USER MOD reduce.3.24.130724 H: found=0, std=0, add=839, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 839 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 60 TYR OH : rot -155:sc= 0.861 USER MOD Set 1.2: A 81 TYR OH : rot -1:sc= 0.415 USER MOD Single : A 5 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 9 THR OG1 : rot 46:sc= -0.257! USER MOD Single : A 15 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 18 ASN : amide:sc= -0.7 K(o=-0.7,f=-4.2!) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 25 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 26 MET CE :methyl 149:sc= -6.03! (180deg=-8.85!) USER MOD Single : A 27 SER OG : rot 14:sc= 1.04 USER MOD Single : A 34 LYS NZ :NH3+ 177:sc= -0.384 (180deg=-0.386) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 THR OG1 : rot 84:sc= -5.02! USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ -149:sc= -0.17 (180deg=-1.21!) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 GLN : amide:sc= -1.97 K(o=-2,f=-4.1!) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ 138:sc= 1.11 (180deg=-0.524) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 THR OG1 : rot -78:sc= -0.966 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 ASN : amide:sc= -0.585 K(o=-0.58,f=-4.1) USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 HIS : no HD1:sc= -0.589 X(o=-0.59,f=-0.94) USER MOD Single : A 74 LYS NZ :NH3+ 156:sc= -0.0483 (180deg=-0.838) USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 78 GLN : amide:sc= -0.552 X(o=-0.55,f=-0.21) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 86 TYR OH : rot 180:sc= -0.0953 USER MOD Single : A 88 THR OG1 : rot 180:sc= -0.113 USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 ASN : amide:sc= -0.246 X(o=-0.25,f=-0.19) USER MOD Single : A 96 LYS NZ :NH3+ -118:sc= -1.29! (180deg=-4.4!) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 73 N ASN A 5 7.069 4.725 -12.361 1.00 0.00 N ATOM 74 CA ASN A 5 7.480 5.091 -11.008 1.00 0.00 C ATOM 75 C ASN A 5 6.673 4.336 -9.977 1.00 0.00 C ATOM 76 O ASN A 5 6.149 4.901 -9.007 1.00 0.00 O ATOM 77 CB ASN A 5 7.327 6.628 -10.818 1.00 0.00 C ATOM 78 CG ASN A 5 8.190 7.525 -11.712 1.00 0.00 C ATOM 79 OD1 ASN A 5 7.705 8.298 -12.525 1.00 0.00 O ATOM 80 ND2 ASN A 5 9.490 7.442 -11.617 1.00 0.00 N ATOM 0 HA ASN A 5 8.526 4.819 -10.868 1.00 0.00 H new ATOM 0 HB2 ASN A 5 6.282 6.888 -10.984 1.00 0.00 H new ATOM 0 HB3 ASN A 5 7.554 6.866 -9.779 1.00 0.00 H new ATOM 0 HD21 ASN A 5 10.083 8.017 -12.216 1.00 0.00 H new ATOM 0 HD22 ASN A 5 9.912 6.802 -10.944 1.00 0.00 H new ATOM 87 N ALA A 6 6.556 3.036 -10.181 1.00 0.00 N ATOM 88 CA ALA A 6 5.711 2.183 -9.352 1.00 0.00 C ATOM 89 C ALA A 6 6.514 1.519 -8.255 1.00 0.00 C ATOM 90 O ALA A 6 7.745 1.627 -8.168 1.00 0.00 O ATOM 91 CB ALA A 6 5.019 1.170 -10.280 1.00 0.00 C ATOM 0 H ALA A 6 7.043 2.538 -10.926 1.00 0.00 H new ATOM 0 HA ALA A 6 4.952 2.773 -8.838 1.00 0.00 H new ATOM 0 HB1 ALA A 6 4.378 0.515 -9.690 1.00 0.00 H new ATOM 0 HB2 ALA A 6 4.415 1.703 -11.015 1.00 0.00 H new ATOM 0 HB3 ALA A 6 5.773 0.573 -10.794 1.00 0.00 H new ATOM 97 N LEU A 7 5.804 0.830 -7.378 1.00 0.00 N ATOM 98 CA LEU A 7 6.392 0.235 -6.182 1.00 0.00 C ATOM 99 C LEU A 7 6.296 -1.272 -6.223 1.00 0.00 C ATOM 100 O LEU A 7 5.250 -1.871 -5.935 1.00 0.00 O ATOM 101 CB LEU A 7 5.713 0.810 -4.904 1.00 0.00 C ATOM 102 CG LEU A 7 5.668 2.355 -4.743 1.00 0.00 C ATOM 103 CD1 LEU A 7 4.489 2.842 -3.886 1.00 0.00 C ATOM 104 CD2 LEU A 7 6.986 2.859 -4.140 1.00 0.00 C ATOM 0 H LEU A 7 4.802 0.665 -7.472 1.00 0.00 H new ATOM 0 HA LEU A 7 7.450 0.494 -6.152 1.00 0.00 H new ATOM 0 HB2 LEU A 7 4.688 0.440 -4.873 1.00 0.00 H new ATOM 0 HB3 LEU A 7 6.227 0.397 -4.036 1.00 0.00 H new ATOM 0 HG LEU A 7 5.526 2.767 -5.742 1.00 0.00 H new ATOM 0 HD11 LEU A 7 4.516 3.929 -3.814 1.00 0.00 H new ATOM 0 HD12 LEU A 7 3.551 2.533 -4.348 1.00 0.00 H new ATOM 0 HD13 LEU A 7 4.562 2.410 -2.888 1.00 0.00 H new ATOM 0 HD21 LEU A 7 6.945 3.943 -4.031 1.00 0.00 H new ATOM 0 HD22 LEU A 7 7.137 2.401 -3.162 1.00 0.00 H new ATOM 0 HD23 LEU A 7 7.813 2.591 -4.798 1.00 0.00 H new ATOM 116 N GLU A 8 7.388 -1.911 -6.606 1.00 0.00 N ATOM 117 CA GLU A 8 7.411 -3.355 -6.819 1.00 0.00 C ATOM 118 C GLU A 8 6.931 -4.093 -5.591 1.00 0.00 C ATOM 119 O GLU A 8 7.675 -4.310 -4.624 1.00 0.00 O ATOM 120 CB GLU A 8 8.857 -3.780 -7.198 1.00 0.00 C ATOM 121 CG GLU A 8 9.448 -3.224 -8.535 1.00 0.00 C ATOM 122 CD GLU A 8 10.886 -3.598 -8.905 1.00 0.00 C ATOM 123 OE1 GLU A 8 11.859 -3.201 -8.278 1.00 0.00 O ATOM 124 OE2 GLU A 8 10.978 -4.411 -9.993 1.00 0.00 O ATOM 0 H GLU A 8 8.281 -1.450 -6.778 1.00 0.00 H new ATOM 0 HA GLU A 8 6.732 -3.613 -7.632 1.00 0.00 H new ATOM 0 HB2 GLU A 8 9.519 -3.478 -6.387 1.00 0.00 H new ATOM 0 HB3 GLU A 8 8.886 -4.869 -7.245 1.00 0.00 H new ATOM 0 HG2 GLU A 8 8.800 -3.553 -9.347 1.00 0.00 H new ATOM 0 HG3 GLU A 8 9.386 -2.136 -8.499 1.00 0.00 H new ATOM 131 N THR A 9 5.679 -4.512 -5.619 1.00 0.00 N ATOM 132 CA THR A 9 5.050 -5.142 -4.461 1.00 0.00 C ATOM 133 C THR A 9 4.990 -6.641 -4.632 1.00 0.00 C ATOM 134 O THR A 9 5.077 -7.174 -5.750 1.00 0.00 O ATOM 135 CB THR A 9 3.624 -4.541 -4.219 1.00 0.00 C ATOM 136 OG1 THR A 9 3.111 -3.978 -5.419 1.00 0.00 O ATOM 137 CG2 THR A 9 3.530 -3.398 -3.185 1.00 0.00 C ATOM 0 H THR A 9 5.071 -4.429 -6.434 1.00 0.00 H new ATOM 0 HA THR A 9 5.658 -4.934 -3.581 1.00 0.00 H new ATOM 0 HB THR A 9 3.067 -5.399 -3.844 1.00 0.00 H new ATOM 0 HG1 THR A 9 3.264 -4.598 -6.163 1.00 0.00 H new ATOM 0 HG21 THR A 9 2.495 -3.065 -3.104 1.00 0.00 H new ATOM 0 HG22 THR A 9 3.873 -3.756 -2.214 1.00 0.00 H new ATOM 0 HG23 THR A 9 4.156 -2.565 -3.506 1.00 0.00 H new ATOM 145 N TRP A 10 4.822 -7.354 -3.534 1.00 0.00 N ATOM 146 CA TRP A 10 4.893 -8.812 -3.539 1.00 0.00 C ATOM 147 C TRP A 10 3.933 -9.415 -2.542 1.00 0.00 C ATOM 148 O TRP A 10 3.529 -8.782 -1.555 1.00 0.00 O ATOM 149 CB TRP A 10 6.346 -9.244 -3.189 1.00 0.00 C ATOM 150 CG TRP A 10 7.332 -9.154 -4.358 1.00 0.00 C ATOM 151 CD1 TRP A 10 8.324 -8.167 -4.529 1.00 0.00 C ATOM 152 CD2 TRP A 10 7.378 -9.937 -5.493 1.00 0.00 C ATOM 153 NE1 TRP A 10 8.992 -8.311 -5.761 1.00 0.00 N ATOM 154 CE2 TRP A 10 8.388 -9.416 -6.339 1.00 0.00 C ATOM 155 CE3 TRP A 10 6.608 -11.060 -5.891 1.00 0.00 C ATOM 156 CZ2 TRP A 10 8.639 -10.021 -7.591 1.00 0.00 C ATOM 157 CZ3 TRP A 10 6.819 -11.588 -7.165 1.00 0.00 C ATOM 158 CH2 TRP A 10 7.829 -11.085 -7.998 1.00 0.00 C ATOM 0 H TRP A 10 4.634 -6.947 -2.618 1.00 0.00 H new ATOM 0 HA TRP A 10 4.615 -9.171 -4.530 1.00 0.00 H new ATOM 0 HB2 TRP A 10 6.711 -8.620 -2.373 1.00 0.00 H new ATOM 0 HB3 TRP A 10 6.329 -10.270 -2.822 1.00 0.00 H new ATOM 0 HD1 TRP A 10 8.544 -7.396 -3.805 1.00 0.00 H new ATOM 0 HE1 TRP A 10 9.745 -7.736 -6.139 1.00 0.00 H new ATOM 0 HE3 TRP A 10 5.877 -11.495 -5.225 1.00 0.00 H new ATOM 0 HZ2 TRP A 10 9.442 -9.668 -8.222 1.00 0.00 H new ATOM 0 HZ3 TRP A 10 6.195 -12.397 -7.515 1.00 0.00 H new ATOM 0 HH2 TRP A 10 7.984 -11.528 -8.971 1.00 0.00 H new ATOM 169 N GLY A 11 3.528 -10.649 -2.791 1.00 0.00 N ATOM 170 CA GLY A 11 2.710 -11.396 -1.841 1.00 0.00 C ATOM 171 C GLY A 11 2.773 -12.883 -2.105 1.00 0.00 C ATOM 172 O GLY A 11 3.536 -13.378 -2.947 1.00 0.00 O ATOM 0 H GLY A 11 3.752 -11.159 -3.645 1.00 0.00 H new ATOM 0 HA2 GLY A 11 3.050 -11.191 -0.826 1.00 0.00 H new ATOM 0 HA3 GLY A 11 1.676 -11.058 -1.905 1.00 0.00 H new ATOM 176 N ALA A 12 1.977 -13.630 -1.363 1.00 0.00 N ATOM 177 CA ALA A 12 1.791 -15.065 -1.579 1.00 0.00 C ATOM 178 C ALA A 12 0.322 -15.379 -1.744 1.00 0.00 C ATOM 179 O ALA A 12 -0.538 -14.618 -1.231 1.00 0.00 O ATOM 180 CB ALA A 12 2.441 -15.809 -0.401 1.00 0.00 C ATOM 0 H ALA A 12 1.433 -13.260 -0.584 1.00 0.00 H new ATOM 0 HA ALA A 12 2.274 -15.396 -2.499 1.00 0.00 H new ATOM 0 HB1 ALA A 12 2.317 -16.883 -0.536 1.00 0.00 H new ATOM 0 HB2 ALA A 12 3.503 -15.569 -0.360 1.00 0.00 H new ATOM 0 HB3 ALA A 12 1.964 -15.503 0.530 1.00 0.00 H new ATOM 186 N LEU A 13 -0.031 -16.468 -2.406 1.00 0.00 N ATOM 187 CA LEU A 13 -1.439 -16.711 -2.741 1.00 0.00 C ATOM 188 C LEU A 13 -2.209 -17.442 -1.648 1.00 0.00 C ATOM 189 O LEU A 13 -1.711 -18.244 -0.850 1.00 0.00 O ATOM 190 CB LEU A 13 -1.630 -17.470 -4.079 1.00 0.00 C ATOM 191 CG LEU A 13 -0.689 -18.706 -4.412 1.00 0.00 C ATOM 192 CD1 LEU A 13 -1.300 -19.480 -5.587 1.00 0.00 C ATOM 193 CD2 LEU A 13 0.741 -18.269 -4.758 1.00 0.00 C ATOM 0 H LEU A 13 0.617 -17.190 -2.720 1.00 0.00 H new ATOM 0 HA LEU A 13 -1.852 -15.708 -2.844 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -2.660 -17.825 -4.110 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -1.517 -16.746 -4.886 1.00 0.00 H new ATOM 0 HG LEU A 13 -0.622 -19.338 -3.527 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -0.666 -20.333 -5.830 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -2.294 -19.833 -5.313 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -1.374 -18.825 -6.455 1.00 0.00 H new ATOM 0 HD21 LEU A 13 1.347 -19.148 -4.978 1.00 0.00 H new ATOM 0 HD22 LEU A 13 0.721 -17.615 -5.630 1.00 0.00 H new ATOM 0 HD23 LEU A 13 1.172 -17.733 -3.912 1.00 0.00 H new ATOM 205 N GLY A 14 -3.502 -17.113 -1.610 1.00 0.00 N ATOM 206 CA GLY A 14 -4.404 -17.562 -0.548 1.00 0.00 C ATOM 207 C GLY A 14 -4.148 -16.730 0.695 1.00 0.00 C ATOM 208 O GLY A 14 -4.225 -17.230 1.827 1.00 0.00 O ATOM 0 H GLY A 14 -3.953 -16.528 -2.314 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -5.442 -17.458 -0.865 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -4.240 -18.618 -0.335 1.00 0.00 H new ATOM 212 N GLN A 15 -3.817 -15.462 0.482 1.00 0.00 N ATOM 213 CA GLN A 15 -3.269 -14.675 1.594 1.00 0.00 C ATOM 214 C GLN A 15 -3.278 -13.168 1.440 1.00 0.00 C ATOM 215 O GLN A 15 -3.074 -12.557 0.383 1.00 0.00 O ATOM 216 CB GLN A 15 -1.806 -15.155 1.789 1.00 0.00 C ATOM 217 CG GLN A 15 -1.364 -15.481 3.253 1.00 0.00 C ATOM 218 CD GLN A 15 -0.198 -16.452 3.481 1.00 0.00 C ATOM 219 OE1 GLN A 15 -0.397 -17.612 3.804 1.00 0.00 O ATOM 220 NE2 GLN A 15 1.034 -16.046 3.305 1.00 0.00 N ATOM 0 H GLN A 15 -3.910 -14.969 -0.406 1.00 0.00 H new ATOM 0 HA GLN A 15 -3.925 -14.849 2.447 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -1.657 -16.048 1.182 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -1.140 -14.387 1.395 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -1.106 -14.539 3.736 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -2.232 -15.881 3.777 1.00 0.00 H new ATOM 0 HE21 GLN A 15 1.219 -15.080 3.035 1.00 0.00 H new ATOM 0 HE22 GLN A 15 1.809 -16.696 3.438 1.00 0.00 H new ATOM 229 N ASP A 16 -3.445 -12.510 2.589 1.00 0.00 N ATOM 230 CA ASP A 16 -3.620 -11.064 2.665 1.00 0.00 C ATOM 231 C ASP A 16 -2.299 -10.338 2.561 1.00 0.00 C ATOM 232 O ASP A 16 -1.263 -10.784 3.074 1.00 0.00 O ATOM 233 CB ASP A 16 -4.375 -10.689 3.970 1.00 0.00 C ATOM 234 CG ASP A 16 -3.984 -9.365 4.642 1.00 0.00 C ATOM 235 OD1 ASP A 16 -2.999 -9.247 5.357 1.00 0.00 O ATOM 236 OD2 ASP A 16 -4.864 -8.353 4.375 1.00 0.00 O ATOM 0 H ASP A 16 -3.462 -12.972 3.498 1.00 0.00 H new ATOM 0 HA ASP A 16 -4.222 -10.745 1.814 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -5.441 -10.654 3.747 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -4.226 -11.493 4.691 1.00 0.00 H new ATOM 241 N ILE A 17 -2.322 -9.190 1.910 1.00 0.00 N ATOM 242 CA ILE A 17 -1.162 -8.304 1.847 1.00 0.00 C ATOM 243 C ILE A 17 -1.585 -6.894 1.501 1.00 0.00 C ATOM 244 O ILE A 17 -2.557 -6.674 0.756 1.00 0.00 O ATOM 245 CB ILE A 17 -0.060 -8.866 0.859 1.00 0.00 C ATOM 246 CG1 ILE A 17 0.881 -7.782 0.242 1.00 0.00 C ATOM 247 CG2 ILE A 17 -0.666 -9.704 -0.309 1.00 0.00 C ATOM 248 CD1 ILE A 17 0.439 -7.205 -1.119 1.00 0.00 C ATOM 0 H ILE A 17 -3.140 -8.841 1.410 1.00 0.00 H new ATOM 0 HA ILE A 17 -0.702 -8.269 2.834 1.00 0.00 H new ATOM 0 HB ILE A 17 0.541 -9.504 1.507 1.00 0.00 H new ATOM 0 HG12 ILE A 17 0.971 -6.960 0.952 1.00 0.00 H new ATOM 0 HG13 ILE A 17 1.875 -8.214 0.127 1.00 0.00 H new ATOM 0 HG21 ILE A 17 0.136 -10.063 -0.954 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -1.212 -10.555 0.099 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -1.346 -9.081 -0.889 1.00 0.00 H new ATOM 0 HD11 ILE A 17 1.164 -6.463 -1.452 1.00 0.00 H new ATOM 0 HD12 ILE A 17 0.379 -8.009 -1.853 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -0.539 -6.735 -1.015 1.00 0.00 H new ATOM 260 N ASN A 18 -0.866 -5.910 2.006 1.00 0.00 N ATOM 261 CA ASN A 18 -1.270 -4.512 1.878 1.00 0.00 C ATOM 262 C ASN A 18 -0.452 -3.773 0.841 1.00 0.00 C ATOM 263 O ASN A 18 0.649 -4.175 0.441 1.00 0.00 O ATOM 264 CB ASN A 18 -1.140 -3.807 3.262 1.00 0.00 C ATOM 265 CG ASN A 18 -1.485 -4.586 