USER MOD reduce.3.24.130724 H: found=0, std=0, add=659, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 660 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 25 LYS NZ :NH3+ -152:sc= 0.345 (180deg=0) USER MOD Set 1.2: A 26 SER OG : rot 180:sc= 0.329 USER MOD Set 2.1: A 20 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 21 MET CE :methyl 134:sc= -1.27 (180deg=-1.81!) USER MOD Single : A 8 LYS NZ :NH3+ -119:sc= 0.0277 (180deg=0.0212) USER MOD Single : A 9 LYS NZ :NH3+ -159:sc= 0 (180deg=-0.273) USER MOD Single : A 13 THR OG1 : rot 180:sc= -0.227 USER MOD Single : A 14 THR OG1 : rot 107:sc= -3.98! USER MOD Single : A 15 ASN : amide:sc= -6.82! C(o=-6.8!,f=-19!) USER MOD Single : A 19 GLN : amide:sc=-0.00685 X(o=-0.0068,f=0) USER MOD Single : A 23 THR OG1 : rot 40:sc= -2.33 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot -130:sc= -2.2 USER MOD Single : A 29 THR OG1 : rot 87:sc= -1.49 USER MOD Single : A 34 GLN : amide:sc= -0.102 K(o=-0.1,f=-1.8) USER MOD Single : A 36 SER OG : rot 66:sc= -0.305 USER MOD Single : A 42 ASN : amide:sc= -0.629 K(o=-0.63,f=-0.064) USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 GLN : amide:sc= -4.22! C(o=-4.2!,f=-10!) USER MOD Single : A 49 CYS SG : rot 180:sc= -1.04 USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 63 GLN : amide:sc= -0.194 X(o=-0.19,f=0) USER MOD Single : A 66 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 GLN : amide:sc= -0.0993 X(o=-0.099,f=-0.3) USER MOD Single : A 75 HIS : no HD1:sc= -2.01 K(o=-2,f=-2.8) USER MOD Single : A 80 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 23 N GLU A 7 10.938 10.886 -5.183 1.00 0.00 N ATOM 24 CA GLU A 7 9.695 10.376 -4.614 1.00 0.00 C ATOM 25 C GLU A 7 9.800 10.235 -3.097 1.00 0.00 C ATOM 26 O GLU A 7 10.747 10.726 -2.483 1.00 0.00 O ATOM 27 CB GLU A 7 9.357 9.025 -5.241 1.00 0.00 C ATOM 28 CG GLU A 7 10.441 7.980 -5.046 1.00 0.00 C ATOM 29 CD GLU A 7 10.618 7.089 -6.261 1.00 0.00 C ATOM 30 OE1 GLU A 7 9.597 6.707 -6.872 1.00 0.00 O ATOM 31 OE2 GLU A 7 11.777 6.772 -6.601 1.00 0.00 O ATOM 0 HA GLU A 7 8.900 11.089 -4.833 1.00 0.00 H new ATOM 0 HB2 GLU A 7 8.426 8.656 -4.811 1.00 0.00 H new ATOM 0 HB3 GLU A 7 9.183 9.162 -6.308 1.00 0.00 H new ATOM 0 HG2 GLU A 7 11.385 8.478 -4.825 1.00 0.00 H new ATOM 0 HG3 GLU A 7 10.195 7.364 -4.181 1.00 0.00 H new ATOM 38 N LYS A 8 8.819 9.561 -2.497 1.00 0.00 N ATOM 39 CA LYS A 8 8.803 9.356 -1.056 1.00 0.00 C ATOM 40 C LYS A 8 9.103 7.902 -0.709 1.00 0.00 C ATOM 41 O LYS A 8 8.965 7.011 -1.548 1.00 0.00 O ATOM 42 CB LYS A 8 7.446 9.764 -0.476 1.00 0.00 C ATOM 43 CG LYS A 8 6.265 9.031 -1.092 1.00 0.00 C ATOM 44 CD LYS A 8 5.052 9.938 -1.222 1.00 0.00 C ATOM 45 CE LYS A 8 3.778 9.139 -1.444 1.00 0.00 C ATOM 46 NZ LYS A 8 2.635 10.011 -1.830 1.00 0.00 N ATOM 0 H LYS A 8 8.027 9.149 -2.990 1.00 0.00 H new ATOM 0 HA LYS A 8 9.580 9.982 -0.617 1.00 0.00 H new ATOM 0 HB2 LYS A 8 7.452 9.583 0.599 1.00 0.00 H new ATOM 0 HB3 LYS A 8 7.309 10.836 -0.618 1.00 0.00 H new ATOM 0 HG2 LYS A 8 6.544 8.651 -2.075 1.00 0.00 H new ATOM 0 HG3 LYS A 8 6.011 8.168 -0.477 1.00 0.00 H new ATOM 0 HD2 LYS A 8 4.951 10.543 -0.321 1.00 0.00 H new ATOM 0 HD3 LYS A 8 5.200 10.627 -2.053 1.00 0.00 H new ATOM 0 HE2 LYS A 8 3.947 8.396 -2.223 1.00 0.00 H new ATOM 0 HE3 LYS A 8 3.528 8.595 -0.533 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 1.881 9.930 -1.118 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 2.955 10.999 -1.885 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 2.269 9.714 -2.757 1.00 0.00 H new ATOM 60 N LYS A 9 9.508 7.669 0.535 1.00 0.00 N ATOM 61 CA LYS A 9 9.822 6.323 0.999 1.00 0.00 C ATOM 62 C LYS A 9 8.849 5.902 2.094 1.00 0.00 C ATOM 63 O LYS A 9 8.504 6.698 2.967 1.00 0.00 O ATOM 64 CB LYS A 9 11.262 6.256 1.514 1.00 0.00 C ATOM 65 CG LYS A 9 11.652 4.891 2.059 1.00 0.00 C ATOM 66 CD LYS A 9 11.786 4.911 3.575 1.00 0.00 C ATOM 67 CE LYS A 9 13.243 4.972 4.005 1.00 0.00 C ATOM 68 NZ LYS A 9 13.861 3.618 4.071 1.00 0.00 N ATOM 0 H LYS A 9 9.627 8.396 1.241 1.00 0.00 H new ATOM 0 HA LYS A 9 9.723 5.635 0.159 1.00 0.00 H new ATOM 0 HB2 LYS A 9 11.941 6.522 0.704 1.00 0.00 H new ATOM 0 HB3 LYS A 9 11.393 7.002 2.298 1.00 0.00 H new ATOM 0 HG2 LYS A 9 10.902 4.155 1.769 1.00 0.00 H new ATOM 0 HG3 LYS A 9 12.596 4.577 1.614 1.00 0.00 H new ATOM 0 HD2 LYS A 9 11.251 5.771 3.977 1.00 0.00 H new ATOM 0 HD3 LYS A 9 11.319 4.020 3.994 1.00 0.00 H new ATOM 0 HE2 LYS A 9 13.802 5.592 3.305 1.00 0.00 H new ATOM 0 HE3 LYS A 9 13.313 5.451 4.982 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 14.700 3.649 4.685 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 13.173 2.941 4.458 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 14.142 3.318 3.116 1.00 0.00 H new ATOM 82 N ILE A 10 8.399 4.655 2.035 1.00 0.00 N ATOM 83 CA ILE A 10 7.453 4.144 3.018 1.00 0.00 C ATOM 84 C ILE A 10 7.792 2.712 3.421 1.00 0.00 C ATOM 85 O ILE A 10 8.552 2.029 2.735 1.00 0.00 O ATOM 86 CB ILE A 10 6.002 4.201 2.486 1.00 0.00 C ATOM 87 CG1 ILE A 10 5.921 5.106 1.247 1.00 0.00 C ATOM 88 CG2 ILE A 10 5.064 4.695 3.579 1.00 0.00 C ATOM 89 CD1 ILE A 10 4.511 5.459 0.826 1.00 0.00 C ATOM 0 H ILE A 10 8.673 3.981 1.320 1.00 0.00 H new ATOM 0 HA ILE A 10 7.531 4.785 3.896 1.00 0.00 H new ATOM 0 HB ILE A 10 5.693 3.197 2.194 1.00 0.00 H new ATOM 0 HG12 ILE A 10 6.469 6.027 1.447 1.00 0.00 H new ATOM 0 HG13 ILE A 10 6.423 4.610 0.416 1.00 0.00 H new ATOM 0 HG21 ILE A 10 4.045 4.732 3.195 1.00 0.00 H new ATOM 0 HG22 ILE A 10 5.107 4.015 4.430 1.00 0.00 H new ATOM 0 HG23 ILE A 10 5.368 5.692 3.896 1.00 0.00 H new ATOM 0 HD11 ILE A 10 4.544 6.100 -0.055 1.00 0.00 H new ATOM 0 HD12 ILE A 10 3.962 4.547 0.591 1.00 0.00 H new ATOM 0 HD13 ILE A 10 4.010 5.985 1.638 1.00 0.00 H new ATOM 101 N ARG A 11 7.229 2.265 4.540 1.00 0.00 N ATOM 102 CA ARG A 11 7.480 0.915 5.034 1.00 0.00 C ATOM 103 C ARG A 11 6.342 -0.025 4.654 1.00 0.00 C ATOM 104 O ARG A 11 5.227 0.416 4.375 1.00 0.00 O ATOM 105 CB ARG A 11 7.661 0.927 6.554 1.00 0.00 C ATOM 106 CG ARG A 11 8.050 -0.426 7.130 1.00 0.00 C ATOM 107 CD ARG A 11 8.198 -0.370 8.642 1.00 0.00 C ATOM 108 NE ARG A 11 9.232 0.575 9.057 1.00 0.00 N ATOM 109 CZ ARG A 11 9.736 0.629 10.288 1.00 0.00 C ATOM 110 NH1 ARG A 11 9.307 -0.208 11.226 1.00 0.00 N ATOM 111 NH2 ARG A 11 10.672 1.520 10.583 1.00 0.00 N ATOM 0 H ARG A 11 6.597 2.817 5.121 1.00 0.00 H new ATOM 0 HA ARG A 11 8.397 0.553 4.570 1.00 0.00 H new ATOM 0 HB2 ARG A 11 8.427 1.658 6.815 1.00 0.00 H new ATOM 0 HB3 ARG A 11 6.733 1.258 7.020 1.00 0.00 H new ATOM 0 HG2 ARG A 11 7.294 -1.165 6.865 1.00 0.00 H new ATOM 0 HG3 ARG A 11 8.988 -0.756 6.684 1.00 0.00 H new ATOM 0 HD2 ARG A 11 7.246 -0.085 9.089 1.00 0.00 H new ATOM 0 HD3 ARG A 11 8.442 -1.363 9.019 1.00 0.00 H new ATOM 0 HE ARG A 11 9.589 1.232 8.363 1.00 0.00 H new ATOM 0 HH11 ARG A 11 8.588 -0.897 11.005 1.00 0.00 H new ATOM 0 HH12 ARG A 11 9.697 -0.162 12.167 1.00 0.00 H new ATOM 0 HH21 ARG A 11 11.006 2.165 9.867 1.00 0.00 H new ATOM 0 HH22 ARG A 11 11.058 1.561 11.526 1.00 0.00 H new ATOM 125 N ILE A 12 6.629 -1.322 4.650 1.00 0.00 N ATOM 126 CA ILE A 12 5.630 -2.324 4.310 1.00 0.00 C ATOM 127 C ILE A 12 5.756 -3.547 5.208 1.00 0.00 C ATOM 128 O ILE A 12 6.851 -3.902 5.640 1.00 0.00 O ATOM 129 CB ILE A 12 5.751 -2.792 2.847 1.00 0.00 C ATOM 130 CG1 ILE A 12 5.716 -1.603 1.885 1.00 0.00 C ATOM 131 CG2 ILE A 12 4.636 -3.774 2.527 1.00 0.00 C ATOM 132 CD1 ILE A 12 6.405 -1.877 0.564 1.00 0.00 C ATOM 0 H ILE A 12 7.547 -1.703 4.879 1.00 0.00 H new ATOM 0 HA ILE A 12 4.661 -1.846 4.454 1.00 0.00 H new ATOM 0 HB ILE A 12 6.711 -3.292 2.720 1.00 0.00 H new ATOM 0 HG12 ILE A 12 4.678 -1.329 1.695 1.00 0.00 H new ATOM 0 HG13 ILE A 12 6.190 -0.745 2.362 1.00 0.00 H new ATOM 0 HG21 ILE A 12 4.726 -4.102 1.491 1.00 0.00 H new ATOM 0 HG22 ILE A 12 4.710 -4.637 3.189 1.00 0.00 H new ATOM 0 HG23 ILE A 12 3.671 -3.288 2.671 1.00 0.00 H new ATOM 0 HD11 ILE A 12 6.342 -0.992 -0.069 1.00 0.00 H new ATOM 0 HD12 ILE A 12 7.452 -2.122 0.744 1.00 0.00 H new ATOM 0 HD13 ILE A 12 5.917 -2.715 0.066 1.00 0.00 H new ATOM 144 N THR A 13 4.629 -4.194 5.469 1.00 0.00 N ATOM 145 CA THR A 13 4.617 -5.388 6.301 1.00 0.00 C ATOM 146 C THR A 13 3.472 -6.315 5.916 1.00 0.00 C ATOM 147 O THR A 13 2.305 -5.946 6.015 1.00 0.00 O ATOM 148 CB THR A 13 4.507 -5.015 7.773 1.00 0.00 C ATOM 149 OG1 THR A 13 5.135 -3.771 8.027 1.00 0.00 O ATOM 150 CG2 THR A 13 5.138 -6.044 8.675 1.00 0.00 C ATOM 0 H THR A 13 3.714 -3.913 5.118 1.00 0.00 H new ATOM 0 HA THR A 13 5.557 -5.914 6.137 1.00 0.00 H new ATOM 0 HB THR A 13 3.440 -4.958 7.989 1.00 0.00 H new ATOM 0 HG1 THR A 13 5.051 -3.550 8.978 1.00 0.00 H new ATOM 0 HG21 THR A 13 5.033 -5.731 9.714 1.00 0.00 H new ATOM 0 HG22 THR A 13 4.643 -7.005 8.534 1.00 0.00 H new ATOM 0 HG23 THR A 13 6.196 -6.142 8.431 1.00 0.00 H new ATOM 158 N THR A 14 3.810 -7.523 5.479 1.00 0.00 N ATOM 159 CA THR A 14 2.796 -8.491 5.081 1.00 0.00 C ATOM 160 C THR A 14 2.435 -9.415 6.234 1.00 0.00 C ATOM 161 O THR A 14 3.291 -9.795 7.042 1.00 0.00 O ATOM 162 CB THR A 14 3.254 -9.310 3.875 1.00 0.00 C ATOM 163 OG1 THR A 14 3.880 -10.509 4.285 1.00 0.00 O ATOM 164 CG2 THR A 14 4.216 -8.565 2.978 1.00 0.00 C ATOM 0 H THR A 14 4.771 -7.853 5.392 1.00 0.00 H new ATOM 0 HA THR A 14 1.906 -7.929 4.797 1.00 0.00 H new ATOM 0 HB THR A 14 2.346 -9.520 3.309 1.00 0.00 H new ATOM 0 HG1 THR A 14 3.284 -11.267 4.107 1.00 0.00 H new ATOM 0 HG21 THR A 14 4.502 -9.203 2.142 1.00 0.00 H new ATOM 0 HG22 THR A 14 3.736 -7.663 2.599 1.00 0.00 H new ATOM 0 HG23 THR A 14 5.105 -8.291 