USER MOD reduce.3.24.130724 H: found=0, std=0, add=908, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 906 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 85 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 39 SER OG : rot 145:sc= 1.4 USER MOD Set 2.2: A 41 TYR OH : rot 180:sc= 0.67 USER MOD Single : A 1 GLY N :NH3+ -112:sc= 0.0919 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 ASN : amide:sc= -3.2 K(o=-3.2,f=-4.2!) USER MOD Single : A 18 ASN : amide:sc= 0.558! C(o=0.56!,f=-12!) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 SER OG : rot 180:sc= -0.235 USER MOD Single : A 27 LYS NZ :NH3+ -158:sc= -0.0192 (180deg=-0.258) USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 THR OG1 : rot -50:sc= 1.1 USER MOD Single : A 37 SER OG : rot -110:sc= -0.903 USER MOD Single : A 42 LYS NZ :NH3+ -125:sc= 0 (180deg=-0.789) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.000472) USER MOD Single : A 50 LYS NZ :NH3+ 154:sc= -0.0144 (180deg=-0.399) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 57 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 70 ASN : amide:sc=-0.000342 X(o=-0.00034,f=-0.17) USER MOD Single : A 71 LYS NZ :NH3+ -154:sc= -0.436 (180deg=-1.52!) USER MOD Single : A 72 HIS : no HD1:sc= -1.4 K(o=-1.4,f=-0.21) USER MOD Single : A 78 ASN : amide:sc= -3.01 K(o=-3,f=-8.3!) USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 83 ASN : amide:sc= -1.61! K(o=-1.6!,f=0.39) USER MOD Single : A 90 GLN : amide:sc= -2.92! C(o=-2.9!,f=-11!) USER MOD Single : A 95 CYS SG : rot 140:sc= -3.57 USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 98 GLN : amide:sc= -0.564 K(o=-0.56,f=-1.1) USER MOD Single : A 103 SER OG : rot 140:sc= -1.18 USER MOD Single : A 105 LYS NZ :NH3+ -144:sc= -1.32 (180deg=-3.44!) USER MOD Single : A 107 SER OG : rot -70:sc= -2.61! USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -1.670 15.467 11.519 1.00 0.00 N ATOM 2 CA GLY A 1 -0.457 15.454 10.723 1.00 0.00 C ATOM 3 C GLY A 1 -0.238 16.756 9.978 1.00 0.00 C ATOM 4 O GLY A 1 -1.122 17.611 9.937 1.00 0.00 O ATOM 0 H1 GLY A 1 -1.423 15.454 12.529 1.00 0.00 H new ATOM 0 H2 GLY A 1 -2.215 16.327 11.307 1.00 0.00 H new ATOM 0 H3 GLY A 1 -2.243 14.629 11.292 1.00 0.00 H new ATOM 0 HA2 GLY A 1 0.398 15.262 11.372 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -0.505 14.633 10.007 1.00 0.00 H new ATOM 8 N SER A 2 0.944 16.907 9.389 1.00 0.00 N ATOM 9 CA SER A 2 1.278 18.117 8.647 1.00 0.00 C ATOM 10 C SER A 2 2.453 17.869 7.705 1.00 