4.534 1.00 0.00 C ATOM 266 OD1 ASN A 18 -1.539 -5.806 4.578 1.00 0.00 O ATOM 267 ND2 ASN A 18 -1.709 -3.911 5.635 1.00 0.00 N ATOM 0 H ASN A 18 0.008 -6.049 2.513 1.00 0.00 H new ATOM 0 HA ASN A 18 -2.307 -4.493 1.543 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -0.111 -3.461 3.358 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -1.773 -2.920 3.239 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -1.922 -4.405 6.502 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -1.670 -2.892 5.625 1.00 0.00 H new ATOM 274 N LEU A 19 -0.985 -2.646 0.400 1.00 0.00 N ATOM 275 CA LEU A 19 -0.274 -1.712 -0.472 1.00 0.00 C ATOM 276 C LEU A 19 0.168 -0.504 0.328 1.00 0.00 C ATOM 277 O LEU A 19 -0.608 0.384 0.702 1.00 0.00 O ATOM 278 CB LEU A 19 -1.144 -1.330 -1.706 1.00 0.00 C ATOM 279 CG LEU A 19 -1.299 -2.410 -2.820 1.00 0.00 C ATOM 280 CD1 LEU A 19 -2.717 -2.995 -2.783 1.00 0.00 C ATOM 281 CD2 LEU A 19 -0.997 -1.879 -4.231 1.00 0.00 C ATOM 0 H LEU A 19 -1.931 -2.346 0.636 1.00 0.00 H new ATOM 0 HA LEU A 19 0.621 -2.192 -0.867 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -2.139 -1.064 -1.350 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -0.717 -0.435 -2.158 1.00 0.00 H new ATOM 0 HG LEU A 19 -0.560 -3.183 -2.609 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -2.820 -3.749 -3.563 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -2.897 -3.453 -1.810 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -3.443 -2.199 -2.949 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -1.124 -2.682 -4.957 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -1.682 -1.064 -4.467 1.00 0.00 H new ATOM 0 HD23 LEU A 19 0.029 -1.513 -4.270 1.00 0.00 H new ATOM 293 N ASP A 20 1.460 -0.478 0.624 1.00 0.00 N ATOM 294 CA ASP A 20 2.046 0.495 1.538 1.00 0.00 C ATOM 295 C ASP A 20 2.755 1.603 0.793 1.00 0.00 C ATOM 296 O ASP A 20 3.832 1.435 0.205 1.00 0.00 O ATOM 297 CB ASP A 20 2.992 -0.216 2.543 1.00 0.00 C ATOM 298 CG ASP A 20 2.400 -1.401 3.322 1.00 0.00 C ATOM 299 OD1 ASP A 20 2.280 -2.529 2.559 1.00 0.00 O ATOM 300 OD2 ASP A 20 2.093 -1.336 4.503 1.00 0.00 O ATOM 0 H ASP A 20 2.136 -1.135 0.235 1.00 0.00 H new ATOM 0 HA ASP A 20 1.239 0.963 2.102 1.00 0.00 H new ATOM 0 HB2 ASP A 20 3.866 -0.570 1.997 1.00 0.00 H new ATOM 0 HB3 ASP A 20 3.343 0.524 3.262 1.00 0.00 H new ATOM 305 N ILE A 21 2.156 2.784 0.833 1.00 0.00 N ATOM 306 CA ILE A 21 2.720 3.984 0.224 1.00 0.00 C ATOM 307 C ILE A 21 3.940 4.468 0.974 1.00 0.00 C ATOM 308 O ILE A 21 4.221 4.059 2.110 1.00 0.00 O ATOM 309 CB ILE A 21 1.625 5.125 0.095 1.00 0.00 C ATOM 310 CG1 ILE A 21 1.632 5.906 -1.258 1.00 0.00 C ATOM 311 CG2 ILE A 21 1.707 6.168 1.254 1.00 0.00 C ATOM 312 CD1 ILE A 21 1.917 7.419 -1.156 1.00 0.00 C ATOM 0 H ILE A 21 1.258 2.940 1.292 1.00 0.00 H new ATOM 0 HA ILE A 21 3.046 3.722 -0.782 1.00 0.00 H new ATOM 0 HB ILE A 21 0.692 4.564 0.148 1.00 0.00 H new ATOM 0 HG12 ILE A 21 2.380 5.457 -1.911 1.00 0.00 H new ATOM 0 HG13 ILE A 21 0.664 5.769 -1.740 1.00 0.00 H new ATOM 0 HG21 ILE A 21 0.936 6.926 1.117 1.00 0.00 H new ATOM 0 HG22 ILE A 21 1.555 5.664 2.208 1.00 0.00 H new ATOM 0 HG23 ILE A 21 2.688 6.643 1.247 1.00 0.00 H new ATOM 0 HD11 ILE A 21 1.898 7.861 -2.152 1.00 0.00 H new ATOM 0 HD12 ILE A 21 1.156 7.892 -0.535 1.00 0.00 H new ATOM 0 HD13 ILE A 21 2.899 7.575 -0.709 1.00 0.00 H new ATOM 324 N PRO A 22 4.693 5.358 0.348 1.00 0.00 N ATOM 325 CA PRO A 22 5.904 6.100 0.903 1.00 0.00 C ATOM 326 C PRO A 22 5.754 6.669 2.300 1.00 0.00 C ATOM 327 O PRO A 22 4.754 6.501 3.010 1.00 0.00 O ATOM 328 CB PRO A 22 6.150 7.268 -0.052 1.00 0.00 C ATOM 329 CG PRO A 22 5.768 6.618 -1.392 1.00 0.00 C ATOM 330 CD PRO A 22 4.502 5.826 -1.052 1.00 0.00 C ATOM 0 HA PRO A 22 6.716 5.376 0.977 1.00 0.00 H new ATOM 0 HB2 PRO A 22 5.529 8.133 0.182 1.00 0.00 H new ATOM 0 HB3 PRO A 22 7.186 7.606 -0.035 1.00 0.00 H new ATOM 0 HG2 PRO A 22 5.580 7.366 -2.162 1.00 0.00 H new ATOM 0 HG3 PRO A 22 6.561 5.969 -1.765 1.00 0.00 H new ATOM 0 HD2 PRO A 22 3.613 6.450 -1.140 1.00 0.00 H new ATOM 0 HD3 PRO A 22 4.370 4.985 -1.733 1.00 0.00 H new ATOM 338 N SER A 23 6.785 7.407 2.705 1.00 0.00 N ATOM 339 CA SER A 23 6.834 8.002 4.038 1.00 0.00 C ATOM 340 C SER A 23 6.166 9.358 4.097 1.00 0.00 C ATOM 341 O SER A 23 6.548 10.233 4.895 1.00 0.00 O ATOM 342 CB SER A 23 8.298 8.080 4.544 1.00 0.00 C ATOM 343 OG SER A 23 8.754 6.853 5.122 1.00 0.00 O ATOM 0 H SER A 23 7.601 7.608 2.126 1.00 0.00 H new ATOM 0 HA SER A 23 6.266 7.349 4.701 1.00 0.00 H new ATOM 0 HB2 SER A 23 8.950 8.349 3.713 1.00 0.00 H new ATOM 0 HB3 SER A 23 8.379 8.876 5.284 1.00 0.00 H new ATOM 0 HG SER A 23 9.681 6.957 5.422 1.00 0.00 H new ATOM 349 N PHE A 24 5.171 9.574 3.259 1.00 0.00 N ATOM 350 CA PHE A 24 4.327 10.766 3.333 1.00 0.00 C ATOM 351 C PHE A 24 3.225 10.556 4.346 1.00 0.00 C ATOM 352 O PHE A 24 2.651 9.449 4.443 1.00 0.00 O ATOM 353 CB PHE A 24 3.693 11.069 1.942 1.00 0.00 C ATOM 354 CG PHE A 24 4.559 11.860 0.950 1.00 0.00 C ATOM 355 CD1 PHE A 24 5.570 11.230 0.221 1.00 0.00 C ATOM 356 CD2 PHE A 24 4.298 13.218 0.733 1.00 0.00 C ATOM 357 CE1 PHE A 24 6.332 11.957 -0.691 1.00 0.00 C ATOM 358 CE2 PHE A 24 5.065 13.945 -0.171 1.00 0.00 C ATOM 359 CZ PHE A 24 6.087 13.316 -0.878 1.00 0.00 C ATOM 0 H PHE A 24 4.919 8.933 2.506 1.00 0.00 H new ATOM 0 HA PHE A 24 4.947 11.609 3.636 1.00 0.00 H new ATOM 0 HB2 PHE A 24 3.422 10.121 1.477 1.00 0.00 H new ATOM 0 HB3 PHE A 24 2.767 11.622 2.102 1.00 0.00 H new ATOM 0 HD1 PHE A 24 5.762 10.177 0.365 1.00 0.00 H new ATOM 0 HD2 PHE A 24 3.497 13.704 1.270 1.00 0.00 H new ATOM 0 HE1 PHE A 24 7.113 11.467 -1.253 1.00 0.00 H new ATOM 0 HE2 PHE A 24 4.868 14.996 -0.325 1.00 0.00 H new ATOM 0 HZ PHE A 24 6.690 13.882 -1.572 1.00 0.00 H new ATOM 369 N GLN A 25 2.886 11.569 5.118 1.00 0.00 N ATOM 370 CA GLN A 25 1.948 11.413 6.230 1.00 0.00 C ATOM 371 C GLN A 25 0.852 12.453 6.200 1.00 0.00 C ATOM 372 O GLN A 25 1.062 13.640 6.491 1.00 0.00 O ATOM 373 CB GLN A 25 2.742 11.491 7.553 1.00 0.00 C ATOM 374 CG GLN A 25 3.992 10.556 7.664 1.00 0.00 C ATOM 375 CD GLN A 25 4.864 10.619 8.923 1.00 0.00 C ATOM 376 OE1 GLN A 25 5.836 11.356 8.981 1.00 0.00 O ATOM 377 NE2 GLN A 25 4.574 9.873 9.958 1.00 0.00 N ATOM 0 H GLN A 25 3.244 12.517 5.001 1.00 0.00 H new ATOM 0 HA GLN A 25 1.456 10.445 6.142 1.00 0.00 H new ATOM 0 HB2 GLN A 25 3.070 12.521 7.695 1.00 0.00 H new ATOM 0 HB3 GLN A 25 2.064 11.256 8.374 1.00 0.00 H new ATOM 0 HG2 GLN A 25 3.644 9.529 7.557 1.00 0.00 H new ATOM 0 HG3 GLN A 25 4.635 10.765 6.809 1.00 0.00 H new ATOM 0 HE21 GLN A 25 3.766 9.251 9.928 1.00 0.00 H new ATOM 0 HE22 GLN A 25 5.156 9.913 10.795 1.00 0.00 H new ATOM 386 N MET A 26 -0.348 12.012 5.866 1.00 0.00 N ATOM 387 CA MET A 26 -1.540 12.852 5.938 1.00 0.00 C ATOM 388 C MET A 26 -1.997 13.009 7.369 1.00 0.00 C ATOM 389 O MET A 26 -1.520 12.315 8.285 1.00 0.00 O ATOM 390 CB MET A 26 -2.669 12.245 5.060 1.00 0.00 C ATOM 391 CG MET A 26 -2.227 11.623 3.719 1.00 0.00 C ATOM 392 SD MET A 26 -2.739 9.898 3.647 1.00 0.00 S ATOM 393 CE MET A 26 -4.418 10.143 3.052 1.00 0.00 C ATOM 0 H MET A 26 -0.528 11.063 5.537 1.00 0.00 H new ATOM 0 HA MET A 26 -1.295 13.843 5.555 1.00 0.00 H new ATOM 0 HB2 MET A 26 -3.181 11.478 5.641 1.00 0.00 H new ATOM 0 HB3 MET A 26 -3.399 13.027 4.851 1.00 0.00 H new ATOM 0 HG2 MET A 26 -2.666 12.177 2.889 1.00 0.00 H new ATOM 0 HG3 MET A 26 -1.144 11.695 3.614 1.00 0.00 H new ATOM 0 HE1 MET A 26 -4.715 9.291 2.440 1.00 0.00 H new ATOM 0 HE2 MET A 26 -5.095 10.234 3.901 1.00 0.00 H new ATOM 0 HE3 MET A 26 -4.463 11.053 2.453 1.00 0.00 H new ATOM 403 N SER A 27 -2.942 13.903 7.598 1.00 0.00 N ATOM 404 CA SER A 27 -3.447 14.149 8.948 1.00 0.00 C ATOM 405 C SER A 27 -4.843 14.739 8.905 1.00 0.00 C ATOM 406 O SER A 27 -5.812 14.048 8.536 1.00 0.00 O ATOM 407 CB SER A 27 -2.431 15.007 9.752 1.00 0.00 C ATOM 408 OG SER A 27 -1.296 14.253 10.189 1.00 0.00 O ATOM 0 H SER A 27 -3.378 14.472 6.873 1.00 0.00 H new ATOM 0 HA SER A 27 -3.543 13.202 9.480 1.00 0.00 H new ATOM 0 HB2 SER A 27 -2.093 15.838 9.133 1.00 0.00 H new ATOM 0 HB3 SER A 27 -2.932 15.438 10.619 1.00 0.00 H new ATOM 0 HG SER A 27 -1.268 13.398 9.711 1.00 0.00 H new ATOM 414 N ASP A 28 -4.997 15.989 9.290 1.00 0.00 N ATOM 415 CA ASP A 28 -6.314 16.607 9.449 1.00 0.00 C ATOM 416 C ASP A 28 -6.864 17.140 8.147 1.00 0.00 C ATOM 417 O ASP A 28 -8.014 16.854 7.755 1.00 0.00 O ATOM 418 CB ASP A 28 -6.239 17.721 10.531 1.00 0.00 C ATOM 419 CG ASP A 28 -5.258 18.871 10.265 1.00 0.00 C ATOM 420 OD1 ASP A 28 -4.047 18.714 10.203 1.00 0.00 O ATOM 421 OD2 ASP A 28 -5.885 20.073 10.083 1.00 0.00 O ATOM 0 H ASP A 28 -4.218 16.612 9.504 1.00 0.00 H new ATOM 0 HA ASP A 28 -7.011 15.835 9.777 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -7.236 18.145 10.654 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -5.971 17.257 11.480 1.00 0.00 H new ATOM 426 N ASP A 29 -6.084 17.942 7.448 1.00 0.00 N ATOM 427 CA ASP A 29 -6.573 18.649 6.260 1.00 0.00 C ATOM 428 C ASP A 29 -6.869 17.731 5.093 1.00 0.00 C ATOM 429 O ASP A 29 -7.609 18.102 4.160 1.00 0.00 O ATOM 430 CB ASP A 29 -5.564 19.760 5.862 1.00 0.00 C ATOM 431 CG ASP A 29 -4.944 20.569 7.010 1.00 0.00 C ATOM 432 OD1 ASP A 29 -5.827 21.445 7.578 1.00 0.00 O ATOM 433 OD2 ASP A 29 -3.789 20.422 7.382 1.00 0.00 O ATOM 0 H ASP A 29 -5.107 18.126 7.675 1.00 0.00 H new ATOM 0 HA ASP A 29 -7.529 19.102 6.523 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -4.755 19.299 5.295 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -6.069 20.454 5.190 1.00 0.00 H new ATOM 438 N ILE A 30 -6.338 16.524 5.110 1.00 0.00 N ATOM 439 CA ILE A 30 -6.505 15.595 3.993 1.00 0.00 C ATOM 440 C ILE A 30 -7.767 14.779 4.155 1.00 0.00 C ATOM 441 O ILE A 30 -8.000 14.151 5.202 1.00 0.00 O ATOM 442 CB ILE A 30 -5.222 14.687 3.807 1.00 0.00 C ATOM 443 CG1 ILE A 30 -3.864 15.432 4.015 1.00 0.00 C ATOM 444 CG2 ILE A 30 -5.178 13.979 2.417 1.00 0.00 C ATOM 445 CD1 ILE A 30 -2.701 14.982 3.107 1.00 0.00 C ATOM 0 H ILE A 30 -5.785 16.157 5.884 1.00 0.00 H new ATOM 0 HA ILE A 30 -6.614 16.176 3.077 1.00 0.00 H new ATOM 0 HB ILE A 30 -5.329 13.947 4.600 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -4.029 16.498 3.859 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -3.558 15.306 5.054 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -4.276 13.371 2.347 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -6.055 13.342 2.305 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -5.172 14.729 1.626 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -1.811 15.567 3.339 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -2.495 13.925 3.276 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -2.974 15.136 2.063 1.00 0.00 H new ATOM 457 N ASP A 31 -8.590 14.752 3.123 1.00 0.00 N ATOM 458 CA ASP A 31 -9.911 14.133 3.199 1.00 0.00 C ATOM 459 C ASP A 31 -10.112 13.071 2.142 1.00 0.00 C ATOM 460 O ASP A 31 -10.823 12.067 2.385 1.00 0.00 O ATOM 461 CB ASP A 31 -11.012 15.226 3.123 1.00 0.00 C ATOM 462 CG ASP A 31 -11.987 15.300 4.308 1.00 0.00 C ATOM 463 OD1 ASP A 31 -12.197 14.085 4.899 1.00 0.00 O ATOM 464 OD2 ASP A 31 -12.520 16.339 4.669 1.00 0.00 O ATOM 0 H ASP A 31 -8.369 15.154 2.212 1.00 0.00 H new ATOM 0 HA ASP A 31 -9.986 13.623 4.159 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -10.524 16.195 3.022 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -11.591 15.064 2.214 1.00 0.00 H new ATOM 469 N ASP A 32 -9.509 13.209 0.978 1.00 0.00 N ATOM 470 CA ASP A 32 -9.780 12.302 -0.140 1.00 0.00 C ATOM 471 C ASP A 32 -8.674 11.283 -0.286 1.00 0.00 C ATOM 472 O ASP A 32 -7.477 11.571 -0.147 1.00 0.00 O ATOM 473 CB ASP A 32 -10.013 13.102 -1.448 1.00 0.00 C ATOM 474 CG ASP A 32 -10.199 12.278 -2.732 1.00 0.00 C ATOM 475 OD1 ASP A 32 -9.043 11.678 -3.147 1.00 0.00 O ATOM 476 OD2 ASP A 32 -11.276 12.164 -3.300 1.00 0.00 O ATOM 0 H ASP A 32 -8.826 13.938 0.773 1.00 0.00 H new ATOM 0 HA ASP A 32 -10.697 11.751 0.071 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -10.896 13.727 -1.313 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -9.166 13.773 -1.593 1.00 0.00 H new ATOM 481 N ILE A 33 -9.068 10.050 -0.550 1.00 0.00 N ATOM 482 CA ILE A 33 -8.128 8.950 -0.749 1.00 0.00 C ATOM 483 C ILE A 33 -8.636 8.006 -1.813 1.00 0.00 C ATOM 484 O ILE A 33 -9.861 7.837 -1.986 1.00 0.00 O ATOM 485 CB ILE A 33 -7.821 8.208 0.615 1.00 0.00 C ATOM 486 CG1 ILE A 33 -7.720 9.152 1.857 1.00 0.00 C ATOM 487 CG2 ILE A 33 -6.527 7.338 0.558 1.00 0.00 C ATOM 488 CD1 ILE A 33 -7.251 8.493 3.170 1.00 0.00 C ATOM 0 H ILE A 33 -10.048 9.778 -0.633 1.00 0.00 H new ATOM 0 HA ILE A 33 -7.182 9.360 -1.102 1.00 0.00 H new ATOM 0 HB ILE A 33 -8.693 7.567 0.744 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -7.034 9.964 1.616 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -8.699 9.601 2.028 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -6.370 6.855 1.523 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -6.634 6.577 -0.216 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -5.672 7.973 0.327 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -7.219 9.242 3.962 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -7.946 7.701 3.448 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -6.256 8.070 3.030 1.00 0.00 H new ATOM 500 N LYS A 34 -7.739 7.393 -2.565 1.00 0.00 N ATOM 501 CA LYS A 34 -8.146 6.573 -3.705 1.00 0.00 C ATOM 502 C LYS A 34 -7.115 5.527 -4.071 1.00 0.00 C ATOM 503 O LYS A 34 -5.895 5.739 -4.070 1.00 0.00 O ATOM 504 CB LYS A 34 -8.438 7.496 -4.921 1.00 0.00 C ATOM 505 CG LYS A 34 -9.456 6.889 -5.920 1.00 0.00 C ATOM 506 CD LYS A 34 -9.485 7.554 -7.298 1.00 0.00 C ATOM 507 CE LYS A 34 -10.869 8.176 -7.530 1.00 0.00 C ATOM 508 NZ LYS A 34 -11.780 7.154 -8.076 1.00 0.00 N ATOM 0 H LYS A 34 -6.732 7.443 -2.414 1.00 0.00 H new ATOM 0 HA LYS A 34 -9.048 6.031 -3.419 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -8.819 8.451 -4.560 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -7.504 7.702 -5.444 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -9.229 5.831 -6.049 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -10.452 6.950 -5.482 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -8.713 8.321 -7.361 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -9.269 6.820 -8.074 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -11.265 8.569 -6.593 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -10.791 9.016 -8.220 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -12.731 7.560 -8.186 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -11.430 6.836 -9.002 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -11.823 6.344 -7.425 1.00 0.00 H new ATOM 522 N TRP A 35 -7.616 4.355 -4.421 1.00 0.00 N ATOM 523 CA TRP A 35 -6.826 3.262 -4.978 1.00 0.00 C ATOM 524 C TRP A 35 -7.600 2.606 -6.106 1.00 0.00 C ATOM 525 O TRP A 35 -8.770 2.220 -5.920 1.00 0.00 O ATOM 526 CB TRP A 35 -6.512 2.197 -3.892 1.00 0.00 C ATOM 527 CG TRP A 35 -5.325 2.488 -2.971 1.00 0.00 C ATOM 528 CD1 TRP A 35 -5.369 3.202 -1.756 1.00 0.00 C ATOM 529 CD2 TRP A 35 -4.025 2.038 -3.101 1.00 0.00 C ATOM 530 NE1 TRP A 35 -4.118 3.195 -1.106 1.00 0.00 N ATOM 531 CE2 TRP A 35 -3.305 2.462 -1.956 1.00 0.00 C ATOM 532 CE3 TRP A 35 -3.377 1.311 -4.136 1.00 0.00 C ATOM 533 CZ2 TRP A 35 -1.953 2.084 -1.790 1.00 0.00 C ATOM 534 CZ3 TRP A 35 -2.044 0.944 -3.944 1.00 0.00 C ATOM 535 CH2 TRP A 35 -1.349 1.305 -2.780 1.00 0.00 C ATOM 0 H TRP A 35 -8.606 4.128 -4.325 1.00 0.00 H new ATOM 0 HA TRP A 35 -5.887 3.670 -5.351 1.00 0.00 H new ATOM 0 HB2 TRP A 35 -7.400 2.069 -3.273 1.00 0.00 H new ATOM 0 HB3 TRP A 35 -6.331 1.245 -4.391 1.00 0.00 H new ATOM 0 HD1 TRP A 35 -6.251 3.693 -1.371 1.00 0.00 H new ATOM 0 HE1 TRP A 35 -3.869 3.629 -0.217 1.00 0.00 H new ATOM 0 HE3 TRP A 35 -3.900 1.050 -5.044 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 -1.398 2.391 -0.916 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 -1.538 0.371 -4.707 1.00 0.00 H new ATOM 0 HH2 TRP A 35 -0.329 0.975 -2.647 1.00 0.00 H new ATOM 546 N GLU A 36 -7.011 2.491 -7.279 1.00 0.00 N ATOM 547 CA GLU A 36 -7.695 1.887 -8.423 1.00 0.00 C ATOM 548 C GLU A 36 -6.924 0.697 -8.938 1.00 0.00 C ATOM 549 O GLU A 36 -5.755 0.472 -8.576 1.00 0.00 O ATOM 550 CB GLU A 36 -7.871 2.973 -9.521 1.00 0.00 C ATOM 551 CG GLU A 36 -8.225 4.421 -9.045 1.00 0.00 C ATOM 552 CD GLU A 36 -8.890 5.374 -10.041 1.00 0.00 C ATOM 553 OE1 GLU A 36 -10.015 5.193 -10.487 1.00 0.00 O ATOM 554 OE2 GLU A 36 -8.114 6.440 -10.382 1.00 0.00 O ATOM 0 H GLU A 36 -6.060 2.805 -7.473 1.00 0.00 H new ATOM 0 HA GLU A 36 -8.676 1.521 -8.121 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -6.947 3.023 -10.097 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -8.654 2.641 -10.202 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -8.882 4.334 -8.180 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -7.304 4.891 -8.700 1.00 0.00 H new ATOM 561 N LYS A 37 -7.542 -0.074 -9.810 1.00 0.00 N ATOM 562 CA LYS A 37 -6.853 -1.175 -10.485 1.00 0.00 C ATOM 563 C LYS A 37 -6.350 -0.700 -11.831 1.00 0.00 C ATOM 564 O LYS A 37 -7.020 -0.867 -12.859 1.00 0.00 O ATOM 565 CB LYS A 37 -7.806 -2.392 -10.628 1.00 0.00 C ATOM 566 CG LYS A 37 -7.122 -3.749 -10.327 1.00 0.00 C ATOM 567 CD LYS A 37 -8.025 -4.791 -9.660 1.00 0.00 C ATOM 568 CE LYS A 37 -9.175 -5.147 -10.611 1.00 0.00 C ATOM 569 NZ LYS A 37 -10.255 -5.800 -9.850 1.00 0.00 N ATOM 0 H LYS A 37 -8.521 0.035 -10.074 1.00 0.00 H new ATOM 0 HA LYS A 37 -5.996 -1.496 -9.892 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -8.652 -2.263 -9.953 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -8.207 -2.413 -11.641 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -6.742 -4.163 -11.261 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -6.261 -3.571 -9.684 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -7.450 -5.684 -9.415 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -8.421 -4.400 -8.723 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -9.551 -4.247 -11.098 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -8.818 -5.810 -11.399 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -11.036 -6.042 -10.493 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -9.891 -6.667 -9.405 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -10.601 -5.152 -9.114 1.00 0.00 H new ATOM 583 N THR A 38 -5.188 -0.080 -11.821 1.00 0.00 N ATOM 584 CA THR A 38 -4.632 0.632 -12.971 1.00 0.00 C ATOM 585 C THR A 38 -4.991 0.006 -14.301 1.00 0.00 C ATOM 586 O THR A 38 -5.402 0.699 -15.250 1.00 0.00 O ATOM 587 CB THR A 38 -3.072 0.750 -12.844 1.00 0.00 C ATOM 588 OG1 THR A 38 -2.492 -0.533 -12.659 1.00 0.00 O ATOM 589 CG2 THR A 38 -2.541 1.591 -11.664 1.00 0.00 C ATOM 0 H THR A 38 -4.585 -0.052 -10.999 1.00 0.00 H new ATOM 0 HA THR A 38 -5.084 1.624 -12.957 1.00 0.00 H new ATOM 0 HB THR A 38 -2.796 1.246 -13.775 1.00 0.00 H new ATOM 0 HG1 THR A 38 -2.366 -0.964 -13.530 1.00 0.00 H new ATOM 0 HG21 THR A 38 -1.451 1.597 -11.683 1.00 0.00 H new ATOM 0 HG22 THR A 38 -2.911 2.613 -11.750 1.00 0.00 H new ATOM 0 HG23 THR A 38 -2.885 1.158 -10.725 1.00 0.00 H new ATOM 597 N SER A 39 -4.871 -1.304 -14.404 1.00 0.00 N ATOM 598 CA SER A 39 -5.087 -2.000 -15.671 1.00 0.00 C ATOM 599 C SER A 39 -6.456 -1.695 -16.236 1.00 0.00 C ATOM 600 O SER A 39 -6.599 -1.189 -17.360 1.00 0.00 O ATOM 601 CB SER A 39 -4.865 -3.524 -15.509 1.00 0.00 C ATOM 602 OG SER A 39 -4.619 -4.187 -16.754 1.00 0.00 O ATOM 0 H SER A 39 -4.624 -1.915 -13.626 1.00 0.00 H new ATOM 0 HA SER A 39 -4.351 -1.633 -16.387 1.00 0.00 H new ATOM 0 HB2 SER A 39 -4.022 -3.694 -14.840 1.00 0.00 H new ATOM 0 HB3 SER A 39 -5.742 -3.965 -15.035 1.00 0.00 H new ATOM 0 HG SER A 39 -4.484 -5.144 -16.594 1.00 0.00 H new ATOM 608 N ASP A 40 -7.490 -2.016 -15.481 1.00 0.00 N ATOM 609 CA ASP A 40 -8.867 -1.891 -15.955 1.00 0.00 C ATOM 610 C ASP A 40 -9.519 -0.598 -15.518 1.00 0.00 C ATOM 611 O ASP A 40 -10.725 -0.380 -15.797 1.00 0.00 O ATOM 612 CB ASP A 40 -9.694 -3.123 -15.494 1.00 0.00 C ATOM 613 CG ASP A 40 -9.660 -4.362 -16.399 1.00 0.00 C ATOM 614 OD1 ASP A 40 -8.740 -5.166 -16.395 1.00 0.00 O ATOM 615 OD2 ASP A 40 -10.774 -4.476 -17.184 1.00 0.00 O ATOM 0 H ASP A 40 -7.407 -2.369 -14.528 1.00 0.00 H new ATOM 0 HA ASP A 40 -8.842 -1.863 -17.044 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -9.343 -3.416 -14.505 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -10.733 -2.812 -15.384 1.00 0.00 H new ATOM 620 N LYS A 41 -8.808 0.299 -14.864 1.00 0.00 N ATOM 621 CA LYS A 41 -9.422 1.501 -14.291 1.00 0.00 C ATOM 622 C LYS A 41 -10.606 1.125 -13.434 1.00 0.00 C ATOM 623 O LYS A 41 -11.740 1.580 -13.640 1.00 0.00 O ATOM 624 CB LYS A 41 -9.837 2.464 -15.436 1.00 0.00 C ATOM 625 CG LYS A 41 -9.501 3.949 -15.151 1.00 0.00 C ATOM 626 CD LYS A 41 -9.395 4.835 -16.396 1.00 0.00 C ATOM 627 CE LYS A 41 -10.514 5.884 -16.371 1.00 0.00 C ATOM 628 NZ LYS A 41 -11.811 5.214 -16.168 1.00 0.00 N ATOM 0 H LYS A 41 -7.802 0.226 -14.711 1.00 0.00 H new ATOM 0 HA LYS A 41 -8.701 2.012 -13.653 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -9.338 2.158 -16.356 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -10.909 2.369 -15.608 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -10.267 4.360 -14.494 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -8.557 3.995 -14.608 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -8.422 5.326 -16.425 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -9.472 4.226 -17.297 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -10.335 6.603 -15.572 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -10.524 6.443 -17.307 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -12.560 5.755 -16.647 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -11.771 4.253 -16.564 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -12.019 5.161 -15.150 1.00 0.00 H new ATOM 642 N LYS A 42 -10.354 0.296 -12.433 1.00 0.00 N ATOM 643 CA LYS A 42 -11.423 -0.278 -11.619 1.00 0.00 C ATOM 644 C LYS A 42 -11.303 0.098 -10.158 1.00 0.00 C ATOM 645 O LYS A 42 -10.564 -0.501 -9.366 1.00 0.00 O ATOM 646 CB LYS A 42 -11.423 -1.824 -11.790 1.00 0.00 C ATOM 647 CG LYS A 42 -12.825 -2.402 -12.109 1.00 0.00 C ATOM 648 CD LYS A 42 -13.764 -2.514 -10.905 1.00 0.00 C ATOM 649 CE LYS A 42 -14.720 -1.314 -10.894 1.00 0.00 C ATOM 650 NZ LYS A 42 -15.913 -1.645 -10.095 1.00 0.00 N ATOM 0 H LYS A 42 -9.416 0.003 -12.161 1.00 0.00 H new ATOM 0 HA LYS A 42 -12.370 0.134 -11.967 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -10.735 -2.095 -12.591 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -11.046 -2.284 -10.877 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -13.298 -1.774 -12.863 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -12.703 -3.391 -12.549 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -14.330 -3.444 -10.956 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -13.187 -2.542 -9.981 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -14.220 -0.441 -10.476 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -15.011 -1.058 -11.913 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -16.562 -0.832 -10.087 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -16.393 -2.467 -10.513 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -15.627 -1.869 -9.121 1.00 0.00 H new ATOM 664 N LYS A 43 -12.089 1.091 -9.768 1.00 0.00 N ATOM 665 CA LYS A 43 -12.192 1.542 -8.384 1.00 0.00 C ATOM 666 C LYS A 43 -12.269 0.383 -7.414 1.00 0.00 C ATOM 667 O LYS A 43 -13.101 -0.527 -7.524 1.00 0.00 O ATOM 668 CB LYS A 43 -13.439 2.460 -8.232 1.00 0.00 C ATOM 669 CG LYS A 43 -13.120 3.969 -8.374 1.00 0.00 C ATOM 670 CD LYS A 43 -14.291 4.906 -8.063 1.00 0.00 C ATOM 671 CE LYS A 43 -15.151 5.079 -9.322 1.00 0.00 C ATOM 672 NZ LYS A 43 -16.577 5.018 -8.954 1.00 0.00 N ATOM 0 H LYS A 43 -12.682 1.615 -10.412 1.00 0.00 H new ATOM 0 HA LYS A 43 -11.289 2.102 -8.142 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -14.178 2.181 -8.983 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -13.893 2.283 -7.257 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -12.291 4.214 -7.711 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -12.781 4.160 -9.392 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -14.893 4.498 -7.251 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -13.918 5.874 -7.728 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -14.928 6.033 -9.800 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -14.917 4.298 -10.045 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -17.161 5.135 -9.807 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -16.784 4.097 -8.517 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -16.794 5.778 -8.279 1.00 0.00 H new ATOM 686 N ILE A 44 -11.393 0.419 -6.418 1.00 0.00 N ATOM 687 CA ILE A 44 -11.256 -0.668 -5.454 1.00 0.00 C ATOM 688 C ILE A 44 -11.344 -0.171 -4.027 1.00 0.00 C ATOM 689 O ILE A 44 -11.812 -0.898 -3.125 1.00 0.00 O ATOM 690 CB ILE A 44 -9.926 -1.493 -5.708 1.00 0.00 C ATOM 691 CG1 ILE A 44 -8.610 -0.652 -5.669 1.00 0.00 C ATOM 692 CG2 ILE A 44 -9.955 -2.280 -7.055 1.00 0.00 C ATOM 693 CD1 ILE A 44 -7.298 -1.457 -5.562 1.00 0.00 C ATOM 0 H ILE A 44 -10.758 1.200 -6.255 1.00 0.00 H new ATOM 0 HA ILE A 44 -12.097 -1.345 -5.603 1.00 0.00 H new ATOM 0 HB ILE A 44 -9.907 -2.183 -4.864 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -8.566 -0.041 -6.570 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -8.664 0.032 -4.822 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -9.020 -2.827 -7.177 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -10.788 -2.983 -7.048 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -10.077 -1.581 -7.882 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -6.451 -0.771 -5.543 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -7.307 -2.048 -4.646 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -7.208 -2.121 -6.421 1.00 0.00 H new ATOM 705 N ALA A 45 -10.891 1.039 -3.761 1.00 0.00 N ATOM 706 CA ALA A 45 -11.008 1.657 -2.439 1.00 0.00 C ATOM 707 C ALA A 45 -10.927 3.163 -2.550 1.00 0.00 C ATOM 708 O ALA A 45 -10.036 3.687 -3.263 1.00 0.00 O ATOM 709 CB ALA A 45 -9.903 1.062 -1.548 1.00 0.00 C ATOM 0 H ALA A 45 -10.429 1.629 -4.453 1.00 0.00 H new ATOM 0 HA ALA A 45 -11.977 1.444 -1.987 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -9.962 1.502 -0.553 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -10.036 -0.017 -1.476 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -8.928 1.279 -1.984 1.00 0.00 H new ATOM 715 N GLN A 46 -11.793 3.895 -1.870 1.00 0.00 N ATOM 716 CA GLN A 46 -11.773 5.360 -1.977 1.00 0.00 C ATOM 717 C GLN A 46 -12.646 6.050 -0.953 1.00 0.00 C ATOM 718 O GLN A 46 -13.718 5.590 -0.539 1.00 0.00 O ATOM 719 CB GLN A 46 -12.223 5.737 -3.408 1.00 0.00 C ATOM 720 CG GLN A 46 -13.757 5.641 -3.697 1.00 0.00 C ATOM 721 CD GLN A 46 -14.454 6.796 -4.427 1.00 0.00 C ATOM 722 OE1 GLN A 46 -14.482 6.846 -5.647 1.00 0.00 O ATOM 723 NE2 GLN A 46 -15.034 7.748 -3.742 1.00 0.00 N ATOM 0 H GLN A 46 -12.508 3.518 -1.248 1.00 0.00 H new ATOM 0 HA GLN A 46 -10.758 5.702 -1.775 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -11.899 6.758 -3.611 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -11.700 5.091 -4.113 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -13.925 4.735 -4.280 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -14.263 5.504 -2.741 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -15.021 7.723 -2.722 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -15.499 8.515 -4.228 1.00 0.00 H new ATOM 732 N PHE A 47 -12.188 7.222 -0.532 1.00 0.00 N ATOM 733 CA PHE A 47 -12.941 8.133 0.322 1.00 0.00 C ATOM 734 C PHE A 47 -13.236 9.422 -0.415 1.00 0.00 C ATOM 735 O PHE A 47 -12.311 10.133 -0.857 1.00 0.00 O ATOM 736 CB PHE A 47 -12.122 8.477 1.603 1.00 0.00 C ATOM 737 CG PHE A 47 -12.510 7.747 2.900 1.00 0.00 C ATOM 738 CD1 PHE A 47 -13.462 8.314 3.755 1.00 0.00 C ATOM 739 CD2 PHE A 47 -11.877 6.558 3.267 1.00 0.00 C ATOM 740 CE1 PHE A 47 -13.746 7.721 4.981 1.00 0.00 C ATOM 741 CE2 PHE A 47 -12.165 5.962 4.493 1.00 0.00 C ATOM 742 CZ PHE A 47 -13.093 6.547 5.352 1.00 0.00 C ATOM 0 H PHE A 47 -11.263 7.574 -0.780 1.00 0.00 H new ATOM 0 HA PHE A 47 -13.873 7.640 0.598 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -11.072 8.269 1.399 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -12.206 9.549 1.780 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -13.978 9.216 3.462 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -11.163 6.099 2.599 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -14.471 8.170 5.644 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -11.669 5.046 4.778 1.00 0.00 H new ATOM 0 HZ PHE A 47 -13.307 6.090 6.307 1.00 0.00 H new ATOM 752 N ARG A 48 -14.500 9.756 -0.584 1.00 0.00 N ATOM 753 CA ARG A 48 -14.885 10.977 -1.294 1.00 0.00 C ATOM 754 C ARG A 48 -16.086 11.624 -0.646 1.00 0.00 C ATOM 755 O ARG A 48 -17.241 11.395 -1.040 1.00 0.00 O ATOM 756 CB ARG A 48 -15.162 10.639 -2.785 1.00 0.00 C ATOM 757 CG ARG A 48 -15.809 11.788 -3.605 1.00 0.00 C ATOM 758 CD ARG A 48 -15.084 13.127 -3.416 1.00 0.00 C ATOM 759 NE ARG A 48 -15.384 13.992 -4.585 1.00 0.00 N ATOM 760 CZ ARG A 48 -14.595 14.949 -5.057 1.00 0.00 C ATOM 761 NH1 ARG A 48 -13.424 15.239 -4.571 1.00 0.00 N ATOM 762 NH2 ARG A 48 -15.022 15.631 -6.059 1.00 0.00 N ATOM 0 H ARG A 48 -15.285 9.203 -0.241 1.00 0.00 H new ATOM 0 HA ARG A 48 -14.066 11.695 -1.241 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -14.222 10.358 -3.260 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -15.815 9.767 -2.830 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -15.804 11.522 -4.662 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -16.852 11.899 -3.309 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -15.411 13.608 -2.494 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -14.009 12.967 -3.328 1.00 0.00 H new ATOM 0 HE ARG A 48 -16.271 13.838 -5.065 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -13.058 14.716 -3.775 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -12.871 15.989 -4.986 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -15.937 15.428 -6.462 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -14.446 16.376 -6.452 1.00 0.00 H new ATOM 776 N LYS A 49 -15.840 12.424 0.374 1.00 0.00 N ATOM 777 CA LYS A 49 -16.916 13.110 1.087 1.00 0.00 C ATOM 778 C LYS A 49 -17.723 12.118 1.894 1.00 0.00 C ATOM 779 O LYS A 49 -17.829 10.929 1.564 1.00 0.00 O ATOM 780 CB LYS A 49 -17.800 13.884 0.071 1.00 0.00 C ATOM 781 CG LYS A 49 -19.290 13.463 0.084 1.00 0.00 C ATOM 782 CD LYS A 49 -20.149 14.100 -1.012 1.00 0.00 C ATOM 783 CE LYS A 49 -20.150 15.625 -0.840 1.00 0.00 C ATOM 784 NZ LYS A 49 -21.330 16.029 -0.055 1.00 0.00 N ATOM 0 H LYS A 49 -14.905 12.619 0.733 1.00 0.00 H new ATOM 0 HA LYS A 49 -16.494 13.831 1.787 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -17.733 14.951 0.285 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -17.399 13.734 -0.932 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -19.347 12.379 -0.014 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -19.716 13.718 1.054 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -19.759 13.834 -1.995 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -21.168 13.717 -0.959 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -19.238 15.946 -0.337 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -20.164 16.112 -1.815 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -21.332 17.062 0.062 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -22.195 15.735 -0.552 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -21.297 15.575 0.880 1.00 0.00 H new ATOM 798 N GLU A 50 -18.282 12.603 2.991 1.00 0.00 N ATOM 799 CA GLU A 50 -18.995 11.755 3.942 1.00 0.00 C ATOM 800 C GLU A 50 -20.451 11.576 3.577 1.00 0.00 C ATOM 801 O GLU A 50 -21.332 11.530 4.464 1.00 0.00 O ATOM 802 CB GLU A 50 -18.852 12.386 5.357 1.00 0.00 C ATOM 803 CG GLU A 50 -17.412 12.781 5.825 1.00 0.00 C ATOM 804 CD GLU A 50 -17.169 13.002 7.320 1.00 0.00 C ATOM 805 OE1 GLU A 50 -18.055 13.334 8.097 1.00 0.00 O ATOM 806 OE2 GLU A 50 -15.879 12.796 7.702 1.00 0.00 O ATOM 0 H GLU A 50 -18.257 13.589 3.249 1.00 0.00 H new ATOM 0 HA GLU A 50 -18.555 10.758 3.923 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -19.475 13.280 5.392 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -19.261 11.683 6.083 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -16.728 12.002 5.489 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -17.133 13.697 5.304 1.00 0.00 H new ATOM 813 N LYS A 51 -20.765 11.457 2.303 1.00 0.00 N ATOM 814 CA LYS A 51 -22.120 11.118 1.832 1.00 0.00 C ATOM 815 C LYS A 51 -22.197 9.815 1.038 1.00 0.00 C ATOM 816 O LYS A 51 -23.269 9.328 0.666 1.00 0.00 O ATOM 817 CB LYS A 51 -22.624 12.282 0.936 1.00 0.00 C ATOM 818 CG LYS A 51 -24.104 12.669 1.169 1.00 0.00 C ATOM 819 CD LYS A 51 -24.721 13.548 0.077 1.00 0.00 C ATOM 820 CE LYS A 51 -26.249 13.412 0.119 1.00 0.00 C ATOM 821 NZ LYS A 51 -26.664 12.281 -0.729 1.00 0.00 N ATOM 0 H LYS A 51 -20.092 11.591 1.549 1.00 0.00 H new ATOM 0 HA LYS A 51 -22.740 10.974 2.717 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -21.999 13.158 1.112 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -22.494 12.003 -0.110 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -24.693 11.756 1.256 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -24.182 13.191 2.123 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -24.433 14.589 0.226 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -24.345 13.250 -0.902 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -26.583 13.253 1.144 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -26.717 14.333 -0.230 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -27.699 12.188 -0.701 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -26.358 12.451 -1.708 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -26.228 11.405 -0.377 1.00 0.00 H new ATOM 835 N GLU A 52 -21.024 9.252 0.809 1.00 0.00 N ATOM 836 CA GLU A 52 -20.891 7.968 0.132 1.00 0.00 C ATOM 837 C GLU A 52 -19.436 7.585 -0.023 1.00 0.00 C ATOM 838 O GLU A 52 -18.636 8.304 -0.638 1.00 0.00 O ATOM 839 CB GLU A 52 -21.601 8.063 -1.247 1.00 0.00 C ATOM 840 CG GLU A 52 -21.080 7.137 -2.395 1.00 0.00 C ATOM 841 CD GLU A 52 -22.104 6.513 -3.346 1.00 0.00 C ATOM 842 OE1 GLU A 52 -22.654 7.144 -4.239 1.00 0.00 O ATOM 843 OE2 GLU A 52 -22.346 5.195 -3.103 1.00 0.00 O ATOM 0 H GLU A 52 -20.135 9.669 1.086 1.00 0.00 H new ATOM 0 HA GLU A 52 -21.361 7.186 0.729 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -22.659 7.848 -1.096 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -21.532 9.095 -1.590 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -20.378 7.715 -2.996 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -20.515 6.326 -1.937 1.00 0.00 H new ATOM 850 N THR A 53 -19.069 6.443 0.529 1.00 0.00 N ATOM 851 CA THR A 53 -17.690 5.964 0.492 1.00 0.00 C ATOM 852 C THR A 53 -17.614 4.576 -0.099 1.00 0.00 C ATOM 853 O THR A 53 -18.562 3.777 -0.012 1.00 0.00 O ATOM 854 CB THR A 53 -17.060 5.987 1.926 1.00 0.00 C ATOM 855 OG1 THR A 53 -18.051 5.722 2.910 1.00 0.00 O ATOM 856 CG2 THR A 53 -16.420 7.319 2.371 1.00 0.00 C ATOM 0 H THR A 53 -19.713 5.819 1.016 1.00 0.00 H new ATOM 0 HA THR A 53 -17.117 6.635 -0.148 1.00 0.00 H new ATOM 0 HB THR A 53 -16.278 5.231 1.852 1.00 0.00 H new ATOM 0 HG1 THR A 53 -17.641 5.738 3.800 1.00 0.00 H new ATOM 0 HG21 THR A 53 -16.019 7.211 3.379 1.00 0.00 H new ATOM 0 HG22 THR A 53 -15.614 7.582 1.686 1.00 0.00 H new ATOM 0 HG23 THR A 53 -17.174 8.106 2.363 1.00 0.00 H new ATOM 864 N PHE A 54 -16.482 4.244 -0.694 1.00 0.00 N ATOM 865 CA PHE A 54 -16.323 2.964 -1.381 1.00 0.00 C ATOM 866 C PHE A 54 -15.477 2.006 -0.572 1.00 0.00 C ATOM 867 O PHE A 54 -14.247 2.132 -0.478 1.00 0.00 O ATOM 868 CB PHE A 54 -15.645 3.173 -2.769 1.00 0.00 C ATOM 869 CG PHE A 54 -15.504 1.920 -3.650 1.00 0.00 C ATOM 870 CD1 PHE A 54 -14.428 1.046 -3.485 1.00 0.00 C ATOM 871 CD2 PHE A 54 -16.467 1.652 -4.630 1.00 0.00 C ATOM 872 CE1 PHE A 54 -14.312 -0.080 -4.296 1.00 0.00 C ATOM 873 CE2 PHE A 54 -16.348 0.529 -5.442 1.00 0.00 C ATOM 874 CZ PHE A 54 -15.274 -0.341 -5.272 1.00 0.00 C ATOM 0 H PHE A 54 -15.655 4.841 -0.718 1.00 0.00 H new ATOM 0 HA PHE A 54 -17.319 2.540 -1.510 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -16.218 3.918 -3.322 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -14.652 3.591 -2.606 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -13.684 1.243 -2.727 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -17.306 2.320 -4.756 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -13.476 -0.752 -4.169 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -17.088 0.332 -6.204 1.00 0.00 H new ATOM 0 HZ PHE A 54 -15.186 -1.218 -5.896 1.00 0.00 H new ATOM 884 N LYS A 55 -16.133 1.016 0.005 1.00 0.00 N ATOM 885 CA LYS A 55 -15.467 -0.077 0.707 1.00 0.00 C ATOM 886 C LYS A 55 -16.416 -1.235 0.921 1.00 0.00 C ATOM 887 O LYS A 55 -16.702 -1.650 2.053 1.00 0.00 O ATOM 888 CB LYS A 55 -14.903 0.433 2.061 1.00 0.00 C ATOM 889 CG LYS A 55 -15.792 1.496 2.754 1.00 0.00 C ATOM 890 CD LYS A 55 -15.436 1.775 4.218 1.00 0.00 C ATOM 891 CE LYS A 55 -13.961 2.188 4.309 1.00 0.00 C ATOM 892 NZ LYS A 55 -13.741 3.400 3.501 1.00 0.00 N ATOM 0 H LYS A 55 -17.150 0.943 0.002 1.00 0.00 H new ATOM 0 HA LYS A 55 -14.639 -0.435 0.095 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -14.778 -0.416 2.734 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -13.912 0.856 1.894 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -15.723 2.428 2.194 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -16.831 