3.546 1.00 0.00 H new ATOM 172 N ASN A 15 1.155 -9.768 6.289 1.00 0.00 N ATOM 173 CA ASN A 15 0.623 -10.643 7.328 1.00 0.00 C ATOM 174 C ASN A 15 1.414 -11.940 7.433 1.00 0.00 C ATOM 175 O ASN A 15 1.438 -12.575 8.489 1.00 0.00 O ATOM 176 CB ASN A 15 -0.851 -10.955 7.057 1.00 0.00 C ATOM 177 CG ASN A 15 -1.102 -11.375 5.622 1.00 0.00 C ATOM 178 OD1 ASN A 15 -0.251 -11.195 4.752 1.00 0.00 O ATOM 179 ND2 ASN A 15 -2.278 -11.937 5.365 1.00 0.00 N ATOM 0 H ASN A 15 0.457 -9.455 5.614 1.00 0.00 H new ATOM 0 HA ASN A 15 0.714 -10.115 8.277 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -1.180 -11.749 7.727 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -1.453 -10.075 7.285 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -2.503 -12.238 4.417 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -2.956 -12.068 6.116 1.00 0.00 H new ATOM 186 N ASP A 16 2.067 -12.335 6.346 1.00 0.00 N ATOM 187 CA ASP A 16 2.856 -13.561 6.352 1.00 0.00 C ATOM 188 C ASP A 16 3.957 -13.482 7.406 1.00 0.00 C ATOM 189 O ASP A 16 4.482 -14.503 7.849 1.00 0.00 O ATOM 190 CB ASP A 16 3.464 -13.819 4.972 1.00 0.00 C ATOM 191 CG ASP A 16 3.255 -15.249 4.514 1.00 0.00 C ATOM 192 OD1 ASP A 16 2.135 -15.571 4.064 1.00 0.00 O ATOM 193 OD2 ASP A 16 4.212 -16.047 4.606 1.00 0.00 O ATOM 0 H ASP A 16 2.067 -11.831 5.459 1.00 0.00 H new ATOM 0 HA ASP A 16 2.194 -14.391 6.599 1.00 0.00 H new ATOM 0 HB2 ASP A 16 3.018 -13.138 4.247 1.00 0.00 H new ATOM 0 HB3 ASP A 16 4.531 -13.600 5.000 1.00 0.00 H new ATOM 198 N GLY A 17 4.296 -12.259 7.805 1.00 0.00 N ATOM 199 CA GLY A 17 5.328 -12.062 8.805 1.00 0.00 C ATOM 200 C GLY A 17 6.573 -11.431 8.223 1.00 0.00 C ATOM 201 O GLY A 17 7.680 -11.666 8.707 1.00 0.00 O ATOM 0 H GLY A 17 3.873 -11.401 7.452 1.00 0.00 H new ATOM 0 HA2 GLY A 17 4.941 -11.429 9.604 1.00 0.00 H new ATOM 0 HA3 GLY A 17 5.585 -13.022 9.254 1.00 0.00 H new ATOM 205 N ARG A 18 6.396 -10.633 7.174 1.00 0.00 N ATOM 206 CA ARG A 18 7.525 -9.979 6.522 1.00 0.00 C ATOM 207 C ARG A 18 7.278 -8.483 6.347 1.00 0.00 C ATOM 208 O ARG A 18 6.141 -8.022 6.416 1.00 0.00 O ATOM 209 CB ARG A 18 7.776 -10.622 5.162 1.00 0.00 C ATOM 210 CG ARG A 18 6.548 -10.653 4.283 1.00 0.00 C ATOM 211 CD ARG A 18 6.832 -11.338 2.963 1.00 0.00 C ATOM 212 NE ARG A 18 6.595 -12.773 3.040 1.00 0.00 N ATOM 213 CZ ARG A 18 5.459 -13.358 2.673 1.00 0.00 C ATOM 214 NH1 ARG A 18 4.408 -12.625 2.324 1.00 0.00 N ATOM 215 NH2 ARG A 18 5.358 -14.680 2.692 1.00 0.00 N ATOM 0 H ARG A 18 5.487 -10.425 6.760 1.00 0.00 H new ATOM 0 HA ARG A 18 8.402 -10.104 7.158 1.00 0.00 H new ATOM 0 HB2 ARG A 18 8.568 -10.076 4.650 1.00 0.00 H new ATOM 0 HB3 ARG A 18 8.135 -11.640 5.310 1.00 0.00 H new ATOM 0 HG2 ARG A 18 5.742 -11.174 4.799 1.00 0.00 H new ATOM 0 HG3 ARG A 18 6.204 -9.635 4.100 1.00 0.00 H new ATOM 0 HD2 ARG A 18 6.202 -10.906 2.186 1.00 0.00 H new ATOM 0 HD3 ARG A 18 7.867 -11.155 2.673 1.00 0.00 H new ATOM 0 HE ARG A 18 7.345 -13.364 3.397 1.00 0.00 H new ATOM 0 HH11 ARG A 18 4.469 -11.607 2.337 1.00 0.00 H new ATOM 0 HH12 ARG A 18 3.539 -13.080 2.043 1.00 0.00 H new ATOM 0 HH21 ARG A 18 6.152 -15.248 2.988 1.00 0.00 H new ATOM 0 HH22 ARG A 18 4.486 -15.129 2.410 1.00 0.00 H new ATOM 229 N GLN A 19 8.354 -7.736 6.113 1.00 0.00 N ATOM 230 CA GLN A 19 8.259 -6.291 5.921 1.00 0.00 C ATOM 231 C GLN A 19 9.390 -5.782 5.034 1.00 0.00 C ATOM 232 O GLN A 19 10.451 -6.399 4.946 1.00 0.00 O ATOM 233 CB GLN A 19 8.287 -5.556 7.265 1.00 0.00 C ATOM 234 CG GLN A 19 9.104 -6.257 8.340 1.00 0.00 C ATOM 235 CD GLN A 19 10.079 -5.325 9.034 1.00 0.00 C ATOM 236 OE1 GLN A 19 11.283 -5.577 9.064 1.00 0.00 O ATOM 237 NE2 GLN A 19 9.560 -4.240 9.596 1.00 0.00 N ATOM 0 H GLN A 19 9.302 -8.107 6.052 1.00 0.00 H new ATOM 0 HA GLN A 19 7.308 -6.088 5.429 1.00 0.00 H new ATOM 0 HB2 GLN A 19 8.691 -4.555 7.111 1.00 0.00 H new ATOM 0 HB3 GLN A 19 7.264 -5.435 7.622 1.00 0.00 H new ATOM 0 HG2 GLN A 19 8.430 -6.688 9.080 1.00 0.00 H new ATOM 0 HG3 GLN A 19 9.655 -7.084 7.891 1.00 0.00 H new ATOM 0 HE21 GLN A 19 8.555 -4.071 9.547 1.00 0.00 H new ATOM 0 HE22 GLN A 19 10.166 -3.575 10.077 1.00 0.00 H new ATOM 246 N SER A 20 9.154 -4.650 4.378 1.00 0.00 N ATOM 247 CA SER A 20 10.151 -4.054 3.498 1.00 0.00 C ATOM 248 C SER A 20 9.802 -2.602 3.187 1.00 0.00 C ATOM 249 O SER A 20 8.642 -2.197 3.278 1.00 0.00 O ATOM 250 CB SER A 20 10.259 -4.856 2.199 1.00 0.00 C ATOM 251 OG SER A 20 11.531 -5.469 2.082 1.00 0.00 O ATOM 0 H SER A 20 8.280 -4.127 4.440 1.00 0.00 H new ATOM 0 HA SER A 20 11.113 -4.076 4.010 1.00 0.00 H new ATOM 0 HB2 SER A 20 9.481 -5.619 2.173 1.00 0.00 H new ATOM 0 HB3 SER A 20 10.089 -4.198 1.347 1.00 0.00 H new ATOM 0 HG SER A 20 11.574 -5.977 1.245 1.00 0.00 H new ATOM 257 N MET A 21 10.813 -1.823 2.818 1.00 0.00 N ATOM 258 CA MET A 21 10.615 -0.416 2.489 1.00 0.00 C ATOM 259 C MET A 21 10.554 -0.218 0.983 1.00 0.00 C ATOM 260 O MET A 21 11.032 -1.053 0.215 1.00 0.00 O ATOM 261 CB MET A 21 11.728 0.445 3.103 1.00 0.00 C ATOM 262 CG MET A 21 13.061 0.368 2.366 1.00 0.00 C ATOM 263 SD MET A 21 14.062 -1.042 2.875 1.00 0.00 S ATOM 264 CE MET A 21 13.826 -2.142 1.482 1.00 0.00 C ATOM 0 H MET A 21 11.779 -2.142 2.739 1.00 0.00 H new ATOM 0 HA MET A 21 9.662 -0.098 2.913 1.00 0.00 H new ATOM 0 HB2 MET A 21 11.398 1.484 3.124 1.00 0.00 H new ATOM 0 HB3 MET A 21 11.880 0.137 4.138 1.00 0.00 H new ATOM 0 HG2 MET A 21 12.875 0.307 1.294 1.00 0.00 H new ATOM 0 HG3 MET A 21 13.621 1.287 2.541 1.00 0.00 H new ATOM 0 HE1 MET A 21 14.788 -2.553 1.176 1.00 0.00 H new ATOM 0 HE2 MET A 21 13.159 -2.955 1.769 1.00 0.00 H new ATOM 0 HE3 MET A 21 13.387 -1.589 0.652 1.00 0.00 H new ATOM 274 N VAL A 22 9.955 0.887 0.567 1.00 0.00 N ATOM 275 CA VAL A 22 9.821 1.186 -0.847 1.00 0.00 C ATOM 276 C VAL A 22 10.008 2.673 -1.120 1.00 0.00 C ATOM 277 O VAL A 22 10.093 3.481 -0.196 1.00 0.00 O ATOM 278 CB VAL A 22 8.442 0.755 -1.373 1.00 0.00 C ATOM 279 CG1 VAL A 22 8.389 -0.753 -1.569 1.00 0.00 C ATOM 280 CG2 VAL A 22 7.344 1.216 -0.430 1.00 0.00 C ATOM 0 H VAL A 22 9.555 1.590 1.189 1.00 0.00 H new ATOM 0 HA VAL A 22 10.600 0.626 -1.365 1.00 0.00 H new ATOM 0 HB VAL A 22 8.280 1.228 -2.342 1.00 0.00 H new ATOM 0 HG11 VAL A 22 7.405 -1.037 -1.942 1.00 0.00 H new ATOM 0 HG12 VAL A 22 9.150 -1.053 -2.289 1.00 0.00 H new ATOM 0 HG13 VAL A 22 8.574 -1.250 -0.617 1.00 0.00 H new ATOM 0 HG21 VAL A 22 6.375 0.902 -0.818 1.00 0.00 H new ATOM 0 HG22 VAL A 22 7.501 0.775 0.554 1.00 0.00 H new ATOM 0 HG23 VAL A 22 7.367 2.303 -0.348 1.00 0.00 H new ATOM 290 N THR A 23 10.066 3.021 -2.399 1.00 0.00 N ATOM 291 CA THR A 23 10.237 4.408 -2.810 1.00 0.00 C ATOM 292 C THR A 23 9.003 4.895 -3.562 1.00 0.00 C ATOM 293 O THR A 23 9.108 5.485 -4.637 1.00 0.00 O ATOM 294 CB THR A 23 11.477 4.545 -3.692 1.00 0.00 C ATOM 295 OG1 THR A 23 11.813 5.907 -3.884 1.00 0.00 O ATOM 296 CG2 THR A 23 11.303 3.916 -5.057 1.00 0.00 C ATOM 0 H THR A 23 9.997 2.359 -3.172 1.00 0.00 H new ATOM 0 HA THR A 23 10.367 5.022 -1.919 1.00 0.00 H new ATOM 0 HB THR A 23 12.271 4.019 -3.162 1.00 0.00 H new ATOM 0 HG1 THR A 23 11.684 6.397 -3.045 1.00 0.00 H new ATOM 0 HG21 THR A 23 12.217 4.046 -5.637 1.00 0.00 H new ATOM 0 HG22 THR A 23 11.093 2.852 -4.943 1.00 0.00 H new ATOM 0 HG23 THR A 23 10.473 4.396 -5.576 1.00 0.00 H new ATOM 304 N LEU A 24 7.832 4.628 -2.990 1.00 0.00 N ATOM 305 CA LEU A 24 6.561 5.022 -3.596 1.00 0.00 C ATOM 306 C LEU A 24 6.650 6.406 -4.236 1.00 0.00 C ATOM 307 O LEU A 24 7.134 7.354 -3.623 1.00 0.00 O ATOM 308 CB LEU A 24 5.447 5.004 -2.544 1.00 0.00 C ATOM 309 CG LEU A 24 4.182 4.252 -2.959 1.00 0.00 C ATOM 310 CD1 LEU A 24 4.523 2.842 -3.413 1.00 0.00 C ATOM 311 CD2 LEU A 24 3.182 4.217 -1.812 1.00 0.00 C ATOM 0 H LEU A 24 7.736 4.137 -2.101 1.00 0.00 H new ATOM 0 HA LEU A 24 6.330 4.302 -4.381 1.00 0.00 H new ATOM 0 HB2 LEU A 24 5.837 4.554 -1.631 1.00 0.00 H new ATOM 0 HB3 LEU A 24 5.178 6.032 -2.303 1.00 0.00 H new ATOM 0 HG LEU A 24 3.727 4.781 -3.796 1.00 0.00 H new ATOM 0 HD11 LEU A 24 3.610 2.323 -3.704 1.00 0.00 H new ATOM 0 HD12 LEU A 24 5.202 2.888 -4.265 1.00 0.00 H new ATOM 0 HD13 LEU A 24 5.002 2.303 -2.596 1.00 0.00 H new ATOM 0 HD21 LEU A 24 2.288 3.678 -2.125 1.00 0.00 H new ATOM 0 HD22 LEU A 24 3.629 3.712 -0.955 1.00 0.00 H new ATOM 0 HD23 LEU A 24 2.912 5.236 -1.533 1.00 0.00 H new ATOM 323 N LYS A 25 6.183 6.507 -5.476 1.00 0.00 N ATOM 324 CA LYS A 25 6.212 7.770 -6.204 1.00 0.00 C ATOM 325 C LYS A 25 5.240 8.774 -5.592 1.00 0.00 C ATOM 326 O LYS A 25 4.171 8.404 -5.107 1.00 0.00 O ATOM 327 CB LYS A 25 5.876 7.537 -7.680 1.00 0.00 C ATOM 328 CG LYS A 25 6.996 7.943 -8.625 1.00 0.00 C ATOM 329 CD LYS A 25 6.521 8.954 -9.659 1.00 0.00 C ATOM 330 CE LYS A 25 5.947 10.201 -9.003 1.00 0.00 C ATOM 331 NZ LYS A 25 6.712 11.424 -9.369 1.00 0.00 N ATOM 0 H LYS A 25 5.780 5.729 -5.998 1.00 0.00 H new ATOM 0 HA LYS A 25 7.218 8.183 -6.131 1.00 0.00 H new ATOM 0 HB2 LYS A 25 5.648 6.482 -7.831 1.00 0.00 H new ATOM 0 HB3 LYS A 25 4.976 8.097 -7.933 1.00 0.00 H new ATOM 0 HG2 LYS A 25 7.820 8.368 -8.052 1.00 0.00 H new ATOM 0 HG3 LYS A 25 7.383 7.059 -9.131 1.00 0.00 H new ATOM 0 HD2 LYS A 25 7.354 9.233 -10.305 1.00 0.00 H new ATOM 0 HD3 LYS A 25 5.764 8.496 -10.295 1.00 0.00 H new ATOM 0 HE2 LYS A 25 4.906 10.321 -9.302 1.00 0.00 H new ATOM 0 HE3 LYS A 25 5.956 10.078 -7.920 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 6.635 12.124 -8.603 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 7.712 11.178 -9.514 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 6.324 11.827 -10.246 1.00 0.00 H new ATOM 345 N SER A 26 5.623 10.048 -5.613 1.00 0.00 N ATOM 346 CA SER A 26 4.789 11.112 -5.058 1.00 0.00 C ATOM 347 C SER A 26 3.363 11.032 -5.596 1.00 0.00 C ATOM 348 O SER A 26 2.398 11.247 -4.862 1.00 0.00 O ATOM 349 CB SER A 26 5.392 12.480 -5.379 1.00 0.00 C ATOM 350 OG SER A 26 5.916 12.510 -6.696 1.00 0.00 O ATOM 0 H SER A 26 6.506 10.370 -6.009 1.00 0.00 H new ATOM 0 HA SER A 26 4.754 10.981 -3.976 1.00 0.00 H new ATOM 0 HB2 SER A 26 4.630 13.252 -5.270 1.00 0.00 H new ATOM 0 HB3 SER A 26 6.182 12.709 -4.664 1.00 0.00 H new ATOM 0 HG SER A 26 6.294 13.396 -6.878 1.00 0.00 H new ATOM 356 N SER A 27 3.239 10.718 -6.881 1.00 0.00 N ATOM 357 CA SER A 27 1.932 10.606 -7.517 1.00 0.00 C ATOM 358 C SER A 27 1.560 9.142 -7.733 1.00 0.00 C ATOM 359 O SER A 27 1.035 8.772 -8.783 1.00 0.00 O ATOM 360 CB SER A 27 1.924 11.352 -8.852 1.00 0.00 C ATOM 361 OG SER A 27 2.275 12.714 -8.678 1.00 0.00 O ATOM 0 H SER A 27 4.027 10.537 -7.502 1.00 0.00 H new ATOM 0 HA SER A 27 1.192 11.057 -6.856 1.00 0.00 H new ATOM 0 HB2 SER A 27 2.623 10.878 -9.541 1.00 0.00 H new ATOM 0 HB3 SER A 27 0.935 11.283 -9.305 1.00 0.00 H new ATOM 0 HG SER A 27 2.264 13.168 -9.546 1.00 0.00 H new ATOM 367 N THR A 28 1.838 8.313 -6.732 1.00 0.00 N ATOM 368 CA THR A 28 1.537 6.890 -6.811 1.00 0.00 C ATOM 369 C THR A 28 0.157 6.596 -6.233 1.00 0.00 C ATOM 370 O THR A 28 -0.072 6.760 -5.036 1.00 0.00 O ATOM 371 CB THR A 28 2.604 6.080 -6.063 1.00 0.00 C ATOM 372 OG1 THR A 28 3.782 5.972 -6.838 1.00 0.00 O ATOM 373 CG2 THR A 28 2.164 4.673 -5.704 1.00 0.00 C ATOM 0 H THR A 28 2.272 8.604 -5.856 1.00 0.00 H new ATOM 0 HA THR A 28 1.540 6.598 -7.861 1.00 0.00 H new ATOM 0 HB THR A 28 2.780 6.630 -5.139 1.00 0.00 H new ATOM 0 HG1 THR A 28 4.064 5.034 -6.876 1.00 0.00 H new ATOM 0 HG21 THR A 28 2.971 4.163 -5.178 1.00 0.00 H new ATOM 0 HG22 THR A 28 1.284 4.720 -5.062 1.00 0.00 H new ATOM 0 HG23 THR A 28 1.921 4.125 -6.614 1.00 0.00 H new ATOM 381 N THR A 29 -0.753 6.145 -7.088 1.00 0.00 N ATOM 382 CA THR A 29 -2.102 5.814 -6.655 1.00 0.00 C ATOM 383 C THR A 29 -2.164 4.366 -6.182 1.00 0.00 C ATOM 384 O THR A 29 -1.171 3.642 -6.245 1.00 0.00 O ATOM 385 CB THR A 29 -3.101 6.047 -7.790 1.00 0.00 C ATOM 386 OG1 THR A 29 -4.386 5.558 -7.440 1.00 0.00 O ATOM 387 CG2 THR A 29 -2.694 5.392 -9.092 1.00 0.00 C ATOM 0 H THR A 29 -0.580 6.001 -8.083 1.00 0.00 H new ATOM 0 HA THR A 29 -2.369 6.465 -5.822 1.00 0.00 H new ATOM 0 HB THR A 29 -3.120 7.127 -7.939 1.00 0.00 H new ATOM 0 HG1 THR A 29 -4.878 6.251 -6.952 1.00 0.00 H new ATOM 0 HG21 THR A 29 -3.447 5.597 -9.853 1.00 0.00 H new ATOM 0 HG22 THR A 29 -1.733 5.791 -9.415 1.00 0.00 H new ATOM 0 HG23 THR A 29 -2.609 4.315 -8.947 1.00 0.00 H new ATOM 395 N PHE A 30 -3.333 3.949 -5.703 1.00 0.00 N ATOM 396 CA PHE A 30 -3.523 2.585 -5.213 1.00 0.00 C ATOM 397 C PHE A 30 -2.908 1.563 -6.167 1.00 0.00 C ATOM 398 O PHE A 30 -2.272 0.603 -5.734 1.00 0.00 O ATOM 399 CB PHE A 30 -5.012 2.293 -5.026 1.00 0.00 C ATOM 400 CG PHE A 30 -5.290 0.973 -4.367 1.00 0.00 C ATOM 401 CD1 PHE A 30 -5.125 0.819 -2.999 1.00 0.00 C ATOM 402 CD2 PHE A 30 -5.716 -0.113 -5.114 1.00 0.00 C ATOM 403 CE1 PHE A 30 -5.381 -0.395 -2.390 1.00 0.00 C ATOM 404 CE2 PHE A 30 -5.973 -1.329 -4.510 1.00 0.00 C ATOM 405 CZ PHE A 30 -5.805 -1.470 -3.146 1.00 0.00 C ATOM 0 H PHE A 30 -4.165 4.536 -5.643 1.00 0.00 H new ATOM 0 HA PHE A 30 -3.016 2.501 -4.252 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -5.457 3.088 -4.428 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -5.502 2.314 -5.999 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -4.793 1.656 -2.403 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -5.849 -0.008 -6.181 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -5.250 -0.503 -1.323 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -6.305 -2.168 -5.103 1.00 0.00 H new ATOM 0 HZ PHE A 30 -6.005 -2.419 -2.672 1.00 0.00 H new ATOM 415 N PHE A 31 -3.097 1.779 -7.464 1.00 0.00 N ATOM 416 CA PHE A 31 -2.553 0.876 -8.471 1.00 0.00 C ATOM 417 C PHE A 31 -1.028 0.883 -8.428 1.00 0.00 C ATOM 418 O PHE A 31 -0.399 -0.146 -8.183 1.00 0.00 O ATOM 419 CB PHE A 31 -3.039 1.278 -9.863 1.00 0.00 C ATOM 420 CG PHE A 31 -4.512 1.567 -9.924 1.00 0.00 C ATOM 421 CD1 PHE A 31 -5.424 0.719 -9.314 1.00 0.00 C ATOM 422 CD2 PHE A 31 -4.985 2.687 -10.589 1.00 0.00 C ATOM 423 CE1 PHE A 31 -6.779 0.983 -9.367 1.00 0.00 C ATOM 424 CE2 PHE A 31 -6.339 2.957 -10.645 1.00 0.00 C ATOM 425 CZ PHE A 31 -7.237 2.103 -10.033 1.00 0.00 C ATOM 0 H PHE A 31 -3.621 2.569 -7.842 1.00 0.00 H new ATOM 0 HA PHE A 31 -2.904 -0.133 -8.253 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -2.490 2.161 -10.190 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -2.804 0.479 -10.566 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -5.071 -0.158 -8.792 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -4.287 3.357 -11.069 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -7.479 0.314 -8.888 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -6.695 3.834 -11.166 1.00 0.00 H new ATOM 0 HZ PHE A 31 -8.296 2.311 -10.076 1.00 0.00 H new ATOM 435 N GLU A 32 -0.441 2.053 -8.664 1.00 0.00 N ATOM 436 CA GLU A 32 1.006 2.206 -8.650 1.00 0.00 C ATOM 437 C GLU A 32 1.611 1.632 -7.370 1.00 0.00 C ATOM 438 O GLU A 32 2.712 1.080 -7.386 1.00 0.00 O ATOM 439 CB GLU A 32 1.367 3.683 -8.786 1.00 0.00 C ATOM 440 CG GLU A 32 1.261 4.201 -10.210 1.00 0.00 C ATOM 441 CD GLU A 32 -0.093 3.931 -10.839 1.00 0.00 C ATOM 442 OE1 GLU A 32 -0.385 2.753 -11.136 1.00 0.00 O ATOM 443 OE2 GLU A 32 -0.858 4.897 -11.038 1.00 0.00 O ATOM 0 H GLU A 32 -0.951 2.912 -8.868 1.00 0.00 H new ATOM 0 HA GLU A 32 1.419 1.651 -9.493 1.00 0.00 H new ATOM 0 HB2 GLU A 32 0.711 4.270 -8.144 1.00 0.00 H new ATOM 0 HB3 GLU A 32 2.385 3.835 -8.427 1.00 0.00 H new ATOM 0 HG2 GLU A 32 1.451 5.274 -10.216 1.00 0.00 H new ATOM 0 HG3 GLU A 32 2.037 3.737 -10.818 1.00 0.00 H new ATOM 450 N LEU A 33 0.882 1.764 -6.267 1.00 0.00 N ATOM 451 CA LEU A 33 1.346 1.255 -4.981 1.00 0.00 C ATOM 452 C LEU A 33 1.417 -0.269 -5.002 1.00 0.00 C ATOM 453 O LEU A 33 2.426 -0.860 -4.618 1.00 0.00 O ATOM 454 CB LEU A 33 0.418 1.730 -3.858 1.00 0.00 C ATOM 455 CG LEU A 33 0.544 0.973 -2.531 1.00 0.00 C ATOM 456 CD1 LEU A 33 1.998 0.891 -2.094 1.00 0.00 C ATOM 457 CD2 LEU A 33 -0.299 1.642 -1.456 1.00 0.00 C ATOM 0 H LEU A 33 -0.031 2.218 -6.237 1.00 0.00 H new ATOM 0 HA LEU A 33 2.348 1.643 -4.796 1.00 0.00 H new ATOM 0 HB2 LEU A 33 0.612 2.787 -3.673 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -0.612 1.651 -4.204 1.00 0.00 H new ATOM 0 HG LEU A 33 0.175 -0.042 -2.679 1.00 0.00 H new ATOM 0 HD11 LEU A 33 2.064 0.350 -1.150 1.00 0.00 H new ATOM 0 HD12 LEU A 33 2.577 0.367 -2.854 1.00 0.00 H new ATOM 0 HD13 LEU A 33 2.396 1.897 -1.964 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -0.198 1.092 -0.520 1.00 0.00 H new ATOM 0 HD22 LEU A 33 0.041 2.668 -1.313 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -1.345 1.646 -1.764 1.00 0.00 H new ATOM 469 N GLN A 34 0.339 -0.899 -5.457 1.00 0.00 N ATOM 470 CA GLN A 34 0.278 -2.355 -5.531 1.00 0.00 C ATOM 471 C GLN A 34 1.431 -2.911 -6.364 1.00 0.00 C ATOM 472 O GLN A 34 1.847 -4.055 -6.179 1.00 0.00 O ATOM 473 CB GLN A 34 -1.057 -2.800 -6.129 1.00 0.00 C ATOM 474 CG GLN A 34 -2.266 -2.247 -5.396 1.00 0.00 C ATOM 475 CD GLN A 34 -2.899 -3.262 -4.466 1.00 0.00 C ATOM 476 OE1 GLN A 34 -4.093 -3.545 -4.556 1.00 0.00 O ATOM 477 NE2 GLN A 34 -2.097 -3.817 -3.565 1.00 0.00 N ATOM 0 H GLN A 34 -0.504 -0.425 -5.780 1.00 0.00 H new ATOM 0 HA GLN A 34 0.365 -2.747 -4.518 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -1.101 -2.487 -7.172 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -1.104 -3.889 -6.121 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -1.968 -1.370 -4.822 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -3.007 -1.915 -6.124 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -1.113 -3.552 -3.526 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -2.465 -4.508 -2.911 1.00 0.00 H new ATOM 486 N GLU A 35 1.942 -2.096 -7.282 1.00 0.00 N ATOM 487 CA GLU A 35 3.046 -2.510 -8.141 1.00 0.00 C ATOM 488 C GLU A 35 4.380 -2.413 -7.408 1.00 0.00 C ATOM 489 O GLU A 35 5.318 -3.150 -7.709 1.00 0.00 O ATOM 490 CB GLU A 35 3.083 -1.650 -9.406 1.00 0.00 C ATOM 491 CG GLU A 35 4.084 -2.136 -10.442 1.00 0.00 C ATOM 492 CD GLU A 35 3.455 -2.365 -11.803 1.00 0.00 C ATOM 493 OE1 GLU A 35 2.745 -1.460 -12.288 1.00 0.00 O ATOM 494 OE2 GLU A 35 3.672 -3.450 -12.382 1.00 0.00 O ATOM 0 H GLU A 35 1.610 -1.146 -7.450 1.00 0.00 H new ATOM 0 HA GLU A 35 2.883 -3.551 -8.419 1.00 0.00 H new ATOM 0 HB2 GLU A 35 2.089 -1.633 -9.853 1.00 0.00 H new ATOM 0 HB3 GLU A 35 3.326 -0.624 -9.131 1.00 0.00 H new ATOM 0 HG2 GLU A 35 4.887 -1.405 -10.536 1.00 0.00 H new ATOM 0 HG3 GLU A 35 4.537 -3.065 -10.095 1.00 0.00 H new ATOM 501 N SER A 36 4.459 -1.501 -6.444 1.00 0.00 N ATOM 502 CA SER A 36 5.680 -1.312 -5.669 1.00 0.00 C ATOM 503 C SER A 36 5.904 -2.480 -4.715 1.00 0.00 C ATOM 504 O SER A 36 6.991 -3.057 -4.668 1.00 0.00 O ATOM 505 CB SER A 36 5.616 0.000 -4.885 1.00 0.00 C ATOM 506 OG SER A 36 5.334 1.093 -5.743 1.00 0.00 O ATOM 0 H SER A 36 3.692 -0.882 -6.181 1.00 0.00 H new ATOM 0 HA SER A 36 6.519 -1.268 -6.364 1.00 0.00 H new ATOM 0 HB2 SER A 36 4.848 -0.070 -4.115 1.00 0.00 H new ATOM 0 HB3 SER A 36 6.564 0.169 -4.375 1.00 0.00 H new ATOM 0 HG SER A 36 4.429 0.999 -6.106 1.00 0.00 H new ATOM 512 N ILE A 37 4.867 -2.827 -3.959 1.00 0.00 N ATOM 513 CA ILE A 37 4.952 -3.930 -3.009 1.00 0.00 C ATOM 514 C ILE A 37 5.265 -5.237 -3.726 