USER MOD reduce.3.24.130724 H: found=0, std=0, add=829, rem=0, adj=21 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 19 SER OG : rot 170:sc= 0 USER MOD Set 1.2: A 66 TYR OH : rot -63:sc= -0.542 USER MOD Set 1.3: A 70 MET CE :methyl -119:sc= -2.26 (180deg=-0.671) USER MOD Set 1.4: A 74 LYS NZ :NH3+ 147:sc= -2.31! (180deg=-2.05!) USER MOD Single : A 11 GLN : amide:sc= -0.126 K(o=-0.13,f=-1.7!) USER MOD Single : A 14 GLN : amide:sc= -0.0633 K(o=-0.063,f=-1.5) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 18 HIS : no HD1:sc= -0.0106 X(o=-0.011,f=0) USER MOD Single : A 21 LYS NZ :NH3+ -153:sc= 0.0605 (180deg=0) USER MOD Single : A 25 MET CE :methyl 177:sc= -3.14 (180deg=-3.22) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 95:sc= 0.0142 USER MOD Single : A 32 ASN : amide:sc= -0.329 X(o=-0.33,f=-0.53) 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 69:sc= 0.848 USER MOD Single : A 46 LYS NZ :NH3+ 156:sc= -0.236 (180deg=-0.836) USER MOD Single : A 49 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.088) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 58 THR OG1 : rot 62:sc= 0.104 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= -0.0379 K(o=-0.038,f=-0.96) 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 72 ASN : amide:sc=-0.00584 X(o=-0.0058,f=-0.069) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 ASN : amide:sc= -1.64 X(o=-1.6,f=-2!) USER MOD Single : A 79 ASN : amide:sc= -1 X(o=-1,f=-0.59) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 LYS NZ :NH3+ 160:sc= 0 (180deg=-0.186) USER MOD Single : A 87 LYS NZ :NH3+ 156:sc= -1.15 (180deg=-2.11!) USER MOD Single : A 91 THR OG1 : rot -170:sc= -0.638 USER MOD Single : A 94 HIS : no HD1:sc= 0 X(o=0,f=-0.012) USER MOD Single : A 98 MET CE :methyl 160:sc= -0.0968 (180deg=-0.513) USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 77 N ALA A 9 -8.973 15.831 1.290 1.00 0.00 N ATOM 78 CA ALA A 9 -7.804 15.040 0.924 1.00 0.00 C ATOM 79 C ALA A 9 -7.628 13.853 1.864 1.00 0.00 C ATOM 80 O ALA A 9 -7.299 12.749 1.430 1.00 0.00 O ATOM 81 CB ALA A 9 -6.556 15.910 0.929 1.00 0.00 C ATOM 0 HA ALA A 9 -7.959 14.652 -0.083 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -5.691 15.307 0.654 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -6.675 16.722 0.211 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -6.406 16.326 1.925 1.00 0.00 H new ATOM 87 N ASP A 10 -7.847 14.087 3.153 1.00 0.00 N ATOM 88 CA ASP A 10 -7.712 13.037 4.155 1.00 0.00 C ATOM 89 C ASP A 10 -8.568 11.827 3.793 1.00 0.00 C ATOM 90 O ASP A 10 -8.217 10.690 4.107 1.00 0.00 O ATOM 91 CB ASP A 10 -8.110 13.564 5.535 1.00 0.00 C ATOM 92 CG ASP A 10 -7.999 12.504 6.613 1.00 0.00 C ATOM 93 OD1 ASP A 10 -8.562 11.405 6.426 1.00 0.00 O ATOM 94 OD2 ASP A 10 -7.349 12.774 7.645 1.00 0.00 O ATOM 0 H ASP A 10 -8.119 14.995 3.529 1.00 0.00 H new ATOM 0 HA ASP A 10 -6.668 12.726 4.181 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -7.474 14.410 5.795 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -9.134 13.934 5.498 1.00 0.00 H new ATOM 99 N GLN A 11 -9.693 12.082 3.132 1.00 0.00 N ATOM 100 CA GLN A 11 -10.600 11.013 2.729 1.00 0.00 C ATOM 101 C GLN A 11 -10.017 10.212 1.570 1.00 0.00 C ATOM 102 O GLN A 11 -9.815 9.002 1.678 1.00 0.00 O ATOM 103 CB GLN A 11 -11.959 11.592 2.332 1.00 0.00 C ATOM 104 CG GLN A 11 -12.914 10.561 1.753 1.00 0.00 C ATOM 105 CD GLN A 11 -13.713 9.841 2.821 1.00 0.00 C ATOM 106 OE1 GLN A 11 -13.948 10.377 3.905 1.00 0.00 O ATOM 107 NE2 GLN A 11 -14.136 8.618 2.521 1.00 0.00 N ATOM 0 H GLN A 11 -9.998 13.018 2.865 1.00 0.00 H new ATOM 0 HA GLN A 11 -10.732 10.343 3.579 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -12.419 12.050 3.208 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -11.807 12.385 1.600 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -13.599 11.053 1.062 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -12.348 9.831 1.175 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -13.919 8.212 1.611 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -14.678 8.085 3.201 1.00 0.00 H new ATOM 116 N ILE A 12 -9.749 10.895 0.461 1.00 0.00 N ATOM 117 CA ILE A 12 -9.188 10.246 -0.717 1.00 0.00 C ATOM 118 C ILE A 12 -8.174 9.177 -0.326 1.00 0.00 C ATOM 119 O ILE A 12 -8.196 8.064 -0.853 1.00 0.00 O ATOM 120 CB ILE A 12 -8.508 11.265 -1.651 1.00 0.00 C ATOM 121 CG1 ILE A 12 -9.525 12.298 -2.142 1.00 0.00 C ATOM 122 CG2 ILE A 12 -7.857 10.554 -2.828 1.00 0.00 C ATOM 123 CD1 ILE A 12 -8.892 13.514 -2.781 1.00 0.00 C ATOM 0 H ILE A 12 -9.911 11.896 0.354 1.00 0.00 H new ATOM 0 HA ILE A 12 -10.019 9.779 -1.245 1.00 0.00 H new ATOM 0 HB ILE A 12 -7.731 11.785 -1.091 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -10.192 11.825 -2.863 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -10.140 12.618 -1.301 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -7.381 11.288 -3.478 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -7.107 9.854 -2.460 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -8.616 10.010 -3.390 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -9.672 14.203 -3.105 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -8.247 14.011 -2.057 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -8.300 13.206 -3.643 1.00 0.00 H new ATOM 135 N ARG A 13 -7.287 9.521 0.601 1.00 0.00 N ATOM 136 CA ARG A 13 -6.264 8.590 1.063 1.00 0.00 C ATOM 137 C ARG A 13 -6.891 7.435 1.839 1.00 0.00 C ATOM 138 O ARG A 13 -6.569 6.271 1.605 1.00 0.00 O ATOM 139 CB ARG A 13 -5.244 9.315 1.943 1.00 0.00 C ATOM 140 CG ARG A 13 -4.734 10.614 1.341 1.00 0.00 C ATOM 141 CD ARG A 13 -3.575 11.183 2.143 1.00 0.00 C ATOM 142 NE ARG A 13 -4.034 12.023 3.247 1.00 0.00 N ATOM 143 CZ ARG A 13 -3.267 12.370 4.275 1.00 0.00 C ATOM 144 NH1 ARG A 13 -2.010 11.952 4.339 1.00 0.00 N ATOM 145 NH2 ARG A 13 -3.756 13.137 5.240 1.00 0.00 N ATOM 0 H ARG A 13 -7.256 10.438 1.047 1.00 0.00 H new ATOM 0 HA ARG A 13 -5.756 8.184 0.188 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -5.698 9.527 2.911 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -4.398 8.652 2.125 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -4.416 10.439 0.313 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -5.544 11.342 1.304 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -2.970 10.366 2.536 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -2.932 11.768 1.486 1.00 0.00 H new ATOM 0 HE ARG A 13 -4.996 12.362 3.227 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -1.630 11.363 3.598 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -1.423 12.220 5.129 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -4.722 13.461 5.194 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -3.166 13.403 6.029 1.00 0.00 H new ATOM 159 N GLN A 14 -7.788 7.767 2.763 1.00 0.00 N ATOM 160 CA GLN A 14 -8.458 6.758 3.573 1.00 0.00 C ATOM 161 C GLN A 14 -9.116 5.701 2.692 1.00 0.00 C ATOM 162 O GLN A 14 -8.872 4.505 2.852 1.00 0.00 O ATOM 163 CB GLN A 14 -9.507 7.411 4.476 1.00 0.00 C ATOM 164 CG GLN A 14 -9.778 6.636 5.754 1.00 0.00 C ATOM 165 CD GLN A 14 -8.855 7.038 6.888 1.00 0.00 C ATOM 166 OE1 GLN A 14 -7.927 7.825 6.699 1.00 0.00 O ATOM 167 NE2 GLN A 14 -9.105 6.499 8.075 1.00 0.00 N ATOM 0 H GLN A 14 -8.067 8.726 2.968 1.00 0.00 H new ATOM 0 HA GLN A 14 -7.707 6.271 4.194 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -9.176 8.417 4.734 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -10.439 7.515 3.920 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -10.812 6.796 6.059 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -9.664 5.570 5.559 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -9.885 5.851 8.187 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -8.517 6.733 8.875 1.00 0.00 H new ATOM 176 N SER A 15 -9.953 6.151 1.762 1.00 0.00 N ATOM 177 CA SER A 15 -10.650 5.244 0.858 1.00 0.00 C ATOM 178 C SER A 15 -9.663 4.328 0.140 1.00 0.00 C ATOM 179 O SER A 15 -9.934 3.146 -0.070 1.00 0.00 O ATOM 180 CB SER A 15 -11.465 6.036 -0.166 1.00 0.00 C ATOM 181 OG SER A 15 -12.388 5.200 -0.841 1.00 0.00 O ATOM 0 H SER A 15 -10.165 7.138 1.615 1.00 0.00 H new ATOM 0 HA SER A 15 -11.326 4.628 1.451 1.00 0.00 H new ATOM 0 HB2 SER A 15 -12.000 6.842 0.336 1.00 0.00 H new ATOM 0 HB3 SER A 15 -10.794 6.500 -0.889 1.00 0.00 H new ATOM 0 HG SER A 15 -12.897 5.731 -1.489 1.00 0.00 H new ATOM 187 N VAL A 16 -8.515 4.884 -0.235 1.00 0.00 N ATOM 188 CA VAL A 16 -7.486 4.118 -0.929 1.00 0.00 C ATOM 189 C VAL A 16 -7.046 2.914 -0.104 1.00 0.00 C ATOM 190 O VAL A 16 -6.838 1.825 -0.638 1.00 0.00 O ATOM 191 CB VAL A 16 -6.254 4.989 -1.242 1.00 0.00 C ATOM 192 CG1 VAL A 16 -5.146 4.146 -1.855 1.00 0.00 C ATOM 193 CG2 VAL A 16 -6.635 6.137 -2.165 1.00 0.00 C ATOM 0 H VAL A 16 -8.274 5.861 -0.070 1.00 0.00 H new ATOM 0 HA VAL A 16 -7.926 3.772 -1.865 1.00 0.00 H new ATOM 0 HB VAL A 16 -5.882 5.411 -0.309 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -4.284 4.778 -2.069 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -4.856 3.362 -1.156 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -5.503 3.693 -2.780 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -5.753 6.742 -2.376 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -7.032 5.737 -3.098 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -7.393 6.755 -1.683 1.00 0.00 H new ATOM 203 N ARG A 17 -6.907 3.118 1.202 1.00 0.00 N ATOM 204 CA ARG A 17 -6.491 2.049 2.102 1.00 0.00 C ATOM 205 C ARG A 17 -7.509 0.912 2.103 1.00 0.00 C ATOM 206 O ARG A 17 -7.195 -0.217 1.726 1.00 0.00 O ATOM 207 CB ARG A 17 -6.313 2.589 3.522 1.00 0.00 C ATOM 208 CG ARG A 17 -5.279 3.698 3.627 1.00 0.00 C ATOM 209 CD ARG A 17 -4.832 3.908 5.065 1.00 0.00 C ATOM 210 NE ARG A 17 -3.574 4.646 5.145 1.00 0.00 N ATOM 211 CZ ARG A 17 -2.905 4.837 6.276 1.00 0.00 C ATOM 212 NH1 ARG A 17 -3.371 4.348 7.417 1.00 0.00 N ATOM 213 NH2 ARG A 17 -1.767 5.519 6.268 1.00 0.00 N ATOM 0 H ARG A 17 -7.076 4.013 1.660 1.00 0.00 H new ATOM 0 HA ARG A 17 -5.537 1.660 1.746 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -7.272 2.962 3.882 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -6.022 1.770 4.179 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -4.416 3.452 3.009 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -5.697 4.625 3.236 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -5.605 4.450 5.610 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -4.716 2.941 5.554 1.00 0.00 H new ATOM 0 HE ARG A 17 -3.188 5.036 4.285 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -4.246 3.823 7.428 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -2.855 4.496 8.284 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -1.405 5.897 5.393 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -1.254 5.665 7.137 1.00 0.00 H new ATOM 227 N HIS A 18 -8.731 1.218 2.529 1.00 0.00 N ATOM 228 CA HIS A 18 -9.795 0.222 2.578 1.00 0.00 C ATOM 229 C HIS A 18 -9.823 -0.608 1.298 1.00 0.00 C ATOM 230 O HIS A 18 -9.616 -1.821 1.329 1.00 0.00 O ATOM 231 CB HIS A 18 -11.149 0.902 2.789 1.00 0.00 C ATOM 232 CG HIS A 18 -11.376 1.361 4.196 1.00 0.00 C ATOM 233 ND1 HIS A 18 -12.632 1.509 4.746 1.00 0.00 N ATOM 234 CD2 HIS A 18 -10.499 1.705 5.168 1.00 0.00 C ATOM 235 CE1 HIS A 18 -12.517 1.925 5.994 1.00 0.00 C ATOM 236 NE2 HIS A 18 -11.233 2.052 6.275 1.00 0.00 N ATOM 0 H HIS A 18 -9.008 2.147 2.845 1.00 0.00 H new ATOM 0 HA HIS A 18 -9.596 -0.445 3.417 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -11.224 1.759 2.119 1.00 0.00 H new ATOM 0 HB3 HIS A 18 -11.942 0.208 2.509 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -9.422 1.706 5.088 1.00 0.00 H new ATOM 0 HE1 HIS A 18 -13.334 2.127 6.670 1.00 0.00 H new ATOM 0 HE2 HIS A 18 -10.849 2.358 7.169 1.00 0.00 H new ATOM 245 N SER A 19 -10.081 0.054 0.175 1.00 0.00 N ATOM 246 CA SER A 19 -10.140 -0.623 -1.115 1.00 0.00 C ATOM 247 C SER A 19 -9.095 -1.732 -1.195 1.00 0.00 C ATOM 248 O SER A 19 -9.431 -2.912 -1.301 1.00 0.00 O ATOM 249 CB SER A 19 -9.925 0.379 -2.251 1.00 0.00 C ATOM 250 OG SER A 19 -10.598 -0.034 -3.428 1.00 0.00 O ATOM 0 H SER A 19 -10.253 1.059 0.132 1.00 0.00 H new ATOM 0 HA SER A 19 -11.128 -1.071 -1.218 1.00 0.00 H new ATOM 0 HB2 SER A 19 -10.286 1.361 -1.947 1.00 0.00 H new ATOM 0 HB3 SER A 19 -8.859 0.480 -2.454 1.00 0.00 H new ATOM 0 HG SER A 19 -10.582 0.692 -4.086 1.00 0.00 H new ATOM 256 N LEU A 20 -7.825 -1.344 -1.143 1.00 0.00 N ATOM 257 CA LEU A 20 -6.729 -2.304 -1.209 1.00 0.00 C ATOM 258 C LEU A 20 -7.026 -3.530 -0.352 1.00 0.00 C ATOM 259 O LEU A 20 -7.041 -4.657 -0.846 1.00 0.00 O ATOM 260 CB LEU A 20 -5.424 -1.650 -0.750 1.00 0.00 C ATOM 261 CG LEU A 20 -4.846 -0.581 -1.678 1.00 0.00 C ATOM 262 CD1 LEU A 20 -3.909 0.340 -0.913 1.00 0.00 C ATOM 263 CD2 LEU A 20 -4.121 -1.228 -2.850 1.00 0.00 C ATOM 0 H LEU A 20 -7.529 -0.372 -1.055 1.00 0.00 H new ATOM 0 HA LEU A 20 -6.622 -2.626 -2.245 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -5.591 -1.201 0.229 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -4.676 -2.432 -0.619 1.00 0.00 H new ATOM 0 HG LEU A 20 -5.669 0.016 -2.070 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -3.507 1.094 -1.590 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -4.457 0.830 -0.108 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -3.090 -0.243 -0.492 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -3.716 -0.453 -3.500 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -3.307 -1.850 -2.476 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -4.820 -1.846 -3.414 1.00 0.00 H new ATOM 275 N LYS A 21 -7.263 -3.302 0.935 1.00 0.00 N ATOM 276 CA LYS A 21 -7.564 -4.386 1.862 1.00 0.00 C ATOM 277 C LYS A 21 -8.729 -5.229 1.354 1.00 0.00 C ATOM 278 O LYS A 21 -8.797 -6.431 1.613 1.00 0.00 O ATOM 279 CB LYS A 21 -7.893 -3.825 3.247 1.00 0.00 C ATOM 280 CG LYS A 21 -7.850 -4.867 4.352 1.00 0.00 C ATOM 281 CD LYS A 21 -7.969 -4.228 5.725 1.00 0.00 C ATOM 282 CE LYS A 21 -9.378 -3.713 5.980 1.00 0.00 C ATOM 283 NZ LYS A 21 -9.558 -3.264 7.389 1.00 0.00 N ATOM 0 H LYS A 21 -7.252 -2.375 1.360 1.00 0.00 H new ATOM 0 HA LYS A 21 -6.682 -5.022 1.935 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -7.188 -3.028 3.483 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -8.886 -3.376 3.221 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -8.660 -5.582 4.211 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -6.917 -5.427 4.290 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -7.703 -4.956 6.491 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -7.259 -3.405 5.807 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -9.589 -2.884 5.305 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -10.098 -4.499 5.755 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -10.558 -3.357 7.658 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -8.974 -3.852 8.018 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -9.267 -2.269 7.476 1.00 0.00 H new ATOM 297 N ASP A 22 -9.642 -4.593 0.629 1.00 0.00 N ATOM 298 CA ASP A 22 -10.803 -5.285 0.082 1.00 0.00 C ATOM 299 C ASP A 22 -10.377 -6.344 -0.930 1.00 0.00 C ATOM 300 O ASP A 22 -10.829 -7.488 -0.873 1.00 0.00 O ATOM 301 CB ASP A 22 -11.755 -4.286 -0.577 1.00 0.00 C ATOM 302 CG ASP A 22 -13.201 -4.738 -0.517 1.00 0.00 C ATOM 303 OD1 ASP A 22 -13.860 -4.483 0.513 1.00 0.00 O ATOM 304 OD2 ASP A 22 -13.674 -5.346 -1.499 1.00 0.00 O ATOM 0 H ASP A 22 -9.601 -3.598 0.406 1.00 0.00 H new ATOM 0 HA ASP A 22 -11.320 -5.780 0.904 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -11.659 -3.318 -0.085 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -11.465 -4.144 -1.618 1.00 0.00 H new ATOM 309 N ILE A 23 -9.506 -5.955 -1.855 1.00 0.00 N ATOM 310 CA ILE A 23 -9.020 -6.871 -2.879 1.00 0.00 C ATOM 311 C ILE A 23 -8.202 -8.001 -2.263 1.00 0.00 C ATOM 312 O ILE A 23 -8.580 -9.171 -2.343 1.00 0.00 O ATOM 313 CB ILE A 23 -8.158 -6.140 -3.925 1.00 0.00 C ATOM 314 CG1 ILE A 23 -9.042 -5.309 -4.857 1.00 0.00 C ATOM 315 CG2 ILE A 23 -7.331 -7.139 -4.722 1.00 0.00 C ATOM 316 CD1 ILE A 23 -8.261 -4.494 -5.863 1.00 0.00 C ATOM 0 H ILE A 23 -9.123 -5.012 -1.916 1.00 0.00 H new ATOM 0 HA ILE A 23 -9.898 -7.288 -3.371 1.00 0.00 H new ATOM 0 HB ILE A 23 -7.477 -5.466 -3.405 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -9.721 -5.975 -5.390 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -9.658 -4.638 -4.258 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -6.727 -6.607 -5.457 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -6.677 -7.691 -4.047 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -7.995 -7.835 -5.234 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -8.952 -3.931 -6.490 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -7.601 -3.803 -5.338 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -7.666 -5.160 -6.487 1.00 0.00 H new ATOM 328 N LEU A 24 -7.081 -7.644 -1.646 1.00 0.00 N ATOM 329 CA LEU A 24 -6.210 -8.628 -1.013 1.00 0.00 C ATOM 330 C LEU A 24 -7.008 -9.560 -0.107 1.00 0.00 C ATOM 331 O LEU A 24 -6.606 -10.696 0.140 1.00 0.00 O ATOM 332 CB LEU A 24 -5.117 -7.925 -0.205 1.00 0.00 C ATOM 333 CG LEU A 24 -4.320 -6.852 -0.947 1.00 0.00 C ATOM 334 CD1 LEU A 24 -3.428 -6.087 0.019 1.00 0.00 C ATOM 335 CD2 LEU A 24 -3.492 -7.476 -2.061 1.00 0.00 C ATOM 0 H LEU A 24 -6.754 -6.681 -1.571 1.00 0.00 H new ATOM 0 HA LEU A 24 -5.746 -9.225 -1.798 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -5.578 -7.467 0.670 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -4.420 -8.680 0.160 1.00 0.00 H new ATOM 0 HG LEU A 24 -5.023 -6.149 -1.395 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -2.868 -5.327 -0.527 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -4.043 -5.607 0.780 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -2.733 -6.777 0.496 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -2.932 -6.697 -2.578 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -2.798 -8.201 -1.636 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -4.153 -7.978 -2.768 1.00 0.00 H new ATOM 347 N MET A 25 -8.142 -9.070 0.385 1.00 0.00 N ATOM 348 CA MET A 25 -8.998 -9.861 1.261 1.00 0.00 C ATOM 349 C MET A 25 -9.668 -10.993 0.490 1.00 0.00 C ATOM 350 O MET A 25 -9.406 -12.170 0.741 1.00 0.00 O ATOM 351 CB MET A 25 -10.061 -8.971 1.909 1.00 0.00 C ATOM 352 CG MET A 25 -9.606 -8.329 3.210 1.00 0.00 C ATOM 353 SD MET A 25 -9.978 -9.345 4.653 1.00 0.00 S ATOM 354 CE MET A 25 -8.376 -9.395 5.453 1.00 0.00 C ATOM 0 H MET A 25 -8.489 -8.130 0.192 1.00 0.00 H new ATOM 0 HA MET A 25 -8.374 -10.297 2.041 1.00 0.00 H new ATOM 0 HB2 MET A 25 -10.344 -8.187 1.206 1.00 0.00 H new ATOM 0 HB3 MET A 25 -10.954 -9.566 2.100 1.00 0.00 H new ATOM 0 HG2 MET A 25 -8.532 -8.148 3.165 1.00 0.00 H new ATOM 0 HG3 MET A 25 -10.089 -7.358 3.320 1.00 0.00 H new ATOM 0 HE1 MET A 25 -8.455 -9.944 6.391 1.00 0.00 H new ATOM 0 HE2 MET A 25 -7.659 -9.893 4.800 1.00 0.00 H new ATOM 0 HE3 MET A 25 -8.038 -8.378 5.655 1.00 0.00 H new ATOM 364 N LYS A 26 -10.534 -10.631 -0.451 1.00 0.00 N ATOM 365 CA LYS A 26 -11.241 -11.616 -1.261 1.00 0.00 C ATOM 366 C LYS A 26 -10.265 -12.425 -2.109 1.00 0.00 C ATOM 367 O LYS A 26 -10.614 -13.480 -2.638 1.00 0.00 O ATOM 368 CB LYS A 26 -12.266 -10.924 -2.163 1.00 0.00 C ATOM 369 CG LYS A 26 -11.645 -9.969 -3.167 1.00 0.00 C ATOM 370 CD LYS A 26 -11.305 -10.674 -4.470 1.00 0.00 C ATOM 371 CE LYS A 26 -12.509 -10.745 -5.396 1.00 0.00 C ATOM 372 NZ LYS A 26 -12.384 -11.852 -6.384 1.00 0.00 N ATOM 0 H LYS A 26 -10.763 -9.662 -0.671 1.00 0.00 H new ATOM 0 HA LYS A 26 -11.761 -12.298 -0.588 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -12.836 -11.682 -2.700 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -12.973 -10.375 -1.541 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -12.335 -9.149 -3.365 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -10.742 -9.530 -2.743 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -10.492 -10.147 -4.969 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -10.948 -11.682 -4.257 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -13.414 -10.886 -4.805 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -12.618 -9.798 -5.924 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -13.224 -11.867 -6.997 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -11.534 -11.704 -6.965 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -12.306 -12.759 -5.881 1.00 0.00 H new ATOM 386 N ARG A 27 -9.040 -11.923 -2.234 1.00 0.00 N ATOM 387 CA ARG A 27 -8.014 -12.599 -3.018 1.00 0.00 C ATOM 388 C ARG A 27 -7.260 -13.615 -2.166 1.00 0.00 C ATOM 389 O ARG A 27 -6.846 -14.667 -2.655 1.00 0.00 O ATOM 390 CB ARG A 27 -7.034 -11.580 -3.603 1.00 0.00 C ATOM 391 CG ARG A 27 -7.658 -10.661 -4.640 1.00 0.00 C ATOM 392 CD ARG A 27 -7.950 -11.402 -5.936 1.00 0.00 C ATOM 393 NE ARG A 27 -6.821 -11.353 -6.861 1.00 0.00 N ATOM 394 CZ ARG A 27 -6.891 -11.749 -8.127 1.00 0.00 C ATOM 395 NH1 ARG A 27 -8.030 -12.218 -8.617 1.00 0.00 N ATOM 396 NH2 ARG A 27 -5.820 -11.674 -8.907 1.00 0.00 N ATOM 0 H ARG A 27 -8.735 -11.051 -1.802 1.00 0.00 H new ATOM 0 HA ARG A 27 -8.506 -13.129 -3.834 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -6.625 -10.976 -2.793 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -6.198 -12.112 -4.057 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -8.582 -10.239 -4.245 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -6.986 -9.826 -4.840 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -8.191 -12.441 -5.713 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -8.828 -10.966 -6.413 1.00 0.00 H new ATOM 0 HE ARG A 27 -5.930 -10.995 -6.516 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -8.856 -12.276 -8.021 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -8.080 -12.521 -9.590 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -4.942 -11.312 -8.534 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -5.875 -11.978 -9.879 1.00 0.00 H new ATOM 410 N LEU A 28 -7.084 -13.294 -0.889 1.00 0.00 N ATOM 411 CA LEU A 28 -6.379 -14.178 0.033 1.00 0.00 C ATOM 412 C LEU A 28 -7.319 -15.240 0.595 1.00 0.00 C ATOM 413 O LEU A 28 -6.946 -16.406 0.730 1.00 0.00 O ATOM 414 CB LEU A 28 -5.763 -13.369 1.176 1.00 0.00 C ATOM 415 CG LEU A 28 -6.695 -13.040 2.343 1.00 0.00 C ATOM 416 CD1 LEU A 28 -6.824 -14.234 3.276 1.00 0.00 C ATOM 417 CD2 LEU A 28 -6.190 -11.821 3.101 1.00 0.00 C ATOM 0 H LEU A 28 -7.420 -12.428 -0.468 1.00 0.00 H new ATOM 0 HA LEU A 28 -5.584 -14.679 -0.519 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -4.907 -13.921 1.565 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -5.381 -12.434 0.768 1.00 0.00 H new ATOM 0 HG LEU A 28 -7.682 -12.810 1.941 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -7.491 -13.981 4.100 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -7.232 -15.083 2.727 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -5.842 -14.495 3.671 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -6.865 -11.601 3.928 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -5.192 -12.023 3.491 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -6.150 -10.965 2.428 1.00 0.00 H new ATOM 429 N THR A 29 -8.541 -14.830 0.919 1.00 0.00 N ATOM 430 CA THR A 29 -9.535 -15.746 1.465 1.00 0.00 C ATOM 431 C THR A 29 -9.851 -16.865 0.480 1.00 0.00 C ATOM 432 O THR A 29 -10.309 -17.939 0.872 1.00 0.00 O ATOM 433 CB THR A 29 -10.839 -15.010 1.824 1.00 0.00 C ATOM 434 OG1 THR A 29 -11.636 -15.821 2.694 1.00 0.00 O ATOM 435 CG2 THR A 29 -11.632 -14.671 0.571 1.00 0.00 C ATOM 0 H THR A 29 -8.866 -13.869 0.813 1.00 0.00 H new ATOM 0 HA THR A 29 -9.107 -16.174 2.371 1.00 0.00 H new ATOM 0 HB THR A 29 -10.578 -14.082 2.332 1.00 0.00 H new ATOM 0 HG1 THR A 29 -12.463 -15.345 2.919 1.00 0.00 H new ATOM 0 HG21 THR A 29 -12.549 -14.152 0.850 1.00 0.00 H new ATOM 0 HG22 THR A 29 -11.034 -14.029 -0.076 1.00 0.00 H new ATOM 0 HG23 THR A 29 -11.883 -15.589 0.039 1.00 0.00 H new ATOM 443 N ASP A 30 -9.603 -16.608 -0.799 1.00 0.00 N ATOM 444 CA ASP A 30 -9.859 -17.596 -1.841 1.00 0.00 C ATOM 445 C ASP A 30 -8.618 -18.442 -2.105 1.00 0.00 C ATOM 446 O ASP A 