1.170 2.703 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -16.073 2.566 4.615 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -15.615 0.887 4.824 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -13.688 2.375 5.347 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -13.323 1.379 3.953 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -13.122 4.055 4.019 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -13.292 3.140 2.600 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -14.653 3.862 3.313 1.00 0.00 H new ATOM 906 N GLU A 56 -16.903 -1.789 -0.174 1.00 0.00 N ATOM 907 CA GLU A 56 -17.943 -2.815 -0.137 1.00 0.00 C ATOM 908 C GLU A 56 -17.473 -4.065 0.569 1.00 0.00 C ATOM 909 O GLU A 56 -18.271 -4.782 1.205 1.00 0.00 O ATOM 910 CB GLU A 56 -18.380 -3.125 -1.597 1.00 0.00 C ATOM 911 CG GLU A 56 -19.612 -2.340 -2.157 1.00 0.00 C ATOM 912 CD GLU A 56 -19.391 -0.923 -2.692 1.00 0.00 C ATOM 913 OE1 GLU A 56 -18.886 -0.061 -1.767 1.00 0.00 O ATOM 914 OE2 GLU A 56 -19.645 -0.599 -3.844 1.00 0.00 O ATOM 0 H GLU A 56 -16.593 -1.545 -1.115 1.00 0.00 H new ATOM 0 HA GLU A 56 -18.794 -2.442 0.433 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -17.530 -2.932 -2.252 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -18.599 -4.191 -1.665 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -20.047 -2.934 -2.961 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -20.358 -2.283 -1.364 1.00 0.00 H new ATOM 921 N LYS A 57 -16.195 -4.382 0.470 1.00 0.00 N ATOM 922 CA LYS A 57 -15.632 -5.527 1.184 1.00 0.00 C ATOM 923 C LYS A 57 -14.157 -5.338 1.451 1.00 0.00 C ATOM 924 O LYS A 57 -13.475 -4.514 0.825 1.00 0.00 O ATOM 925 CB LYS A 57 -15.886 -6.824 0.366 1.00 0.00 C ATOM 926 CG LYS A 57 -15.363 -6.752 -1.090 1.00 0.00 C ATOM 927 CD LYS A 57 -16.447 -6.563 -2.155 1.00 0.00 C ATOM 928 CE LYS A 57 -15.793 -6.114 -3.468 1.00 0.00 C ATOM 929 NZ LYS A 57 -16.647 -6.511 -4.602 1.00 0.00 N ATOM 0 H LYS A 57 -15.522 -3.866 -0.097 1.00 0.00 H new ATOM 0 HA LYS A 57 -16.126 -5.612 2.152 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -15.409 -7.663 0.873 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -16.956 -7.029 0.349 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -14.653 -5.929 -1.165 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -14.814 -7.668 -1.309 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -16.991 -7.495 -2.306 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -17.173 -5.820 -1.824 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -15.652 -5.033 -3.466 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -14.805 -6.564 -3.567 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -16.205 -6.207 -5.493 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -16.760 -7.545 -4.606 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -17.580 -6.061 -4.508 1.00 0.00 H new ATOM 943 N ASP A 58 -13.633 -6.119 2.379 1.00 0.00 N ATOM 944 CA ASP A 58 -12.254 -5.956 2.834 1.00 0.00 C ATOM 945 C ASP A 58 -11.249 -6.511 1.848 1.00 0.00 C ATOM 946 O ASP A 58 -10.020 -6.407 2.082 1.00 0.00 O ATOM 947 CB ASP A 58 -12.077 -6.597 4.237 1.00 0.00 C ATOM 948 CG ASP A 58 -13.099 -6.203 5.313 1.00 0.00 C ATOM 949 OD1 ASP A 58 -14.162 -6.785 5.472 1.00 0.00 O ATOM 950 OD2 ASP A 58 -12.694 -5.131 6.061 1.00 0.00 O ATOM 0 H ASP A 58 -14.140 -6.877 2.837 1.00 0.00 H new ATOM 0 HA ASP A 58 -12.055 -4.887 2.905 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -12.106 -7.680 4.121 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -11.083 -6.342 4.604 1.00 0.00 H new ATOM 955 N THR A 59 -11.687 -7.120 0.764 1.00 0.00 N ATOM 956 CA THR A 59 -10.766 -7.549 -0.293 1.00 0.00 C ATOM 957 C THR A 59 -9.985 -6.374 -0.825 1.00 0.00 C ATOM 958 O THR A 59 -8.925 -6.528 -1.455 1.00 0.00 O ATOM 959 CB THR A 59 -11.526 -8.265 -1.462 1.00 0.00 C ATOM 960 OG1 THR A 59 -10.601 -8.745 -2.431 1.00 0.00 O ATOM 961 CG2 THR A 59 -12.523 -7.405 -2.269 1.00 0.00 C ATOM 0 H THR A 59 -12.668 -7.332 0.584 1.00 0.00 H new ATOM 0 HA THR A 59 -10.073 -8.266 0.147 1.00 0.00 H new ATOM 0 HB THR A 59 -12.086 -9.039 -0.938 1.00 0.00 H new ATOM 0 HG1 THR A 59 -10.296 -8.000 -2.989 1.00 0.00 H new ATOM 0 HG21 THR A 59 -12.982 -8.015 -3.047 1.00 0.00 H new ATOM 0 HG22 THR A 59 -13.297 -7.023 -1.603 1.00 0.00 H new ATOM 0 HG23 THR A 59 -11.994 -6.569 -2.728 1.00 0.00 H new ATOM 969 N TYR A 60 -10.511 -5.178 -0.640 1.00 0.00 N ATOM 970 CA TYR A 60 -9.763 -3.962 -0.955 1.00 0.00 C ATOM 971 C TYR A 60 -10.186 -2.818 -0.062 1.00 0.00 C ATOM 972 O TYR A 60 -11.047 -1.996 -0.436 1.00 0.00 O ATOM 973 CB TYR A 60 -10.000 -3.521 -2.428 1.00 0.00 C ATOM 974 CG TYR A 60 -9.315 -4.360 -3.513 1.00 0.00 C ATOM 975 CD1 TYR A 60 -9.926 -5.531 -3.972 1.00 0.00 C ATOM 976 CD2 TYR A 60 -8.081 -3.971 -4.041 1.00 0.00 C ATOM 977 CE1 TYR A 60 -9.296 -6.320 -4.930 1.00 0.00 C ATOM 978 CE2 TYR A 60 -7.453 -4.761 -5.002 1.00 0.00 C ATOM 979 CZ TYR A 60 -8.059 -5.936 -5.442 1.00 0.00 C ATOM 980 OH TYR A 60 -7.438 -6.713 -6.378 1.00 0.00 O ATOM 0 H TYR A 60 -11.450 -5.016 -0.275 1.00 0.00 H new ATOM 0 HA TYR A 60 -8.710 -4.195 -0.798 1.00 0.00 H new ATOM 0 HB2 TYR A 60 -11.073 -3.529 -2.618 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -9.665 -2.489 -2.533 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -10.890 -5.824 -3.582 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -7.614 -3.057 -3.704 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -9.766 -7.229 -5.276 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -6.497 -4.463 -5.406 1.00 0.00 H new ATOM 0 HH TYR A 60 -6.471 -6.557 -6.344 1.00 0.00 H new ATOM 990 N LYS A 61 -9.626 -2.730 1.129 1.00 0.00 N ATOM 991 CA LYS A 61 -10.027 -1.708 2.096 1.00 0.00 C ATOM 992 C LYS A 61 -8.998 -0.605 2.182 1.00 0.00 C ATOM 993 O LYS A 61 -7.783 -0.837 2.094 1.00 0.00 O ATOM 994 CB LYS A 61 -10.250 -2.370 3.484 1.00 0.00 C ATOM 995 CG LYS A 61 -10.725 -1.377 4.574 1.00 0.00 C ATOM 996 CD LYS A 61 -11.723 -1.952 5.585 1.00 0.00 C ATOM 997 CE LYS A 61 -10.957 -2.650 6.716 1.00 0.00 C ATOM 998 NZ LYS A 61 -10.882 -1.756 7.885 1.00 0.00 N ATOM 0 H LYS A 61 -8.889 -3.353 1.458 1.00 0.00 H new ATOM 0 HA LYS A 61 -10.961 -1.254 1.763 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -10.987 -3.166 3.383 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -9.320 -2.836 3.809 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -9.853 -1.011 5.116 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -11.181 -0.516 4.086 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -12.346 -1.155 5.991 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -12.390 -2.659 5.092 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -11.457 -3.580 6.988 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -9.954 -2.913 6.381 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -10.363 -2.230 8.651 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -10.387 -0.880 7.621 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -11.843 -1.526 8.209 1.00 0.00 H new ATOM 1012 N LEU A 62 -9.463 0.615 2.378 1.00 0.00 N ATOM 1013 CA LEU A 62 -8.604 1.796 2.438 1.00 0.00 C ATOM 1014 C LEU A 62 -8.355 2.206 3.870 1.00 0.00 C ATOM 1015 O LEU A 62 -9.251 2.110 4.732 1.00 0.00 O ATOM 1016 CB LEU A 62 -9.234 2.964 1.626 1.00 0.00 C ATOM 1017 CG LEU A 62 -8.398 4.259 1.436 1.00 0.00 C ATOM 1018 CD1 LEU A 62 -6.907 3.913 1.323 1.00 0.00 C ATOM 1019 CD2 LEU A 62 -8.836 5.073 0.208 1.00 0.00 C ATOM 0 H LEU A 62 -10.454 0.822 2.502 1.00 0.00 H new ATOM 0 HA LEU A 62 -7.642 1.547 1.990 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -9.488 2.583 0.637 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -10.170 3.240 2.111 1.00 0.00 H new ATOM 0 HG LEU A 62 -8.572 4.880 2.315 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -6.330 4.828 1.190 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -6.581 3.407 2.232 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -6.750 3.257 0.467 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -8.218 5.967 0.124 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -8.721 4.467 -0.690 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -9.881 5.364 0.318 1.00 0.00 H new ATOM 1031 N PHE A 63 -7.164 2.689 4.171 1.00 0.00 N ATOM 1032 CA PHE A 63 -6.835 3.156 5.517 1.00 0.00 C ATOM 1033 C PHE A 63 -6.548 4.640 5.528 1.00 0.00 C ATOM 1034 O PHE A 63 -6.376 5.283 4.483 1.00 0.00 O ATOM 1035 CB PHE A 63 -5.582 2.404 6.061 1.00 0.00 C ATOM 1036 CG PHE A 63 -5.692 0.875 6.177 1.00 0.00 C ATOM 1037 CD1 PHE A 63 -6.781 0.188 5.638 1.00 0.00 C ATOM 1038 CD2 PHE A 63 -4.683 0.161 6.835 1.00 0.00 C ATOM 1039 CE1 PHE A 63 -6.843 -1.201 5.724 1.00 0.00 C ATOM 1040 CE2 PHE A 63 -4.745 -1.226 6.918 1.00 0.00 C ATOM 1041 CZ PHE A 63 -5.822 -1.908 6.356 1.00 0.00 C ATOM 0 H PHE A 63 -6.400 2.771 3.501 1.00 0.00 H new ATOM 0 HA PHE A 63 -7.698 2.954 6.151 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -4.737 2.636 5.412 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -5.346 2.804 7.047 1.00 0.00 H new ATOM 0 HD1 PHE A 63 -7.577 0.734 5.154 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -3.853 0.690 7.280 1.00 0.00 H new ATOM 0 HE1 PHE A 63 -7.683 -1.731 5.300 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -3.959 -1.774 7.417 1.00 0.00 H new ATOM 0 HZ PHE A 63 -5.866 -2.986 6.410 1.00 0.00 H new ATOM 1051 N LYS A 64 -6.470 5.208 6.719 1.00 0.00 N ATOM 1052 CA LYS A 64 -6.204 6.634 6.888 1.00 0.00 C ATOM 1053 C LYS A 64 -4.825 6.995 6.387 1.00 0.00 C ATOM 1054 O LYS A 64 -4.591 8.088 5.848 1.00 0.00 O ATOM 1055 CB LYS A 64 -6.364 7.021 8.384 1.00 0.00 C ATOM 1056 CG LYS A 64 -7.746 6.656 8.979 1.00 0.00 C ATOM 1057 CD LYS A 64 -8.009 7.211 10.382 1.00 0.00 C ATOM 1058 CE LYS A 64 -9.202 6.471 11.003 1.00 0.00 C ATOM 1059 NZ LYS A 64 -8.709 5.364 11.842 1.00 0.00 N ATOM 0 H LYS A 64 -6.588 4.700 7.595 1.00 0.00 H new ATOM 0 HA LYS A 64 -6.926 7.196 6.295 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -5.586 6.524 8.964 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -6.204 8.094 8.491 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -8.523 7.022 8.308 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -7.837 5.570 9.010 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -7.124 7.087 11.007 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -8.216 8.280 10.330 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -9.798 7.159 11.603 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -9.853 6.085 10.219 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -9.516 4.862 12.263 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -8.158 4.704 11.257 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -8.105 5.744 12.598 1.00 0.00 H new ATOM 1073 N ASN A 65 -3.884 6.085 6.553 1.00 0.00 N ATOM 1074 CA ASN A 65 -2.487 6.345 6.213 1.00 0.00 C ATOM 1075 C ASN A 65 -2.181 6.016 4.769 1.00 0.00 C ATOM 1076 O ASN A 65 -1.001 5.821 4.399 1.00 0.00 O ATOM 1077 CB ASN A 65 -1.570 5.515 7.161 1.00 0.00 C ATOM 1078 CG ASN A 65 -1.843 4.009 7.241 1.00 0.00 C ATOM 1079 OD1 ASN A 65 -2.670 3.455 6.531 1.00 0.00 O ATOM 1080 ND2 ASN A 65 -1.161 3.272 8.143 1.00 0.00 N ATOM 0 H ASN A 65 -4.058 5.151 6.924 1.00 0.00 H new ATOM 0 HA ASN A 65 -2.297 7.410 6.344 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -0.537 5.657 6.844 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -1.655 5.930 8.165 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -1.340 2.271 8.223 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -0.467 3.716 8.744 1.00 0.00 H new ATOM 1086 N GLY A 66 -3.180 5.961 3.909 1.00 0.00 N ATOM 1087 CA GLY A 66 -2.959 5.743 2.481 1.00 0.00 C ATOM 1088 C GLY A 66 -2.557 4.322 2.168 1.00 0.00 C ATOM 1089 O GLY A 66 -2.020 4.041 1.071 1.00 0.00 O ATOM 0 H GLY A 66 -4.160 6.064 4.171 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -3.869 5.988 1.934 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -2.183 6.423 2.129 1.00 0.00 H new ATOM 1093 N THR A 67 -2.756 3.390 3.080 1.00 0.00 N ATOM 1094 CA THR A 67 -2.528 1.973 2.799 1.00 0.00 C ATOM 1095 C THR A 67 -3.783 1.316 2.278 1.00 0.00 C ATOM 1096 O THR A 67 -4.913 1.736 2.585 1.00 0.00 O ATOM 1097 CB THR A 67 -2.008 1.237 4.080 1.00 0.00 C ATOM 1098 OG1 THR A 67 -0.585 1.220 4.100 1.00 0.00 O ATOM 1099 CG2 THR A 67 -2.415 -0.244 4.233 1.00 0.00 C ATOM 0 H THR A 67 -3.077 3.583 4.029 1.00 0.00 H new ATOM 0 HA THR A 67 -1.765 1.899 2.025 1.00 0.00 H new ATOM 0 HB THR A 67 -2.469 1.810 4.885 1.00 0.00 H new ATOM 0 HG1 THR A 67 -0.275 0.758 4.907 1.00 0.00 H new ATOM 0 HG21 THR A 67 -1.996 -0.643 