOM 1664 CD GLU A 102 9.728 -3.982 -13.739 1.00 0.00 C ATOM 1665 OE1 GLU A 102 9.493 -3.218 -12.780 1.00 0.00 O ATOM 1666 OE2 GLU A 102 10.860 -4.454 -13.978 1.00 0.00 O ATOM 0 H GLU A 102 6.106 -2.910 -15.251 1.00 0.00 H new ATOM 0 HA GLU A 102 6.405 -5.749 -15.513 1.00 0.00 H new ATOM 0 HB2 GLU A 102 7.042 -3.761 -13.302 1.00 0.00 H new ATOM 0 HB3 GLU A 102 7.454 -5.463 -13.220 1.00 0.00 H new ATOM 0 HG2 GLU A 102 8.860 -5.239 -15.236 1.00 0.00 H new ATOM 0 HG3 GLU A 102 8.418 -3.549 -15.374 1.00 0.00 H new ATOM 1673 N LEU A 103 4.116 -4.534 -13.507 1.00 0.00 N ATOM 1674 CA LEU A 103 2.956 -4.881 -12.694 1.00 0.00 C ATOM 1675 C LEU A 103 2.126 -5.970 -13.366 1.00 0.00 C ATOM 1676 O LEU A 103 1.492 -6.784 -12.695 1.00 0.00 O ATOM 1677 CB LEU A 103 2.091 -3.643 -12.449 1.00 0.00 C ATOM 1678 CG LEU A 103 2.639 -2.631 -11.442 1.00 0.00 C ATOM 1679 CD1 LEU A 103 1.849 -1.333 -11.506 1.00 0.00 C ATOM 1680 CD2 LEU A 103 2.606 -3.208 -10.034 1.00 0.00 C ATOM 0 H LEU A 103 4.234 -3.534 -13.668 1.00 0.00 H new ATOM 0 HA LEU A 103 3.315 -5.261 -11.737 1.00 0.00 H new ATOM 0 HB2 LEU A 103 1.942 -3.134 -13.401 1.00 0.00 H new ATOM 0 HB3 LEU A 103 1.110 -3.972 -12.106 1.00 0.00 H new ATOM 0 HG LEU A 103 3.676 -2.415 -11.701 1.00 0.00 H new ATOM 0 HD11 LEU A 103 2.253 -0.625 -10.783 1.00 0.00 H new ATOM 0 HD12 LEU A 103 1.924 -0.911 -12.508 1.00 0.00 H new ATOM 0 HD13 LEU A 103 0.803 -1.532 -11.273 1.00 0.00 H new ATOM 0 HD21 LEU A 103 3.000 -2.474 -9.331 1.00 0.00 H new ATOM 0 HD22 LEU A 103 1.579 -3.453 -9.765 1.00 0.00 H new ATOM 0 HD23 LEU A 103 3.216 -4.110 -9.996 1.00 0.00 H new