30 -8.713 -19.650 -2.325 1.00 0.00 O ATOM 447 CB ASP A 30 -10.304 -16.905 -3.131 1.00 0.00 C ATOM 448 CG ASP A 30 -10.842 -17.883 -4.156 1.00 0.00 C ATOM 449 OD1 ASP A 30 -11.319 -18.963 -3.751 1.00 0.00 O ATOM 450 OD2 ASP A 30 -10.786 -17.568 -5.364 1.00 0.00 O ATOM 0 H ASP A 30 -9.225 -15.724 -1.140 1.00 0.00 H new ATOM 0 HA ASP A 30 -10.657 -18.253 -1.496 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -11.072 -16.168 -2.898 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -9.461 -16.362 -3.558 1.00 0.00 H new ATOM 455 N SER A 31 -7.454 -17.800 -2.083 1.00 0.00 N ATOM 456 CA SER A 31 -6.194 -18.493 -2.325 1.00 0.00 C ATOM 457 C SER A 31 -5.777 -19.305 -1.103 1.00 0.00 C ATOM 458 O SER A 31 -6.402 -19.222 -0.046 1.00 0.00 O ATOM 459 CB SER A 31 -5.096 -17.489 -2.683 1.00 0.00 C ATOM 460 OG SER A 31 -5.234 -17.038 -4.019 1.00 0.00 O ATOM 0 H SER A 31 -7.358 -16.801 -1.900 1.00 0.00 H new ATOM 0 HA SER A 31 -6.339 -19.177 -3.162 1.00 0.00 H new ATOM 0 HB2 SER A 31 -5.140 -16.639 -2.002 1.00 0.00 H new ATOM 0 HB3 SER A 31 -4.118 -17.952 -2.551 1.00 0.00 H new ATOM 0 HG SER A 31 -5.737 -16.197 -4.030 1.00 0.00 H new ATOM 466 N ASN A 32 -4.717 -20.091 -1.256 1.00 0.00 N ATOM 467 CA ASN A 32 -4.215 -20.920 -0.166 1.00 0.00 C ATOM 468 C ASN A 32 -3.256 -20.131 0.721 1.00 0.00 C ATOM 469 O ASN A 32 -2.249 -20.661 1.191 1.00 0.00 O ATOM 470 CB ASN A 32 -3.511 -22.159 -0.721 1.00 0.00 C ATOM 471 CG ASN A 32 -2.794 -21.880 -2.028 1.00 0.00 C ATOM 472 OD1 ASN A 32 -3.366 -22.029 -3.108 1.00 0.00 O ATOM 473 ND2 ASN A 32 -1.534 -21.471 -1.935 1.00 0.00 N ATOM 0 H ASN A 32 -4.188 -20.172 -2.125 1.00 0.00 H new ATOM 0 HA ASN A 32 -5.066 -21.234 0.438 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -2.793 -22.525 0.013 1.00 0.00 H new ATOM 0 HB3 ASN A 32 -4.243 -22.952 -0.874 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -1.000 -21.267 -2.780 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -1.100 -21.361 -1.019 1.00 0.00 H new ATOM 480 N LEU A 33 -3.577 -18.861 0.946 1.00 0.00 N ATOM 481 CA LEU A 33 -2.744 -17.998 1.776 1.00 0.00 C ATOM 482 C LEU A 33 -3.083 -18.173 3.253 1.00 0.00 C ATOM 483 O LEU A 33 -2.217 -18.495 4.067 1.00 0.00 O ATOM 484 CB LEU A 33 -2.927 -16.535 1.369 1.00 0.00 C ATOM 485 CG LEU A 33 -2.075 -16.054 0.193 1.00 0.00 C ATOM 486 CD1 LEU A 33 -2.751 -14.890 -0.514 1.00 0.00 C ATOM 487 CD2 LEU A 33 -0.685 -15.658 0.669 1.00 0.00 C ATOM 0 H LEU A 33 -4.407 -18.407 0.566 1.00 0.00 H new ATOM 0 HA LEU A 33 -1.703 -18.283 1.624 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -3.976 -16.376 1.120 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -2.706 -15.908 2.233 1.00 0.00 H new ATOM 0 HG LEU A 33 -1.973 -16.874 -0.518 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -2.131 -14.561 -1.348 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -3.724 -15.207 -0.889 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -2.884 -14.066 0.187 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -0.093 -15.318 -0.181 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -0.766 -14.853 1.400 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -0.199 -16.518 1.129 1.00 0.00 H new ATOM 499 N LYS A 34 -4.350 -17.959 3.594 1.00 0.00 N ATOM 500 CA LYS A 34 -4.806 -18.096 4.972 1.00 0.00 C ATOM 501 C LYS A 34 -4.046 -17.147 5.893 1.00 0.00 C ATOM 502 O LYS A 34 -3.598 -17.539 6.971 1.00 0.00 O ATOM 503 CB LYS A 34 -4.627 -19.539 5.449 1.00 0.00 C ATOM 504 CG LYS A 34 -5.824 -20.428 5.159 1.00 0.00 C ATOM 505 CD LYS A 34 -5.689 -21.783 5.833 1.00 0.00 C ATOM 506 CE LYS A 34 -5.941 -21.689 7.330 1.00 0.00 C ATOM 507 NZ LYS A 34 -5.365 -22.849 8.064 1.00 0.00 N ATOM 0 H LYS A 34 -5.079 -17.690 2.934 1.00 0.00 H new ATOM 0 HA LYS A 34 -5.864 -17.837 5.006 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -3.745 -19.964 4.971 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -4.438 -19.537 6.522 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -6.734 -19.938 5.504 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -5.924 -20.565 4.082 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -6.395 -22.484 5.388 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -4.690 -22.181 5.656 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -5.508 -20.765 7.714 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -7.014 -21.639 7.515 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -5.558 -22.747 9.081 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -5.797 -23.729 7.716 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -4.337 -22.882 7.909 1.00 0.00 H new ATOM 521 N VAL A 35 -3.906 -15.897 5.462 1.00 0.00 N ATOM 522 CA VAL A 35 -3.203 -14.892 6.250 1.00 0.00 C ATOM 523 C VAL A 35 -4.179 -14.050 7.064 1.00 0.00 C ATOM 524 O VAL A 35 -5.336 -13.861 6.690 1.00 0.00 O ATOM 525 CB VAL A 35 -2.365 -13.962 5.353 1.00 0.00 C ATOM 526 CG1 VAL A 35 -1.303 -14.754 4.605 1.00 0.00 C ATOM 527 CG2 VAL A 35 -3.261 -13.208 4.382 1.00 0.00 C ATOM 0 H VAL A 35 -4.270 -15.557 4.572 1.00 0.00 H new ATOM 0 HA VAL A 35 -2.538 -15.429 6.927 1.00 0.00 H new ATOM 0 HB VAL A 35 -1.861 -13.233 5.988 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -0.721 -14.080 3.977 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -0.642 -15.243 5.321 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -1.783 -15.508 3.981 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -2.652 -12.556 3.756 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -3.795 -13.920 3.752 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -3.979 -12.608 4.941 1.00 0.00 H new ATOM 537 N PRO A 36 -3.703 -13.532 8.207 1.00 0.00 N ATOM 538 CA PRO A 36 -4.517 -12.701 9.098 1.00 0.00 C ATOM 539 C PRO A 36 -4.829 -11.336 8.494 1.00 0.00 C ATOM 540 O PRO A 36 -4.005 -10.759 7.785 1.00 0.00 O ATOM 541 CB PRO A 36 -3.638 -12.547 10.341 1.00 0.00 C ATOM 542 CG PRO A 36 -2.245 -12.729 9.845 1.00 0.00 C ATOM 543 CD PRO A 36 -2.334 -13.718 8.715 1.00 0.00 C ATOM 0 HA PRO A 36 -5.489 -13.151 9.299 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -3.770 -11.567 10.800 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -3.889 -13.290 11.098 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -1.826 -11.783 9.503 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -1.594 -13.099 10.637 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -1.589 -13.517 7.945 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -2.168 -14.739 9.060 1.00 0.00 H new ATOM 551 N GLU A 37 -6.023 -10.826 8.781 1.00 0.00 N ATOM 552 CA GLU A 37 -6.442 -9.528 8.264 1.00 0.00 C ATOM 553 C GLU A 37 -5.334 -8.492 8.432 1.00 0.00 C ATOM 554 O GLU A 37 -5.120 -7.651 7.560 1.00 0.00 O ATOM 555 CB GLU A 37 -7.709 -9.055 8.979 1.00 0.00 C ATOM 556 CG GLU A 37 -8.183 -7.682 8.533 1.00 0.00 C ATOM 557 CD GLU A 37 -7.567 -6.560 9.347 1.00 0.00 C ATOM 558 OE1 GLU A 37 -7.091 -6.832 10.469 1.00 0.00 O ATOM 559 OE2 GLU A 37 -7.561 -5.410 8.861 1.00 0.00 O ATOM 0 H GLU A 37 -6.716 -11.291 9.368 1.00 0.00 H new ATOM 0 HA GLU A 37 -6.653 -9.640 7.201 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -8.505 -9.779 8.806 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -7.524 -9.035 10.053 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -7.936 -7.540 7.481 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -9.269 -7.632 8.615 1.00 0.00 H new ATOM 566 N GLU A 38 -4.633 -8.561 9.560 1.00 0.00 N ATOM 567 CA GLU A 38 -3.549 -7.628 9.843 1.00 0.00 C ATOM 568 C GLU A 38 -2.603 -7.515 8.650 1.00 0.00 C ATOM 569 O GLU A 38 -2.110 -6.433 8.334 1.00 0.00 O ATOM 570 CB GLU A 38 -2.772 -8.076 11.083 1.00 0.00 C ATOM 571 CG GLU A 38 -1.931 -6.973 11.705 1.00 0.00 C ATOM 572 CD GLU A 38 -0.844 -7.512 12.615 1.00 0.00 C ATOM 573 OE1 GLU A 38 0.176 -8.007 12.093 1.00 0.00 O ATOM 574 OE2 GLU A 38 -1.014 -7.437 13.850 1.00 0.00 O ATOM 0 H GLU A 38 -4.797 -9.253 10.292 1.00 0.00 H new ATOM 0 HA GLU A 38 -3.987 -6.648 10.032 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -3.476 -8.449 11.827 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -2.122 -8.909 10.813 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -1.475 -6.378 10.913 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -2.578 -6.305 12.274 1.00 0.00 H new ATOM 581 N LYS A 39 -2.355 -8.642 7.991 1.00 0.00 N ATOM 582 CA LYS A 39 -1.469 -8.672 6.833 1.00 0.00 C ATOM 583 C LYS A 39 -1.944 -7.697 5.760 1.00 0.00 C ATOM 584 O LYS A 39 -1.270 -6.711 5.463 1.00 0.00 O ATOM 585 CB LYS A 39 -1.400 -10.088 6.256 1.00 0.00 C ATOM 586 CG LYS A 39 -0.745 -10.155 4.887 1.00 0.00 C ATOM 587 CD LYS A 39 0.771 -10.136 4.992 1.00 0.00 C ATOM 588 CE LYS A 39 1.317 -8.717 4.925 1.00 0.00 C ATOM 589 NZ LYS A 39 2.797 -8.685 5.081 1.00 0.00 N ATOM 0 H LYS A 39 -2.755 -9.547 8.239 1.00 0.00 H new ATOM 0 HA LYS A 39 -0.474 -8.370 7.159 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -0.847 -10.726 6.946 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -2.410 -10.493 6.187 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -1.064 -11.063 4.374 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -1.079 -9.313 4.281 1.00 0.00 H new ATOM 0 HD2 LYS A 39 1.078 -10.601 5.929 1.00 0.00 H new ATOM 0 HD3 LYS A 39 1.200 -10.731 4.185 1.00 0.00 H new ATOM 0 HE2 LYS A 39 1.042 -8.267 3.971 1.00 0.00 H new ATOM 0 HE3 LYS A 39 0.856 -8.113 5.707 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 3.130 -7.701 5.030 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 3.058 -9.091 6.002 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 3.238 -9.240 4.320 1.00 0.00 H new ATOM 603 N ALA A 40 -3.108 -7.979 5.184 1.00 0.00 N ATOM 604 CA ALA A 40 -3.673 -7.124 4.147 1.00 0.00 C ATOM 605 C ALA A 40 -3.660 -5.661 4.575 1.00 0.00 C ATOM 606 O ALA A 40 -3.038 -4.820 3.926 1.00 0.00 O ATOM 607 CB ALA A 40 -5.090 -7.567 3.814 1.00 0.00 C ATOM 0 H ALA A 40 -3.678 -8.792 5.418 1.00 0.00 H new ATOM 0 HA ALA A 40 -3.055 -7.219 3.254 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -5.501 -6.920 3.038 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -5.075 -8.597 3.457 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -5.711 -7.501 4.707 1.00 0.00 H new ATOM 613 N ALA A 41 -4.352 -5.363 5.670 1.00 0.00 N ATOM 614 CA ALA A 41 -4.418 -4.000 6.184 1.00 0.00 C ATOM 615 C ALA A 41 -3.028 -3.383 6.285 1.00 0.00 C ATOM 616 O ALA A 41 -2.745 -2.359 5.662 1.00 0.00 O ATOM 617 CB ALA A 41 -5.106 -3.982 7.541 1.00 0.00 C ATOM 0 H ALA A 41 -4.874 -6.047 6.218 1.00 0.00 H new ATOM 0 HA ALA A 41 -5.001 -3.402 5.484 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -5.149 -2.959 7.914 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -6.118 -4.374 7.441 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -4.545 -4.600 8.242 1.00 0.00 H new ATOM 623 N LYS A 42 -2.162 -4.011 7.073 1.00 0.00 N ATOM 624 CA LYS A 42 -0.800 -3.524 7.256 1.00 0.00 C ATOM 625 C LYS A 42 -0.227 -3.005 5.941 1.00 0.00 C ATOM 626 O LYS A 42 0.225 -1.863 5.858 1.00 0.00 O ATOM 627 CB LYS A 42 0.092 -4.639 7.808 1.00 0.00 C ATOM 628 CG LYS A 42 0.079 -4.734 9.324 1.00 0.00 C ATOM 629 CD LYS A 42 0.976 -5.855 9.820 1.00 0.00 C ATOM 630 CE LYS A 42 2.427 -5.410 9.911 1.00 0.00 C ATOM 631 NZ LYS A 42 3.282 -6.436 10.569 1.00 0.00 N ATOM 0 H LYS A 42 -2.380 -4.859 7.596 1.00 0.00 H new ATOM 0 HA LYS A 42 -0.827 -2.701 7.970 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -0.232 -5.592 7.390 1.00 0.00 H new ATOM 0 HB3 LYS A 42 1.116 -4.474 7.471 1.00 0.00 H new ATOM 0 HG2 LYS A 42 0.408 -3.787 9.752 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -0.941 -4.903 9.670 1.00 0.00 H new ATOM 0 HD2 LYS A 42 0.635 -6.189 10.800 1.00 0.00 H new ATOM 0 HD3 LYS A 42 0.898 -6.709 9.147 1.00 0.00 H new ATOM 0 HE2 LYS A 42 2.808 -5.208 8.910 1.00 0.00 H new ATOM 0 HE3 LYS A 42 2.486 -4.476 10.470 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 4.263 -6.095 10.612 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 2.934 -6.611 11.533 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 3.246 -7.320 10.022 1.00 0.00 H new ATOM 645 N VAL A 