1.00 0.00 C ATOM 515 O ILE A 37 6.008 -6.076 -3.214 1.00 0.00 O ATOM 516 CB ILE A 37 3.642 -4.092 -2.216 1.00 0.00 C ATOM 517 CG1 ILE A 37 3.229 -2.759 -1.589 1.00 0.00 C ATOM 518 CG2 ILE A 37 3.797 -5.164 -1.146 1.00 0.00 C ATOM 519 CD1 ILE A 37 1.775 -2.409 -1.818 1.00 0.00 C ATOM 0 H ILE A 37 3.960 -2.361 -3.986 1.00 0.00 H new ATOM 0 HA ILE A 37 5.757 -3.693 -2.314 1.00 0.00 H new ATOM 0 HB ILE A 37 2.857 -4.405 -2.904 1.00 0.00 H new ATOM 0 HG12 ILE A 37 3.421 -2.796 -0.517 1.00 0.00 H new ATOM 0 HG13 ILE A 37 3.854 -1.965 -1.998 1.00 0.00 H new ATOM 0 HG21 ILE A 37 2.862 -5.266 -0.595 1.00 0.00 H new ATOM 0 HG22 ILE A 37 4.046 -6.115 -1.617 1.00 0.00 H new ATOM 0 HG23 ILE A 37 4.594 -4.880 -0.459 1.00 0.00 H new ATOM 0 HD11 ILE A 37 1.552 -1.452 -1.346 1.00 0.00 H new ATOM 0 HD12 ILE A 37 1.582 -2.339 -2.888 1.00 0.00 H new ATOM 0 HD13 ILE A 37 1.142 -3.183 -1.385 1.00 0.00 H new ATOM 531 N ALA A 38 4.699 -5.400 -4.916 1.00 0.00 N ATOM 532 CA ALA A 38 4.922 -6.603 -5.710 1.00 0.00 C ATOM 533 C ALA A 38 6.404 -6.792 -6.017 1.00 0.00 C ATOM 534 O ALA A 38 6.839 -7.889 -6.371 1.00 0.00 O ATOM 535 CB ALA A 38 4.115 -6.540 -6.998 1.00 0.00 C ATOM 0 H ALA A 38 4.082 -4.715 -5.353 1.00 0.00 H new ATOM 0 HA ALA A 38 4.588 -7.462 -5.127 1.00 0.00 H new ATOM 0 HB1 ALA A 38 4.290 -7.444 -7.582 1.00 0.00 H new ATOM 0 HB2 ALA A 38 3.054 -6.462 -6.759 1.00 0.00 H new ATOM 0 HB3 ALA A 38 4.421 -5.669 -7.577 1.00 0.00 H new ATOM 541 N ARG A 39 7.179 -5.719 -5.879 1.00 0.00 N ATOM 542 CA ARG A 39 8.613 -5.772 -6.140 1.00 0.00 C ATOM 543 C ARG A 39 9.377 -6.112 -4.866 1.00 0.00 C ATOM 544 O ARG A 39 10.250 -6.981 -4.863 1.00 0.00 O ATOM 545 CB ARG A 39 9.106 -4.432 -6.697 1.00 0.00 C ATOM 546 CG ARG A 39 8.070 -3.690 -7.525 1.00 0.00 C ATOM 547 CD ARG A 39 8.719 -2.663 -8.438 1.00 0.00 C ATOM 548 NE ARG A 39 7.749 -1.706 -8.962 1.00 0.00 N ATOM 549 CZ ARG A 39 8.007 -0.855 -9.953 1.00 0.00 C ATOM 550 NH1 ARG A 39 9.201 -0.841 -10.530 1.00 0.00 N ATOM 551 NH2 ARG A 39 7.068 -0.016 -10.367 1.00 0.00 N ATOM 0 H ARG A 39 6.837 -4.803 -5.588 1.00 0.00 H new ATOM 0 HA ARG A 39 8.795 -6.552 -6.879 1.00 0.00 H new ATOM 0 HB2 ARG A 39 9.416 -3.797 -5.867 1.00 0.00 H new ATOM 0 HB3 ARG A 39 9.989 -4.608 -7.311 1.00 0.00 H new ATOM 0 HG2 ARG A 39 7.502 -4.403 -8.123 1.00 0.00 H new ATOM 0 HG3 ARG A 39 7.361 -3.193 -6.863 1.00 0.00 H new ATOM 0 HD2 ARG A 39 9.495 -2.129 -7.889 1.00 0.00 H new ATOM 0 HD3 ARG A 39 9.209 -3.173 -9.267 1.00 0.00 H new ATOM 0 HE ARG A 39 6.819 -1.688 -8.544 1.00 0.00 H new ATOM 0 HH11 ARG A 39 9.927 -1.484 -10.215 1.00 0.00 H new ATOM 0 HH12 ARG A 39 9.393 -0.187 -11.289 1.00 0.00 H new ATOM 0 HH21 ARG A 39 6.148 -0.022 -9.926 1.00 0.00 H new ATOM 0 HH22 ARG A 39 7.265 0.636 -11.126 1.00 0.00 H new ATOM 565 N GLU A 40 9.041 -5.417 -3.785 1.00 0.00 N ATOM 566 CA GLU A 40 9.691 -5.637 -2.499 1.00 0.00 C ATOM 567 C GLU A 40 9.378 -7.026 -1.953 1.00 0.00 C ATOM 568 O GLU A 40 10.215 -7.651 -1.302 1.00 0.00 O ATOM 569 CB GLU A 40 9.249 -4.569 -1.496 1.00 0.00 C ATOM 570 CG GLU A 40 10.309 -3.517 -1.221 1.00 0.00 C ATOM 571 CD GLU A 40 10.812 -2.850 -2.487 1.00 0.00 C ATOM 572 OE1 GLU A 40 10.034 -2.760 -3.459 1.00 0.00 O ATOM 573 OE2 GLU A 40 11.984 -2.418 -2.505 1.00 0.00 O ATOM 0 H GLU A 40 8.321 -4.695 -3.774 1.00 0.00 H new ATOM 0 HA GLU A 40 10.768 -5.566 -2.649 1.00 0.00 H new ATOM 0 HB2 GLU A 40 8.351 -4.078 -1.872 1.00 0.00 H new ATOM 0 HB3 GLU A 40 8.978 -5.053 -0.558 1.00 0.00 H new ATOM 0 HG2 GLU A 40 9.899 -2.759 -0.554 1.00 0.00 H new ATOM 0 HG3 GLU A 40 11.148 -3.979 -0.701 1.00 0.00 H new ATOM 580 N PHE A 41 8.164 -7.502 -2.213 1.00 0.00 N ATOM 581 CA PHE A 41 7.742 -8.815 -1.740 1.00 0.00 C ATOM 582 C PHE A 41 7.473 -9.763 -2.905 1.00 0.00 C ATOM 583 O PHE A 41 7.736 -9.431 -4.061 1.00 0.00 O ATOM 584 CB PHE A 41 6.490 -8.681 -0.869 1.00 0.00 C ATOM 585 CG PHE A 41 6.665 -7.725 0.275 1.00 0.00 C ATOM 586 CD1 PHE A 41 6.491 -6.362 0.089 1.00 0.00 C ATOM 587 CD2 PHE A 41 7.004 -8.187 1.535 1.00 0.00 C ATOM 588 CE1 PHE A 41 6.652 -5.480 1.139 1.00 0.00 C ATOM 589 CE2 PHE A 41 7.167 -7.309 2.590 1.00 0.00 C ATOM 590 CZ PHE A 41 6.991 -5.954 2.392 1.00 0.00 C ATOM 0 H PHE A 41 7.456 -6.998 -2.748 1.00 0.00 H new ATOM 0 HA PHE A 41 8.551 -9.236 -1.144 1.00 0.00 H new ATOM 0 HB2 PHE A 41 5.658 -8.347 -1.489 1.00 0.00 H new ATOM 0 HB3 PHE A 41 6.222 -9.662 -0.477 1.00 0.00 H new ATOM 0 HD1 PHE A 41 6.227 -5.986 -0.888 1.00 0.00 H new ATOM 0 HD2 PHE A 41 7.143 -9.246 1.696 1.00 0.00 H new ATOM 0 HE1 PHE A 41 6.513 -4.421 0.981 1.00 0.00 H new ATOM 0 HE2 PHE A 41 7.432 -7.682 3.568 1.00 0.00 H new ATOM 0 HZ PHE A 41 7.118 -5.266 3.215 1.00 0.00 H new ATOM 600 N ASN A 42 6.958 -10.948 -2.591 1.00 0.00 N ATOM 601 CA ASN A 42 6.664 -11.948 -3.611 1.00 0.00 C ATOM 602 C ASN A 42 5.158 -12.140 -3.784 1.00 0.00 C ATOM 603 O ASN A 42 4.677 -13.266 -3.904 1.00 0.00 O ATOM 604 CB ASN A 42 7.320 -13.282 -3.246 1.00 0.00 C ATOM 605 CG ASN A 42 8.829 -13.179 -3.156 1.00 0.00 C ATOM 606 OD1 ASN A 42 9.551 -13.701 -4.005 1.00 0.00 O ATOM 607 ND2 ASN A 42 9.316 -12.500 -2.122 1.00 0.00 N ATOM 0 H ASN A 42 6.736 -11.239 -1.639 1.00 0.00 H new ATOM 0 HA ASN A 42 7.072 -11.591 -4.557 1.00 0.00 H new ATOM 0 HB2 ASN A 42 6.925 -13.629 -2.291 1.00 0.00 H new ATOM 0 HB3 ASN A 42 7.054 -14.031 -3.992 1.00 0.00 H new ATOM 0 HD21 ASN A 42 10.324 -12.396 -2.010 1.00 0.00 H new ATOM 0 HD22 ASN A 42 8.681 -12.083 -1.441 1.00 0.00 H new ATOM 614 N ILE A 43 4.419 -11.035 -3.805 1.00 0.00 N ATOM 615 CA ILE A 43 2.974 -11.087 -3.973 1.00 0.00 C ATOM 616 C ILE A 43 2.523 -10.148 -5.090 1.00 0.00 C ATOM 617 O ILE A 43 2.981 -9.009 -5.177 1.00 0.00 O ATOM 618 CB ILE A 43 2.236 -10.720 -2.670 1.00 0.00 C ATOM 619 CG1 ILE A 43 2.729 -11.596 -1.516 1.00 0.00 C ATOM 620 CG2 ILE A 43 0.731 -10.871 -2.848 1.00 0.00 C ATOM 621 CD1 ILE A 43 3.683 -10.884 -0.586 1.00 0.00 C ATOM 0 H ILE A 43 4.799 -10.093 -3.708 1.00 0.00 H new ATOM 0 HA ILE A 43 2.721 -12.114 -4.238 1.00 0.00 H new ATOM 0 HB ILE A 43 2.451 -9.678 -2.432 1.00 0.00 H new ATOM 0 HG12 ILE A 43 1.870 -11.947 -0.944 1.00 0.00 H new ATOM 0 HG13 ILE A 43 3.222 -12.478 -1.924 1.00 0.00 H new ATOM 0 HG21 ILE A 43 0.226 -10.608 -1.918 1.00 0.00 H new ATOM 0 HG22 ILE A 43 0.391 -10.210 -3.645 1.00 0.00 H new ATOM 0 HG23 ILE A 43 0.497 -11.903 -3.108 1.00 0.00 H new ATOM 0 HD11 ILE A 43 3.992 -11.564 0.208 1.00 0.00 H new ATOM 0 HD12 ILE A 43 4.560 -10.556 -1.145 1.00 0.00 H new ATOM 0 HD13 ILE A 43 3.187 -10.017 -0.149 1.00 0.00 H new ATOM 633 N PRO A 44 1.616 -10.617 -5.962 1.00 0.00 N ATOM 634 CA PRO A 44 1.104 -9.816 -7.080 1.00 0.00 C ATOM 635 C PRO A 44 0.192 -8.683 -6.614 1.00 0.00 C ATOM 636 O PRO A 44 -0.214 -8.639 -5.455 1.00 0.00 O ATOM 637 CB PRO A 44 0.318 -10.830 -7.913 1.00 0.00 C ATOM 638 CG PRO A 44 -0.086 -11.887 -6.943 1.00 0.00 C ATOM 639 CD PRO A 44 1.022 -11.964 -5.928 1.00 0.00 C ATOM 0 HA PRO A 44 1.906 -9.324 -7.630 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -0.552 -10.369 -8.380 1.00 0.00 H new ATOM 0 HB3 PRO A 44 0.930 -11.242 -8.715 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -1.034 -11.638 -6.467 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -0.223 -12.845 -7.445 1.00 0.00 H new ATOM 0 HD2 PRO A 44 0.641 -12.210 -4.937 1.00 0.00 H new ATOM 0 HD3 PRO A 44 1.752 -12.731 -6.188 1.00 0.00 H new ATOM 647 N PRO A 45 -0.140 -7.749 -7.521 1.00 0.00 N ATOM 648 CA PRO A 45 -1.005 -6.608 -7.200 1.00 0.00 C ATOM 649 C PRO A 45 -2.443 -7.025 -6.904 1.00 0.00 C ATOM 650 O PRO A 45 -3.197 -6.279 -6.279 1.00 0.00 O ATOM 651 CB PRO A 45 -0.950 -5.747 -8.465 1.00 0.00 C ATOM 652 CG PRO A 45 -0.590 -6.696 -9.555 1.00 0.00 C ATOM 653 CD PRO A 45 0.304 -7.727 -8.927 1.00 0.00 C ATOM 0 HA PRO A 45 -0.670 -6.092 -6.300 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -1.909 -5.267 -8.659 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -0.209 -4.953 -8.371 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -1.481 -7.159 -9.980 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -0.080 -6.180 -10.369 1.00 0.00 H new ATOM 0 HD2 PRO A 45 0.189 -8.702 -9.401 1.00 0.00 H new ATOM 0 HD3 PRO A 45 1.356 -7.454 -9.013 1.00 0.00 H new ATOM 661 N TYR A 46 -2.823 -8.216 -7.358 1.00 0.00 N ATOM 662 CA TYR A 46 -4.177 -8.716 -7.137 1.00 0.00 C ATOM 663 C TYR A 46 -4.248 -9.614 -5.901 1.00 0.00 C ATOM 664 O TYR A 46 -5.248 -10.298 -5.681 1.00 0.00 O ATOM 665 CB TYR A 46 -4.670 -9.479 -8.369 1.00 0.00 C ATOM 666 CG TYR A 46 -3.906 -10.752 -8.648 1.00 0.00 C ATOM 667 CD1 TYR A 46 -2.749 -10.737 -9.417 1.00 0.00 C ATOM 668 CD2 TYR A 46 -4.341 -11.971 -8.144 1.00 0.00 C ATOM 669 CE1 TYR A 46 -2.048 -11.899 -9.677 1.00 0.00 C ATOM 670 CE2 TYR A 46 -3.645 -13.138 -8.398 1.00 0.00 C ATOM 671 CZ TYR A 46 -2.500 -13.096 -9.165 1.00 0.00 C ATOM 672 OH TYR A 46 -1.805 -14.256 -9.420 1.00 0.00 O ATOM 0 H TYR A 46 -2.217 -8.850 -7.878 1.00 0.00 H new ATOM 0 HA TYR A 46 -4.824 -7.856 -6.966 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -5.724 -9.722 -8.236 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -4.600 -8.827 -9.240 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -2.391 -9.801 -9.819 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -5.238 -12.008 -7.544 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -1.151 -11.869 -10.278 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -3.996 -14.078 -7.998 1.00 0.00 H new ATOM 0 HH TYR A 46 -2.256 -15.010 -8.986 1.00 0.00 H new ATOM 682 N LEU A 47 -3.188 -9.606 -5.095 1.00 0.00 N ATOM 683 CA LEU A 47 -3.147 -10.420 -3.883 1.00 0.00 C ATOM 684 C LEU A 47 -2.560 -9.642 -2.706 1.00 0.00 C ATOM 685 O LEU A 47 -2.334 -10.205 -1.636 1.00 0.00 O ATOM 686 CB LEU A 47 -2.323 -11.686 -4.120 1.00 0.00 C ATOM 687 CG LEU A 47 -2.977 -12.725 -5.032 1.00 0.00 C ATOM 688 CD1 LEU A 47 -2.092 -13.953 -5.164 1.00 0.00 C ATOM 689 CD2 LEU A 47 -4.349 -13.109 -4.499 1.00 0.00 C ATOM 0 H LEU A 47 -2.350 -9.048 -5.258 1.00 0.00 H new ATOM 0 HA LEU A 47 -4.173 -10.693 -3.637 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -1.363 -11.401 -4.550 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -2.115 -12.151 -3.156 1.00 0.00 H new ATOM 0 HG LEU A 47 -3.102 -12.286 -6.022 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -2.574 -14.681 -5.817 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -1.131 -13.665 -5.590 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -1.935 -14.396 -4.180 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -4.802 -13.849 -5.159 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -4.246 -13.529 -3.499 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -4.984 -12.224 -4.457 1.00 0.00 H new ATOM 701 N GLN A 48 -2.307 -8.350 -2.904 1.00 0.00 N ATOM 702 CA GLN A 48 -1.741 -7.518 -1.850 1.00 0.00 C ATOM 703 C GLN A 48 -2.768 -6.526 -1.314 1.00 0.00 C ATOM 704 O GLN A 48 -3.167 -5.592 -2.010 1.00 0.00 O ATOM 705 CB GLN A 48 -0.514 -6.768 -2.370 1.00 0.00 C ATOM 706 CG GLN A 48 0.668 -7.676 -2.668 1.00 0.00 C ATOM 707 CD GLN A 48 1.816 -6.945 -3.337 1.00 0.00 C ATOM 708 OE1 GLN A 48 2.969 -7.067 -2.923 1.00 0.00 O ATOM 709 NE2 GLN A 48 1.508 -6.184 -4.381 1.00 0.00 N ATOM 0 H GLN A 48 -2.485 -7.860 -3.781 1.00 0.00 H new ATOM 0 HA GLN A 48 -1.443 -8.173 -1.032 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -0.785 -6.228 -3.277 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -0.214 -6.023 -1.633 1.00 0.00 H new ATOM 0 HG2 GLN A 48 1.020 -8.123 -1.738 1.00 0.00 H new ATOM 0 HG3 GLN A 48 0.340 -8.493 -3.310 1.00 0.00 H new ATOM 0 HE21 GLN A 48 0.539 -6.111 -4.691 1.00 0.00 H new ATOM 0 HE22 GLN A 48 2.241 -5.672 -4.873 1.00 0.00 H new ATOM 718 N CYS A 49 -3.178 -6.726 -0.067 1.00 0.00 N ATOM 719 CA CYS A 49 -4.143 -5.838 0.571 1.00 0.00 C ATOM 720 C CYS A 49 -3.426 -4.912 1.548 1.00 0.00 C ATOM 721 O CYS A 49 -3.003 -5.338 2.622 1.00 0.00 O ATOM 722 CB CYS A 49 -5.219 -6.652 1.296 1.00 0.00 C ATOM 723 SG CYS A 49 -6.389 -5.655 2.249 1.00 0.00 S ATOM 0 H CYS A 49 -2.858 -7.495 0.522 1.00 0.00 H new ATOM 0 HA CYS A 49 -4.629 -5.234 -0.195 1.00 0.00 H new ATOM 0 HB2 CYS A 49 -5.772 -7.237 0.561 1.00 0.00 H new ATOM 0 HB3 CYS A 49 -4.732 -7.360 1.967 1.00 0.00 H new ATOM 0 HG CYS A 49 -7.258 -6.434 2.821 1.00 0.00 H new ATOM 729 N ILE A 50 -3.274 -3.650 1.155 1.00 0.00 N ATOM 730 CA ILE A 50 -2.584 -2.663 1.981 1.00 0.00 C ATOM 731 C ILE A 50 -3.455 -2.171 3.132 1.00 0.00 C ATOM 732 O ILE A 50 -4.682 -2.130 3.029 1.00 0.00 O ATOM 733 CB ILE A 50 -2.134 -1.452 1.140 1.00 0.00 C ATOM 734 CG1 ILE A 50 -1.364 -1.920 -0.098 1.00 0.00 C ATOM 735 CG2 ILE A 50 -1.279 -0.512 1.979 1.00 0.00 C ATOM 736 CD1 ILE A 50 -1.834 -1.274 -1.382 1.00 0.00 C ATOM 0 H ILE A 50 -3.620 -3.286 0.267 1.00 0.00 H new ATOM 0 HA ILE A 50 -1.710 -3.166 2.395 1.00 0.00 H new ATOM 0 HB ILE A 50 -3.019 -0.909 0.810 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -0.304 -1.705 0.041 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -1.461 -3.002 -0.189 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -0.969 0.338 1.371 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -1.858 -0.157 2.831 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -0.397 -1.044 2.336 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -1.244 -1.652 -2.217 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -2.886 -1.510 -1.544 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -1.711 -0.193 -1.312 1.00 0.00 H new ATOM 748 N ARG A 51 -2.801 -1.797 4.227 1.00 0.00 N ATOM 749 CA ARG A 51 -3.490 -1.302 5.411 1.00 0.00 C ATOM 750 C ARG A 51 -2.645 -0.250 6.122 1.00 0.00 C ATOM 751 O ARG A 51 -1.439 -0.421 6.291 1.00 0.00 O ATOM 752 CB ARG A 51 -3.795 -2.462 6.358 1.00 0.00 C ATOM 753 CG ARG A 51 -4.373 -3.675 5.649 1.00 0.00 C ATOM 754 CD ARG A 51 -5.045 -4.627 6.621 1.00 0.00 C ATOM 755 NE ARG A 51 -4.276 -5.858 6.802 1.00 0.00 N ATOM 756 CZ ARG A 51 -4.809 -7.021 7.170 1.00 0.00 C ATOM 757 NH1 ARG A 51 -6.111 -7.119 7.408 1.00 0.00 N ATOM 758 NH2 ARG A 51 -4.036 -8.090 7.304 1.00 0.00 N ATOM 0 H ARG A 51 -1.786 -1.828 4.318 1.00 0.00 H new ATOM 0 HA ARG A 51 -4.427 -0.839 5.102 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -2.880 -2.752 6.874 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -4.497 -2.125 7.120 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -5.096 -3.349 4.901 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -3.578 -4.199 5.118 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -5.170 -4.133 7.584 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -6.042 -4.873 6.257 1.00 0.00 H new ATOM 0 HE ARG A 51 -3.270 -5.823 6.636 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -6.711 -6.300 7.309 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -6.512 -8.014 7.690 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -3.034 -8.021 7.125 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -4.443 -8.982 7.586 1.00 0.00 H new ATOM 772 N TYR A 52 -3.284 0.841 6.529 1.00 0.00 N ATOM 773 CA TYR A 52 -2.583 1.923 7.213 1.00 0.00 C ATOM 774 C TYR A 52 -3.356 2.393 8.442 1.00 0.00 C ATOM 775 O TYR A 52 -4.576 2.248 8.516 1.00 0.00 O ATOM 776 CB TYR A 52 -2.364 3.095 6.255 1.00 0.00 C ATOM 777 CG TYR A 52 -3.646 3.764 5.812 1.00 0.00 C ATOM 778 CD1 TYR A 52 -4.552 3.099 4.995 1.00 0.00 C ATOM 779 CD2 TYR A 52 -3.949 5.060 6.210 1.00 0.00 C ATOM 780 CE1 TYR A 52 -5.725 3.707 4.589 1.00 0.00 C ATOM 781 CE2 TYR A 52 -5.121 5.675 5.807 1.00 0.00 C ATOM 782 CZ TYR A 52 -6.004 4.994 4.997 1.00 0.00 C ATOM 783 OH TYR A 52 -7.170 5.602 4.593 1.00 0.00 O ATOM 0 H TYR A 52 -4.283 1.000 6.398 1.00 0.00 H new ATOM 0 HA TYR A 52 -1.617 1.542 7.545 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -1.727 3.835 6.739 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -1.827 2.739 5.376 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -4.336 2.091 4.672 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -3.259 5.596 6.844 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -6.420 3.176 3.955 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -5.343 6.683 6.125 1.00 0.00 H new ATOM 0 HH TYR A 52 -7.215 6.506 4.968 1.00 0.00 H new ATOM 793 N GLY A 53 -2.635 2.965 9.402 1.00 0.00 N ATOM 794 CA GLY A 53 -3.264 3.459 10.612 1.00 0.00 C ATOM 795 C GLY A 53 -3.662 2.347 11.563 1.00 0.00 C ATOM 796 O GLY A 53 -3.651 1.172 11.197 1.00 0.00 O ATOM 0 H GLY A 53 -1.624 3.095 9.362 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -2.580 4.138 11.120 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -4.149 4.038 10.346 1.00 0.00 H new ATOM 800 N PHE A 54 -4.017 2.724 12.788 1.00 0.00 N ATOM 801 CA PHE A 54 -4.425 1.759 13.802 1.00 0.00 C ATOM 802 C PHE A 54 -5.818 2.102 14.340 1.00 0.00 C ATOM 803 O PHE A 54 -6.018 3.182 14.895 1.00 0.00 O ATOM 804 CB PHE A 54 -3.411 1.737 14.949 1.00 0.00 C ATOM 805 CG PHE A 54 -2.819 0.378 15.199 1.00 0.00 C ATOM 806 CD1 PHE A 54 -3.617 -0.670 15.628 1.00 0.00 C ATOM 807 CD2 PHE A 54 -1.467 0.150 15.003 1.00 0.00 C ATOM 808 CE1 PHE A 54 -3.077 -1.921 15.858 1.00 0.00 C ATOM 809 CE2 PHE A 54 -0.920 -1.097 15.232 1.00 0.00 C ATOM 810 CZ PHE A 54 -1.726 -2.135 15.660 1.00 0.00 C ATOM 0 H PHE A 54 -4.030 3.694 13.102 1.00 0.00 H new ATOM 0 HA PHE A 54 -4.462 0.771 13.343 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -2.608 2.439 14.727 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -3.897 2.086 15.860 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -4.673 -0.507 15.784 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -0.833 0.957 14.667 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -3.710 -2.730 16.192 1.00 0.00 H new ATOM 0 HE2 PHE A 54 0.136 -1.261 15.077 1.00 0.00 H new ATOM 0 HZ PHE A 54 -1.301 -3.111 15.839 1.00 0.00 H new ATOM 820 N PRO A 55 -6.806 1.196 14.185 1.00 0.00 N ATOM 821 CA PRO A 55 -6.626 -0.109 13.531 1.00 0.00 C ATOM 822 C PRO A 55 -6.283 0.022 12.048 1.00 0.00 C ATOM 823 O PRO A 55 -6.508 1.068 11.439 1.00 0.00 O ATOM 824 CB PRO A 55 -7.987 -0.800 13.702 1.00 0.00 C ATOM 825 CG PRO A 55 -8.689 -0.027 14.766 1.00 0.00 C ATOM 826 CD PRO A 55 -8.187 1.381 14.647 1.00 0.00 C ATOM 0 HA PRO A 55 -5.796 -0.663 13.970 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -8.553 -0.790 12.770 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -7.865 -1.844 13.990 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -9.770 -0.069 14.632 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -8.474 -0.437 15.753 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -8.776 1.962 13.938 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -8.227 1.907 15.601 1.00 0.00 H new ATOM 834 N PRO A 56 -5.725 -1.045 11.451 1.00 0.00 N ATOM 835 CA PRO A 56 -5.344 -1.054 10.039 1.00 0.00 C ATOM 836 C PRO A 56 -6.551 -1.091 9.112 1.00 0.00 C ATOM 837 O PRO A 56 -7.457 -1.907 9.280 1.00 0.00 O ATOM 838 CB PRO A 56 -4.524 -2.337 9.899 1.00 0.00 C ATOM 839 CG PRO A 56 -5.036 -3.229 10.972 1.00 0.00 C ATOM 840 CD PRO A 56 -5.423 -2.326 12.110 1.00 0.00 C ATOM 0 HA PRO A 56 -4.800 -0.152 9.760 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -4.655 -2.786 8.914 