5.157 1.00 0.00 H new ATOM 0 HG22 THR A 67 -3.502 -0.321 4.265 1.00 0.00 H new ATOM 0 HG23 THR A 67 -2.035 -0.815 3.386 1.00 0.00 H new ATOM 1107 N LEU A 68 -3.626 0.264 1.499 1.00 0.00 N ATOM 1108 CA LEU A 68 -4.768 -0.480 0.968 1.00 0.00 C ATOM 1109 C LEU A 68 -4.592 -1.967 1.162 1.00 0.00 C ATOM 1110 O LEU A 68 -3.743 -2.611 0.522 1.00 0.00 O ATOM 1111 CB LEU A 68 -4.993 -0.146 -0.535 1.00 0.00 C ATOM 1112 CG LEU A 68 -6.015 -1.010 -1.325 1.00 0.00 C ATOM 1113 CD1 LEU A 68 -7.284 -0.197 -1.613 1.00 0.00 C ATOM 1114 CD2 LEU A 68 -5.439 -1.559 -2.641 1.00 0.00 C ATOM 0 H LEU A 68 -2.717 -0.102 1.215 1.00 0.00 H new ATOM 0 HA LEU A 68 -5.653 -0.173 1.526 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -5.311 0.894 -0.603 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -4.031 -0.219 -1.042 1.00 0.00 H new ATOM 0 HG LEU A 68 -6.256 -1.867 -0.696 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -7.993 -0.813 -2.167 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -7.735 0.119 -0.672 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -7.027 0.682 -2.205 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -6.197 -2.154 -3.150 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -5.139 -0.729 -3.281 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -4.571 -2.183 -2.426 1.00 0.00 H new ATOM 1126 N LYS A 69 -5.400 -2.556 2.024 1.00 0.00 N ATOM 1127 CA LYS A 69 -5.249 -3.967 2.374 1.00 0.00 C ATOM 1128 C LYS A 69 -6.123 -4.836 1.498 1.00 0.00 C ATOM 1129 O LYS A 69 -7.289 -4.532 1.206 1.00 0.00 O ATOM 1130 CB LYS A 69 -5.564 -4.159 3.883 1.00 0.00 C ATOM 1131 CG LYS A 69 -7.026 -4.538 4.219 1.00 0.00 C ATOM 1132 CD LYS A 69 -7.265 -6.032 4.461 1.00 0.00 C ATOM 1133 CE LYS A 69 -7.358 -6.294 5.970 1.00 0.00 C ATOM 1134 NZ LYS A 69 -8.774 -6.386 6.368 1.00 0.00 N ATOM 0 H LYS A 69 -6.170 -2.084 2.498 1.00 0.00 H new ATOM 0 HA LYS A 69 -4.220 -4.278 2.196 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -4.907 -4.935 4.277 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -5.317 -3.236 4.407 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -7.334 -3.987 5.108 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -7.668 -4.210 3.402 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -8.184 -6.349 3.968 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -6.453 -6.616 4.028 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -6.838 -7.218 6.222 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -6.866 -5.492 6.520 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -8.836 -6.564 7.391 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -9.257 -5.493 6.142 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -9.229 -7.166 5.853 1.00 0.00 H new ATOM 1148 N ILE A 70 -5.555 -5.936 1.037 1.00 0.00 N ATOM 1149 CA ILE A 70 -6.251 -6.893 0.175 1.00 0.00 C ATOM 1150 C ILE A 70 -6.293 -8.247 0.847 1.00 0.00 C ATOM 1151 O ILE A 70 -5.262 -8.899 1.063 1.00 0.00 O ATOM 1152 CB ILE A 70 -5.616 -6.933 -1.275 1.00 0.00 C ATOM 1153 CG1 ILE A 70 -5.241 -5.531 -1.857 1.00 0.00 C ATOM 1154 CG2 ILE A 70 -6.521 -7.663 -2.315 1.00 0.00 C ATOM 1155 CD1 ILE A 70 -4.154 -5.519 -2.950 1.00 0.00 C ATOM 0 H ILE A 70 -4.592 -6.198 1.248 1.00 0.00 H new ATOM 0 HA ILE A 70 -7.282 -6.569 0.032 1.00 0.00 H new ATOM 0 HB ILE A 70 -4.696 -7.497 -1.122 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -6.144 -5.077 -2.266 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -4.909 -4.896 -1.036 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -6.032 -7.658 -3.289 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -6.684 -8.692 -1.996 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -7.480 -7.149 -2.387 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -3.978 -4.494 -3.277 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -3.230 -5.936 -2.549 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -4.484 -6.119 -3.798 1.00 0.00 H new ATOM 1167 N LYS A 71 -7.488 -8.681 1.199 1.00 0.00 N ATOM 1168 CA LYS A 71 -7.674 -9.851 2.059 1.00 0.00 C ATOM 1169 C LYS A 71 -7.707 -11.188 1.345 1.00 0.00 C ATOM 1170 O LYS A 71 -8.575 -11.482 0.512 1.00 0.00 O ATOM 1171 CB LYS A 71 -9.001 -9.656 2.860 1.00 0.00 C ATOM 1172 CG LYS A 71 -8.919 -10.180 4.314 1.00 0.00 C ATOM 1173 CD LYS A 71 -9.327 -11.645 4.495 1.00 0.00 C ATOM 1174 CE LYS A 71 -9.054 -12.070 5.945 1.00 0.00 C ATOM 1175 NZ LYS A 71 -10.151 -11.598 6.808 1.00 0.00 N ATOM 0 H LYS A 71 -8.359 -8.240 0.902 1.00 0.00 H new ATOM 0 HA LYS A 71 -6.796 -9.901 2.703 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -9.255 -8.596 2.877 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -9.810 -10.170 2.341 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -7.897 -10.056 4.673 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -9.556 -9.560 4.945 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -10.383 -11.772 4.259 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -8.768 -12.278 3.806 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -8.968 -13.155 6.008 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -8.105 -11.655 6.285 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -9.968 -11.885 7.791 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -10.212 -10.561 6.756 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -11.049 -12.014 6.487 1.00 0.00 H new ATOM 1189 N HIS A 72 -6.767 -12.054 1.695 1.00 0.00 N ATOM 1190 CA HIS A 72 -6.744 -13.455 1.287 1.00 0.00 C ATOM 1191 C HIS A 72 -6.931 -13.636 -0.200 1.00 0.00 C ATOM 1192 O HIS A 72 -8.046 -13.871 -0.690 1.00 0.00 O ATOM 1193 CB HIS A 72 -7.905 -14.128 2.051 1.00 0.00 C ATOM 1194 CG HIS A 72 -8.265 -15.480 1.508 1.00 0.00 C ATOM 1195 ND1 HIS A 72 -7.424 -16.589 1.450 1.00 0.00 N ATOM 1196 CD2 HIS A 72 -9.518 -15.765 0.982 1.00 0.00 C ATOM 1197 CE1 HIS A 72 -8.255 -17.477 0.872 1.00 0.00 C ATOM 1198 NE2 HIS A 72 -9.516 -17.071 0.566 1.00 0.00 N ATOM 0 H HIS A 72 -5.977 -11.797 2.287 1.00 0.00 H new ATOM 0 HA HIS A 72 -5.774 -13.895 1.516 1.00 0.00 H new ATOM 0 HB2 HIS A 72 -7.631 -14.227 3.101 1.00 0.00 H new ATOM 0 HB3 HIS A 72 -8.782 -13.482 2.009 1.00 0.00 H new ATOM 0 HD2 HIS A 72 -10.349 -15.078 0.913 1.00 0.00 H new ATOM 0 HE1 HIS A 72 -7.929 -18.484 0.657 1.00 0.00 H new ATOM 0 HE2 HIS A 72 -10.271 -17.604 0.135 1.00 0.00 H new ATOM 1207 N LEU A 73 -5.838 -13.577 -0.947 1.00 0.00 N ATOM 1208 CA LEU A 73 -5.890 -13.799 -2.387 1.00 0.00 C ATOM 1209 C LEU A 73 -4.554 -14.222 -2.994 1.00 0.00 C ATOM 1210 O LEU A 73 -3.454 -14.119 -2.442 1.00 0.00 O ATOM 1211 CB LEU A 73 -6.429 -12.541 -3.120 1.00 0.00 C ATOM 1212 CG LEU A 73 -7.798 -11.949 -2.683 1.00 0.00 C ATOM 1213 CD1 LEU A 73 -8.007 -10.567 -3.319 1.00 0.00 C ATOM 1214 CD2 LEU A 73 -8.982 -12.861 -3.052 1.00 0.00 C ATOM 0 H LEU A 73 -4.906 -13.378 -0.582 1.00 0.00 H new ATOM 0 HA LEU A 73 -6.576 -14.634 -2.531 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -5.682 -11.754 -3.018 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -6.497 -12.781 -4.181 1.00 0.00 H new ATOM 0 HG LEU A 73 -7.770 -11.864 -1.597 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -8.970 -10.164 -3.005 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -7.210 -9.895 -3.000 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -7.990 -10.660 -4.405 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -9.913 -12.399 -2.724 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -9.009 -13.003 -4.132 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -8.864 -13.827 -2.562 1.00 0.00 H new ATOM 1226 N LYS A 74 -4.653 -14.675 -4.237 1.00 0.00 N ATOM 1227 CA LYS A 74 -3.600 -15.341 -5.001 1.00 0.00 C ATOM 1228 C LYS A 74 -3.122 -14.549 -6.201 1.00 0.00 C ATOM 1229 O LYS A 74 -2.809 -13.354 -6.137 1.00 0.00 O ATOM 1230 CB LYS A 74 -4.169 -16.753 -5.393 1.00 0.00 C ATOM 1231 CG LYS A 74 -5.332 -16.712 -6.412 1.00 0.00 C ATOM 1232 CD LYS A 74 -6.422 -17.768 -6.185 1.00 0.00 C ATOM 1233 CE LYS A 74 -5.836 -19.167 -6.416 1.00 0.00 C ATOM 1234 NZ LYS A 74 -5.388 -19.730 -5.129 1.00 0.00 N ATOM 0 H LYS A 74 -5.517 -14.584 -4.771 1.00 0.00 H new ATOM 0 HA LYS A 74 -2.700 -15.435 -4.393 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -3.360 -17.355 -5.807 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -4.511 -17.257 -4.489 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -5.791 -15.724 -6.380 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -4.923 -16.841 -7.414 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -6.814 -17.689 -5.171 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -7.257 -17.595 -6.864 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -6.585 -19.817 -6.868 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -4.999 -19.112 -7.112 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -5.377 -20.768 -5.189 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -4.431 -19.385 -4.914 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -6.040 -19.434 -4.375 1.00 0.00 H new ATOM 1248 N THR A 75 -2.988 -15.253 -7.311 1.00 0.00 N ATOM 1249 CA THR A 75 -2.674 -14.645 -8.600 1.00 0.00 C ATOM 1250 C THR A 75 -3.759 -13.674 -9.010 1.00 0.00 C ATOM 1251 O THR A 75 -3.555 -12.726 -9.781 1.00 0.00 O ATOM 1252 CB THR A 75 -2.476 -15.744 -9.697 1.00 0.00 C ATOM 1253 OG1 THR A 75 -1.426 -16.630 -9.332 1.00 0.00 O ATOM 1254 CG2 THR A 75 -2.091 -15.245 -11.106 1.00 0.00 C ATOM 0 H THR A 75 -3.094 -16.267 -7.348 1.00 0.00 H new ATOM 0 HA THR A 75 -1.740 -14.092 -8.497 1.00 0.00 H new ATOM 0 HB THR A 75 -3.463 -16.204 -9.748 1.00 0.00 H new ATOM 0 HG1 THR A 75 -1.317 -17.312 -10.028 1.00 0.00 H new ATOM 0 HG21 THR A 75 -1.982 -16.097 -11.777 1.00 0.00 H new ATOM 0 HG22 THR A 75 -2.871 -14.583 -11.483 1.00 0.00 H new ATOM 0 HG23 THR A 75 -1.148 -14.701 -11.054 1.00 0.00 H new ATOM 1262 N ASP A 76 -4.954 -13.914 -8.487 1.00 0.00 N ATOM 1263 CA ASP A 76 -6.082 -13.005 -8.665 1.00 0.00 C ATOM 1264 C ASP A 76 -5.856 -11.715 -7.908 1.00 0.00 C ATOM 1265 O ASP A 76 -6.302 -10.625 -8.291 1.00 0.00 O ATOM 1266 CB ASP A 76 -7.406 -13.694 -8.248 1.00 0.00 C ATOM 1267 CG ASP A 76 -7.753 -15.014 -8.952 1.00 0.00 C ATOM 1268 OD1 ASP A 76 -7.619 -14.941 -10.311 1.00 0.00 O ATOM 1269 OD2 ASP A 76 -8.129 -16.011 -8.353 1.00 0.00 O ATOM 0 H ASP A 76 -5.170 -14.740 -7.929 1.00 0.00 H new ATOM 0 HA ASP A 76 -6.162 -12.751 -9.722 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -7.368 -13.881 -7.175 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -8.222 -12.993 -8.420 1.00 0.00 H new ATOM 1274 N ASP A 77 -5.149 -11.831 -6.794 1.00 0.00 N ATOM 1275 CA ASP A 77 -4.708 -10.679 -6.015 1.00 0.00 C ATOM 1276 C ASP A 77 -3.646 -9.883 -6.737 1.00 0.00 C ATOM 1277 O ASP A 77 -3.445 -8.683 -6.449 1.00 0.00 O ATOM 1278 CB ASP A 77 -4.222 -11.135 -4.612 1.00 0.00 C ATOM 1279 CG ASP A 77 -2.902 -10.531 -4.108 1.00 0.00 C ATOM 1280 OD1 ASP A 77 -3.063 -9.284 -3.571 1.00 0.00 O ATOM 1281 OD2 ASP A 77 -1.833 -11.121 -4.166 1.00 0.00 O ATOM 0 H ASP A 77 -4.863 -12.728 -6.402 1.00 0.00 H new ATOM 0 HA ASP A 77 -5.561 -10.014 -5.885 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -5.002 -10.899 -3.888 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -4.117 -12.220 -4.625 1.00 0.00 H new ATOM 1286 N GLN A 78 -2.925 -10.495 -7.656 1.00 0.00 N ATOM 1287 CA GLN A 78 -1.810 -9.827 -8.329 1.00 0.00 C ATOM 1288 C GLN A 78 -2.303 -8.972 -9.472 1.00 0.00 C ATOM 1289 O GLN A 78 -2.427 -9.411 -10.625 1.00 0.00 O ATOM 1290 CB GLN A 78 -0.811 -10.901 -8.814 1.00 0.00 C ATOM 1291 CG GLN A 78 0.219 -10.467 -9.910 1.00 0.00 C ATOM 1292 CD GLN A 78 1.017 -11.548 -10.651 1.00 0.00 C ATOM 1293 OE1 GLN A 78 2.182 -11.368 -10.966 1.00 0.00 O ATOM 1294 NE2 GLN A 78 0.456 -12.696 -10.933 1.00 0.00 N ATOM 0 H GLN A 78 -3.086 -11.455 -7.959 1.00 0.00 H new ATOM 0 HA GLN A 78 -1.306 -9.158 -7.631 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -0.254 -11.262 -7.949 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -1.382 -11.745 -9.200 1.00 0.00 H new ATOM 0 HG2 GLN A 78 -0.321 -9.886 -10.658 1.00 0.00 H new ATOM 0 HG3 GLN A 78 0.935 -9.793 -9.440 1.00 0.00 H new ATOM 0 HE21 GLN A 78 -0.517 -12.865 -10.677 1.00 0.00 H new ATOM 0 HE22 GLN A 78 0.992 -13.422 -11.408 1.00 0.00 H new ATOM 1303 N ASP A 79 -2.608 -7.724 -9.160 1.00 0.00 N ATOM 1304 CA ASP A 79 -3.021 -6.740 -10.156 1.00 0.00 C ATOM 1305 C ASP A 79 -2.124 -5.525 -10.117 1.00 0.00 C ATOM 1306 O ASP A 79 -1.267 -5.361 -9.235 1.00 0.00 O ATOM 1307 CB ASP A 79 -4.512 -6.363 -9.954 1.00 0.00 C ATOM 1308 CG ASP A 79 -5.552 -7.438 -10.299 1.00 0.00 C ATOM 1309 OD1 ASP A 79 -5.223 -8.672 -9.809 1.00 0.00 O