43 -0.251 -3.850 4.915 1.00 0.00 N ATOM 646 CA VAL A 43 0.264 -3.474 3.604 1.00 0.00 C ATOM 647 C VAL A 43 -0.440 -2.231 3.072 1.00 0.00 C ATOM 648 O VAL A 43 0.189 -1.198 2.845 1.00 0.00 O ATOM 649 CB VAL A 43 0.098 -4.619 2.587 1.00 0.00 C ATOM 650 CG1 VAL A 43 0.359 -4.121 1.174 1.00 0.00 C ATOM 651 CG2 VAL A 43 1.022 -5.777 2.933 1.00 0.00 C ATOM 0 H VAL A 43 -0.621 -4.799 4.967 1.00 0.00 H new ATOM 0 HA VAL A 43 1.325 -3.260 3.730 1.00 0.00 H new ATOM 0 HB VAL A 43 -0.930 -4.978 2.635 1.00 0.00 H new ATOM 0 HG11 VAL A 43 0.237 -4.944 0.470 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -0.348 -3.328 0.931 1.00 0.00 H new ATOM 0 HG13 VAL A 43 1.376 -3.734 1.107 1.00 0.00 H new ATOM 0 HG21 VAL A 43 0.891 -6.577 2.204 1.00 0.00 H new ATOM 0 HG22 VAL A 43 2.057 -5.435 2.915 1.00 0.00 H new ATOM 0 HG23 VAL A 43 0.781 -6.150 3.928 1.00 0.00 H new ATOM 661 N ALA A 44 -1.750 -2.338 2.877 1.00 0.00 N ATOM 662 CA ALA A 44 -2.541 -1.221 2.375 1.00 0.00 C ATOM 663 C ALA A 44 -2.163 0.079 3.076 1.00 0.00 C ATOM 664 O ALA A 44 -2.184 1.152 2.472 1.00 0.00 O ATOM 665 CB ALA A 44 -4.026 -1.505 2.550 1.00 0.00 C ATOM 0 H ALA A 44 -2.286 -3.187 3.059 1.00 0.00 H new ATOM 0 HA ALA A 44 -2.327 -1.105 1.313 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -4.605 -0.663 2.171 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -4.292 -2.406 1.997 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -4.247 -1.650 3.608 1.00 0.00 H new ATOM 671 N THR A 45 -1.817 -0.023 4.356 1.00 0.00 N ATOM 672 CA THR A 45 -1.435 1.145 5.140 1.00 0.00 C ATOM 673 C THR A 45 -0.111 1.723 4.656 1.00 0.00 C ATOM 674 O THR A 45 0.067 2.941 4.609 1.00 0.00 O ATOM 675 CB THR A 45 -1.317 0.802 6.637 1.00 0.00 C ATOM 676 OG1 THR A 45 -2.487 0.102 7.074 1.00 0.00 O ATOM 677 CG2 THR A 45 -1.134 2.063 7.468 1.00 0.00 C ATOM 0 H THR A 45 -1.794 -0.903 4.871 1.00 0.00 H new ATOM 0 HA THR A 45 -2.222 1.887 5.006 1.00 0.00 H new ATOM 0 HB THR A 45 -0.442 0.166 6.773 1.00 0.00 H new ATOM 0 HG1 THR A 45 -2.508 -0.788 6.665 1.00 0.00 H new ATOM 0 HG21 THR A 45 -1.053 1.796 8.522 1.00 0.00 H new ATOM 0 HG22 THR A 45 -0.226 2.578 7.153 1.00 0.00 H new ATOM 0 HG23 THR A 45 -1.992 2.720 7.325 1.00 0.00 H new ATOM 685 N LYS A 46 0.817 0.843 4.296 1.00 0.00 N ATOM 686 CA LYS A 46 2.127 1.266 3.813 1.00 0.00 C ATOM 687 C LYS A 46 2.022 1.875 2.418 1.00 0.00 C ATOM 688 O LYS A 46 2.609 2.921 2.142 1.00 0.00 O ATOM 689 CB LYS A 46 3.093 0.079 3.792 1.00 0.00 C ATOM 690 CG LYS A 46 3.820 -0.136 5.107 1.00 0.00 C ATOM 691 CD LYS A 46 2.888 -0.679 6.178 1.00 0.00 C ATOM 692 CE LYS A 46 2.843 -2.199 6.159 1.00 0.00 C ATOM 693 NZ LYS A 46 4.183 -2.797 6.411 1.00 0.00 N ATOM 0 H LYS A 46 0.687 -0.168 4.329 1.00 0.00 H new ATOM 0 HA LYS A 46 2.510 2.026 4.494 1.00 0.00 H new ATOM 0 HB2 LYS A 46 2.539 -0.825 3.541 1.00 0.00 H new ATOM 0 HB3 LYS A 46 3.827 0.233 3.001 1.00 0.00 H new ATOM 0 HG2 LYS A 46 4.647 -0.830 4.957 1.00 0.00 H new ATOM 0 HG3 LYS A 46 4.252 0.807 5.443 1.00 0.00 H new ATOM 0 HD2 LYS A 46 3.219 -0.336 7.158 1.00 0.00 H new ATOM 0 HD3 LYS A 46 1.885 -0.282 6.024 1.00 0.00 H new ATOM 0 HE2 LYS A 46 2.140 -2.551 6.914 1.00 0.00 H new ATOM 0 HE3 LYS A 46 2.469 -2.539 5.193 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 4.068 -3.759 6.788 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 4.719 -2.836 5.520 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 4.699 -2.214 7.100 1.00 0.00 H new ATOM 707 N ILE A 47 1.270 1.214 1.544 1.00 0.00 N ATOM 708 CA ILE A 47 1.087 1.692 0.180 1.00 0.00 C ATOM 709 C ILE A 47 0.994 3.214 0.138 1.00 0.00 C ATOM 710 O ILE A 47 1.811 3.877 -0.500 1.00 0.00 O ATOM 711 CB ILE A 47 -0.180 1.095 -0.461 1.00 0.00 C ATOM 712 CG1 ILE A 47 -0.090 -0.432 -0.494 1.00 0.00 C ATOM 713 CG2 ILE A 47 -0.376 1.649 -1.864 1.00 0.00 C ATOM 714 CD1 ILE A 47 1.313 -0.950 -0.719 1.00 0.00 C ATOM 0 H ILE A 47 0.778 0.346 1.757 1.00 0.00 H new ATOM 0 HA ILE A 47 1.959 1.367 -0.387 1.00 0.00 H new ATOM 0 HB ILE A 47 -1.042 1.377 0.144 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -0.469 -0.831 0.447 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -0.739 -0.809 -1.284 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -1.275 1.217 -2.303 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -0.480 2.733 -1.816 1.00 0.00 H new ATOM 0 HG23 ILE A 47 0.487 1.394 -2.480 1.00 0.00 H new ATOM 0 HD11 ILE A 47 1.301 -2.040 -0.731 1.00 0.00 H new ATOM 0 HD12 ILE A 47 1.688 -0.581 -1.673 1.00 0.00 H new ATOM 0 HD13 ILE A 47 1.962 -0.603 0.085 1.00 0.00 H new ATOM 726 N GLU A 48 -0.004 3.760 0.825 1.00 0.00 N ATOM 727 CA GLU A 48 -0.202 5.204 0.867 1.00 0.00 C ATOM 728 C GLU A 48 0.932 5.886 1.627 1.00 0.00 C ATOM 729 O GLU A 48 1.471 6.900 1.182 1.00 0.00 O ATOM 730 CB GLU A 48 -1.544 5.539 1.522 1.00 0.00 C ATOM 731 CG GLU A 48 -2.747 5.120 0.693 1.00 0.00 C ATOM 732 CD GLU A 48 -2.748 3.638 0.373 1.00 0.00 C ATOM 733 OE1 GLU A 48 -3.304 2.859 1.175 1.00 0.00 O ATOM 734 OE2 GLU A 48 -2.193 3.258 -0.679 1.00 0.00 O ATOM 0 H GLU A 48 -0.688 3.225 1.360 1.00 0.00 H new ATOM 0 HA GLU A 48 -0.204 5.575 -0.158 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -1.596 5.051 2.495 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -1.593 6.613 1.701 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -3.660 5.372 1.232 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -2.758 5.689 -0.237 1.00 0.00 H new ATOM 741 N LYS A 49 1.288 5.324 2.777 1.00 0.00 N ATOM 742 CA LYS A 49 2.357 5.875 3.600 1.00 0.00 C ATOM 743 C LYS A 49 3.555 6.271 2.743 1.00 0.00 C ATOM 744 O LYS A 49 4.262 7.230 3.053 1.00 0.00 O ATOM 745 CB LYS A 49 2.788 4.860 4.660 1.00 0.00 C ATOM 746 CG LYS A 49 3.723 5.435 5.710 1.00 0.00 C ATOM 747 CD LYS A 49 3.870 4.500 6.899 1.00 0.00 C ATOM 748 CE LYS A 49 4.819 3.353 6.590 1.00 0.00 C ATOM 749 NZ LYS A 49 6.240 3.799 6.567 1.00 0.00 N ATOM 0 H LYS A 49 0.851 4.486 3.160 1.00 0.00 H new ATOM 0 HA LYS A 49 1.976 6.768 4.095 1.00 0.00 H new ATOM 0 HB2 LYS A 49 1.900 4.464 5.154 1.00 0.00 H new ATOM 0 HB3 LYS A 49 3.280 4.021 4.168 1.00 0.00 H new ATOM 0 HG2 LYS A 49 4.702 5.617 5.266 1.00 0.00 H new ATOM 0 HG3 LYS A 49 3.342 6.399 6.049 1.00 0.00 H new ATOM 0 HD2 LYS A 49 4.240 5.058 7.759 1.00 0.00 H new ATOM 0 HD3 LYS A 49 2.893 4.102 7.173 1.00 0.00 H new ATOM 0 HE2 LYS A 49 4.697 2.569 7.337 1.00 0.00 H new ATOM 0 HE3 LYS A 49 4.560 2.917 5.625 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 6.865 2.968 6.557 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 6.411 4.371 5.715 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 6.438 4.370 7.413 1.00 0.00 H new ATOM 763 N GLU A 50 3.776 5.527 1.663 1.00 0.00 N ATOM 764 CA GLU A 50 4.889 5.802 0.762 1.00 0.00 C ATOM 765 C GLU A 50 4.429 6.635 -0.431 1.00 0.00 C ATOM 766 O GLU A 50 5.097 7.590 -0.829 1.00 0.00 O ATOM 767 CB GLU A 50 5.514 4.493 0.274 1.00 0.00 C ATOM 768 CG GLU A 50 6.916 4.660 -0.287 1.00 0.00 C ATOM 769 CD GLU A 50 7.058 5.905 -1.141 1.00 0.00 C ATOM 770 OE1 GLU A 50 6.413 5.968 -2.209 1.00 0.00 O ATOM 771 OE2 GLU A 50 7.814 6.815 -0.743 1.00 0.00 O ATOM 0 H GLU A 50 3.200 4.730 1.391 1.00 0.00 H new ATOM 0 HA GLU A 50 5.638 6.370 1.313 1.00 0.00 H new ATOM 0 HB2 GLU A 50 5.545 3.784 1.102 1.00 0.00 H new ATOM 0 HB3 GLU A 50 4.874 4.059 -0.494 1.00 0.00 H new ATOM 0 HG2 GLU A 50 7.630 4.705 0.536 1.00 0.00 H new ATOM 0 HG3 GLU A 50 7.172 3.784 -0.883 1.00 0.00 H new ATOM 778 N LEU A 51 3.286 6.266 -0.997 1.00 0.00 N ATOM 779 CA LEU A 51 2.736 6.978 -2.146 1.00 0.00 C ATOM 780 C LEU A 51 2.500 8.448 -1.813 1.00 0.00 C ATOM 781 O LEU A 51 3.063 9.338 -2.451 1.00 0.00 O ATOM 782 CB LEU A 51 1.426 6.328 -2.594 1.00 0.00 C ATOM 783 CG LEU A 51 1.034 6.546 -4.056 1.00 0.00 C ATOM 784 CD1 LEU A 51 1.794 5.588 -4.960 1.00 0.00 C ATOM 785 CD2 LEU A 51 -0.467 6.377 -4.237 1.00 0.00 C ATOM 0 H LEU A 51 2.721 5.478 -0.680 1.00 0.00 H new ATOM 0 HA LEU A 51 3.460 6.920 -2.959 1.00 0.00 H new ATOM 0 HB2 LEU A 51 1.496 5.255 -2.413 1.00 0.00 H new ATOM 0 HB3 LEU A 51 0.622 6.706 -1.963 1.00 0.00 H new ATOM 0 HG LEU A 51 1.300 7.565 -4.336 1.00 0.00 H new ATOM 0 HD11 LEU A 51 1.502 5.757 -5.997 1.00 0.00 H new ATOM 0 HD12 LEU A 51 2.865 5.758 -4.852 1.00 0.00 H new ATOM 0 HD13 LEU A 51 1.560 4.561 -4.680 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -0.727 6.536 -5.283 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -0.758 5.370 -3.939 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -0.992 7.104 -3.618 1.00 0.00 H new ATOM 797 N PHE A 52 1.666 8.695 -0.808 1.00 0.00 N ATOM 798 CA PHE A 52 1.356 10.057 -0.389 1.00 0.00 C ATOM 799 C PHE A 52 2.627 10.895 -0.281 1.00 0.00 C ATOM 800 O PHE A 52 2.640 12.072 -0.641 1.00 0.00 O ATOM 801 CB PHE A 52 0.623 10.046 0.954 1.00 0.00 C ATOM 802 CG PHE A 52 0.380 11.418 1.515 1.00 0.00 C ATOM 803 CD1 PHE A 52 -0.436 12.318 0.850 1.00 0.00 C ATOM 804 CD2 PHE A 52 0.969 11.807 2.708 1.00 0.00 C ATOM 805 CE1 PHE A 52 -0.662 13.581 1.365 1.00 0.00 C ATOM 806 CE2 PHE A 52 0.746 13.068 3.227 1.00 0.00 C ATOM 807 CZ PHE A 52 -0.070 13.957 2.554 1.00 0.00 C ATOM 0 H PHE A 52 1.193 7.970 -0.269 1.00 0.00 H new ATOM 0 HA PHE A 52 0.710 10.505 -1.144 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -0.333 9.537 0.833 1.00 0.00 H new ATOM 0 HB3 PHE A 52 1.204 9.466 1.671 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -0.901 12.030 -0.081 1.00 0.00 H new ATOM 0 HD2 PHE A 52 1.609 11.117 3.238 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -1.301 14.273 0.837 1.00 0.00 H new ATOM 0 HE2 PHE A 52 1.209 13.359 4.158 1.00 0.00 H new ATOM 0 HZ PHE A 52 -0.244 14.944 2.957 1.00 0.00 H new ATOM 817 N SER A 53 3.694 10.279 0.218 1.00 0.00 N ATOM 818 CA SER A 53 4.969 10.968 0.378 1.00 0.00 C ATOM 819 C SER A 53 5.646 11.180 -0.973 1.00 0.00 C ATOM 820 O SER A 53 6.097 12.281 -1.289 1.00 0.00 O ATOM 821 CB SER A 53 5.890 10.172 1.304 1.00 0.00 C ATOM 822 OG SER A 53 7.166 10.781 1.401 1.00 0.00 O ATOM 0 H SER A 53 3.701 9.304 0.518 1.00 0.00 H new ATOM 0 HA SER A 53 4.773 11.944 0.823 1.00 0.00 H new ATOM 0 HB2 SER A 53 5.441 10.101 2.295 1.00 0.00 H new ATOM 0 HB3 SER A 53 5.997 9.154 0.929 1.00 0.00 H new ATOM 0 HG SER A 53 7.735 10.254 2.000 1.00 0.00 H new ATOM 828 N PHE A 54 5.712 10.117 -1.767 1.00 0.00 N ATOM 829 CA PHE A 54 6.335 10.184 -3.084 1.00 0.00 C ATOM 830 C PHE A 54 5.717 11.300 -3.921 1.00 0.00 C ATOM 831 O PHE A 54 6.425 12.066 -4.575 1.00 0.00 O ATOM 832 CB PHE A 54 6.187 8.845 -3.810 1.00 0.00 C ATOM 833 CG PHE A 54 6.859 8.815 -5.153 1.00 0.00 C ATOM 834 CD1 PHE A 54 6.273 9.426 -6.250 1.00 0.00 C ATOM 835 CD2 PHE A 54 8.076 8.174 -5.320 1.00 0.00 C ATOM 836 CE1 PHE A 54 6.888 9.400 -7.487 1.00 0.00 C ATOM 837 CE2 PHE A 54 8.696 8.145 -6.554 1.00 0.00 C ATOM 838 CZ PHE A 54 8.101 8.758 -7.640 1.00 0.00 C ATOM 0 H PHE A 54 5.342 9.199 -1.522 1.00 0.00 H new ATOM 0 HA PHE A 54 7.395 10.400 -2.947 1.00 0.00 H new ATOM 0 HB2 PHE A 54 6.604 8.054 -3.186 1.00 0.00 H new ATOM 0 HB3 PHE A 54 5.127 8.625 -3.938 1.00 0.00 H new ATOM 0 HD1 PHE A 54 5.324 9.929 -6.137 1.00 0.00 H new ATOM 0 HD2 PHE A 54 8.545 7.691 -4.475 1.00 0.00 H new ATOM 0 HE1 PHE A 54 6.421 9.881 -8.333 1.00 0.00 H new ATOM 0 HE2 PHE A 54 9.645 7.643 -6.670 1.00 0.00 H new ATOM 0 HZ PHE A 54 8.583 8.735 -8.606 1.00 0.00 H new ATOM 848 N PHE A 55 4.391 11.386 -3.896 1.00 0.00 N ATOM 849 CA PHE A 55 3.676 12.407 -4.653 1.00 0.00 C ATOM 850 C PHE A 55 3.474 13.665 -3.813 1.00 0.00 C ATOM 851 O PHE A 55 3.179 14.736 -4.342 1.00 0.00 O ATOM 852 CB PHE A 55 2.322 11.870 -5.122 1.00 0.00 C ATOM 853 CG PHE A 55 2.415 10.984 -6.331 1.00 0.00 C ATOM 854 CD1 PHE A 55 2.750 9.646 -6.203 1.00 0.00 C ATOM 855 CD2 PHE A 55 2.167 11.490 -7.597 1.00 0.00 C ATOM 856 CE1 PHE A 55 2.837 8.829 -7.314 1.00 0.00 C ATOM 857 CE2 PHE A 55 2.252 10.678 -8.713 1.00 0.00 C ATOM 858 CZ PHE A 55 2.586 9.346 -8.571 1.00 0.00 C ATOM 0 H PHE A 55 3.790 10.761 -3.360 1.00 0.00 H new ATOM 0 HA PHE A 55 4.278 12.666 -5.524 1.00 0.00 H new ATOM 0 HB2 PHE A 55 1.859 11.313 -4.308 1.00 0.00 H new ATOM 0 HB3 PHE A 55 1.665 12.710 -5.347 1.00 0.00 H new ATOM 0 HD1 PHE A 55 2.946 9.236 -5.223 1.00 0.00 H new ATOM 0 HD2 PHE A 55 1.904 12.531 -7.713 1.00 0.00 H new ATOM 0 HE1 PHE A 55 3.101 7.788 -7.200 1.00 0.00 H new ATOM 0 HE2 PHE A 55 2.057 11.085 -9.694 1.00 0.00 H new ATOM 0 HZ PHE A 55 2.651 8.709 -9.441 1.00 0.00 H new ATOM 868 N ARG A 56 3.634 13.525 -2.501 1.00 0.00 N ATOM 869 CA ARG A 56 3.467 14.649 -1.587 1.00 0.00 C ATOM 870 C ARG A 56 2.314 15.544 -2.031 1.00 0.00 C ATOM 871 O ARG A 56 2.342 16.757 -1.826 1.00 0.00 O ATOM 872 CB ARG A 56 4.759 15.465 -1.508 1.00 0.00 C ATOM 873 CG ARG A 56 5.477 15.600 -2.841 1.00 0.00 C ATOM 874 CD ARG A 56 6.741 16.435 -2.711 1.00 0.00 C ATOM 875 NE ARG A 56 7.078 17.116 -3.958 1.00 0.00 N ATOM 876 CZ ARG A 56 8.258 17.679 -4.192 1.00 0.00 C ATOM 877 NH1 ARG A 56 9.210 17.641 -3.270 1.00 0.00 N ATOM 878 NH2 ARG A 56 8.489 18.281 -5.352 1.00 0.00 N ATOM 0 H ARG A 56 3.879 12.645 -2.047 1.00 0.00 H new ATOM 0 HA ARG A 56 3.235 14.251 -0.599 1.00 0.00 H new ATOM 0 HB2 ARG A 56 4.528 16.460 -1.127 1.00 0.00 H new ATOM 0 HB3 ARG A 56 5.431 14.997 -0.789 1.00 0.00 H new ATOM 0 HG2 ARG A 56 5.731 14.610 -3.221 1.00 0.00 H new ATOM 0 HG3 ARG A 56 4.810 16.059 -3.570 1.00 0.00 H new ATOM 0 HD2 ARG A 56 6.608 17.173 -1.920 1.00 0.00 H new ATOM 0 HD3 ARG A 56 7.570 15.793 -2.413 1.00 0.00 H new ATOM 0 HE ARG A 56 6.368 17.162 -4.689 1.00 0.00 H new ATOM 0 HH11 ARG A 56 9.037 17.178 -2.378 1.00 0.00 H new ATOM 0 HH12 ARG A 56 10.115 18.074 -3.453 1.00 0.00 H new ATOM 0 HH21 ARG A 56 7.760 18.312 -6.065 1.00 0.00 H new ATOM 0 HH22 ARG A 56 9.396 18.713 -5.531 1.00 0.00 H new ATOM 892 N ASP A 57 1.301 14.936 -2.639 1.00 0.00 N ATOM 893 CA ASP A 57 0.137 15.677 -3.111 1.00 0.00 C ATOM 894 C ASP A 57 -0.930 14.729 -3.648 1.00 0.00 C ATOM 895 O ASP A 57 -0.619 13.727 -4.293 1.00 0.00 O ATOM 896 CB ASP A 57 0.546 16.672 -4.199 1.00 0.00 C ATOM 897 CG ASP A 57 0.787 16.001 -5.536 1.00 0.00 C ATOM 898 OD1 ASP A 57 -0.136 15.326 -6.037 1.00 0.00 O ATOM 899 OD2 ASP A 57 1.900 16.152 -6.083 1.00 0.00 O ATOM 0 H ASP A 57 1.262 13.932 -2.816 1.00 0.00 H new ATOM 0 HA ASP A 57 -0.281 16.225 -2.266 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -0.234 17.426 -4.309 1.00 0.00 H new ATOM 0 HB3 ASP A 57 1.452 17.193 -3.889 1.00 0.00 H new ATOM 904 N THR A 58 -2.191 15.050 -3.377 1.00 0.00 N ATOM 905 CA THR A 58 -3.305 14.226 -3.830 1.00 0.00 C ATOM 906 C THR A 58 -3.861 14.734 -5.155 1.00 0.00 C ATOM 907 O THR A 58 -5.038 15.081 -5.253 1.00 0.00 O ATOM 908 CB THR A 58 -4.439 14.193 -2.788 1.00 0.00 C ATOM 909 OG1 THR A 58 -4.828 15.528 -2.446 1.00 0.00 O ATOM 910 CG2 THR A 58 -4.003 13.449 -1.536 1.00 0.00 C ATOM 0 H THR A 58 -2.467 15.876 -2.845 1.00 0.00 H new ATOM 0 HA THR A 58 -2.917 13.216 -3.966 1.00 0.00 H new ATOM 0 HB THR A 58 -5.289 13.668 -3.224 1.00 0.00 H new ATOM 0 HG1 THR A 58 -5.176 15.981 -3.242 1.00 0.00 H new ATOM 0 HG21 THR A 58 -4.821 13.439 -0.815 1.00 0.00 H new ATOM 0 HG22 THR A 58 -3.736 12.425 -1.796 1.00 0.00 H new ATOM 0 HG23 THR A 58 -3.139 13.949 -1.098 1.00 0.00 H new ATOM 918 N ASP A 59 -3.008 14.775 -6.172 1.00 0.00 N ATOM 919 CA ASP A 59 -3.415 15.239 -7.494 1.00 0.00 C ATOM 920 C ASP A 59 -3.801 14.064 -8.387 1.00 0.00 C ATOM 921 O ASP A 59 -3.582 12.906 -8.035 1.00 0.00 O ATOM 922 CB ASP A 59 -2.289 16.043 -8.145 1.00 0.00 C ATOM 923 CG ASP A 59 -2.197 17.455 -7.601 1.00 0.00 C ATOM 924 OD1 ASP A 59 -2.986 18.315 -8.045 1.00 0.00 O ATOM 925 OD2 ASP A 59 -1.336 17.700 -6.730 1.00 0.00 O ATOM 0 H ASP A 59 -2.030 14.493 -6.107 1.00 0.00 H new ATOM 0 HA ASP A 59 -4.287 15.882 -7.374 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -1.340 15.532 -7.982 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -2.450 16.082 -9.222 1.00 0.00 H new ATOM 930 N ALA A 60 -4.376 14.372 -9.545 1.00 0.00 N ATOM 931 CA ALA A 60 -4.791 13.342 -10.490 1.00 0.00 C ATOM 932 C ALA A 60 -3.745 12.238 -10.593 1.00 0.00 C ATOM 933 O ALA A 60 -4.076 11.052 -10.596 1.00 0.00 O ATOM 934 CB ALA A 60 -5.051 13.955 -11.858 1.00 0.00 C ATOM 0 H ALA A 60 -4.565 15.326 -9.851 1.00 0.00 H new ATOM 0 HA ALA A 60 -5.715 12.897 -10.122 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -5.360 13.175 -12.554 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -5.840 14.703 -11.778 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -4.139 14.427 -12.224 1.00 0.00 H new ATOM 940 N LYS A 61 -2.479 12.635 -10.678 1.00 0.00 N ATOM 941 CA LYS A 61 -1.383 11.679 -10.780 1.00 0.00 C ATOM 942 C LYS A 61 -1.407 10.696 -9.615 1.00 0.00 C ATOM 943 O LYS A 61 -1.578 9.492 -9.809 1.00 0.00 O ATOM 944 CB LYS A 61 -0.041 12.414 -10.814 1.00 0.00 C ATOM 945 CG LYS A 61 -0.009 13.578 -11.789 1.00 0.00 C ATOM 946 CD LYS A 61 1.407 14.083 -12.010 1.00 0.00 C ATOM 947 CE LYS A 61 1.775 15.167 -11.008 1.00 0.00 C ATOM 948 NZ LYS A 61 2.840 16.067 -11.531 1.00 0.00 N ATOM 0 H LYS A 61 -2.187 13.612 -10.678 1.00 0.00 H new ATOM 0 HA LYS A 61 -1.508 11.119 -11.706 1.00 0.00 H new ATOM 0 HB2 LYS A 61 0.187 12.782 -9.814 1.00 0.00 H new ATOM 0 HB3 LYS A 61 0.744 11.707 -11.080 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -0.438 13.267 -12.742 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -0.630 14.389 -11.409 1.00 0.00 H new ATOM 0 HD2 LYS A 61 2.108 13.253 -11.923 1.00 0.00 H new ATOM 0 HD3 LYS A 61 1.501 14.475 -13.023 1.00 0.00 H new ATOM 0 HE2 LYS A 61 0.889 15.754 -10.767 1.00 0.00 H new ATOM 0 HE3 LYS A 61 2.113 14.705 -10.081 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 3.063 16.792 -10.819 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 3.694 15.511 -11.737 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 2.508 16.528 -12.402 1.00 0.00 H new ATOM 962 N TYR A 62 -1.236 11.216 -8.404 1.00 0.00 N ATOM 963 CA TYR A 62 -1.237 10.384 -7.207 1.00 0.00 C ATOM 964 C TYR A 62 -2.217 9.223 -7.352 1.00 0.00 C ATOM 965 O TYR A 62 -1.820 8.058 -7.369 1.00 0.00 O ATOM 966 CB TYR A 62 -1.598 11.221 -5.979 1.00 0.00 C ATOM 967 CG TYR A 62 -1.772 10.403 -4.719 1.00 0.00 C ATOM 968 CD1 TYR A 62 -0.685 9.786 -4.112 1.00 0.00 C ATOM 969 CD2 TYR A 62 -3.024 10.246 -4.137 1.00 0.00 C ATOM 970 CE1 TYR A 62 -0.839 9.038 -2.961 1.00 0.00 C ATOM 971 CE2 TYR A 62 -3.187 9.500 -2.985 1.00 0.00 C ATOM 972 CZ TYR A 62 -2.092 8.898 -2.401 1.00 0.00 C ATOM 973 OH TYR A 62 -2.251 8.153 -1.255 1.00 0.00 O ATOM 0 H TYR A 62 -1.095 12.210 -8.226 1.00 0.00 H new ATOM 0 HA TYR A 62 -0.235 9.976 -7.078 1.00 0.00 H new ATOM 0 HB2 TYR A 62 -0.818 11.965 -5.815 1.00 0.00 H new ATOM 0 HB3 TYR A 62 -2.521 11.765 -6.179 1.00 0.00 H new ATOM 0 HD1 TYR A 62 0.297 9.893 -4.548 1.00 0.00 H new ATOM 0 HD2 TYR A 62 -3.884 10.715 -4.592 1.00 0.00 H new ATOM 0 HE1 TYR A 62 0.017 8.565 -2.502 1.00 0.00 H new ATOM 0 HE2 TYR A 62 -4.167 9.389 -2.544 1.00 0.00 H new ATOM 0 HH TYR A 62 -3.195 8.156 -0.991 1.00 0.00 H new ATOM 983 N LYS A 63 -3.500 9.551 -7.456 1.00 0.00 N ATOM 984 CA LYS A 63 -4.540 8.538 -7.601 1.00 0.00 C ATOM 985 C LYS A 63 -4.287 7.672 -8.831 1.00 0.00 C ATOM 986 O LYS A 63 -4.272 6.445 -8.745 1.00 0.00 O ATOM 987 CB LYS A 63 -5.915 9.201 -7.705 1.00 0.00 C ATOM 988 CG LYS A 63 -6.276 10.045 -6.494 1.00 0.00 C ATOM 989 CD LYS A 63 -7.279 11.130 -6.850 1.00 0.00 C ATOM 990 CE LYS A 63 -6.588 12.372 -7.390 1.00 0.00 C ATOM 991 NZ LYS A 63 -7.562 13.352 -7.946 1.00 0.00 N ATOM 0 H LYS A 63 -3.845 10.511 -7.443 1.00 0.00 H new ATOM 0 HA LYS A 63 -4.517 7.900 -6.718 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -5.940 9.829 -8.596 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -6.673 8.429 -7.838 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -6.691 9.406 -5.715 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -5.374 10.501 -6.085 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -7.979 10.750 -7.594 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -7.862 11.392 -5.967 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -6.014 12.844 -6.593 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -5.879 12.084 -8.166 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -7.051 14.184 -8.304 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -8.093 12.911 -8.724 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -8.223 13.646 -7.199 1.00 0.00 H new ATOM 1005 N ASN A 64 -4.088 8.320 -9.975 1.00 0.00 N ATOM 1006 CA ASN A 64 -3.835 7.608 -11.222 1.00 0.00 C ATOM 1007 C ASN A 64 -2.891 6.431 -10.996 1.00 0.00 C ATOM 1008 O ASN A 64 -3.074 5.355 -11.564 1.00 0.00 O ATOM 1009 CB ASN A 64 -3.243 8.558 -12.265 1.00 0.00 C ATOM 1010 CG ASN A 64 -2.912 7.855 -13.567 1.00 0.00 C ATOM 1011 OD1 ASN A 64 -3.508 6.830 -13.900 1.00 0.00 O ATOM 1012 ND2 ASN A 64 -1.959 8.403 -14.310 1.00 0.00 N ATOM 0 H ASN A 64 -4.097 9.336 -10.064 1.00 0.00 H new ATOM 0 HA ASN A 64 -4.786 7.222 -11.590 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -3.950 9.364 -12.460 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -2.339 9.017 -11.863 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -1.694 7.974 -15.197 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -1.492 9.253 -13.995 1.00 0.00 H new ATOM 1019 N LYS A 65 -1.880 6.644 -10.160 1.00 0.00 N ATOM 1020 CA LYS A 65 -0.907 5.602 -9.855 1.00 0.00 C ATOM 1021 C LYS A 65 -1.514 4.540 -8.943 1.00 0.00 C ATOM 1022 O LYS A 65 -1.320 3.343 -9.154 1.00 0.00 O ATOM 1023 CB LYS A 65 0.332 6.210 -9.193 1.00 0.00 C ATOM 1024 CG LYS A 65 1.243 5.181 -8.546 1.00 0.00 C ATOM 1025 CD LYS A 65 1.840 4.238 -9.577 1.00 0.00 C ATOM 1026 CE LYS A 65 3.021 4.873 -10.295 1.00 0.00 C ATOM 1027 NZ LYS A 65 3.287 4.222 -11.608 1.00 0.00 N ATOM 0 H LYS A 65 -1.713 7.529 -9.682 1.00 0.00 H new ATOM 0 HA LYS A 65 -0.615 5.127 -10.792 1.00 0.00 H new ATOM 0 HB2 LYS A 65 0.898 6.765 -9.941 1.00 0.00 H new ATOM 0 HB3 LYS A 65 0.014 6.928 -8.437 1.00 0.00 H new ATOM 0 HG2 LYS A 65 2.044 5.689 -8.009 1.00 0.00 H new ATOM 0 HG3 LYS A 65 0.680 4.607 -7.810 1.00 0.00 H new ATOM 0 HD2 LYS A 65 2.162 3.319 -9.088 1.00 0.00 H new ATOM 0 HD3 LYS A 65 1.076 3.962 -10.304 1.00 0.00 H new ATOM 0 HE2 LYS A 65 2.825 5.934 -10.449 1.00 0.00 H new ATOM 0 HE3 LYS A 65 3.909 4.801 -9.667 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 4.099 4.683 -12.066 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 3.499 3.215 -11.459 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 2.449 4.313 -12.217 1.00 0.00 H new ATOM 1041 N TYR A 66 -2.250 4.987 -7.932 1.00 0.00 N ATOM 1042 CA TYR A 66 -2.885 4.075 -6.987 1.00 0.00 C ATOM 1043 C TYR A 66 -3.867 3.150 -7.700 1.00 0.00 C ATOM 1044 O TYR A 66 -3.715 1.928 -7.676 1.00 0.00 O ATOM 1045 CB TYR A 66 -3.610 4.862 -5.895 1.00 0.00 C ATOM 1046 CG TYR A 66 -4.804 4.137 -5.317 1.00 0.00 C ATOM 1047 CD1 TYR A 66 -4.695 2.827 -4.866 1.00 0.00 C ATOM 1048 CD2 TYR A 66 -6.042 4.761 -5.223 1.00 0.00 C ATOM 1049 CE1 TYR A 66 -5.783 2.160 -4.338 1.00 0.00 C ATOM 1050 CE2 TYR A 66 -7.135 4.102 -4.695 1.00 0.00 C ATOM 1051 CZ TYR A 66 -7.001 2.802 -4.254 1.00 0.00 C ATOM 1052 OH TYR A 66 -8.088 2.142 -3.729 1.00 0.00 O ATOM 0 H TYR A 66 -2.422 5.975 -7.745 1.00 0.00 H new ATOM 0 HA TYR A 66 -2.106 3.466 -6.529 1.00 0.00 H new ATOM 0 HB2 TYR A 66 -2.907 5.085 -5.092 1.00 0.00 H new ATOM 0 HB3 TYR A 66 -3.939 5.817 -6.305 1.00 0.00 H new ATOM 0 HD1 TYR A 66 -3.743 2.322 -4.930 1.00 0.00 H new ATOM 0 HD2 TYR A 66 -6.151 5.778 -5.569 1.00 0.00 H new ATOM 0 HE1 TYR A 66 -5.681 1.142 -3.993 1.00 0.00 H new ATOM 0 HE2 TYR A 66 -8.090 4.602 -4.628 1.00 0.00 H new ATOM 0 HH TYR A 66 -8.302 1.367 -4.289 1.00 0.00 H new ATOM 1062 N ARG A 67 -4.873 3.742 -8.334 1.00 0.00 N ATOM 1063 CA ARG A 67 -5.881 2.972 -9.053 1.00 0.00 C ATOM 1064 C ARG A 67 -5.228 2.015 -10.046 1.00 0.00 C ATOM 1065 O ARG A 67 -5.858 1.068 -10.517 1.00 0.00 O ATOM 1066 CB ARG A 67 -6.841 3.909 -9.788 1.00 0.00 C ATOM 1067 CG ARG A 67 -6.154 4.818 -10.794 1.00 0.00 C ATOM 1068 CD ARG A 67 -7.124 5.302 -11.861 1.00 0.00 C ATOM 1069 NE ARG A 67 -8.228 6.069 -11.290 1.00 0.00 N ATOM 1070 CZ ARG A 67 -9.365 6.310 -11.932 1.00 0.00 C ATOM 1071 NH1 ARG A 67 -9.547 5.846 -13.161 1.00 0.00 N ATOM 