0.00 C ATOM 11 O SER A 2 3.405 17.171 8.053 1.00 0.00 O ATOM 12 CB SER A 2 1.614 19.256 9.611 1.00 0.00 C ATOM 13 OG SER A 2 1.294 20.515 9.045 1.00 0.00 O ATOM 0 H SER A 2 1.686 16.207 9.411 1.00 0.00 H new ATOM 0 HA SER A 2 0.410 18.400 8.051 1.00 0.00 H new ATOM 0 HB2 SER A 2 1.064 19.122 10.542 1.00 0.00 H new ATOM 0 HB3 SER A 2 2.675 19.225 9.860 1.00 0.00 H new ATOM 0 HG SER A 2 1.517 21.226 9.682 1.00 0.00 H new ATOM 19 N SER A 3 2.378 18.448 6.510 1.00 0.00 N ATOM 20 CA SER A 3 3.432 18.287 5.516 1.00 0.00 C ATOM 21 C SER A 3 4.403 19.463 5.560 1.00 0.00 C ATOM 22 O SER A 3 3.996 20.622 5.488 1.00 0.00 O ATOM 23 CB SER A 3 2.827 18.162 4.116 1.00 0.00 C ATOM 24 OG SER A 3 3.697 17.460 3.246 1.00 0.00 O ATOM 0 H SER A 3 1.599 19.032 6.208 1.00 0.00 H new ATOM 0 HA SER A 3 3.982 17.375 5.749 1.00 0.00 H new ATOM 0 HB2 SER A 3 1.870 17.643 4.175 1.00 0.00 H new ATOM 0 HB3 SER A 3 2.627 19.155 3.713 1.00 0.00 H new ATOM 0 HG SER A 3 3.287 17.392 2.358 1.00 0.00 H new ATOM 30 N GLY A 4 5.691 19.155 5.678 1.00 0.00 N ATOM 31 CA GLY A 4 6.701 20.195 5.730 1.00 0.00 C ATOM 32 C GLY A 4 8.095 19.640 5.943 1.00 0.00 C ATOM 33 O GLY A 4 9.046 20.062 5.285 1.00 0.00 O ATOM 0 H GLY A 4 6.053 18.203 5.739 1.00 0.00 H new ATOM 0 HA2 GLY A 4 6.679 20.766 4.802 1.00 0.00 H new ATOM 0 HA3 GLY A 4 6.462 20.889 6.536 1.00 0.00 H new ATOM 37 N SER A 5 8.218 18.692 6.867 1.00 0.00 N ATOM 38 CA SER A 5 9.508 18.082 7.169 1.00 0.00 C ATOM 39 C SER A 5 10.034 17.301 5.969 1.00 0.00 C ATOM 40 O SER A 5 9.665 16.147 5.755 1.00 0.00 O ATOM 41 CB SER A 5 9.386 17.156 8.381 1.00 0.00 C ATOM 42 OG SER A 5 9.237 17.899 9.578 1.00 0.00 O ATOM 0 H SER A 5 7.441 18.330 7.419 1.00 0.00 H new ATOM 0 HA SER A 5 10.215 18.879 7.399 1.00 0.00 H new ATOM 0 HB2 SER A 5 8.530 16.494 8.252 1.00 0.00 H new ATOM 0 HB3 SER A 5 10.271 16.523 8.450 1.00 0.00 H new ATOM 0 HG SER A 5 9.159 17.284 10.337 1.00 0.00 H new ATOM 48 N SER A 6 10.899 17.941 5.188 1.00 0.00 N ATOM 49 CA SER A 6 11.475 17.309 4.007 1.00 0.00 C ATOM 50 C SER A 6 11.749 15.830 4.261 1.00 0.00 C ATOM 51 O SER A 6 12.070 15.429 5.379 1.00 0.00 O ATOM 52 CB SER A 6 12.769 18.017 3.603 1.00 0.00 C ATOM 53 OG SER A 6 12.496 19.246 2.952 1.00 0.00 O ATOM 0 H SER A 6 11.216 18.896 5.352 1.00 0.00 H new ATOM 0 HA SER A 6 10.755 17.393 3.193 1.00 0.00 H new ATOM 0 HB2 SER A 6 13.380 18.198 4.488 1.00 0.00 H new ATOM 0 HB3 SER A 6 13.349 17.373 2.942 1.00 0.00 H new ATOM 0 HG SER A 6 13.339 19.680 2.705 1.00 0.00 H new ATOM 