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -3.459 -2.142 10.021 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -5.892 -3.807 10.624 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -4.274 -3.944 11.282 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -6.287 -2.712 12.651 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -4.614 -2.224 12.833 1.00 0.00 H new ATOM 848 N LYS A 57 -6.546 -0.201 8.134 1.00 0.00 N ATOM 849 CA LYS A 57 -7.631 -0.116 7.163 1.00 0.00 C ATOM 850 C LYS A 57 -7.365 -1.036 5.976 1.00 0.00 C ATOM 851 O LYS A 57 -6.318 -1.673 5.898 1.00 0.00 O ATOM 852 CB LYS A 57 -7.799 1.325 6.677 1.00 0.00 C ATOM 853 CG LYS A 57 -8.133 2.309 7.787 1.00 0.00 C ATOM 854 CD LYS A 57 -9.385 1.892 8.544 1.00 0.00 C ATOM 855 CE LYS A 57 -10.305 3.075 8.794 1.00 0.00 C ATOM 856 NZ LYS A 57 -9.938 3.812 10.036 1.00 0.00 N ATOM 0 H LYS A 57 -5.799 0.478 7.989 1.00 0.00 H new ATOM 0 HA LYS A 57 -8.551 -0.435 7.653 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -6.879 1.643 6.186 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -8.588 1.356 5.926 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -7.294 2.377 8.479 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -8.277 3.303 7.363 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -9.918 1.129 7.976 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -9.103 1.442 9.496 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -10.262 3.754 7.943 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -11.334 2.725 8.871 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -10.589 4.611 10.171 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -10.003 3.171 10.852 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -8.965 4.169 9.953 1.00 0.00 H new ATOM 870 N GLU A 58 -8.321 -1.106 5.058 1.00 0.00 N ATOM 871 CA GLU A 58 -8.182 -1.954 3.880 1.00 0.00 C ATOM 872 C GLU A 58 -7.681 -1.161 2.675 1.00 0.00 C ATOM 873 O GLU A 58 -7.220 -1.740 1.691 1.00 0.00 O ATOM 874 CB GLU A 58 -9.520 -2.616 3.545 1.00 0.00 C ATOM 875 CG GLU A 58 -9.457 -3.537 2.338 1.00 0.00 C ATOM 876 CD GLU A 58 -10.611 -4.520 2.292 1.00 0.00 C ATOM 877 OE1 GLU A 58 -11.150 -4.852 3.369 1.00 0.00 O ATOM 878 OE2 GLU A 58 -10.976 -4.955 1.180 1.00 0.00 O ATOM 0 H GLU A 58 -9.198 -0.588 5.106 1.00 0.00 H new ATOM 0 HA GLU A 58 -7.444 -2.722 4.110 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -9.860 -3.186 4.409 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -10.264 -1.841 3.362 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -9.459 -2.937 1.428 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -8.516 -4.088 2.355 1.00 0.00 H new ATOM 885 N LEU A 59 -7.780 0.165 2.749 1.00 0.00 N ATOM 886 CA LEU A 59 -7.340 1.027 1.655 1.00 0.00 C ATOM 887 C LEU A 59 -7.912 0.545 0.326 1.00 0.00 C ATOM 888 O LEU A 59 -7.285 -0.242 -0.384 1.00 0.00 O ATOM 889 CB LEU A 59 -5.811 1.066 1.588 1.00 0.00 C ATOM 890 CG LEU A 59 -5.215 2.094 0.616 1.00 0.00 C ATOM 891 CD1 LEU A 59 -6.072 3.351 0.556 1.00 0.00 C ATOM 892 CD2 LEU A 59 -3.792 2.440 1.026 1.00 0.00 C ATOM 0 H LEU A 59 -8.160 0.664 3.553 1.00 0.00 H new ATOM 0 HA LEU A 59 -7.709 2.035 1.845 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -5.427 1.272 2.587 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -5.452 0.076 1.306 1.00 0.00 H new ATOM 0 HG LEU A 59 -5.197 1.652 -0.380 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -5.627 4.062 -0.140 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -7.075 3.092 0.217 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -6.129 3.800 1.547 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -3.380 3.170 0.329 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -3.795 2.860 2.032 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -3.180 1.538 1.011 1.00 0.00 H new ATOM 904 N MET A 60 -9.112 1.013 0.005 1.00 0.00 N ATOM 905 CA MET A 60 -9.781 0.622 -1.229 1.00 0.00 C ATOM 906 C MET A 60 -9.241 1.392 -2.429 1.00 0.00 C ATOM 907 O MET A 60 -8.750 2.513 -2.293 1.00 0.00 O ATOM 908 CB MET A 60 -11.287 0.844 -1.102 1.00 0.00 C ATOM 909 CG MET A 60 -11.876 0.240 0.159 1.00 0.00 C ATOM 910 SD MET A 60 -13.647 0.547 0.316 1.00 0.00 S ATOM 911 CE MET A 60 -14.309 -0.727 -0.753 1.00 0.00 C ATOM 0 H MET A 60 -9.642 1.665 0.583 1.00 0.00 H new ATOM 0 HA MET A 60 -9.582 -0.437 -1.394 1.00 0.00 H new ATOM 0 HB2 MET A 60 -11.492 1.914 -1.115 1.00 0.00 H new ATOM 0 HB3 MET A 60 -11.786 0.414 -1.970 1.00 0.00 H new ATOM 0 HG2 MET A 60 -11.696 -0.835 0.160 1.00 0.00 H new ATOM 0 HG3 MET A 60 -11.362 0.650 1.028 1.00 0.00 H new ATOM 0 HE1 MET A 60 -15.397 -0.666 -0.761 1.00 0.00 H new ATOM 0 HE2 MET A 60 -13.931 -0.585 -1.765 1.00 0.00 H new ATOM 0 HE3 MET A 60 -14.003 -1.706 -0.385 1.00 0.00 H new ATOM 921 N PRO A 61 -9.334 0.792 -3.626 1.00 0.00 N ATOM 922 CA PRO A 61 -8.862 1.414 -4.868 1.00 0.00 C ATOM 923 C PRO A 61 -9.659 2.662 -5.228 1.00 0.00 C ATOM 924 O PRO A 61 -10.841 2.772 -4.903 1.00 0.00 O ATOM 925 CB PRO A 61 -9.075 0.322 -5.921 1.00 0.00 C ATOM 926 CG PRO A 61 -10.130 -0.560 -5.347 1.00 0.00 C ATOM 927 CD PRO A 61 -9.912 -0.543 -3.864 1.00 0.00 C ATOM 0 HA PRO A 61 -7.828 1.748 -4.787 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -9.390 0.747 -6.874 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -8.155 -0.232 -6.108 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -11.125 -0.195 -5.600 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -10.051 -1.573 -5.743 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -10.845 -0.681 -3.318 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -9.236 -1.337 -3.547 1.00 0.00 H new ATOM 935 N PRO A 62 -9.014 3.623 -5.908 1.00 0.00 N ATOM 936 CA PRO A 62 -9.663 4.872 -6.317 1.00 0.00 C ATOM 937 C PRO A 62 -10.807 4.637 -7.297 1.00 0.00 C ATOM 938 O PRO A 62 -11.206 3.498 -7.540 1.00 0.00 O ATOM 939 CB PRO A 62 -8.536 5.660 -6.994 1.00 0.00 C ATOM 940 CG PRO A 62 -7.526 4.637 -7.381 1.00 0.00 C ATOM 941 CD PRO A 62 -7.605 3.567 -6.334 1.00 0.00 C ATOM 0 HA PRO A 62 -10.113 5.390 -5.470 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -8.902 6.202 -7.866 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -8.109 6.399 -6.316 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -7.739 4.232 -8.370 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -6.527 5.070 -7.422 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -7.344 2.588 -6.737 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -6.925 3.763 -5.505 1.00 0.00 H new ATOM 949 N GLN A 63 -11.330 5.723 -7.853 1.00 0.00 N ATOM 950 CA GLN A 63 -12.430 5.641 -8.808 1.00 0.00 C ATOM 951 C GLN A 63 -12.340 6.768 -9.832 1.00 0.00 C ATOM 952 O GLN A 63 -11.355 7.506 -9.873 1.00 0.00 O ATOM 953 CB GLN A 63 -13.771 5.704 -8.075 1.00 0.00 C ATOM 954 CG GLN A 63 -13.990 7.002 -7.317 1.00 0.00 C ATOM 955 CD GLN A 63 -15.212 6.954 -6.420 1.00 0.00 C ATOM 956 OE1 GLN A 63 -16.088 7.816 -6.499 1.00 0.00 O ATOM 957 NE2 GLN A 63 -15.276 5.944 -5.560 1.00 0.00 N ATOM 0 H GLN A 63 -11.010 6.672 -7.659 1.00 0.00 H new ATOM 0 HA GLN A 63 -12.357 4.689 -9.334 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -14.577 5.575 -8.798 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -13.833 4.870 -7.376 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -13.109 7.219 -6.713 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -14.098 7.820 -8.029 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -14.527 5.252 -5.529 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -16.074 5.860 -4.930 1.00 0.00 H new ATOM 966 N ALA A 64 -13.372 6.897 -10.660 1.00 0.00 N ATOM 967 CA ALA A 64 -13.408 7.935 -11.685 1.00 0.00 C ATOM 968 C ALA A 64 -13.165 9.316 -11.082 1.00 0.00 C ATOM 969 O ALA A 64 -14.090 9.961 -10.591 1.00 0.00 O ATOM 970 CB ALA A 64 -14.740 7.906 -12.419 1.00 0.00 C ATOM 0 H ALA A 64 -14.195 6.295 -10.641 1.00 0.00 H new ATOM 0 HA ALA A 64 -12.607 7.733 -12.397 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -14.753 8.686 -13.181 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -14.873 6.933 -12.893 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -15.550 8.078 -11.710 1.00 0.00 H new ATOM 976 N GLY A 65 -11.913 9.760 -11.123 1.00 0.00 N ATOM 977 CA GLY A 65 -11.568 11.060 -10.577 1.00 0.00 C ATOM 978 C GLY A 65 -10.477 10.977 -9.527 1.00 0.00 C ATOM 979 O GLY A 65 -9.723 11.930 -9.330 1.00 0.00 O ATOM 0 H GLY A 65 -11.131 9.243 -11.525 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -11.241 11.715 -11.385 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -12.457 11.514 -10.138 1.00 0.00 H new ATOM 983 N MET A 66 -10.393 9.834 -8.854 1.00 0.00 N ATOM 984 CA MET A 66 -9.385 9.629 -7.819 1.00 0.00 C ATOM 985 C MET A 66 -8.292 8.671 -8.290 1.00 0.00 C ATOM 986 O MET A 66 -7.254 8.535 -7.642 1.00 0.00 O ATOM 987 CB MET A 66 -10.037 9.088 -6.545 1.00 0.00 C ATOM 988 CG MET A 66 -10.593 10.174 -5.638 1.00 0.00 C ATOM 989 SD MET A 66 -9.476 10.585 -4.283 1.00 0.00 S ATOM 990 CE MET A 66 -10.499 11.704 -3.330 1.00 0.00 C ATOM 0 H MET A 66 -11.010 9.036 -9.006 1.00 0.00 H new ATOM 0 HA MET A 66 -8.924 10.594 -7.607 1.00 0.00 H new ATOM 0 HB2 MET A 66 -10.843 8.408 -6.820 1.00 0.00 H new ATOM 0 HB3 MET A 66 -9.302 8.504 -5.991 1.00 0.00 H new ATOM 0 HG2 MET A 66 -10.788 11.070 -6.227 1.00 0.00 H new ATOM 0 HG3 MET A 66 -11.549 9.847 -5.229 1.00 0.00 H new ATOM 0 HE1 MET A 66 -9.946 12.047 -2.455 1.00 0.00 H new ATOM 0 HE2 MET A 66 -10.772 12.561 -3.946 1.00 0.00 H new ATOM 0 HE3 MET A 66 -11.403 11.186 -3.008 1.00 0.00 H new ATOM 1000 N GLU A 67 -8.527 8.007 -9.422 1.00 0.00 