1072 NH2 ARG A 67 -10.323 7.017 -11.346 1.00 0.00 N ATOM 0 H ARG A 67 -5.012 4.752 -8.365 1.00 0.00 H new ATOM 0 HA ARG A 67 -6.442 2.386 -8.325 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -7.593 3.313 -10.304 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -7.367 4.523 -9.057 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -5.723 5.675 -10.277 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -5.330 4.283 -11.266 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -6.590 5.919 -12.584 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -7.521 4.445 -12.405 1.00 0.00 H new ATOM 0 HE ARG A 67 -8.120 6.440 -10.346 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -8.813 5.303 -13.615 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -10.421 6.032 -13.652 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -10.186 7.376 -10.401 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -11.196 7.201 -11.840 1.00 0.00 H new ATOM 1086 N SER A 68 -3.962 2.270 -10.361 1.00 0.00 N ATOM 1087 CA SER A 68 -3.225 1.434 -11.301 1.00 0.00 C ATOM 1088 C SER A 68 -2.558 0.265 -10.582 1.00 0.00 C ATOM 1089 O SER A 68 -2.797 -0.898 -10.910 1.00 0.00 O ATOM 1090 CB SER A 68 -2.170 2.264 -12.036 1.00 0.00 C ATOM 1091 OG SER A 68 -1.638 1.552 -13.139 1.00 0.00 O ATOM 0 H SER A 68 -3.426 3.049 -9.979 1.00 0.00 H new ATOM 0 HA SER A 68 -3.934 1.035 -12.027 1.00 0.00 H new ATOM 0 HB2 SER A 68 -2.614 3.198 -12.382 1.00 0.00 H new ATOM 0 HB3 SER A 68 -1.367 2.528 -11.348 1.00 0.00 H new ATOM 0 HG SER A 68 -0.968 2.105 -13.593 1.00 0.00 H new ATOM 1097 N LEU A 69 -1.722 0.583 -9.600 1.00 0.00 N ATOM 1098 CA LEU A 69 -1.019 -0.440 -8.833 1.00 0.00 C ATOM 1099 C LEU A 69 -1.987 -1.509 -8.336 1.00 0.00 C ATOM 1100 O LEU A 69 -1.626 -2.679 -8.214 1.00 0.00 O ATOM 1101 CB LEU A 69 -0.290 0.195 -7.647 1.00 0.00 C ATOM 1102 CG LEU A 69 0.808 1.200 -7.995 1.00 0.00 C ATOM 1103 CD1 LEU A 69 1.655 1.510 -6.770 1.00 0.00 C ATOM 1104 CD2 LEU A 69 1.678 0.669 -9.126 1.00 0.00 C ATOM 0 H LEU A 69 -1.514 1.540 -9.316 1.00 0.00 H new ATOM 0 HA LEU A 69 -0.289 -0.914 -9.489 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -1.027 0.695 -7.019 1.00 0.00 H new ATOM 0 HB3 LEU A 69 0.151 -0.602 -7.048 1.00 0.00 H new ATOM 0 HG LEU A 69 0.336 2.124 -8.329 1.00 0.00 H new ATOM 0 HD11 LEU A 69 2.431 2.227 -7.037 1.00 0.00 H new ATOM 0 HD12 LEU A 69 1.024 1.933 -5.989 1.00 0.00 H new ATOM 0 HD13 LEU A 69 2.118 0.593 -6.406 1.00 0.00 H new ATOM 0 HD21 LEU A 69 2.454 1.397 -9.361 1.00 0.00 H new ATOM 0 HD22 LEU A 69 2.141 -0.269 -8.819 1.00 0.00 H new ATOM 0 HD23 LEU A 69 1.062 0.498 -10.009 1.00 0.00 H new ATOM 1116 N MET A 70 -3.219 -1.099 -8.054 1.00 0.00 N ATOM 1117 CA MET A 70 -4.241 -2.023 -7.574 1.00 0.00 C ATOM 1118 C MET A 70 -5.005 -2.641 -8.740 1.00 0.00 C ATOM 1119 O MET A 70 -5.588 -3.718 -8.611 1.00 0.00 O ATOM 1120 CB MET A 70 -5.212 -1.301 -6.637 1.00 0.00 C ATOM 1121 CG MET A 70 -6.319 -0.557 -7.366 1.00 0.00 C ATOM 1122 SD MET A 70 -7.431 0.309 -6.241 1.00 0.00 S ATOM 1123 CE MET A 70 -8.333 -1.067 -5.532 1.00 0.00 C ATOM 0 H MET A 70 -3.534 -0.134 -8.149 1.00 0.00 H new ATOM 0 HA MET A 70 -3.744 -2.822 -7.024 1.00 0.00 H new ATOM 0 HB2 MET A 70 -5.659 -2.028 -5.960 1.00 0.00 H new ATOM 0 HB3 MET A 70 -4.654 -0.594 -6.023 1.00 0.00 H new ATOM 0 HG2 MET A 70 -5.876 0.161 -8.056 1.00 0.00 H new ATOM 0 HG3 MET A 70 -6.893 -1.264 -7.966 1.00 0.00 H new ATOM 0 HE1 MET A 70 -9.393 -0.965 -5.764 1.00 0.00 H new ATOM 0 HE2 MET A 70 -7.958 -2.002 -5.949 1.00 0.00 H new ATOM 0 HE3 MET A 70 -8.197 -1.072 -4.450 1.00 0.00 H new ATOM 1133 N PHE A 71 -4.999 -1.954 -9.877 1.00 0.00 N ATOM 1134 CA PHE A 71 -5.693 -2.436 -11.065 1.00 0.00 C ATOM 1135 C PHE A 71 -5.196 -3.823 -11.461 1.00 0.00 C ATOM 1136 O PHE A 71 -5.973 -4.672 -11.896 1.00 0.00 O ATOM 1137 CB PHE A 71 -5.496 -1.460 -12.228 1.00 0.00 C ATOM 1138 CG PHE A 71 -6.008 -1.981 -13.540 1.00 0.00 C ATOM 1139 CD1 PHE A 71 -5.205 -2.770 -14.348 1.00 0.00 C ATOM 1140 CD2 PHE A 71 -7.292 -1.682 -13.967 1.00 0.00 C ATOM 1141 CE1 PHE A 71 -5.673 -3.250 -15.557 1.00 0.00 C ATOM 1142 CE2 PHE A 71 -7.765 -2.159 -15.174 1.00 0.00 C ATOM 1143 CZ PHE A 71 -6.955 -2.945 -15.970 1.00 0.00 C ATOM 0 H PHE A 71 -4.521 -1.061 -10.001 1.00 0.00 H new ATOM 0 HA PHE A 71 -6.756 -2.503 -10.832 1.00 0.00 H new ATOM 0 HB2 PHE A 71 -6.002 -0.523 -11.996 1.00 0.00 H new ATOM 0 HB3 PHE A 71 -4.434 -1.233 -12.326 1.00 0.00 H new ATOM 0 HD1 PHE A 71 -4.202 -3.013 -14.030 1.00 0.00 H new ATOM 0 HD2 PHE A 71 -7.931 -1.069 -13.349 1.00 0.00 H new ATOM 0 HE1 PHE A 71 -5.037 -3.863 -16.178 1.00 0.00 H new ATOM 0 HE2 PHE A 71 -8.768 -1.917 -15.495 1.00 0.00 H new ATOM 0 HZ PHE A 71 -7.323 -3.320 -16.913 1.00 0.00 H new ATOM 1153 N ASN A 72 -3.894 -4.045 -11.307 1.00 0.00 N ATOM 1154 CA ASN A 72 -3.292 -5.328 -11.649 1.00 0.00 C ATOM 1155 C ASN A 72 -3.743 -6.416 -10.679 1.00 0.00 C ATOM 1156 O ASN A 72 -3.958 -7.563 -11.073 1.00 0.00 O ATOM 1157 CB ASN A 72 -1.766 -5.218 -11.635 1.00 0.00 C ATOM 1158 CG ASN A 72 -1.214 -4.679 -12.941 1.00 0.00 C ATOM 1159 OD1 ASN A 72 -0.537 -5.392 -13.683 1.00 0.00 O ATOM 1160 ND2 ASN A 72 -1.500 -3.414 -13.227 1.00 0.00 N ATOM 0 H ASN A 72 -3.236 -3.353 -10.948 1.00 0.00 H new ATOM 0 HA ASN A 72 -3.621 -5.600 -12.652 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -1.459 -4.566 -10.817 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -1.335 -6.200 -11.439 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -1.155 -2.996 -14.091 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -2.065 -2.861 -12.583 1.00 0.00 H new ATOM 1167 N LEU A 73 -3.884 -6.049 -9.410 1.00 0.00 N ATOM 1168 CA LEU A 73 -4.311 -6.993 -8.383 1.00 0.00 C ATOM 1169 C LEU A 73 -5.616 -7.675 -8.779 1.00 0.00 C ATOM 1170 O LEU A 73 -5.684 -8.901 -8.881 1.00 0.00 O ATOM 1171 CB LEU A 73 -4.483 -6.276 -7.043 1.00 0.00 C ATOM 1172 CG LEU A 73 -3.241 -5.574 -6.493 1.00 0.00 C ATOM 1173 CD1 LEU A 73 -3.611 -4.669 -5.328 1.00 0.00 C ATOM 1174 CD2 LEU A 73 -2.196 -6.595 -6.067 1.00 0.00 C ATOM 0 H LEU A 73 -3.709 -5.104 -9.068 1.00 0.00 H new ATOM 0 HA LEU A 73 -3.540 -7.756 -8.283 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -5.277 -5.537 -7.149 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -4.821 -7.004 -6.305 1.00 0.00 H new ATOM 0 HG LEU A 73 -2.816 -4.957 -7.284 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -2.714 -4.178 -4.950 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -4.323 -3.915 -5.665 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -4.061 -5.264 -4.534 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -1.319 -6.077 -5.678 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -2.611 -7.239 -5.291 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -1.908 -7.201 -6.926 1.00 0.00 H new ATOM 1186 N LYS A 74 -6.652 -6.874 -9.004 1.00 0.00 N ATOM 1187 CA LYS A 74 -7.956 -7.399 -9.393 1.00 0.00 C ATOM 1188 C LYS A 74 -7.912 -7.975 -10.805 1.00 0.00 C ATOM 1189 O LYS A 74 -8.606 -8.944 -11.112 1.00 0.00 O ATOM 1190 CB LYS A 74 -9.016 -6.298 -9.313 1.00 0.00 C ATOM 1191 CG LYS A 74 -8.621 -5.019 -10.030 1.00 0.00 C ATOM 1192 CD LYS A 74 -9.766 -4.022 -10.063 1.00 0.00 C ATOM 1193 CE LYS A 74 -9.952 -3.341 -8.716 1.00 0.00 C ATOM 1194 NZ LYS A 74 -8.857 -2.373 -8.427 1.00 0.00 N ATOM 0 H LYS A 74 -6.614 -5.858 -8.924 1.00 0.00 H new ATOM 0 HA LYS A 74 -8.219 -8.199 -8.701 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -9.947 -6.671 -9.739 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -9.213 -6.071 -8.265 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -7.762 -4.571 -9.530 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -8.311 -5.253 -11.049 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -9.573 -3.270 -10.828 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -10.687 -4.533 -10.343 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -10.910 -2.821 -8.701 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -9.987 -4.095 -7.930 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -9.234 -1.577 -7.874 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -8.108 -2.848 -7.884 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -8.463 -2.017 -9.321 1.00 0.00 H new ATOM 1208 N ASP A 75 -7.091 -7.373 -11.659 1.00 0.00 N ATOM 1209 CA ASP A 75 -6.954 -7.828 -13.037 1.00 0.00 C ATOM 1210 C ASP A 75 -6.997 -9.351 -13.114 1.00 0.00 C ATOM 1211 O ASP A 75 -6.356 -10.055 -12.333 1.00 0.00 O ATOM 1212 CB ASP A 75 -5.646 -7.312 -13.640 1.00 0.00 C ATOM 1213 CG ASP A 75 -5.717 -7.181 -15.149 1.00 0.00 C ATOM 1214 OD1 ASP A 75 -6.614 -6.465 -15.642 1.00 0.00 O ATOM 1215 OD2 ASP A 75 -4.874 -7.793 -15.837 1.00 0.00 O ATOM 0 H ASP A 75 -6.511 -6.569 -11.421 1.00 0.00 H new ATOM 0 HA ASP A 75 -7.792 -7.429 -13.609 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -5.406 -6.342 -13.205 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -4.835 -7.990 -13.375 1.00 0.00 H new ATOM 1220 N PRO A 76 -7.772 -9.874 -14.076 1.00 0.00 N ATOM 1221 CA PRO A 76 -7.918 -11.319 -14.277 1.00 0.00 C ATOM 1222 C PRO A 76 -6.645 -11.960 -14.817 1.00 0.00 C ATOM 1223 O PRO A 76 -6.395 -13.147 -14.602 1.00 0.00 O ATOM 1224 CB PRO A 76 -9.046 -11.421 -15.306 1.00 0.00 C ATOM 1225 CG PRO A 76 -9.007 -10.127 -16.042 1.00 0.00 C ATOM 1226 CD PRO A 76 -8.564 -9.095 -15.042 1.00 0.00 C ATOM 0 HA PRO A 76 -8.125 -11.842 -13.343 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -8.892 -12.264 -15.980 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -10.011 -11.572 -14.822 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -8.316 -10.177 -16.883 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -9.987 -9.880 -16.449 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -7.969 -8.311 -15.510 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -9.414 -8.607 -14.564 1.00 0.00 H new ATOM 1234 N LYS A 77 -5.841 -11.169 -15.520 1.00 0.00 N ATOM 1235 CA LYS A 77 -4.592 -11.659 -16.091 1.00 0.00 C ATOM 1236 C LYS A 77 -3.488 -11.688 -15.039 1.00 0.00 C ATOM 1237 O LYS A 77 -2.646 -12.585 -15.034 1.00 0.00 O ATOM 1238 CB LYS A 77 -4.166 -10.780 -17.269 1.00 0.00 C ATOM 1239 CG LYS A 77 -5.223 -10.661 -18.353 1.00 0.00 C ATOM 1240 CD LYS A 77 -4.624 -10.187 -19.666 1.00 0.00 C ATOM 1241 CE LYS A 77 -4.613 -8.669 -19.758 1.00 0.00 C ATOM 1242 NZ LYS A 77 -4.506 -8.199 -21.167 1.00 0.00 N ATOM 0 H LYS A 77 -6.033 -10.185 -15.708 1.00 0.00 H new ATOM 0 HA LYS A 77 -4.758 -12.676 -16.446 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -3.923 -9.784 -16.899 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -3.255 -11.189 -17.705 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -5.705 -11.627 -18.500 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -5.997 -9.964 -18.033 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -3.606 -10.566 -19.760 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -5.196 -10.599 -20.498 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -5.524 -8.272 -19.311 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -3.777 -8.276 -19.180 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -4.502 -7.159 -21.187 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -3.624 -8.557 -21.586 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -5.317 -8.552 -21.713 1.00 0.00 H new ATOM 1256 N ASN A 78 -3.499 -10.701 -14.149 1.00 0.00 N ATOM 1257 CA ASN A 78 -2.499 -10.614 -13.091 1.00 0.00 C ATOM 1258 C ASN A 78 -3.047 -11.164 -11.777 1.00 0.00 C ATOM 1259 O ASN A 78 -3.763 -10.473 -11.054 1.00 0.00 O ATOM 1260 CB ASN A 78 -2.050 -9.163 -12.902 1.00 0.00 C ATOM 1261 CG ASN A 78 -1.191 -8.980 -11.666 1.00 0.00 C ATOM 1262 OD1 ASN A 78 -1.702 -8.892 -10.549 1.00 0.00 O ATOM 1263 ND2 ASN A 78 0.121 -8.922 -11.861 1.00 0.00 N ATOM 0 H ASN A 78 -4.189 -9.950 -14.139 1.00 0.00 H new ATOM 0 HA ASN A 78 -1.641 -11.217 -13.387 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -1.491 -8.841 -13.781 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -2.928 -8.520 -12.830 1.00 0.00 H new ATOM 0 HD21 ASN A 78 0.750 -8.800 -11.067 1.00 0.00 H new ATOM 0 HD22 ASN A 78 0.500 -9.000 -12.805 1.00 0.00 H new ATOM 1270 N ASN A 79 -2.704 -12.412 -11.476 1.00 0.00 N ATOM 1271 CA ASN A 79 -3.161 -13.056 -10.250 1.00 0.00 C ATOM 1272 C ASN A 79 -1.979 -13.509 -9.399 1.00 0.00 C ATOM 1273 O ASN A 79 -2.003 -14.589 -8.809 1.00 0.00 O ATOM 1274 CB ASN A 79 -4.055 -14.253 -10.580 1.00 0.00 C ATOM 1275 CG ASN A 79 -5.034 -13.953 -11.699 1.00 0.00 C ATOM 1276 OD1 ASN A 79 -4.637 -13.733 -12.843 1.00 0.00 O ATOM 1277 ND2 ASN A 79 -6.321 -13.942 -11.371 1.00 0.00 N ATOM 0 H ASN A 79 -2.111 -12.998 -12.064 1.00 0.00 H new ATOM 0 HA ASN A 79 -3.737 -12.327 -9.680 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -3.432 -15.101 -10.864 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -4.607 -14.548 -9.687 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -7.027 -13.745 -12.081 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -6.604 -14.130 -10.409 1.00 0.00 H new ATOM 1284 N ILE A 80 -0.945 -12.676 -9.341 1.00 0.00 N ATOM 1285 CA ILE A 80 0.246 -12.990 -8.562 1.00 0.00 C ATOM 1286 C ILE A 80 0.625 -11.831 -7.646 1.00 0.00 C ATOM 1287 O ILE A 80 0.843 -12.018 -6.448 1.00 0.00 O ATOM 1288 CB ILE A 80 1.443 -13.323 -9.472 1.00 0.00 C ATOM 1289 CG1 ILE A 80 1.031 -14.336 -10.543 1.00 0.00 C ATOM 1290 CG2 ILE A 80 2.603 -13.858 -8.647 1.00 0.00 C ATOM 1291 CD1 ILE A 80 2.192 -14.855 -11.362 1.00 0.00 C ATOM 0 H ILE A 80 -0.908 -11.779 -9.824 1.00 0.00 H new ATOM 0 HA ILE A 80 0.006 -13.865 -7.957 1.00 0.00 H new ATOM 0 HB ILE A 80 1.768 -12.409 -9.969 1.00 0.00 H new ATOM 0 HG12 ILE A 80 0.531 -15.177 -10.063 1.00 0.00 H new ATOM 0 HG13 ILE A 80 0.305 -13.872 -11.210 1.00 0.00 H new ATOM 0 HG21 ILE A 80 3.441 -14.089 -9.305 1.00 0.00 H new ATOM 0 HG22 ILE A 80 2.909 -13.107 -7.919 1.00 0.00 H new ATOM 0 HG23 ILE A 80 2.292 -14.763 -8.125 1.00 0.00 H new ATOM 0 HD11 ILE A 80 1.826 -15.568 -12.101 1.00 0.00 H new ATOM 0 HD12 ILE A 80 2.679 -14.023 -11.871 1.00 0.00 H new ATOM 0 HD13 ILE A 80 2.909 -15.348 -10.705 1.00 0.00 H new ATOM 1303 N LEU A 81 0.701 -10.634 -8.217 1.00 0.00 N ATOM 1304 CA LEU A 81 1.052 -9.443 -7.451 1.00 0.00 C ATOM 1305 C LEU A 81 0.457 -9.502 -6.048 1.00 0.00 C ATOM 1306 O LEU A 81 1.184 -9.539 -5.055 1.00 0.00 O ATOM 1307 CB LEU A 81 0.562 -8.186 -8.173 1.00 0.00 C ATOM 1308 CG LEU A 81 1.386 -6.918 -7.948 1.00 0.00 C ATOM 1309 CD1 LEU A 81 2.821 -7.126 -8.405 1.00 0.00 C ATOM 1310 CD2 LEU A 81 0.758 -5.738 -8.675 1.00 0.00 C ATOM 0 H LEU A 81 0.524 -10.462 -9.207 1.00 0.00 H new ATOM 0 HA LEU A 81 2.138 -9.405 -7.363 1.00 0.00 H new ATOM 0 HB2 LEU A 81 0.536 -8.393 -9.243 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -0.464 -7.989 -7.861 1.00 0.00 H new ATOM 0 HG LEU A 81 1.395 -6.698 -6.880 1.00 0.00 H new ATOM 0 HD11 LEU A 81 3.392 -6.213 -8.237 1.00 0.00 H new ATOM 0 HD12 LEU A 81 3.268 -7.943 -7.839 1.00 0.00 H new ATOM 0 HD13 LEU A 81 2.833 -7.371 -9.467 1.00 0.00 H new ATOM 0 HD21 LEU A 81 1.358 -4.844 -8.504 1.00 0.00 H new ATOM 0 HD22 LEU A 81 0.718 -5.949 -9.744 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -0.252 -5.575 -8.299 1.00 0.00 H new ATOM 1322 N PHE A 82 -0.870 -9.512 -5.973 1.00 0.00 N ATOM 1323 CA PHE A 82 -1.563 -9.569 -4.692 1.00 0.00 C ATOM 1324 C PHE A 82 -0.853 -10.519 -3.731 1.00 0.00 C ATOM 1325 O PHE A 82 -0.749 -10.248 -2.535 1.00 0.00 O ATOM 1326 CB PHE A 82 -3.012 -10.015 -4.891 1.00 0.00 C ATOM 1327 CG PHE A 82 -3.156 -11.488 -5.150 1.00 0.00 C ATOM 1328 CD1 PHE A 82 -2.996 -12.404 -4.122 1.00 0.00 C ATOM 1329 CD2 PHE A 82 -3.450 -11.956 -6.420 1.00 0.00 C ATOM 1330 CE1 PHE A 82 -3.128 -13.760 -4.357 1.00 0.00 C ATOM 1331 CE2 PHE A 82 -3.583 -13.311 -6.660 1.00 0.00 C ATOM 1332 CZ PHE A 82 -3.421 -14.214 -5.628 1.00 0.00 C ATOM 0 H PHE A 82 -1.487 -9.481 -6.785 1.00 0.00 H new ATOM 0 HA PHE A 82 -1.555 -8.569 -4.258 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -3.590 -9.752 -4.005 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -3.442 -9.463 -5.727 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -2.766 -12.055 -3.126 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -3.577 -11.255 -7.232 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -3.002 -14.464 -3.547 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -3.814 -13.663 -7.655 1.00 0.00 H new ATOM 0 HZ PHE A 82 -3.523 -15.273 -5.814 1.00 0.00 H new ATOM 1342 N LYS A 83 -0.367 -11.635 -4.264 1.00 0.00 N ATOM 1343 CA LYS A 83 0.333 -12.627 -3.456 1.00 0.00 C ATOM 1344 C LYS A 83 1.771 -12.194 -3.190 1.00 0.00 C ATOM 1345 O LYS A 83 2.262 -12.294 -2.065 1.00 0.00 O ATOM 1346 CB LYS A 83 0.320 -13.987 -4.158 1.00 0.00 C ATOM 1347 CG LYS A 83 0.357 -15.165 -3.201 1.00 0.00 C ATOM 1348 CD LYS A 83 0.102 -16.478 -3.922 1.00 0.00 C ATOM 1349 CE LYS A 83 -0.573 -17.493 -3.012 1.00 0.00 C ATOM 1350 NZ LYS A 83 0.405 -18.173 -2.119 1.00 0.00 N ATOM 0 H LYS A 83 -0.445 -11.875 -5.252 1.00 0.00 H new ATOM 0 HA LYS A 83 -0.185 -12.713 -2.501 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -0.575 -14.059 -4.776 1.00 0.00 H new ATOM 0 HB3 LYS A 83 1.176 -14.048 -4.830 1.00 0.00 H new ATOM 0 HG2 LYS A 83 1.328 -15.203 -2.707 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -0.392 -15.025 -2.422 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -0.524 -16.299 -4.796 1.00 0.00 H new ATOM 0 HD3 LYS A 83 1.046 -16.884 -4.285 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -1.330 -16.992 -2.408 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -1.090 -18.237 -3.618 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -0.094 -18.857 -1.515 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 1.113 -18.672 -2.695 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 0.880 -17.466 -1.522 1.00 0.00 H new ATOM 1364 N LYS A 84 2.442 -11.712 -4.230 1.00 0.00 N ATOM 1365 CA LYS A 84 3.823 -11.260 -4.109 1.00 0.00 C ATOM 1366 C LYS A 84 3.974 -10.275 -2.954 1.00 0.00 C ATOM 1367 O LYS A 84 4.923 -10.358 -2.174 1.00 0.00 O ATOM 1368 CB LYS A 84 4.285 -10.608 -5.414 1.00 0.00 C ATOM 1369 CG LYS A 84 4.524 -11.601 -6.539 1.00 0.00 C ATOM 1370 CD LYS A 84 4.369 -10.947 -7.901 1.00 0.00 C ATOM 1371 CE LYS A 84 5.218 -11.644 -8.954 1.00 0.00 C ATOM 1372 NZ LYS A 84 4.640 -11.498 -10.318 1.00 0.00 N ATOM 0 H LYS A 84 2.051 -11.624 -5.168 1.00 0.00 H new ATOM 0 HA LYS A 84 4.447 -12.130 -3.905 1.00 0.00 H new ATOM 0 HB2 LYS A 84 3.536 -9.883 -5.733 1.00 0.00 H new ATOM 0 HB3 LYS A 84 5.205 -10.054 -5.228 1.00 0.00 H new ATOM 0 HG2 LYS A 84 5.526 -12.021 -6.448 1.00 0.00 H new ATOM 0 HG3 LYS A 84 3.821 -12.429 -6.450 1.00 0.00 H new ATOM 0 HD2 LYS A 84 3.321 -10.973 -8.201 1.00 0.00 H new ATOM 0 HD3 LYS A 84 4.656 -9.898 -7.837 1.00 0.00 H new ATOM 0 HE2 LYS A 84 6.226 -11.229 -8.940 1.00 0.00 H new ATOM 0 HE3 LYS A 84 5.305 -12.702 -8.708 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 5.379 -11.673 -11.029 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 3.869 -12.185 -10.444 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 4.268 -10.534 -10.436 1.00 0.00 H new ATOM 1386 N VAL A 85 3.031 -9.343 -2.851 1.00 0.00 N ATOM 1387 CA VAL A 85 3.058 -8.344 -1.790 1.00 0.00 C ATOM 1388 C VAL A 85 2.808 -8.981 -0.428 1.00 0.00 C ATOM 1389 O VAL A 85 3.632 -8.873 0.482 1.00 0.00 O ATOM 1390 CB VAL A 85 2.009 -7.242 -2.030 1.00 0.00 C ATOM 1391 CG1 VAL A 85 1.819 -6.402 -0.776 1.00 0.00 C ATOM 1392 CG2 VAL A 85 2.412 -6.370 -3.209 1.00 0.00 C ATOM 0 H VAL A 85 2.240 -9.260 -3.489 1.00 0.00 H new ATOM 0 HA VAL A 85 4.052 -7.897 -1.801 1.00 0.00 H new ATOM 0 HB VAL A 85 1.057 -7.717 -2.267 1.00 0.00 H new ATOM 0 HG11 VAL A 85 1.074 -5.629 -0.965 1.00 0.00 H new ATOM 0 HG12 VAL A 85 1.481 -7.039 0.041 1.00 0.00 H new ATOM 0 HG13 VAL A 85 2.766 -5.935 -0.504 1.00 0.00 H new ATOM 0 HG21 VAL A 85 1.659 -5.597 -3.364 1.00 0.00 H new ATOM 0 HG22 VAL A 85 3.375 -5.903 -3.004 1.00 0.00 H new ATOM 0 HG23 VAL A 85 2.491 -6.984 -4.106 1.00 0.00 H new ATOM 1402 N LEU A 86 1.666 -9.646 -0.293 1.00 0.00 N ATOM 1403 CA LEU A 86 1.306 -10.302 0.959 1.00 0.00 C ATOM 1404 C LEU A 86 2.452 -11.170 1.469 1.00 0.00 C ATOM 1405 O LEU A 86 2.884 -11.037 2.614 1.00 0.00 O ATOM 1406 CB LEU A 86 0.051 -11.156 0.768 1.00 0.00 C ATOM 1407 CG LEU A 86 -1.283 -10.456 1.030 1.00 0.00 C ATOM 1408 CD1 LEU A 86 -1.634 -9.526 -0.121 1.00 0.00 C ATOM 1409 CD2 LEU A 86 -2.389 -11.479 1.247 1.00 0.00 C ATOM 0 H LEU A 86 0.973 -9.745 -1.035 1.00 0.00 H new ATOM 0 HA LEU A 86 1.103 -9.529 1.700 1.00 0.00 H new ATOM 0 HB2 LEU A 86 0.045 -11.534 -0.254 1.00 0.00 H new ATOM 0 HB3 LEU A 86 0.120 -12.021 1.428 1.00 0.00 H new ATOM 0 HG LEU A 86 -1.185 -9.858 1.936 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -2.586 -9.037 0.084 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -0.855 -8.772 -0.230 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -1.713 -10.102 -1.043 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -3.331 -10.963 1.432 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -2.486 -12.104 0.359 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -2.143 -12.104 2.105 1.00 0.00 H new ATOM 1421 N LYS A 87 2.942 -12.057 0.610 1.00 0.00 N ATOM 1422 CA LYS A 87 4.041 -12.945 0.970 1.00 0.00 C ATOM 1423 C LYS A 87 5.296 -12.147 1.309 1.00 0.00 C ATOM 1424 O LYS A 87 6.008 -12.466 2.260 1.00 0.00 O ATOM 1425 CB LYS A 87 4.335 -13.916 -0.176 1.00 0.00 C ATOM 1426 CG LYS A 87 3.119 -14.702 -0.635 1.00 0.00 C ATOM 1427 CD LYS A 87 2.776 -15.818 0.338 1.00 0.00 C ATOM 1428 CE LYS A 87 3.519 -17.101 -0.003 1.00 0.00 C ATOM 1429 NZ LYS A 87 4.985 -16.971 0.223 1.00 0.00 N ATOM 0 H LYS A 87 2.595 -12.180 -0.341 1.00 0.00 H new ATOM 0 HA LYS A 87 3.743 -13.512 1.852 1.00 0.00 H new ATOM 0 HB2 LYS A 87 4.736 -13.356 -1.021 1.00 0.00 H new ATOM 0 HB3 LYS A 87 5.110 -14.614 0.140 1.00 0.00 H new ATOM 0 HG2 LYS A 87 2.267 -14.030 -0.734 1.00 0.00 H new ATOM 0 HG3 LYS A 87 3.309 -15.124 -1.622 1.00 0.00 H new ATOM 0 HD2 LYS A 87 3.028 -15.509 1.352 1.00 0.00 H new ATOM 0 HD3 LYS A 87 1.702 -16.002 0.319 1.00 0.00 H new ATOM 0 HE2 LYS A 87 3.129 -17.918 0.604 1.00 0.00 H new ATOM 0 HE3 LYS A 87 3.334 -17.361 -1.045 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 5.397 -17.913 0.380 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 5.427 -16.534 -0.611 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 5.156 -16.375 1.058 1.00 0.00 H new ATOM 1443 N GLY A 88 5.561 -11.107 0.524 1.00 0.00 N ATOM 1444 CA GLY A 88 6.730 -10.279 0.759 1.00 0.00 C ATOM 1445 C GLY A 88 7.533 -10.039 -0.504 1.00 0.00 C ATOM 1446 O GLY A 88 8.228 -9.030 -0.622 1.00 0.00 O ATOM 0 H GLY A 88 4.987 -10.823 -0.270 1.00 0.00 H new ATOM 0 HA2 GLY A 88 6.416 -9.321 1.174 1.00 0.00 H new ATOM 0 HA3 GLY A 88 7.366 -10.756 1.505 1.00 0.00 H new ATOM 1450 N GLU A 89 7.439 -10.968 -1.450 1.00 0.00 N ATOM 1451 CA GLU A 89 8.165 -10.852 -2.709 1.00 0.00 C ATOM 1452 C GLU A 89 8.231 -9.398 -3.167 1.00 0.00 C ATOM 1453 O GLU A 89 9.301 -8.888 -3.498 1.00 0.00 O ATOM 1454 CB GLU A 89 7.499 -11.709 -3.788 1.00 0.00 C ATOM 1455 CG GLU A 89 7.782 -13.195 -3.646 1.00 0.00 C ATOM 1456 CD GLU A 89 9.175 -13.571 -4.115 1.00 0.00 C ATOM 1457 OE1 GLU A 89 10.142 -12.900 -3.698 1.00 0.00 O ATOM 1458 OE2 GLU A 89 9.297 -14.536 -4.898 1.00 0.00 O ATOM 0 H GLU A 89 6.867 -11.809 -1.368 1.00 0.00 H new ATOM 0 HA GLU A 89 9.182 -11.210 -2.547 1.00 0.00 H new ATOM 0 HB2 GLU A 89 6.421 -11.548 -3.754 1.00 0.00 H new ATOM 0 HB3 GLU A 89 7.840 -11.375 -4.768 1.00 0.00 H new ATOM 0 HG2 GLU A 89 7.663 -13.486 -2.602 1.00 0.00 H new ATOM 0 HG3 GLU A 89 7.045 -13.758 -4.219 1.00 0.00 H new ATOM 1465 N VAL A 90 7.078 -8.737 -3.185 1.00 0.00 N ATOM 1466 CA VAL A 90 7.004 -7.341 -3.602 1.00 0.00 C ATOM 1467 C VAL A 90 6.778 -6.422 -2.406 1.00 0.00 C ATOM 1468 O VAL A 90 5.846 -6.617 -1.626 1.00 0.00 O ATOM 1469 CB VAL A 90 5.875 -7.121 -4.626 1.00 0.00 C ATOM 1470 CG1 VAL A 90 5.535 -5.643 -4.736 1.00 0.00 C ATOM 1471 CG2 VAL A 90 6.267 -7.689 -5.981 1.00 0.00 C ATOM 0 H VAL A 90 6.183 -9.145 -2.916 1.00 0.00 H new ATOM 0 HA VAL A 90 7.959 -7.098 -4.068 