59 N GLY A 7 11.620 15.021 3.213 1.00 0.00 N ATOM 60 CA GLY A 7 11.857 13.596 3.342 1.00 0.00 C ATOM 61 C GLY A 7 10.576 12.788 3.287 1.00 0.00 C ATOM 62 O GLY A 7 9.930 12.705 2.243 1.00 0.00 O ATOM 0 H GLY A 7 11.355 15.328 2.277 1.00 0.00 H new ATOM 0 HA2 GLY A 7 12.524 13.268 2.545 1.00 0.00 H new ATOM 0 HA3 GLY A 7 12.367 13.399 4.285 1.00 0.00 H new ATOM 66 N VAL A 8 10.207 12.188 4.415 1.00 0.00 N ATOM 67 CA VAL A 8 8.994 11.382 4.491 1.00 0.00 C ATOM 68 C VAL A 8 7.773 12.183 4.056 1.00 0.00 C ATOM 69 O VAL A 8 7.611 13.343 4.436 1.00 0.00 O ATOM 70 CB VAL A 8 8.763 10.849 5.918 1.00 0.00 C ATOM 71 CG1 VAL A 8 8.739 11.994 6.918 1.00 0.00 C ATOM 72 CG2 VAL A 8 7.474 10.045 5.983 1.00 0.00 C ATOM 0 H VAL A 8 10.731 12.245 5.288 1.00 0.00 H new ATOM 0 HA VAL A 8 9.132 10.539 3.814 1.00 0.00 H new ATOM 0 HB VAL A 8 9.590 10.188 6.179 1.00 0.00 H new ATOM 0 HG11 VAL A 8 8.575 11.598 7.920 1.00 0.00 H new ATOM 0 HG12 VAL A 8 9.692 12.523 6.888 1.00 0.00 H new ATOM 0 HG13 VAL A 8 7.933 12.683 6.663 1.00 0.00 H new ATOM 0 HG21 VAL A 8 7.326 9.676 6.998 1.00 0.00 H new ATOM 0 HG22 VAL A 8 6.634 10.681 5.702 1.00 0.00 H new ATOM 0 HG23 VAL A 8 7.536 9.201 5.296 1.00 0.00 H new ATOM 82 N ILE A 9 6.916 11.557 3.256 1.00 0.00 N ATOM 83 CA ILE A 9 5.708 12.212 2.770 1.00 0.00 C ATOM 84 C ILE A 9 4.555 12.038 3.753 1.00 0.00 C ATOM 85 O ILE A 9 3.825 12.986 4.044 1.00 0.00 O ATOM 86 CB ILE A 9 5.283 11.663 1.396 1.00 0.00 C ATOM 87 CG1 ILE A 9 6.485 11.609 0.450 1.00 0.00 C ATOM 88 CG2 ILE A 9 4.174 12.518 0.803 1.00 0.00 C ATOM 89 CD1 ILE A 9 6.231 10.805 -0.805 1.00 0.00 C ATOM 0 H ILE A 9 7.036 10.598 2.931 1.00 0.00 H new ATOM 0 HA ILE A 9 5.942 13.272 2.672 1.00 0.00 H new ATOM 0 HB ILE A 9 4.902 10.650 1.528 1.00 0.00 H new ATOM 0 HG12 ILE A 9 6.763 12.625 0.171 1.00 0.00 H new ATOM 0 HG13 ILE A 9 7.335 11.180 0.980 1.00 0.00 H new ATOM 0 HG21 ILE A 9 3.885 12.117 -0.168 1.00 0.00 H new ATOM 0 HG22 ILE A 9 3.312 12.510 1.470 1.00 0.00 H new ATOM 0 HG23 ILE A 9 4.529 13.541 0.681 1.00 0.00 H new ATOM 0 HD11 ILE A 9 7.126 10.810 -1.428 1.00 0.00 H new ATOM 0 HD12 ILE A 9 5.983 9.778 -0.535 1.00 0.00 H new ATOM 0 HD13 ILE A 9 5.401 11.246 -1.358 1.00 0.00 H new ATOM 101 N ARG A 10 4.397 10.820 4.262 1.00 0.00 N ATOM 102 CA ARG A 10 3.333 10.521 5.213 1.00 0.00 C ATOM 103 C ARG A 10 3.640 9.243 5.988 1.00 0.00 C ATOM 104 O ARG A 10 4.668 8.603 5.767 1.00 0.00 O ATOM 105 CB ARG A 10 1.995 10.381 4.485 1.00 0.00 C ATOM 106 CG ARG A 10 0.791 10.701 5.357 