ATOM 1310 OD2 ASP A 79 -6.574 -7.200 -10.927 1.00 0.00 O ATOM 0 H ASP A 79 -2.577 -7.360 -8.208 1.00 0.00 H new ATOM 0 HA ASP A 79 -2.921 -7.181 -11.148 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -4.652 -6.078 -8.911 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -4.724 -5.480 -10.557 1.00 0.00 H new ATOM 1315 N ILE A 80 -2.323 -4.632 -11.068 1.00 0.00 N ATOM 1316 CA ILE A 80 -1.620 -3.351 -11.081 1.00 0.00 C ATOM 1317 C ILE A 80 -2.491 -2.266 -10.485 1.00 0.00 C ATOM 1318 O ILE A 80 -3.686 -2.143 -10.792 1.00 0.00 O ATOM 1319 CB ILE A 80 -1.096 -3.013 -12.538 1.00 0.00 C ATOM 1320 CG1 ILE A 80 -0.468 -4.227 -13.298 1.00 0.00 C ATOM 1321 CG2 ILE A 80 -0.062 -1.846 -12.558 1.00 0.00 C ATOM 1322 CD1 ILE A 80 -1.223 -4.704 -14.555 1.00 0.00 C ATOM 0 H ILE A 80 -2.967 -4.766 -11.847 1.00 0.00 H new ATOM 0 HA ILE A 80 -0.734 -3.416 -10.450 1.00 0.00 H new ATOM 0 HB ILE A 80 -2.006 -2.714 -13.059 1.00 0.00 H new ATOM 0 HG12 ILE A 80 0.548 -3.961 -13.588 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -0.393 -5.064 -12.604 1.00 0.00 H new ATOM 0 HG21 ILE A 80 0.259 -1.662 -13.583 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -0.523 -0.944 -12.155 1.00 0.00 H new ATOM 0 HG23 ILE A 80 0.802 -2.115 -11.950 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -0.695 -5.549 -14.998 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -2.232 -5.010 -14.279 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -1.276 -3.890 -15.278 1.00 0.00 H new ATOM 1334 N TYR A 81 -1.917 -1.472 -9.600 1.00 0.00 N ATOM 1335 CA TYR A 81 -2.641 -0.489 -8.801 1.00 0.00 C ATOM 1336 C TYR A 81 -2.026 0.886 -8.904 1.00 0.00 C ATOM 1337 O TYR A 81 -0.908 1.083 -9.398 1.00 0.00 O ATOM 1338 CB TYR A 81 -2.631 -0.911 -7.295 1.00 0.00 C ATOM 1339 CG TYR A 81 -3.216 -2.300 -7.012 1.00 0.00 C ATOM 1340 CD1 TYR A 81 -2.472 -3.438 -7.331 1.00 0.00 C ATOM 1341 CD2 TYR A 81 -4.487 -2.438 -6.451 1.00 0.00 C ATOM 1342 CE1 TYR A 81 -2.950 -4.701 -6.995 1.00 0.00 C ATOM 1343 CE2 TYR A 81 -4.965 -3.703 -6.116 1.00 0.00 C ATOM 1344 CZ TYR A 81 -4.195 -4.831 -6.385 1.00 0.00 C ATOM 1345 OH TYR A 81 -4.666 -6.071 -6.054 1.00 0.00 O ATOM 0 H TYR A 81 -0.915 -1.489 -9.410 1.00 0.00 H new ATOM 0 HA TYR A 81 -3.659 -0.452 -9.189 1.00 0.00 H new ATOM 0 HB2 TYR A 81 -1.604 -0.884 -6.932 1.00 0.00 H new ATOM 0 HB3 TYR A 81 -3.191 -0.173 -6.722 1.00 0.00 H new ATOM 0 HD1 TYR A 81 -1.524 -3.338 -7.839 1.00 0.00 H new ATOM 0 HD2 TYR A 81 -5.099 -1.565 -6.277 1.00 0.00 H new ATOM 0 HE1 TYR A 81 -2.357 -5.578 -7.207 1.00 0.00 H new ATOM 0 HE2 TYR A 81 -5.933 -3.808 -5.648 1.00 0.00 H new ATOM 0 HH TYR A 81 -4.016 -6.752 -6.328 1.00 0.00 H new ATOM 1355 N LYS A 82 -2.778 1.876 -8.453 1.00 0.00 N ATOM 1356 CA LYS A 82 -2.290 3.245 -8.333 1.00 0.00 C ATOM 1357 C LYS A 82 -2.963 3.948 -7.179 1.00 0.00 C ATOM 1358 O LYS A 82 -4.185 3.848 -6.978 1.00 0.00 O ATOM 1359 CB LYS A 82 -2.527 4.021 -9.659 1.00 0.00 C ATOM 1360 CG LYS A 82 -2.191 5.529 -9.544 1.00 0.00 C ATOM 1361 CD LYS A 82 -3.046 6.463 -10.405 1.00 0.00 C ATOM 1362 CE LYS A 82 -2.252 6.861 -11.656 1.00 0.00 C ATOM 1363 NZ LYS A 82 -2.953 7.952 -12.356 1.00 0.00 N ATOM 0 H LYS A 82 -3.747 1.756 -8.158 1.00 0.00 H new ATOM 0 HA LYS A 82 -1.218 3.215 -8.137 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -1.919 3.578 -10.447 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -3.569 3.908 -9.959 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -2.295 5.828 -8.501 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -1.144 5.672 -9.813 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -3.974 5.967 -10.691 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -3.322 7.351 -9.836 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -1.248 7.180 -11.376 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -2.141 6.002 -12.318 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -2.415 8.222 -13.204 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -3.902 7.632 -12.635 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -3.037 8.773 -11.723 1.00 0.00 H new ATOM 1377 N VAL A 83 -2.186 4.657 -6.380 1.00 0.00 N ATOM 1378 CA VAL A 83 -2.704 5.286 -5.169 1.00 0.00 C ATOM 1379 C VAL A 83 -2.749 6.790 -5.321 1.00 0.00 C ATOM 1380 O VAL A 83 -1.732 7.495 -5.348 1.00 0.00 O ATOM 1381 CB VAL A 83 -1.831 4.862 -3.921 1.00 0.00 C ATOM 1382 CG1 VAL A 83 -0.296 5.069 -4.048 1.00 0.00 C ATOM 1383 CG2 VAL A 83 -2.231 5.568 -2.603 1.00 0.00 C ATOM 0 H VAL A 83 -1.192 4.814 -6.545 1.00 0.00 H new ATOM 0 HA VAL A 83 -3.725 4.942 -5.005 1.00 0.00 H new ATOM 0 HB VAL A 83 -2.051 3.795 -3.897 1.00 0.00 H new ATOM 0 HG11 VAL A 83 0.192 4.742 -3.130 1.00 0.00 H new ATOM 0 HG12 VAL A 83 0.082 4.486 -4.888 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -0.084 6.125 -4.215 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -1.585 5.223 -1.795 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -2.122 6.646 -2.720 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -3.268 5.332 -2.364 1.00 0.00 H new ATOM 1393 N SER A 84 -3.961 7.314 -5.402 1.00 0.00 N ATOM 1394 CA SER A 84 -4.220 8.744 -5.540 1.00 0.00 C ATOM 1395 C SER A 84 -4.965 9.259 -4.330 1.00 0.00 C ATOM 1396 O SER A 84 -6.047 8.746 -3.980 1.00 0.00 O ATOM 1397 CB SER A 84 -4.979 9.039 -6.859 1.00 0.00 C ATOM 1398 OG SER A 84 -5.389 7.850 -7.543 1.00 0.00 O ATOM 0 H SER A 84 -4.810 6.750 -5.373 1.00 0.00 H new ATOM 0 HA SER A 84 -3.269 9.274 -5.592 1.00 0.00 H new ATOM 0 HB2 SER A 84 -5.857 9.647 -6.639 1.00 0.00 H new ATOM 0 HB3 SER A 84 -4.340 9.628 -7.516 1.00 0.00 H new ATOM 0 HG SER A 84 -5.864 8.093 -8.365 1.00 0.00 H new ATOM 1404 N ILE A 85 -4.415 10.250 -3.655 1.00 0.00 N ATOM 1405 CA ILE A 85 -4.978 10.694 -2.377 1.00 0.00 C ATOM 1406 C ILE A 85 -4.926 12.201 -2.280 1.00 0.00 C ATOM 1407 O ILE A 85 -3.823 12.801 -2.290 1.00 0.00 O ATOM 1408 CB ILE A 85 -4.283 9.952 -1.165 1.00 0.00 C ATOM 1409 CG1 ILE A 85 -3.739 8.514 -1.504 1.00 0.00 C ATOM 1410 CG2 ILE A 85 -5.203 9.860 0.094 1.00 0.00 C ATOM 1411 CD1 ILE A 85 -2.276 8.473 -1.993 1.00 0.00 C ATOM 0 H ILE A 85 -3.588 10.764 -3.959 1.00 0.00 H new ATOM 0 HA ILE A 85 -6.031 10.417 -2.326 1.00 0.00 H new ATOM 0 HB ILE A 85 -3.424 10.585 -0.944 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -3.828 7.889 -0.616 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -4.376 8.072 -2.270 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -4.674 9.341 0.894 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -5.468 10.864 0.425 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -6.110 9.310 -0.157 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -1.991 7.442 -2.201 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -2.179 9.067 -2.902 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -1.623 8.881 -1.222 1.00 0.00 H new ATOM 1423 N TYR A 86 -6.050 12.879 -2.171 1.00 0.00 N ATOM 1424 CA TYR A 86 -6.159 14.315 -2.323 1.00 0.00 C ATOM 1425 C TYR A 86 -6.839 14.931 -1.106 1.00 0.00 C ATOM 1426 O TYR A 86 -7.412 14.248 -0.248 1.00 0.00 O ATOM 1427 CB TYR A 86 -6.942 14.744 -3.574 1.00 0.00 C ATOM 1428 CG TYR A 86 -7.051 13.732 -4.728 1.00 0.00 C ATOM 1429 CD1 TYR A 86 -6.025 12.800 -4.936 1.00 0.00 C ATOM 1430 CD2 TYR A 86 -8.152 13.745 -5.588 1.00 0.00 C ATOM 1431 CE1 TYR A 86 -6.058 11.960 -6.046 1.00 0.00 C ATOM 1432 CE2 TYR A 86 -8.181 12.908 -6.700 1.00 0.00 C ATOM 1433 CZ TYR A 86 -7.129 12.024 -6.934 1.00 0.00 C ATOM 1434 OH TYR A 86 -7.150 11.210 -8.030 1.00 0.00 O ATOM 0 H TYR A 86 -6.943 12.430 -1.967 1.00 0.00 H new ATOM 0 HA TYR A 86 -5.135 14.674 -2.427 1.00 0.00 H new ATOM 0 HB2 TYR A 86 -7.953 15.009 -3.263 1.00 0.00 H new ATOM 0 HB3 TYR A 86 -6.480 15.651 -3.965 1.00 0.00 H new ATOM 0 HD1 TYR A 86 -5.207 12.733 -4.234 1.00 0.00 H new ATOM 0 HD2 TYR A 86 -8.983 14.406 -5.390 1.00 0.00 H new ATOM 0 HE1 TYR A 86 -5.254 11.260 -6.218 1.00 0.00 H new ATOM 0 HE2 TYR A 86 -9.018 12.944 -7.381 1.00 0.00 H new ATOM 0 HH TYR A 86 -7.966 11.378 -8.547 1.00 0.00 H new ATOM 1444 N ASP A 87 -6.736 16.245 -1.012 1.00 0.00 N ATOM 1445 CA ASP A 87 -7.233 16.983 0.148 1.00 0.00 C ATOM 1446 C ASP A 87 -8.723 17.212 0.047 1.00 0.00 C ATOM 1447 O ASP A 87 -9.417 16.655 -0.820 1.00 0.00 O ATOM 1448 CB ASP A 87 -6.450 18.313 0.321 1.00 0.00 C ATOM 1449 CG ASP A 87 -6.139 19.111 -0.954 1.00 0.00 C ATOM 1450 OD1 ASP A 87 -7.156 19.946 -1.323 1.00 0.00 O ATOM 1451 OD2 ASP A 87 -5.077 19.020 -1.552 1.00 0.00 O ATOM 0 H ASP A 87 -6.310 16.832 -1.729 1.00 0.00 H new ATOM 0 HA ASP A 87 -7.063 16.383 1.042 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -7.019 18.956 0.992 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -5.506 18.088 0.818 1.00 0.00 H new ATOM 1456 N THR A 88 -9.259 18.018 0.946 1.00 0.00 N ATOM 1457 CA THR A 88 -10.675 18.381 0.916 1.00 0.00 C ATOM 1458 C THR A 88 -11.074 18.963 -0.420 1.00 0.00 C ATOM 1459 O THR A 88 -12.156 18.669 -0.959 1.00 0.00 O ATOM 1460 CB THR A 88 -11.010 19.386 2.070 1.00 0.00 C ATOM 1461 OG1 THR A 88 -10.611 20.703 1.713 1.00 0.00 O ATOM 1462 CG2 THR A 88 -10.320 19.127 3.427 1.00 0.00 C ATOM 0 H THR A 88 -8.735 18.439 1.713 1.00 0.00 H new ATOM 0 HA THR A 88 -11.251 17.467 1.065 1.00 0.00 H new ATOM 0 HB THR A 88 -12.085 19.252 2.194 1.00 0.00 H new ATOM 0 HG1 THR A 88 -10.828 21.320 2.443 1.00 0.00 H new ATOM 0 HG21 THR A 88 -10.630 19.887 4.144 1.00 0.00 H new ATOM 0 HG22 THR A 88 -10.604 18.142 3.797 1.00 0.00 H new ATOM 0 HG23 THR A 88 -9.238 19.169 3.299 1.00 0.00 H new ATOM 1470 N LYS A 89 -10.221 19.793 -0.991 1.00 0.00 N ATOM 1471 CA LYS A 89 -10.553 20.531 -2.208 1.00 0.00 C ATOM 1472 C LYS A 89 -10.148 19.785 -3.459 1.00 0.00 C ATOM 1473 O LYS A 89 -9.861 20.398 -4.508 1.00 0.00 O ATOM 1474 CB LYS A 89 -9.865 21.926 -2.160 1.00 0.00 C ATOM 1475 CG LYS A 89 -10.419 22.854 -1.050 1.00 0.00 C ATOM 1476 CD LYS A 89 -11.567 23.768 -1.489 1.00 0.00 C ATOM 1477 CE LYS A 89 -12.903 23.126 -1.093 1.00 0.00 C ATOM 1478 NZ LYS A 89 -13.985 23.705 -1.910 1.00 0.00 N ATOM 0 H LYS A 89 -9.284 19.978 -0.632 1.00 0.00 H new ATOM 0 HA LYS A 89 -11.636 20.649 -2.250 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -8.795 21.789 -2.006 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -9.988 22.416 -3.126 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -10.762 22.238 -0.219 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -9.604 23.473 -0.674 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -11.467 24.747 -1.021 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -11.531 23.925 -2.567 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -12.859 22.047 -1.240 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -13.101 23.295 -0.035 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -14.892 23.271 -1.643 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -14.031 24.731 -1.748 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -13.796 23.522 -2.916 1.00 0.00 H new ATOM 1492 N GLY A 90 -10.128 18.467 -3.412 1.00 0.00 N ATOM 1493 CA GLY A 90 -9.881 17.655 -4.601 1.00 0.00 C ATOM 1494 C GLY A 90 -8.517 17.919 -5.192 1.00 0.00 C ATOM 1495 O GLY A 90 -8.276 17.685 -6.392 1.00 0.00 O ATOM 0 H GLY A 90 -10.280 17.927 -2.560 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -9.966 16.599 -4.343 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -10.647 17.864 -5.348 1.00 0.00 H new ATOM 1499 N LYS A 91 -7.595 18.417 -4.391 1.00 0.00 N ATOM 1500 CA LYS A 91 -6.258 18.758 -4.871 1.00 0.00 C ATOM 1501 C LYS A 91 -5.308 17.593 -4.737 1.00 0.00 C ATOM 1502 O LYS A 91 -4.843 17.268 -3.626 1.00 0.00 O ATOM 1503 CB LYS A 91 -5.722 19.982 -4.072 1.00 0.00 C ATOM 1504 CG LYS A 91 -5.481 21.231 -4.953 1.00 0.00 C ATOM 1505 CD LYS A 91 -6.143 22.517 -4.449 1.00 0.00 C ATOM 1506 CE LYS A 91 -5.441 23.726 -5.084 1.00 0.00 C ATOM 1507 NZ LYS A 91 -6.102 24.064 -6.357 1.00 0.00 N ATOM 0 H LYS A 91 -7.743 18.597 -3.398 1.00 0.00 H new ATOM 0 HA LYS A 91 -6.325 19.007 -5.930 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -6.433 20.233 -3.285 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -4.788 19.706 -3.582 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -4.407 21.400 -5.031 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -5.845 21.023 -5.959 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -7.202 22.520 -4.705 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -6.078 22.572 -3.362 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -5.477 24.578 -4.406 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -4.389 23.500 -5.257 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -5.627 24.883 -6.788 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -6.046 23.251 -7.004 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -7.100 24.297 -6.179 1.00 0.00 H new ATOM 1521 N ASN A 92 -5.007 16.926 -5.834 1.00 0.00 N ATOM 1522 CA ASN A 92 -4.039 15.831 -5.821 1.00 0.00 C ATOM 1523 C ASN A 92 -2.739 16.265 -5.183 1.00 0.00 C ATOM 1524 O ASN A 92 -1.897 16.935 -5.798 1.00 0.00 O ATOM 1525 CB ASN A 92 -3.798 15.337 -7.276 1.00 0.00 C ATOM 1526 CG ASN A 92 -3.919 16.383 -8.392 1.00 0.00 C ATOM 1527 OD1 ASN A 92 -2.995 17.120 -8.700 1.00 0.00 O ATOM 1528 ND2 ASN A 92 -5.052 16.488 -9.033 1.00 0.00 N ATOM 0 H ASN A 92 -5.415 17.118 -6.749 1.00 0.00 H new ATOM 0 HA ASN A 92 -4.441 15.011 -5.225 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -2.800 14.901 -7.326 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -4.506 14.535 -7.484 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -5.155 17.177 -9.778 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -5.834 15.881 -8.789 1.00 0.00 H new ATOM 1535 N VAL A 93 -2.567 15.905 -3.925 1.00 0.00 N ATOM 1536 CA VAL A 93 -1.375 16.271 -3.162 1.00 0.00 C ATOM 1537 C VAL A 93 -0.251 15.275 -3.360 1.00 0.00 C ATOM 1538 O VAL A 93 0.943 15.595 -3.295 1.00 0.00 O ATOM 1539 CB VAL A 93 -1.744 16.394 -1.631 1.00 0.00 C ATOM 1540 CG1 VAL A 93 -2.789 17.485 -1.261 1.00 0.00 C ATOM 1541 CG2 VAL A 93 -2.276 15.079 -1.009 1.00 0.00 C ATOM 0 H VAL A 93 -3.244 15.352 -3.399 1.00 0.00 H new ATOM 0 HA VAL A 93 -1.019 17.234 -3.529 1.00 0.00 H new ATOM 0 HB VAL A 93 -0.773 16.674 -1.222 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -2.961 17.474 -0.185 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -2.414 18.464 -1.559 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -3.726 17.282 -1.780 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -2.508 15.242 0.044 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -3.178 14.767 -1.535 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -1.517 14.302 -1.097 1.00 0.00 H new ATOM 1551 N LEU A 94 -0.645 14.038 -3.631 1.00 0.00 N ATOM 1552 CA LEU A 94 0.314 12.984 -3.944 1.00 0.00 C ATOM 1553 C LEU A 94 -0.318 11.880 -4.762 1.00 0.00 C ATOM 1554 O LEU A 94 -1.476 11.480 -4.571 1.00 0.00 O ATOM 1555 CB LEU A 94 0.944 12.417 -2.640 1.00 0.00 C ATOM 1556 CG LEU A 94 1.555 10.990 -2.685 1.00 0.00 C ATOM 1557 CD1 LEU A 94 2.547 10.733 -1.539 1.00 0.00 C ATOM 1558 CD2 LEU A 94 0.439 9.937 -2.649 1.00 0.00 C ATOM 0 H LEU A 94 -1.620 13.739 -3.641 1.00 0.00 H new ATOM 0 HA LEU A 94 1.106 13.424 -4.550 1.00 0.00 H new ATOM 0 HB2 LEU A 94 1.727 13.105 -2.321 1.00 0.00 H new ATOM 0 HB3 LEU A 94 0.176 12.427 -1.867 1.00 0.00 H new ATOM 0 HG LEU A 94 2.111 10.913 -3.619 1.00 0.00 H new ATOM 0 HD11 LEU A 94 2.943 9.721 -1.620 1.00 0.00 H new ATOM 0 HD12 LEU A 94 3.367 11.449 -1.600 1.00 0.00 H new ATOM 0 HD13 LEU A 94 2.036 10.847 -0.583 1.00 0.00 H new ATOM 0 HD21 LEU A 94 0.878 8.940 -2.681 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -0.138 10.050 -1.731 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -0.217 10.072 -3.509 1.00 0.00 H new ATOM 1570 N GLU A 95 0.465 11.349 -5.688 1.00 0.00 N ATOM 1571 CA GLU A 95 0.024 10.283 -6.582 1.00 0.00 C ATOM 1572 C GLU A 95 1.166 9.349 -6.909 1.00 0.00 C ATOM 1573 O GLU A 95 2.293 9.775 -7.207 1.00 0.00 O ATOM 1574 CB GLU A 95 -0.561 10.930 -7.868 1.00 0.00 C ATOM 1575 CG GLU A 95 -1.148 9.972 -8.957 1.00 0.00 C ATOM 1576 CD GLU A 95 -1.263 10.488 -10.393 1.00 0.00 C ATOM 1577 OE1 GLU A 95 -2.424 11.154 -10.645 1.00 0.00 O ATOM 1578 OE2 GLU A 95 -0.390 10.318 -11.234 1.00 0.00 O ATOM 0 H GLU A 95 1.429 11.645 -5.843 1.00 0.00 H new ATOM 0 HA GLU A 95 -0.746 9.685 -6.094 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -1.349 11.621 -7.568 1.00 0.00 H new ATOM 0 HB3 GLU A 95 0.225 11.525 -8.332 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -0.532 9.073 -8.975 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -2.144 9.670 -8.632 1.00 0.00 H new ATOM 1585 N LYS A 96 0.904 8.057 -6.839 1.00 0.00 N ATOM 1586 CA LYS A 96 1.943 7.043 -7.004 1.00 0.00 C ATOM 1587 C LYS A 96 1.372 5.788 -7.625 1.00 0.00 C ATOM 1588 O LYS A 96 0.147 5.587 -7.673 1.00 0.00 O ATOM 1589 CB LYS A 96 2.598 6.743 -5.628 1.00 0.00 C ATOM 1590 CG LYS A 96 3.523 7.880 -5.123 1.00 0.00 C ATOM 1591 CD LYS A 96 4.549 7.458 -4.067 1.00 0.00 C ATOM 1592 CE LYS A 96 5.785 8.362 -4.170 1.00 0.00 C ATOM 1593 NZ LYS A 96 7.001 7.556 -3.957 1.00 0.00 N ATOM 0 H LYS A 96 -0.027 7.677 -6.668 1.00 0.00 H new ATOM 0 HA LYS A 96 2.710 7.421 -7.680 1.00 0.00 H new ATOM 0 HB2 LYS A 96 1.814 6.569 -4.891 1.00 0.00 H new ATOM 0 HB3 LYS A 96 3.175 5.822 -5.702 1.00 0.00 H new ATOM 0 HG2 LYS A 96 4.054 8.302 -5.976 1.00 0.00 H new ATOM 0 HG3 LYS A 96 2.903 8.675 -4.709 1.00 0.00 H new ATOM 0 HD2 LYS A 96 4.113 7.531 -3.071 1.00 0.00 H new ATOM 0 HD3 LYS A 96 4.833 6.416 -4.215 1.00 0.00 H new ATOM 0 HE2 LYS A 96 5.819 8.840 -5.149 1.00 0.00 H new ATOM 0 HE3 LYS A 96 5.729 9.159 -3.428 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 7.502 7.900 -3.113 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 6.737 6.559 -3.821 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 7.623 7.640 -4.787 1.00 0.00 H new ATOM 1607 N ILE A 97 2.240 4.912 -8.092 1.00 0.00 N ATOM 1608 CA ILE A 97 1.826 3.726 -8.840 1.00 0.00 C ATOM 1609 C ILE A 97 2.287 2.461 -8.154 1.00 0.00 C ATOM 1610 O ILE A 97 3.232 2.464 -7.349 1.00 0.00 O ATOM 1611 CB ILE A 97 2.319 3.801 -10.343 1.00 0.00 C ATOM 1612 CG1 ILE A 97 2.035 5.165 -11.051 1.00 0.00 C ATOM 1613 CG2 ILE A 97 1.733 2.661 -11.232 1.00 0.00 C ATOM 1614 CD1 ILE A 97 2.500 5.274 -12.518 1.00 0.00 C ATOM 0 H ILE A 97 3.249 4.995 -7.968 1.00 0.00 H new ATOM 0 HA ILE A 97 0.736 3.700 -8.860 1.00 0.00 H new ATOM 0 HB ILE A 97 3.399 3.683 -10.251 1.00 0.00 H new ATOM 0 HG12 ILE A 97 0.962 5.354 -11.016 1.00 0.00 H new ATOM 0 HG13 ILE A 97 2.517 5.957 -10.478 1.00 0.00 H new ATOM 0 HG21 ILE A 97 2.107 2.765 -12.251 1.00 0.00 H new ATOM 0 HG22 ILE A 97 2.037 1.694 -10.831 1.00 0.00 H new ATOM 0 HG23 ILE A 97 0.645 2.726 -11.236 1.00 0.00 H new ATOM 0 HD11 ILE A 97 2.251 6.262 -12.906 1.00 0.00 H new ATOM 0 HD12 ILE A 97 3.578 5.125 -12.570 1.00 0.00 H new ATOM 0 HD13 ILE A 97 1.999 4.513 -13.116 1.00 0.00 H new ATOM 1626 N PHE A 98 1.616 1.359 -8.437 1.00 0.00 N ATOM 1627 CA PHE A 98 1.880 0.094 -7.754 1.00 0.00 C ATOM 1628 C PHE A 98 1.681 -1.085 -8.680 1.00 0.00 C ATOM 1629 O PHE A 98 1.108 -0.969 -9.772 1.00 0.00 O ATOM 1630 CB PHE A 98 0.920 -0.062 -6.534 1.00 0.00 C ATOM 1631 CG PHE A 98 1.445 0.442 -5.181 1.00 0.00 C ATOM 1632 CD1 PHE A 98 2.220 -0.381 -4.359 1.00 0.00 C ATOM 1633 CD2 PHE A 98 1.097 1.724 -4.738 1.00 0.00 C ATOM 1634 CE1 PHE A 98 2.646 0.076 -3.114 1.00 0.00 C ATOM 1635 CE2 PHE A 98 1.531 2.182 -3.499 1.00 0.00 C ATOM 1636 CZ PHE A 98 2.307 1.358 -2.687 1.00 0.00 C ATOM 0 H PHE A 98 0.878 1.309 -9.139 1.00 0.00 H new ATOM 0 HA PHE A 98 2.918 0.110 -7.421 1.00 0.00 H new ATOM 0 HB2 PHE A 98 -0.006 0.466 -6.759 1.00 0.00 H new ATOM 0 HB3 PHE A 98 0.668 -1.117 -6.431 1.00 0.00 H new ATOM 0 HD1 PHE A 98 2.489 -1.373 -4.690 1.00 0.00 H new ATOM 0 HD2 PHE A 98 0.488 2.361 -5.362 1.00 0.00 H new ATOM 0 HE1 PHE A 98 3.240 -0.564 -2.479 1.00 0.00 H new ATOM 0 HE2 PHE A 98 1.267 3.175 -3.167 1.00 0.00 H new ATOM 0 HZ PHE A 98 2.646 1.713 -1.725 1.00 0.00 H new ATOM 1646 N ASP A 99 2.136 -2.246 -8.244 1.00 0.00 N ATOM 1647 CA ASP A 99 1.942 -3.492 -8.980 1.00 0.00 C ATOM 1648 C ASP A 99 2.093 -4.688 -8.070 1.00 0.00 C ATOM 1649 O ASP A 99 3.211 -5.182 -7.829 1.00 0.00 O ATOM 1650 CB ASP A 99 2.917 -3.563 -10.186 1.00 0.00 C ATOM 1651 CG ASP A 99 3.399 -2.228 -10.771 1.00 0.00 C ATOM 1652 OD1 ASP A 99 4.357 -1.613 -10.325 1.00 0.00 O ATOM 1653 OD2 ASP A 99 2.663 -1.824 -11.849 1.00 0.00 O ATOM 0 H ASP A 99 2.651 -2.356 -7.370 1.00 0.00 H new ATOM 0 HA ASP A 99 0.924 -3.511 -9.370 1.00 0.00 H new ATOM 0 HB2 ASP A 99 3.793 -4.135 -9.880 1.00 0.00 H new ATOM 0 HB3 ASP A 99 2.431 -4.126 -10.982 1.00 0.00 H new ATOM 1658 N LEU A 100 0.990 -5.202 -7.558 1.00 0.00 N ATOM 1659 CA LEU A 100 1.015 -6.400 -6.720 1.00 0.00 C ATOM 1660 C LEU A 100 1.421 -7.620 -7.512 1.00 0.00 C ATOM 1661 O LEU A 100 1.172 -7.729 -8.722 1.00 0.00 O ATOM 1662 CB LEU A 100 -0.369 -6.615 -6.044 1.00 0.00 C ATOM 1663 CG LEU A 100 -0.397 -7.118 -4.576 1.00 0.00 C ATOM 1664 CD1 LEU A 100 -1.745 -6.778 -3.927 1.00 0.00 C ATOM 1665 CD2 LEU A 100 -0.133 -8.629 -4.461 1.00 0.00 C ATOM 0 H LEU A 100 0.059 -4.811 -7.705 1.00 0.00 H new ATOM 0 HA LEU A 100 1.764 -6.251 -5.942 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -0.909 -5.669 -6.082 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -0.929 -7.327 -6.651 1.00 0.00 H new ATOM 0 HG LEU A 100 0.410 -6.607 -4.051 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -1.754 -7.136 -2.897 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -1.892 -5.698 -3.937 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -2.549 -7.259 -4.485 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -0.164 -8.925 -3.412 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -0.896 -9.175 -5.015 1.00 0.00 H new ATOM 0 HD23 LEU A 100 0.849 -8.859 -4.874 1.00 0.00 H new ATOM 1677 N LYS A 101 2.038 -8.576 -6.839 1.00 0.00 N ATOM 1678 CA LYS A 101 2.585 -9.756 -7.500 1.00 0.00 C ATOM 1679 C LYS A 101 2.472 -10.993 -6.634 1.00 0.00 C ATOM 1680 O LYS A 101 2.194 -10.942 -5.428 1.00 0.00 O ATOM 1681 CB LYS A 101 4.077 -9.505 -7.868 1.00 0.00 C ATOM 1682 CG LYS A 101 4.277 -8.586 -9.099 1.00 0.00 C ATOM 1683 CD LYS A 101 5.741 -8.342 -9.483 1.00 0.00 C ATOM 1684 CE LYS A 101 5.820 -7.186 -10.488 1.00 0.00 C ATOM 1685 NZ LYS A 101 7.127 -7.217 -11.168 1.00 0.00 N ATOM 0 H LYS A 101 2.175 -8.560 -5.828 1.00 0.00 H new ATOM 0 HA LYS A 101 2.002 -9.931 -8.404 1.00 0.00 H new ATOM 0 HB2 LYS A 101 4.582 -9.061 -7.010 1.00 0.00 H new ATOM 0 HB3 LYS A 101 4.559 -10.463 -8.061 1.00 0.00 H new ATOM 0 HG2 LYS A 101 3.760 -9.026 -9.952 1.00 0.00 H new ATOM 0 HG3 LYS A 101 3.803 -7.625 -8.899 1.00 0.00 H new ATOM 0 HD2 LYS A 101 6.327 -8.106 -8.594 1.00 0.00 H new ATOM 0 HD3 LYS A 101 6.170 -9.245 -9.917 1.00 0.00 H new ATOM 0 HE2 LYS A 101 5.015 -7.269 -11.219 1.00 0.00 H new ATOM 0 HE3 LYS A 101 5.687 -6.234 -9.975 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 7.182 -6.434 -11.850 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 7.887 -7.118 -10.465 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 7.236 -8.121 -11.670 1.00 0.00 H new ATOM 1699 N ILE A 102 2.713 -12.137 -7.250 1.00 0.00 N ATOM 1700 CA ILE A 102 2.836 -13.409 -6.541 1.00 0.00 C ATOM 1701 C ILE A 102 4.175 -14.041 -6.864 1.00 0.00 C ATOM 1702 O ILE A 102 4.644 -14.060 -8.010 1.00 0.00 O ATOM 1703 CB ILE A 102 1.631 -14.396 -6.818 1.00 0.00 C ATOM 1704 CG1 ILE A 102 0.230 -13.695 -6.837 1.00 0.00 C ATOM 1705 CG2 ILE A 102 1.563 -15.581 -5.802 1.00 0.00 C ATOM 1706 CD1 ILE A 102 -0.094 -12.818 -5.608 1.00 0.00 C ATOM 0 H ILE A 102 2.830 -12.215 -8.260 1.00 0.00 H new ATOM 0 HA ILE A 102 2.790 -13.200 -5.472 1.00 0.00 H new ATOM 0 HB ILE A 102 1.847 -14.780 -7.815 1.00 0.00 H new ATOM 0 HG12 ILE A 102 0.166 -13.074 -7.731 1.00 0.00 H new ATOM 0 HG13 ILE A 102 -0.539 -14.462 -6.926 1.00 0.00 H new ATOM 0 HG21 ILE A 102 0.715 -16.221 -6.046 1.00 0.00 H new ATOM 0 HG22 ILE A 102 2.484 -16.161 -5.858 1.00 0.00 H new ATOM 0 HG23 ILE A 102 1.442 -15.188 -4.792 1.00 0.00 H new ATOM 0 HD11 ILE A 102 -1.086 -12.381 -5.724 1.00 0.00 H new ATOM 0 HD12 ILE A 102 -0.071 -13.431 -4.707 1.00 0.00 H new ATOM 0 HD13 ILE A 102 0.646 -12.022 -5.524 1.00 0.00 H new ATOM 1718 N GLN A 103 4.795 -14.590 -5.830 1.00 0.00 N ATOM 1719 CA GLN A 103 6.166 -15.080 -5.934 1.00 0.00 C ATOM 1720 C GLN A 103 6.229 -16.579 -6.123 1.00 0.00 C ATOM 1721 O GLN A 103 5.407 -17.354 -5.617 1.00 0.00 O ATOM 1722 CB GLN A 103 6.940 -14.652 -4.667 1.00 0.00 C ATOM 1723 CG GLN A 103 6.345 -15.108 -3.294 1.00 0.00 C ATOM 1724 CD GLN A 103 7.229 -15.050 -2.042 1.00 0.00 C ATOM 1725 OE1 GLN A 103 7.491 -13.986 -1.504 1.00 0.00 O ATOM 1726 NE2 GLN A 103 7.737 -16.151 -1.548 1.00 0.00 N ATOM 0 H GLN A 103 4.373 -14.708 -4.909 1.00 0.00 H new ATOM 0 HA GLN A 103 6.625 -14.642 -6.820 1.00 0.00 H new ATOM 0 HB2 GLN A 103 7.957 -15.038 -4.742 1.00 0.00 H new ATOM 0 HB3 GLN A 103 7.011 -13.564 -4.663 1.00 0.00 H new ATOM 0 HG2 GLN A 103 5.461 -14.500 -3.101 1.00 0.00 H new ATOM 0 HG3 GLN A 103 6.005 -16.137 -3.409 1.00 0.00 H new ATOM 0 HE21 GLN A 103 7.529 -17.049 -1.984 1.00 0.00 H new ATOM 0 HE22 GLN A 103 8.341 -16.111 -0.727 1.00 0.00 H new