1.00 0.00 H new ATOM 0 HB VAL A 90 4.986 -7.649 -4.280 1.00 0.00 H new ATOM 0 HG11 VAL A 90 4.735 -5.507 -5.464 1.00 0.00 H new ATOM 0 HG12 VAL A 90 5.209 -5.271 -3.765 1.00 0.00 H new ATOM 0 HG13 VAL A 90 6.417 -5.090 -5.058 1.00 0.00 H new ATOM 0 HG21 VAL A 90 5.458 -7.525 -6.692 1.00 0.00 H new ATOM 0 HG22 VAL A 90 7.169 -7.192 -6.337 1.00 0.00 H new ATOM 0 HG23 VAL A 90 6.456 -8.758 -5.886 1.00 0.00 H new ATOM 1481 N THR A 91 7.638 -5.417 -2.269 1.00 0.00 N ATOM 1482 CA THR A 91 7.533 -4.467 -1.169 1.00 0.00 C ATOM 1483 C THR A 91 6.470 -3.412 -1.453 1.00 0.00 C ATOM 1484 O THR A 91 6.246 -3.015 -2.596 1.00 0.00 O ATOM 1485 CB THR A 91 8.878 -3.766 -0.902 1.00 0.00 C ATOM 1486 OG1 THR A 91 9.613 -3.635 -2.124 1.00 0.00 O ATOM 1487 CG2 THR A 91 9.703 -4.545 0.111 1.00 0.00 C ATOM 0 H THR A 91 8.415 -5.240 -2.906 1.00 0.00 H new ATOM 0 HA THR A 91 7.247 -5.037 -0.285 1.00 0.00 H new ATOM 0 HB THR A 91 8.672 -2.776 -0.494 1.00 0.00 H new ATOM 0 HG1 THR A 91 10.525 -3.335 -1.927 1.00 0.00 H new ATOM 0 HG21 THR A 91 10.648 -4.030 0.283 1.00 0.00 H new ATOM 0 HG22 THR A 91 9.153 -4.618 1.049 1.00 0.00 H new ATOM 0 HG23 THR A 91 9.900 -5.546 -0.273 1.00 0.00 H new ATOM 1495 N PRO A 92 5.799 -2.945 -0.389 1.00 0.00 N ATOM 1496 CA PRO A 92 4.749 -1.928 -0.499 1.00 0.00 C ATOM 1497 C PRO A 92 5.306 -0.558 -0.873 1.00 0.00 C ATOM 1498 O PRO A 92 4.559 0.343 -1.254 1.00 0.00 O ATOM 1499 CB PRO A 92 4.140 -1.893 0.905 1.00 0.00 C ATOM 1500 CG PRO A 92 5.230 -2.370 1.802 1.00 0.00 C ATOM 1501 CD PRO A 92 6.015 -3.374 1.003 1.00 0.00 C ATOM 0 HA PRO A 92 4.031 -2.167 -1.284 1.00 0.00 H new ATOM 0 HB2 PRO A 92 3.819 -0.886 1.172 1.00 0.00 H new ATOM 0 HB3 PRO A 92 3.262 -2.536 0.972 1.00 0.00 H new ATOM 0 HG2 PRO A 92 5.864 -1.542 2.120 1.00 0.00 H new ATOM 0 HG3 PRO A 92 4.822 -2.823 2.705 1.00 0.00 H new ATOM 0 HD2 PRO A 92 7.072 -3.361 1.268 1.00 0.00 H new ATOM 0 HD3 PRO A 92 5.657 -4.390 1.171 1.00 0.00 H new ATOM 1509 N ASP A 93 6.621 -0.409 -0.761 1.00 0.00 N ATOM 1510 CA ASP A 93 7.278 0.851 -1.088 1.00 0.00 C ATOM 1511 C ASP A 93 7.797 0.837 -2.523 1.00 0.00 C ATOM 1512 O ASP A 93 7.964 1.887 -3.144 1.00 0.00 O ATOM 1513 CB ASP A 93 8.431 1.117 -0.118 1.00 0.00 C ATOM 1514 CG ASP A 93 9.639 0.246 -0.403 1.00 0.00 C ATOM 1515 OD1 ASP A 93 10.443 0.615 -1.285 1.00 0.00 O ATOM 1516 OD2 ASP A 93 9.781 -0.804 0.258 1.00 0.00 O ATOM 0 H ASP A 93 7.253 -1.145 -0.446 1.00 0.00 H new ATOM 0 HA ASP A 93 6.543 1.650 -0.994 1.00 0.00 H new ATOM 0 HB2 ASP A 93 8.720 2.166 -0.181 1.00 0.00 H new ATOM 0 HB3 ASP A 93 8.092 0.940 0.903 1.00 0.00 H new ATOM 1521 N HIS A 94 8.051 -0.360 -3.043 1.00 0.00 N ATOM 1522 CA HIS A 94 8.552 -0.511 -4.404 1.00 0.00 C ATOM 1523 C HIS A 94 7.400 -0.600 -5.400 1.00 0.00 C ATOM 1524 O HIS A 94 7.481 -0.070 -6.509 1.00 0.00 O ATOM 1525 CB HIS A 94 9.432 -1.757 -4.511 1.00 0.00 C ATOM 1526 CG HIS A 94 10.420 -1.698 -5.635 1.00 0.00 C ATOM 1527 ND1 HIS A 94 11.496 -0.836 -5.647 1.00 0.00 N ATOM 1528 CD2 HIS A 94 10.491 -2.402 -6.789 1.00 0.00 C ATOM 1529 CE1 HIS A 94 12.186 -1.011 -6.760 1.00 0.00 C ATOM 1530 NE2 HIS A 94 11.597 -1.956 -7.470 1.00 0.00 N ATOM 0 H HIS A 94 7.918 -1.239 -2.542 1.00 0.00 H new ATOM 0 HA HIS A 94 9.150 0.368 -4.644 1.00 0.00 H new ATOM 0 HB2 HIS A 94 9.969 -1.894 -3.573 1.00 0.00 H new ATOM 0 HB3 HIS A 94 8.795 -2.631 -4.644 1.00 0.00 H new ATOM 0 HD2 HIS A 94 9.806 -3.171 -7.114 1.00 0.00 H new ATOM 0 HE1 HIS A 94 13.079 -0.473 -7.041 1.00 0.00 H new ATOM 0 HE2 HIS A 94 11.912 -2.299 -8.377 1.00 0.00 H new ATOM 1539 N LEU A 95 6.328 -1.274 -4.998 1.00 0.00 N ATOM 1540 CA LEU A 95 5.158 -1.433 -5.855 1.00 0.00 C ATOM 1541 C LEU A 95 4.844 -0.137 -6.595 1.00 0.00 C ATOM 1542 O LEU A 95 4.280 -0.156 -7.689 1.00 0.00 O ATOM 1543 CB LEU A 95 3.948 -1.866 -5.025 1.00 0.00 C ATOM 1544 CG LEU A 95 2.675 -2.185 -5.810 1.00 0.00 C ATOM 1545 CD1 LEU A 95 2.776 -3.559 -6.455 1.00 0.00 C ATOM 1546 CD2 LEU A 95 1.456 -2.108 -4.904 1.00 0.00 C ATOM 0 H LEU A 95 6.245 -1.719 -4.084 1.00 0.00 H new ATOM 0 HA LEU A 95 5.381 -2.205 -6.592 1.00 0.00 H new ATOM 0 HB2 LEU A 95 4.225 -2.748 -4.448 1.00 0.00 H new ATOM 0 HB3 LEU A 95 3.721 -1.075 -4.310 1.00 0.00 H new ATOM 0 HG LEU A 95 2.563 -1.442 -6.600 1.00 0.00 H new ATOM 0 HD11 LEU A 95 1.861 -3.769 -7.009 1.00 0.00 H new ATOM 0 HD12 LEU A 95 3.626 -3.579 -7.137 1.00 0.00 H new ATOM 0 HD13 LEU A 95 2.913 -4.315 -5.682 1.00 0.00 H new ATOM 0 HD21 LEU A 95 0.560 -2.338 -5.480 1.00 0.00 H new ATOM 0 HD22 LEU A 95 1.560 -2.828 -4.092 1.00 0.00 H new ATOM 0 HD23 LEU A 95 1.373 -1.103 -4.490 1.00 0.00 H new ATOM 1558 N ILE A 96 5.216 0.987 -5.992 1.00 0.00 N ATOM 1559 CA ILE A 96 4.977 2.292 -6.595 1.00 0.00 C ATOM 1560 C ILE A 96 5.990 2.582 -7.697 1.00 0.00 C ATOM 1561 O ILE A 96 5.636 3.090 -8.762 1.00 0.00 O ATOM 1562 CB ILE A 96 5.041 3.418 -5.546 1.00 0.00 C ATOM 1563 CG1 ILE A 96 4.246 3.028 -4.298 1.00 0.00 C ATOM 1564 CG2 ILE A 96 4.513 4.719 -6.131 1.00 0.00 C ATOM 1565 CD1 ILE A 96 4.496 3.935 -3.114 1.00 0.00 C ATOM 0 H ILE A 96 5.684 1.020 -5.086 1.00 0.00 H new ATOM 0 HA ILE A 96 3.975 2.262 -7.023 1.00 0.00 H new ATOM 0 HB ILE A 96 6.082 3.568 -5.259 1.00 0.00 H new ATOM 0 HG12 ILE A 96 3.182 3.040 -4.536 1.00 0.00 H new ATOM 0 HG13 ILE A 96 4.499 2.005 -4.021 1.00 0.00 H new ATOM 0 HG21 ILE A 96 4.565 5.505 -5.377 1.00 0.00 H new ATOM 0 HG22 ILE A 96 5.118 5.002 -6.993 1.00 0.00 H new ATOM 0 HG23 ILE A 96 3.477 4.584 -6.443 1.00 0.00 H new ATOM 0 HD11 ILE A 96 3.900 3.599 -2.266 1.00 0.00 H new ATOM 0 HD12 ILE A 96 5.553 3.905 -2.849 1.00 0.00 H new ATOM 0 HD13 ILE A 96 4.216 4.956 -3.372 1.00 0.00 H new ATOM 1577 N ARG A 97 7.251 2.254 -7.436 1.00 0.00 N ATOM 1578 CA ARG A 97 8.316 2.479 -8.406 1.00 0.00 C ATOM 1579 C ARG A 97 8.175 1.534 -9.596 1.00 0.00 C ATOM 1580 O ARG A 97 8.657 1.823 -10.691 1.00 0.00 O ATOM 1581 CB ARG A 97 9.683 2.287 -7.748 1.00 0.00 C ATOM 1582 CG ARG A 97 9.946 3.245 -6.598 1.00 0.00 C ATOM 1583 CD ARG A 97 11.427 3.320 -6.262 1.00 0.00 C ATOM 1584 NE ARG A 97 12.244 3.581 -7.445 1.00 0.00 N ATOM 1585 CZ ARG A 97 13.544 3.318 -7.512 1.00 0.00 C ATOM 1586 NH1 ARG A 97 14.172 2.791 -6.470 1.00 0.00 N ATOM 1587 NH2 ARG A 97 14.219 3.583 -8.623 1.00 0.00 N ATOM 0 H ARG A 97 7.560 1.831 -6.561 1.00 0.00 H new ATOM 0 HA ARG A 97 8.235 3.505 -8.766 1.00 0.00 H new ATOM 0 HB2 ARG A 97 9.760 1.263 -7.382 1.00 0.00 H new ATOM 0 HB3 ARG A 97 10.460 2.415 -8.501 1.00 0.00 H new ATOM 0 HG2 ARG A 97 9.581 4.238 -6.860 1.00 0.00 H new ATOM 0 HG3 ARG A 97 9.388 2.922 -5.719 1.00 0.00 H new ATOM 0 HD2 ARG A 97 11.592 4.107 -5.526 1.00 0.00 H new ATOM 0 HD3 ARG A 97 11.743 2.383 -5.803 1.00 0.00 H new ATOM 0 HE ARG A 97 11.791 3.987 -8.264 1.00 0.00 H new ATOM 0 HH11 ARG A 97 13.657 2.586 -5.614 1.00 0.00 H new ATOM 0 HH12 ARG A 97 15.171 2.590 -6.524 1.00 0.00 H new ATOM 0 HH21 ARG A 97 13.739 3.989 -9.426 1.00 0.00 H new ATOM 0 HH22 ARG A 97 15.217 3.381 -8.674 1.00 0.00 H new ATOM 1601 N MET A 98 7.512 0.404 -9.373 1.00 0.00 N ATOM 1602 CA MET A 98 7.307 -0.583 -10.427 1.00 0.00 C ATOM 1603 C MET A 98 6.553 0.028 -11.604 1.00 0.00 C ATOM 1604 O MET A 98 5.601 0.786 -11.418 1.00 0.00 O ATOM 1605 CB MET A 98 6.538 -1.789 -9.883 1.00 0.00 C ATOM 1606 CG MET A 98 7.247 -2.497 -8.740 1.00 0.00 C ATOM 1607 SD MET A 98 6.445 -4.044 -8.278 1.00 0.00 S ATOM 1608 CE MET A 98 6.803 -5.053 -9.714 1.00 0.00 C ATOM 0 H MET A 98 7.108 0.149 -8.472 1.00 0.00 H new ATOM 0 HA MET A 98 8.285 -0.913 -10.777 1.00 0.00 H new ATOM 0 HB2 MET A 98 5.556 -1.460 -9.542 1.00 0.00 H new ATOM 0 HB3 MET A 98 6.373 -2.500 -10.693 1.00 0.00 H new ATOM 0 HG2 MET A 98 8.279 -2.699 -9.027 1.00 0.00 H new ATOM 0 HG3 MET A 98 7.280 -1.837 -7.874 1.00 0.00 H new ATOM 0 HE1 MET A 98 6.699 -6.106 -9.454 1.00 0.00 H new ATOM 0 HE2 MET A 98 6.106 -4.807 -10.515 1.00 0.00 H new ATOM 0 HE3 MET A 98 7.822 -4.861 -10.049 1.00 0.00 H new ATOM 1618 N SER A 99 6.985 -0.308 -12.815 1.00 0.00 N ATOM 1619 CA SER A 99 6.353 0.211 -14.023 1.00 0.00 C ATOM 1620 C SER A 99 4.923 -0.305 -14.152 1.00 0.00 C ATOM 1621 O SER A 99 4.585 -1.395 -13.689 1.00 0.00 O ATOM 1622 CB SER A 99 7.164 -0.184 -15.258 1.00 0.00 C ATOM 1623 OG SER A 99 8.262 0.691 -15.449 1.00 0.00 O ATOM 0 H SER A 99 7.770 -0.937 -12.986 1.00 0.00 H new ATOM 0 HA SER A 99 6.323 1.298 -13.950 1.00 0.00 H new ATOM 0 HB2 SER A 99 7.525 -1.207 -15.148 1.00 0.00 H new ATOM 0 HB3 SER A 99 6.523 -0.165 -16.139 1.00 0.00 H new ATOM 0 HG SER A 99 8.765 0.416 -16.244 1.00 0.00 H new ATOM 1629 N PRO A 100 4.062 0.496 -14.798 1.00 0.00 N ATOM 1630 CA PRO A 100 2.655 0.141 -15.004 1.00 0.00 C ATOM 1631 C PRO A 100 2.485 -1.004 -15.996 1.00 0.00 C ATOM 1632 O PRO A 100 1.402 -1.576 -16.117 1.00 0.00 O ATOM 1633 CB PRO A 100 2.044 1.428 -15.564 1.00 0.00 C ATOM 1634 CG PRO A 100 3.185 2.144 -16.201 1.00 0.00 C ATOM 1635 CD PRO A 100 4.396 1.808 -15.376 1.00 0.00 C ATOM 0 HA PRO A 100 2.184 -0.207 -14.085 1.00 0.00 H new ATOM 0 HB2 PRO A 100 1.259 1.211 -16.288 1.00 0.00 H new ATOM 0 HB3 PRO A 100 1.592 2.028 -14.774 1.00 0.00 H new ATOM 0 HG2 PRO A 100 3.317 1.826 -17.235 1.00 0.00 H new ATOM 0 HG3 PRO A 100 3.010 3.220 -16.218 1.00 0.00 H new ATOM 0 HD2 PRO A 100 5.298 1.760 -15.987 1.00 0.00 H new ATOM 0 HD3 PRO A 100 4.575 2.554 -14.602 1.00 0.00 H new ATOM 1643 N GLU A 101 3.562 -1.334 -16.703 1.00 0.00 N ATOM 1644 CA GLU A 101 3.530 -2.412 -17.684 1.00 0.00 C ATOM 1645 C GLU A 101 4.169 -3.678 -17.122 1.00 0.00 C ATOM 1646 O GLU A 101 3.795 -4.791 -17.492 1.00 0.00 O ATOM 1647 CB GLU A 101 4.252 -1.987 -18.964 1.00 0.00 C ATOM 1648 CG GLU A 101 4.387 -3.104 -19.986 1.00 0.00 C ATOM 1649 CD GLU A 101 5.142 -2.671 -21.228 1.00 0.00 C ATOM 1650 OE1 GLU A 101 4.495 -2.162 -22.167 1.00 0.00 O ATOM 1651 OE2 GLU A 101 6.379 -2.840 -21.260 1.00 0.00 O ATOM 0 H GLU A 101 4.466 -0.870 -16.614 1.00 0.00 H new ATOM 0 HA GLU A 101 2.487 -2.626 -17.918 1.00 0.00 H new ATOM 0 HB2 GLU A 101 3.712 -1.155 -19.417 1.00 0.00 H new ATOM 0 HB3 GLU A 101 5.245 -1.620 -18.706 1.00 0.00 H new ATOM 0 HG2 GLU A 101 4.902 -3.949 -19.529 1.00 0.00 H new ATOM 0 HG3 GLU A 101 3.394 -3.452 -20.272 1.00 0.00 H new ATOM 1658 N GLU A 102 5.136 -3.499 -16.227 1.00 0.00 N ATOM 1659 CA GLU A 102 5.828 -4.628 -15.616 1.00 0.00 C ATOM 1660 C GLU A 102 4.929 -5.335 -14.605 1.00 0.00 C ATOM 1661 O GLU A 102 4.914 -6.564 -14.524 1.00 0.00 O ATOM 1662 CB GLU A 102 7.112 -4.156 -14.930 1.00 0.00 C ATOM 1663 CG GLU A 102 8.244 -3.856 -15.898 1.00 0.00 C ATOM 1664 CD GLU A 102 8.975 -5.107 -16.346 1.00 0.00 C ATOM 1665 OE1 GLU A 102 9.382 -5.902 -15.474 1.00 0.00 O ATOM 1666 OE2 GLU A 102 9.139 -5.291 -17.571 1.00 0.00 O ATOM 0 H GLU A 102 5.457 -2.585 -15.910 1.00 0.00 H new ATOM 0 HA GLU A 102 6.084 -5.335 -16.405 1.00 0.00 H new ATOM 0 HB2 GLU A 102 6.895 -3.260 -14.349 1.00 0.00 H new ATOM 0 HB3 GLU A 102 7.440 -4.921 -14.226 1.00 0.00 H new ATOM 0 HG2 GLU A 102 7.844 -3.341 -16.771 1.00 0.00 H new ATOM 0 HG3 GLU A 102 8.952 -3.176 -15.424 1.00 0.00 H new ATOM 1673 N LEU A 103 4.182 -4.550 -13.837 1.00 0.00 N ATOM 1674 CA LEU A 103 3.279 -5.100 -12.831 1.00 0.00 C ATOM 1675 C LEU A 103 2.495 -6.282 -13.390 1.00 0.00 C ATOM 1676 O LEU A 103 2.076 -7.169 -12.647 1.00 0.00 O ATOM 1677 CB LEU A 103 2.314 -4.020 -12.339 1.00 0.00 C ATOM 1678 CG LEU A 103 2.933 -2.894 -11.509 1.00 0.00 C ATOM 1679 CD1 LEU A 103 2.153 -1.602 -11.698 1.00 0.00 C ATOM 1680 CD2 LEU A 103 2.981 -3.281 -10.038 1.00 0.00 C ATOM 0 H LEU A 103 4.183 -3.531 -13.891 1.00 0.00 H new ATOM 0 HA LEU A 103 3.880 -5.451 -11.992 1.00 0.00 H new ATOM 0 HB2 LEU A 103 1.823 -3.578 -13.206 1.00 0.00 H new ATOM 0 HB3 LEU A 103 1.537 -4.499 -11.743 1.00 0.00 H new ATOM 0 HG LEU A 103 3.954 -2.732 -11.854 1.00 0.00 H new ATOM 0 HD11 LEU A 103 2.607 -0.812 -11.100 1.00 0.00 H new ATOM 0 HD12 LEU A 103 2.171 -1.317 -12.750 1.00 0.00 H new ATOM 0 HD13 LEU A 103 1.121 -1.750 -11.380 1.00 0.00 H new ATOM 0 HD21 LEU A 103 3.424 -2.468 -9.462 1.00 0.00 H new ATOM 0 HD22 LEU A 103 1.970 -3.471 -9.679 1.00 0.00 H new ATOM 0 HD23 LEU A 103 3.584 -4.181 -9.918 1.00 0.00 H new