1.00 0.00 C ATOM 107 CD ARG A 10 -0.354 11.273 4.536 1.00 0.00 C ATOM 108 NE ARG A 10 -1.599 11.327 5.298 1.00 0.00 N ATOM 109 CZ ARG A 10 -2.389 10.276 5.490 1.00 0.00 C ATOM 110 NH1 ARG A 10 -2.065 9.097 4.979 1.00 0.00 N ATOM 111 NH2 ARG A 10 -3.506 10.405 6.194 1.00 0.00 N ATOM 0 H ARG A 10 4.992 10.025 4.032 1.00 0.00 H new ATOM 0 HA ARG A 10 3.269 11.347 5.921 1.00 0.00 H new ATOM 0 HB2 ARG A 10 1.991 11.042 3.618 1.00 0.00 H new ATOM 0 HB3 ARG A 10 1.900 9.362 4.109 1.00 0.00 H new ATOM 0 HG2 ARG A 10 0.459 9.797 5.867 1.00 0.00 H new ATOM 0 HG3 ARG A 10 1.079 11.415 6.129 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -0.092 12.275 4.198 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -0.501 10.664 3.644 1.00 0.00 H new ATOM 0 HE ARG A 10 -1.877 12.220 5.705 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -1.207 8.995 4.437 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -2.673 8.292 5.128 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -3.759 11.311 6.588 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -4.112 9.598 6.341 1.00 0.00 H new ATOM 125 N ARG A 11 2.741 8.878 6.896 1.00 0.00 N ATOM 126 CA ARG A 11 2.916 7.677 7.705 1.00 0.00 C ATOM 127 C ARG A 11 1.604 7.273 8.369 1.00 0.00 C ATOM 128 O ARG A 11 0.755 8.116 8.654 1.00 0.00 O ATOM 129 CB ARG A 11 3.990 7.907 8.770 1.00 0.00 C ATOM 130 CG ARG A 11 5.393 8.040 8.201 1.00 0.00 C ATOM 131 CD ARG A 11 6.451 7.773 9.260 1.00 0.00 C ATOM 132 NE ARG A 11 7.795 8.087 8.783 1.00 0.00 N ATOM 133 CZ ARG A 11 8.838 8.263 9.586 1.00 0.00 C ATOM 134 NH1 ARG A 11 8.693 8.157 10.900 1.00 0.00 N ATOM 135 NH2 ARG A 11 10.030 8.546 9.076 1.00 0.00 N ATOM 0 H ARG A 11 1.884 9.396 7.090 1.00 0.00 H new ATOM 0 HA ARG A 11 3.234 6.868 7.047 1.00 0.00 H new ATOM 0 HB2 ARG A 11 3.747 8.810 9.330 1.00 0.00 H new ATOM 0 HB3 ARG A 11 3.971 7.078 9.478 1.00 0.00 H new ATOM 0 HG2 ARG A 11 5.519 7.341 7.374 1.00 0.00 H new ATOM 0 HG3 ARG A 11 5.528 9.042 7.794 1.00 0.00 H new ATOM 0 HD2 ARG A 11 6.233 8.367 10.148 1.00 0.00 H new ATOM 0 HD3 ARG A 11 6.408 6.726 9.559 1.00 0.00 H new ATOM 0 HE ARG A 11 7.941 8.176 7.777 1.00 0.00 H new ATOM 0 HH11 ARG A 11 7.779 7.940 11.296 1.00 0.00 H new ATOM 0 HH12 ARG A 11 9.496 8.293 11.514 1.00 0.00 H new ATOM 0 HH21 ARG A 11 10.146 8.629 8.066 1.00 0.00 H new ATOM 0 HH22 ARG A 11 10.830 8.681 9.694 1.00 0.00 H new ATOM 149 N GLY A 12 1.444 5.975 8.612 1.00 0.00 N ATOM 150 CA GLY A 12 0.233 5.482 9.240 1.00 0.00 C ATOM 151 C GLY A 12 0.149 