N ATOM 1001 CA GLU A 67 -7.556 7.065 -9.971 1.00 0.00 C ATOM 1002 C GLU A 67 -6.193 7.725 -10.152 1.00 0.00 C ATOM 1003 O GLU A 67 -5.156 7.071 -10.045 1.00 0.00 O ATOM 1004 CB GLU A 67 -8.052 6.516 -11.310 1.00 0.00 C ATOM 1005 CG GLU A 67 -8.354 7.595 -12.337 1.00 0.00 C ATOM 1006 CD GLU A 67 -9.329 7.131 -13.400 1.00 0.00 C ATOM 1007 OE1 GLU A 67 -10.552 7.230 -13.168 1.00 0.00 O ATOM 1008 OE2 GLU A 67 -8.869 6.669 -14.466 1.00 0.00 O ATOM 0 H GLU A 67 -9.379 8.105 -9.974 1.00 0.00 H new ATOM 0 HA GLU A 67 -7.447 6.242 -9.264 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -7.300 5.840 -11.717 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -8.953 5.926 -11.140 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -8.763 8.469 -11.831 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -7.425 7.908 -12.813 1.00 0.00 H new ATOM 1015 N LYS A 68 -6.203 9.026 -10.425 1.00 0.00 N ATOM 1016 CA LYS A 68 -4.967 9.777 -10.619 1.00 0.00 C ATOM 1017 C LYS A 68 -4.395 10.252 -9.285 1.00 0.00 C ATOM 1018 O LYS A 68 -3.222 10.615 -9.198 1.00 0.00 O ATOM 1019 CB LYS A 68 -5.216 10.977 -11.534 1.00 0.00 C ATOM 1020 CG LYS A 68 -5.761 10.596 -12.902 1.00 0.00 C ATOM 1021 CD LYS A 68 -6.871 11.538 -13.341 1.00 0.00 C ATOM 1022 CE LYS A 68 -8.189 11.206 -12.659 1.00 0.00 C ATOM 1023 NZ LYS A 68 -9.259 10.884 -13.644 1.00 0.00 N ATOM 0 H LYS A 68 -7.053 9.582 -10.517 1.00 0.00 H new ATOM 0 HA LYS A 68 -4.240 9.112 -11.086 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -5.918 11.654 -11.048 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -4.282 11.525 -11.664 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -4.954 10.616 -13.635 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -6.140 9.574 -12.872 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -6.590 12.565 -13.110 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -6.995 11.477 -14.422 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -8.047 10.359 -11.988 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -8.503 12.050 -12.045 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -10.141 10.664 -13.139 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -9.413 11.701 -14.269 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -8.971 10.062 -14.213 1.00 0.00 H new ATOM 1037 N GLU A 69 -5.229 10.248 -8.247 1.00 0.00 N ATOM 1038 CA GLU A 69 -4.800 10.679 -6.923 1.00 0.00 C ATOM 1039 C GLU A 69 -3.857 9.653 -6.295 1.00 0.00 C ATOM 1040 O GLU A 69 -4.071 8.448 -6.420 1.00 0.00 O ATOM 1041 CB GLU A 69 -6.013 10.895 -6.016 1.00 0.00 C ATOM 1042 CG GLU A 69 -6.943 11.996 -6.499 1.00 0.00 C ATOM 1043 CD GLU A 69 -6.533 13.367 -6.000 1.00 0.00 C ATOM 1044 OE1 GLU A 69 -5.878 13.441 -4.938 1.00 0.00 O ATOM 1045 OE2 GLU A 69 -6.866 14.367 -6.669 1.00 0.00 O ATOM 0 H GLU A 69 -6.203 9.951 -8.299 1.00 0.00 H new ATOM 0 HA GLU A 69 -4.263 11.621 -7.031 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -6.573 9.963 -5.944 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -5.667 11.137 -5.011 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -6.959 12.000 -7.589 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -7.958 11.781 -6.166 1.00 0.00 H new ATOM 1052 N PRO A 70 -2.798 10.119 -5.611 1.00 0.00 N ATOM 1053 CA PRO A 70 -1.825 9.231 -4.967 1.00 0.00 C ATOM 1054 C PRO A 70 -2.381 8.563 -3.715 1.00 0.00 C ATOM 1055 O PRO A 70 -3.451 8.925 -3.225 1.00 0.00 O ATOM 1056 CB PRO A 70 -0.675 10.171 -4.606 1.00 0.00 C ATOM 1057 CG PRO A 70 -1.319 11.502 -4.435 1.00 0.00 C ATOM 1058 CD PRO A 70 -2.463 11.542 -5.411 1.00 0.00 C ATOM 0 HA PRO A 70 -1.534 8.407 -5.618 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -0.174 9.852 -3.692 1.00 0.00 H new ATOM 0 HB3 PRO A 70 0.080 10.194 -5.392 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -1.674 11.634 -3.413 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -0.610 12.306 -4.633 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -3.310 12.101 -5.013 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -2.175 12.022 -6.347 1.00 0.00 H new ATOM 1066 N VAL A 71 -1.644 7.582 -3.205 1.00 0.00 N ATOM 1067 CA VAL A 71 -2.053 6.852 -2.011 1.00 0.00 C ATOM 1068 C VAL A 71 -2.106 7.768 -0.790 1.00 0.00 C ATOM 1069 O VAL A 71 -1.533 8.858 -0.795 1.00 0.00 O ATOM 1070 CB VAL A 71 -1.096 5.680 -1.720 1.00 0.00 C ATOM 1071 CG1 VAL A 71 -1.380 4.513 -2.654 1.00 0.00 C ATOM 1072 CG2 VAL A 71 0.353 6.128 -1.836 1.00 0.00 C ATOM 0 H VAL A 71 -0.757 7.273 -3.602 1.00 0.00 H new ATOM 0 HA VAL A 71 -3.051 6.461 -2.206 1.00 0.00 H new ATOM 0 HB VAL A 71 -1.265 5.345 -0.697 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -0.694 3.695 -2.433 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -2.406 4.175 -2.512 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -1.243 4.832 -3.687 1.00 0.00 H new ATOM 0 HG21 VAL A 71 1.012 5.286 -1.627 1.00 0.00 H new ATOM 0 HG22 VAL A 71 0.541 6.494 -2.845 1.00 0.00 H new ATOM 0 HG23 VAL A 71 0.546 6.926 -1.119 1.00 0.00 H new ATOM 1082 N PRO A 72 -2.798 7.333 0.280 1.00 0.00 N ATOM 1083 CA PRO A 72 -2.926 8.115 1.518 1.00 0.00 C ATOM 1084 C PRO A 72 -1.647 8.119 2.353 1.00 0.00 C ATOM 1085 O PRO A 72 -1.611 8.688 3.444 1.00 0.00 O ATOM 1086 CB PRO A 72 -4.033 7.381 2.272 1.00 0.00 C ATOM 1087 CG PRO A 72 -3.910 5.969 1.818 1.00 0.00 C ATOM 1088 CD PRO A 72 -3.515 6.044 0.370 1.00 0.00 C ATOM 0 HA PRO A 72 -3.134 9.165 1.312 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -3.903 7.465 3.351 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -5.015 7.791 2.036 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -3.161 5.433 2.401 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -4.852 5.434 1.940 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -2.877 5.208 0.083 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -4.385 6.021 -0.286 1.00 0.00 H new ATOM 1096 N LEU A 73 -0.606 7.468 1.845 1.00 0.00 N ATOM 1097 CA LEU A 73 0.663 7.382 2.553 1.00 0.00 C ATOM 1098 C LEU A 73 1.688 8.346 1.963 1.00 0.00 C ATOM 1099 O LEU A 73 1.697 8.598 0.759 1.00 0.00 O ATOM 1100 CB LEU A 73 1.190 5.945 2.498 1.00 0.00 C ATOM 1101 CG LEU A 73 0.110 4.868 2.352 1.00 0.00 C ATOM 1102 CD1 LEU A 73 0.711 3.565 1.857 1.00 0.00 C ATOM 1103 CD2 LEU A 73 -0.619 4.660 3.671 1.00 0.00 C ATOM 0 H LEU A 73 -0.618 6.992 0.943 1.00 0.00 H new ATOM 0 HA LEU A 73 0.498 7.665 3.593 1.00 0.00 H new ATOM 0 HB2 LEU A 73 1.884 5.859 1.662 1.00 0.00 H new ATOM 0 HB3 LEU A 73 1.760 5.747 3.406 1.00 0.00 H new ATOM 0 HG LEU A 73 -0.614 5.208 1.611 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -0.074 2.815 1.761 1.00 0.00 H new ATOM 0 HD12 LEU A 73 1.179 3.726 0.886 1.00 0.00 H new ATOM 0 HD13 LEU A 73 1.460 3.217 2.568 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -1.382 3.892 3.548 1.00 0.00 H new ATOM 0 HD22 LEU A 73 0.093 4.345 4.434 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -1.091 5.594 3.977 1.00 0.00 H new ATOM 1115 N GLN A 74 2.545 8.889 2.823 1.00 0.00 N ATOM 1116 CA GLN A 74 3.570 9.832 2.391 1.00 0.00 C ATOM 1117 C GLN A 74 4.954 9.404 2.870 1.00 0.00 C ATOM 1118 O GLN A 74 5.105 8.376 3.531 1.00 0.00 O ATOM 1119 CB GLN A 74 3.251 11.234 2.911 1.00 0.00 C ATOM 1120 CG GLN A 74 2.017 11.852 2.276 1.00 0.00 C ATOM 1121 CD GLN A 74 0.736 11.451 2.980 1.00 0.00 C ATOM 1122 OE1 GLN A 74 0.619 11.574 4.200 1.00 0.00 O ATOM 1123 NE2 GLN A 74 -0.235 10.968 2.214 1.00 0.00 N ATOM 0 H GLN A 74 2.549 8.691 3.824 1.00 0.00 H new ATOM 0 HA GLN A 74 3.575 9.844 1.301 1.00 0.00 H new ATOM 0 HB2 GLN A 74 3.110 11.188 3.991 1.00 0.00 H new ATOM 0 HB3 GLN A 74 4.107 11.884 2.729 1.00 0.00 H new ATOM 0 HG2 GLN A 74 2.111 12.938 2.291 1.00 0.00 H new ATOM 0 HG3 GLN A 74 1.962 11.551 1.230 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -0.096 10.883 1.207 1.00 0.00 H new ATOM 0 HE22 GLN A 74 -1.120 10.682 2.632 1.00 0.00 H new ATOM 1132 N HIS A 75 5.960 10.202 2.529 1.00 0.00 N ATOM 1133 CA HIS A 75 7.337 9.916 2.918 1.00 0.00 C ATOM 1134 C HIS A 75 7.467 9.783 4.431 1.00 0.00 C ATOM 1135 O HIS A 75 7.376 10.768 5.161 1.00 0.00 O ATOM 1136 CB HIS A 75 8.269 11.017 2.409 1.00 0.00 C ATOM 1137 CG HIS A 75 9.708 10.603 2.338 1.00 0.00 C ATOM 1138 ND1 HIS A 75 10.252 9.624 3.143 1.00 0.00 N ATOM 1139 CD2 HIS A 75 10.716 11.041 1.548 1.00 0.00 C ATOM 1140 CE1 HIS A 75 11.533 9.480 2.852 1.00 0.00 C ATOM 1141 NE2 HIS A 75 11.839 10.327 1.888 1.00 0.00 N ATOM 0 H HIS A 75 5.847 11.055 1.982 1.00 0.00 H new ATOM 0 HA HIS A 75 7.623 8.966 2.467 1.00 0.00 H new ATOM 0 HB2 HIS A 75 7.941 11.329 1.418 1.00 0.00 H new ATOM 0 HB3 HIS A 75 8.182 11.885 3.062 1.00 0.00 H new ATOM 0 HD2 HIS A 75 10.650 11.809 0.791 1.00 0.00 H new ATOM 0 HE1 HIS A 75 12.214 8.787 3.323 1.00 0.00 H new ATOM 0 HE2 HIS A 75 12.760 10.434 1.464 1.00 0.00 H new ATOM 1150 N GLY A 76 7.685 8.556 4.893 1.00 0.00 N ATOM 1151 CA GLY A 76 7.830 8.315 6.317 1.00 0.00 C ATOM 1152 C GLY A 76 6.639 7.591 6.917 1.00 0.00 C ATOM 1153 O GLY A 76 6.538 7.464 8.138 1.00 0.00 O ATOM 0 H GLY A 76 7.764 7.725 4.307 1.00 0.00 H new ATOM 0 HA2 GLY A 76 8.731 7.728 6.491 1.00 0.00 H new ATOM 0 HA3 GLY A 76 7.966 9.267 6.830 1.00 0.00 H new ATOM 1157 N ASP A 77 5.735 7.113 6.066 1.00 0.00 N ATOM 1158 CA ASP A 77 4.554 6.402 6.537 1.00 0.00 C ATOM 1159 C ASP A 77 4.827 4.906 6.651 1.00 0.00 C ATOM 1160 O ASP A 77 5.916 4.435 6.321 1.00 0.00 O ATOM 1161 CB ASP A 77 3.378 6.649 5.590 1.00 0.00 C ATOM 1162 CG ASP A 77 2.416 7.693 6.121 1.00 0.00 C ATOM 1163 OD1 ASP A 77 2.809 8.876 6.203 1.00 0.00 O ATOM 1164 OD2 ASP A 77 1.269 7.328 6.456 1.00 0.00 O