3.968 9.228 1.00 0.00 C ATOM 152 O GLY A 12 0.855 3.307 8.467 1.00 0.00 O ATOM 0 H GLY A 12 2.132 5.257 8.385 1.00 0.00 H new ATOM 0 HA2 GLY A 12 0.191 5.837 10.270 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -0.634 5.895 8.725 1.00 0.00 H new ATOM 156 N TRP A 13 -0.716 3.419 10.073 1.00 0.00 N ATOM 157 CA TRP A 13 -0.888 1.973 10.157 1.00 0.00 C ATOM 158 C TRP A 13 -1.943 1.492 9.168 1.00 0.00 C ATOM 159 O TRP A 13 -3.123 1.824 9.292 1.00 0.00 O ATOM 160 CB TRP A 13 -1.282 1.567 11.579 1.00 0.00 C ATOM 161 CG TRP A 13 -0.160 1.694 12.565 1.00 0.00 C ATOM 162 CD1 TRP A 13 0.307 2.846 13.132 1.00 0.00 C ATOM 163 CD2 TRP A 13 0.637 0.631 13.097 1.00 0.00 C ATOM 164 NE1 TRP A 13 1.346 2.562 13.985 1.00 0.00 N ATOM 165 CE2 TRP A 13 1.567 1.210 13.982 1.00 0.00 C ATOM 166 CE3 TRP A 13 0.654 -0.755 12.914 1.00 0.00 C ATOM 167 CZ2 TRP A 13 2.503 0.451 14.680 1.00 0.00 C ATOM 168 CZ3 TRP A 13 1.584 -1.507 13.607 1.00 0.00 C ATOM 169 CH2 TRP A 13 2.498 -0.903 14.481 1.00 0.00 C ATOM 0 H TRP A 13 -1.309 3.952 10.709 1.00 0.00 H new ATOM 0 HA TRP A 13 0.062 1.504 9.903 1.00 0.00 H new ATOM 0 HB2 TRP A 13 -2.117 2.186 11.908 1.00 0.00 H new ATOM 0 HB3 TRP A 13 -1.634 0.535 11.570 1.00 0.00 H new ATOM 0 HD1 TRP A 13 -0.083 3.834 12.938 1.00 0.00 H new ATOM 0 HE1 TRP A 13 1.868 3.247 14.532 1.00 0.00 H new ATOM 0 HE3 TRP A 13 -0.047 -1.230 12.243 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 3.208 0.914 15.354 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 1.607 -2.578 13.473 1.00 0.00 H new ATOM 0 HH2 TRP A 13 3.212 -1.518 15.008 1.00 0.00 H new ATOM 180 N LEU A 14 -1.513 0.708 8.185 1.00 0.00 N ATOM 181 CA LEU A 14 -2.422 0.181 7.173 1.00 0.00 C ATOM 182 C LEU A 14 -2.613 -1.323 7.343 1.00 0.00 C ATOM 183 O LEU A 14 -1.827 -1.988 8.020 1.00 0.00 O ATOM 184 CB LEU A 14 -1.888 0.483 5.772 1.00 0.00 C ATOM 185 CG LEU A 14 -2.164 1.889 5.238 1.00 0.00 C ATOM 186 CD1 LEU A 14 -1.344 2.154 3.985 1.00 0.00 C ATOM 187 CD2 LEU A 14 -3.648 2.070 4.954 1.00 0.00 C ATOM 0 H LEU A 14 -0.541 0.423 8.067 1.00 0.00 H new ATOM 0 HA LEU A 14 -3.389 0.668 7.300 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -0.810 0.321 5.773 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -2.318 -0.239 5.078 1.00 0.00 H new ATOM 0 HG LEU A 14 -1.870 2.611 6.000 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -1.553 3.159 3.619 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -0.283 2.067 4.219 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -1.607 1.426 3.217 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -3.826 3.076 4.575 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -3.968 1.340 4.210 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -4.215 1.923 5.873 1.00 0.00 H new ATOM 199 N THR A 15 -3.662 -1.856 6.724 1.00 0.00 N ATOM 200 CA THR A 15 -3.955 -3.281 6.805 1.00 0.00 C ATOM 201 C THR A 15 -4.001 -3.913 5.419 1.00 0.00 C ATOM 202 O THR A 15 -4.894 -3.622 4.623 1.00 0.00 O ATOM 203 CB THR A 15 -5.296 -3.538 7.518 1.00 0.00 C ATOM 204 OG1 THR A 15 -5.274 -2.959 8.828 1.00 0.00 O ATOM 205 CG2 THR A 15 -5.577 -5.029 7.622 1.00 0.00 C ATOM 0 H THR A 15 -4.323 -1.321 6.161 1.00 0.00 H new ATOM 0 HA THR A 15 -3.151 -3.737 7.382 1.00 0.00 H new ATOM 0 HB THR A 15 -6.089 -3.075 6.930 1.00 0.00 H new ATOM 0 HG1 THR A 15 -6.131 -3.125 9.274 1.00 0.00 H new ATOM 0 HG21 THR A 15 -6.529 -5.185 8.129 1.00 0.00 H new ATOM 0 HG22 THR A 15 -5.623 -5.461 6.622 1.00 0.00 H new ATOM 0 HG23 THR A 15 -4.781 -5.511 8.189 1.00 0.00 H new ATOM 213 N ILE A 16 -3.033 -4.779 5.137 1.00 0.00 N ATOM 214 CA ILE A 16 -2.965 -5.454 3.847 1.00 0.00 C ATOM 215 C ILE A 16 -4.050 -6.519 3.725 1.00 0.00 C ATOM 216 O ILE A 16 -3.814 -7.694 4.004 1.00 0.00 O ATOM 217 CB ILE A 16 -1.589 -6.111 3.628 1.00 0.00 C ATOM 218 CG1 ILE A 16 -0.470 -5.095 3.867 1.00 0.00 C ATOM 219 CG2 ILE A 16 -1.496 -6.689 2.223 1.00 0.00 C ATOM 220 CD1 ILE A 16 0.912 -5.710 3.879 1.00 0.00 C ATOM 0 H ILE A 16 -2.286 -5.029 5.784 1.00 0.00 H new ATOM 0 HA ILE A 16 -3.121 -4.692 3.083 1.00 0.00 H new ATOM 0 HB ILE A 16 -1.473 -6.925 4.344 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -0.512 -4.331 3.091 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -0.644 -4.593 4.819 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -0.518 -7.150 2.083 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -2.274 -7.440 2.086 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -1.629 -5.892 1.492 1.00 0.00 H new ATOM 0 HD11 ILE A 16 1.655 -4.932 4.053 1.00 0.00 H new ATOM 0 HD12 ILE A 16 0.972 -6.454 4.673 1.00 0.00 H new ATOM 0 HD13 ILE A 16 1.106 -6.188 2.919 1.00 0.00 H new ATOM 232 N ASN A 17 -5.239 -6.099 3.305 1.00 0.00 N ATOM 233 CA ASN A 17 -6.360 -7.017 3.145 1.00 0.00 C ATOM 234 C ASN A 17 -5.887 -8.366 2.612 1.00 0.00 C ATOM 235 O ASN A 17 -6.311 -9.417 3.091 1.00 0.00 O ATOM 236 CB ASN A 17 -7.404 -6.420 2.198 1.00 0.00 C ATOM 237 CG ASN A 17 -8.439 -5.588 2.930 1.00 0.00 C ATOM 238 OD1 ASN A 17 -8.416 -5.486 4.157 1.00 