ATOM 0 H ASP A 77 5.798 7.205 5.052 1.00 0.00 H new ATOM 0 HA ASP A 77 4.302 6.780 7.528 1.00 0.00 H new ATOM 0 HB2 ASP A 77 3.758 6.969 4.620 1.00 0.00 H new ATOM 0 HB3 ASP A 77 2.842 5.714 5.429 1.00 0.00 H new ATOM 1169 N ARG A 78 3.828 4.164 7.116 1.00 0.00 N ATOM 1170 CA ARG A 78 3.948 2.719 7.272 1.00 0.00 C ATOM 1171 C ARG A 78 2.641 2.037 6.902 1.00 0.00 C ATOM 1172 O ARG A 78 1.561 2.583 7.125 1.00 0.00 O ATOM 1173 CB ARG A 78 4.340 2.364 8.708 1.00 0.00 C ATOM 1174 CG ARG A 78 3.482 3.048 9.759 1.00 0.00 C ATOM 1175 CD ARG A 78 4.303 3.986 10.629 1.00 0.00 C ATOM 1176 NE ARG A 78 3.582 4.387 11.834 1.00 0.00 N ATOM 1177 CZ ARG A 78 3.404 3.595 12.889 1.00 0.00 C ATOM 1178 NH1 ARG A 78 3.893 2.361 12.891 1.00 0.00 N ATOM 1179 NH2 ARG A 78 2.737 4.038 13.946 1.00 0.00 N ATOM 0 H ARG A 78 2.922 4.542 7.393 1.00 0.00 H new ATOM 0 HA ARG A 78 4.731 2.365 6.601 1.00 0.00 H new ATOM 0 HB2 ARG A 78 4.269 1.284 8.839 1.00 0.00 H new ATOM 0 HB3 ARG A 78 5.383 2.636 8.869 1.00 0.00 H new ATOM 0 HG2 ARG A 78 2.685 3.609 9.270 1.00 0.00 H new ATOM 0 HG3 ARG A 78 3.004 2.295 10.386 1.00 0.00 H new ATOM 0 HD2 ARG A 78 5.235 3.496 10.911 1.00 0.00 H new ATOM 0 HD3 ARG A 78 4.570 4.873 10.054 1.00 0.00 H new ATOM 0 HE ARG A 78 3.192 5.329 11.869 1.00 0.00 H new ATOM 0 HH11 ARG A 78 4.408 2.015 12.081 1.00 0.00 H new ATOM 0 HH12 ARG A 78 3.754 1.759 13.702 1.00 0.00 H new ATOM 0 HH21 ARG A 78 2.360 4.986 13.951 1.00 0.00 H new ATOM 0 HH22 ARG A 78 2.601 3.431 14.754 1.00 0.00 H new ATOM 1193 N ILE A 79 2.742 0.850 6.322 1.00 0.00 N ATOM 1194 CA ILE A 79 1.560 0.113 5.908 1.00 0.00 C ATOM 1195 C ILE A 79 1.710 -1.382 6.150 1.00 0.00 C ATOM 1196 O ILE A 79 2.798 -1.873 6.448 1.00 0.00 O ATOM 1197 CB ILE A 79 1.252 0.345 4.419 1.00 0.00 C ATOM 1198 CG1 ILE A 79 2.546 0.451 3.607 1.00 0.00 C ATOM 1199 CG2 ILE A 79 0.409 1.596 4.247 1.00 0.00 C ATOM 1200 CD1 ILE A 79 2.323 0.424 2.111 1.00 0.00 C ATOM 0 H ILE A 79 3.626 0.380 6.129 1.00 0.00 H new ATOM 0 HA ILE A 79 0.736 0.488 6.515 1.00 0.00 H new ATOM 0 HB ILE A 79 0.688 -0.510 4.045 1.00 0.00 H new ATOM 0 HG12 ILE A 79 3.058 1.376 3.873 1.00 0.00 H new ATOM 0 HG13 ILE A 79 3.207 -0.371 3.883 1.00 0.00 H new ATOM 0 HG21 ILE A 79 0.198 1.750 3.189 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -0.528 1.481 4.791 1.00 0.00 H new ATOM 0 HG23 ILE A 79 0.952 2.457 4.637 1.00 0.00 H new ATOM 0 HD11 ILE A 79 3.282 0.503 1.599 1.00 0.00 H new ATOM 0 HD12 ILE A 79 1.839 -0.512 1.832 1.00 0.00 H new ATOM 0 HD13 ILE A 79 1.688 1.261 1.823 1.00 0.00 H new ATOM 1212 N THR A 80 0.600 -2.098 6.007 1.00 0.00 N ATOM 1213 CA THR A 80 0.588 -3.539 6.196 1.00 0.00 C ATOM 1214 C THR A 80 -0.158 -4.217 5.054 1.00 0.00 C ATOM 1215 O THR A 80 -1.290 -3.853 4.735 1.00 0.00 O ATOM 1216 CB THR A 80 -0.068 -3.898 7.528 1.00 0.00 C ATOM 1217 OG1 THR A 80 0.572 -3.228 8.600 1.00 0.00 O ATOM 1218 CG2 THR A 80 -0.036 -5.382 7.828 1.00 0.00 C ATOM 0 H THR A 80 -0.306 -1.699 5.760 1.00 0.00 H new ATOM 0 HA THR A 80 1.619 -3.892 6.205 1.00 0.00 H new ATOM 0 HB THR A 80 -1.108 -3.585 7.433 1.00 0.00 H new ATOM 0 HG1 THR A 80 0.136 -3.470 9.444 1.00 0.00 H new ATOM 0 HG21 THR A 80 -0.518 -5.570 8.788 1.00 0.00 H new ATOM 0 HG22 THR A 80 -0.566 -5.923 7.044 1.00 0.00 H new ATOM 0 HG23 THR A 80 0.999 -5.723 7.869 1.00 0.00 H new ATOM 1226 N ILE A 81 0.484 -5.199 4.438 1.00 0.00 N ATOM 1227 CA ILE A 81 -0.117 -5.924 3.328 1.00 0.00 C ATOM 1228 C ILE A 81 -0.674 -7.267 3.780 1.00 0.00 C ATOM 1229 O ILE A 81 -0.226 -7.835 4.776 1.00 0.00 O ATOM 1230 CB ILE A 81 0.901 -6.158 2.197 1.00 0.00 C ATOM 1231 CG1 ILE A 81 1.596 -4.846 1.832 1.00 0.00 C ATOM 1232 CG2 ILE A 81 0.216 -6.760 0.981 1.00 0.00 C ATOM 1233 CD1 ILE A 81 0.637 -3.737 1.454 1.00 0.00 C ATOM 0 H ILE A 81 1.422 -5.512 4.688 1.00 0.00 H new ATOM 0 HA ILE A 81 -0.933 -5.306 2.954 1.00 0.00 H new ATOM 0 HB ILE A 81 1.656 -6.863 2.546 1.00 0.00 H new ATOM 0 HG12 ILE A 81 2.202 -4.519 2.677 1.00 0.00 H new ATOM 0 HG13 ILE A 81 2.278 -5.025 1.000 1.00 0.00 H new ATOM 0 HG21 ILE A 81 0.950 -6.919 0.191 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -0.236 -7.714 1.253 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -0.558 -6.080 0.625 1.00 0.00 H new ATOM 0 HD11 ILE A 81 1.200 -2.837 1.208 1.00 0.00 H new ATOM 0 HD12 ILE A 81 0.048 -4.044 0.590 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -0.029 -3.530 2.292 1.00 0.00 H new ATOM 1245 N GLU A 82 -1.651 -7.772 3.040 1.00 0.00 N ATOM 1246 CA GLU A 82 -2.263 -9.054 3.360 1.00 0.00 C ATOM 1247 C GLU A 82 -2.409 -9.906 2.103 1.00 0.00 C ATOM 1248 O GLU A 82 -3.127 -9.538 1.172 1.00 0.00 O ATOM 1249 CB GLU A 82 -3.627 -8.842 4.034 1.00 0.00 C ATOM 1250 CG GLU A 82 -4.600 -10.000 3.852 1.00 0.00 C ATOM 1251 CD GLU A 82 -5.899 -9.794 4.607 1.00 0.00 C ATOM 1252 OE1 GLU A 82 -6.797 -9.115 4.068 1.00 0.00 O ATOM 1253 OE2 GLU A 82 -6.017 -10.313 5.737 1.00 0.00 O ATOM 0 H GLU A 82 -2.037 -7.314 2.214 1.00 0.00 H new ATOM 0 HA GLU A 82 -1.614 -9.584 4.057 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -3.471 -8.677 5.100 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -4.080 -7.935 3.634 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -4.816 -10.125 2.791 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -4.129 -10.922 4.192 1.00 0.00 H new ATOM 1260 N ILE A 83 -1.725 -11.044 2.083 1.00 0.00 N ATOM 1261 CA ILE A 83 -1.781 -11.945 0.940 1.00 0.00 C ATOM 1262 C ILE A 83 -3.186 -12.511 0.762 1.00 0.00 C ATOM 1263 O ILE A 83 -3.626 -13.363 1.534 1.00 0.00 O ATOM 1264 CB ILE A 83 -0.779 -13.108 1.083 1.00 0.00 C ATOM 1265 CG1 ILE A 83 0.654 -12.572 1.175 1.00 0.00 C ATOM 1266 CG2 ILE A 83 -0.918 -14.072 -0.088 1.00 0.00 C ATOM 1267 CD1 ILE A 83 1.248 -12.653 2.565 1.00 0.00 C ATOM 0 H ILE A 83 -1.126 -11.364 2.844 1.00 0.00 H new ATOM 0 HA ILE A 83 -1.512 -11.359 0.061 1.00 0.00 H new ATOM 0 HB ILE A 83 -1.001 -13.649 2.003 1.00 0.00 H new ATOM 0 HG12 ILE A 83 1.287 -13.132 0.486 1.00 0.00 H new ATOM 0 HG13 ILE A 83 0.665 -11.533 0.845 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -0.205 -14.888 0.026 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -1.930 -14.475 -0.109 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -0.719 -13.543 -1.020 1.00 0.00 H new ATOM 0 HD11 ILE A 83 2.263 -12.256 2.551 1.00 0.00 H new ATOM 0 HD12 ILE A 83 0.639 -12.069 3.255 1.00 0.00 H new ATOM 0 HD13 ILE A 83 1.270 -13.693 2.891 1.00 0.00 H new ATOM 1279 N LEU A 84 -3.881 -12.032 -0.262 1.00 0.00 N ATOM 1280 CA LEU A 84 -5.234 -12.490 -0.547 1.00 0.00 C ATOM 1281 C LEU A 84 -5.223 -13.917 -1.085 1.00 0.00 C ATOM 1282 O LEU A 84 -4.163 -14.482 -1.352 1.00 0.00 O ATOM 1283 CB LEU A 84 -5.910 -11.555 -1.551 1.00 0.00 C ATOM 1284 CG LEU A 84 -5.772 -10.062 -1.242 1.00 0.00 C ATOM 1285 CD1 LEU A 84 -6.590 -9.237 -2.224 1.00 0.00 C ATOM 1286 CD2 LEU A 84 -6.199 -9.771 0.191 1.00 0.00 C ATOM 0 H LEU A 84 -3.529 -11.326 -0.909 1.00 0.00 H new ATOM 0 HA LEU A 84 -5.800 -12.479 0.385 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -5.493 -11.746 -2.540 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -6.970 -11.804 -1.599 1.00 0.00 H new ATOM 0 HG LEU A 84 -4.724 -9.783 -1.350 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -6.480 -8.178 -1.990 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -6.236 -9.423 -3.238 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -7.640 -9.518 -2.149 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -6.094 -8.705 0.393 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -7.240 -10.065 0.328 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -5.569 -10.334 0.880 1.00 0.00 H new ATOM 1298 N LYS A 85 -6.410 -14.492 -1.242 1.00 0.00 N ATOM 1299 CA LYS A 85 -6.539 -15.852 -1.748 1.00 0.00 C ATOM 1300 C LYS A 85 -6.809 -15.849 -3.247 1.00 0.00 C ATOM 1301 O LYS A 85 -7.947 -15.681 -3.685 1.00 0.00 O ATOM 1302 CB LYS A 85 -7.663 -16.587 -1.014 1.00 0.00 C ATOM 1303 CG LYS A 85 -7.169 -17.516 0.083 1.00 0.00 C ATOM 1304 CD LYS A 85 -6.863 -18.904 -0.457 1.00 0.00 C ATOM 1305 CE LYS A 85 -5.366 -19.162 -0.520 1.00 0.00 C ATOM 1306 NZ LYS A 85 -4.878 -19.897 0.680 1.00 0.00 N ATOM 0 H LYS A 85 -7.297 -14.037 -1.026 1.00 0.00 H new ATOM 0 HA LYS A 85 -5.598 -16.372 -1.568 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -8.342 -15.853 -0.579 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -8.239 -17.165 -1.736 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -6.273 -17.097 0.540 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -7.923 -17.588 0.867 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -7.336 -19.654 0.177 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -7.294 -19.011 -1.453 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -5.134 -19.737 -1.417 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -4.837 -18.213 -0.604 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -3.853 -20.053 0.598 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -5.076 -19.338 1.534 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -5.364 -20.814 0.747 1.00 0.00 H new ATOM 1320 N GLY A 86 -5.752 -16.036 -4.027 1.00 0.00 N ATOM 1321 CA GLY A 86 -5.888 -16.055 -5.471 1.00 0.00 C ATOM 1322 C GLY A 86 -6.319 -17.410 -5.997 1.00 0.00 C ATOM 1323 O GLY A 86 -5.738 -18.428 -5.563 1.00 0.00 O ATOM 1324 OXT GLY A 86 -7.239 -17.454 -6.841 1.00 0.00 O ATOM 0 H GLY A 86 -4.801 -16.175 -3.685 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -6.617 -15.303 -5.774 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -4.937 -15.778 -5.926 1.00 0.00 H new