0.00 O ATOM 239 ND2 ASN A 17 -9.356 -4.989 2.179 1.00 0.00 N ATOM 0 H ASN A 17 -5.451 -5.129 3.070 1.00 0.00 H new ATOM 0 HA ASN A 17 -6.813 -7.172 4.124 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -6.904 -5.800 1.454 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -7.904 -7.225 1.659 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -10.079 -4.417 2.616 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -9.337 -5.101 1.165 1.00 0.00 H new ATOM 246 N ASN A 18 -5.006 -8.327 1.617 1.00 0.00 N ATOM 247 CA ASN A 18 -4.475 -9.547 1.019 1.00 0.00 C ATOM 248 C ASN A 18 -2.973 -9.663 1.262 1.00 0.00 C ATOM 249 O ASN A 18 -2.169 -9.087 0.528 1.00 0.00 O ATOM 250 CB ASN A 18 -4.763 -9.570 -0.483 1.00 0.00 C ATOM 251 CG ASN A 18 -3.986 -8.508 -1.237 1.00 0.00 C ATOM 252 OD1 ASN A 18 -3.569 -7.502 -0.662 1.00 0.00 O ATOM 253 ND2 ASN A 18 -3.788 -8.727 -2.532 1.00 0.00 N ATOM 0 H ASN A 18 -4.645 -7.465 1.208 1.00 0.00 H new ATOM 0 HA ASN A 18 -4.968 -10.397 1.490 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -4.512 -10.552 -0.883 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -5.830 -9.421 -0.648 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -3.272 -8.047 -3.091 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -4.152 -9.575 -2.967 1.00 0.00 H new ATOM 260 N ILE A 19 -2.603 -10.410 2.296 1.00 0.00 N ATOM 261 CA ILE A 19 -1.198 -10.603 2.635 1.00 0.00 C ATOM 262 C ILE A 19 -0.869 -12.083 2.794 1.00 0.00 C ATOM 263 O ILE A 19 -1.757 -12.907 3.012 1.00 0.00 O ATOM 264 CB ILE A 19 -0.826 -9.863 3.933 1.00 0.00 C ATOM 265 CG1 ILE A 19 0.692 -9.701 4.036 1.00 0.00 C ATOM 266 CG2 ILE A 19 -1.367 -10.611 5.143 1.00 0.00 C ATOM 267 CD1 ILE A 19 1.125 -8.726 5.109 1.00 0.00 C ATOM 0 H ILE A 19 -3.256 -10.892 2.914 1.00 0.00 H new ATOM 0 HA ILE A 19 -0.615 -10.191 1.812 1.00 0.00 H new ATOM 0 HB ILE A 19 -1.278 -8.871 3.911 1.00 0.00 H new ATOM 0 HG12 ILE A 19 1.140 -10.674 4.238 1.00 0.00 H new ATOM 0 HG13 ILE A 19 1.079 -9.366 3.074 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -1.096 -10.076 6.053 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -2.453 -10.680 5.072 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -0.941 -11.614 5.171 1.00 0.00 H new ATOM 0 HD11 ILE A 19 2.213 -8.662 5.125 1.00 0.00 H new ATOM 0 HD12 ILE A 19 0.706 -7.742 4.897 1.00 0.00 H new ATOM 0 HD13 ILE A 19 0.768 -9.071 6.079 1.00 0.00 H new ATOM 279 N SER A 20 0.414 -12.413 2.683 1.00 0.00 N ATOM 280 CA SER A 20 0.861 -13.795 2.813 1.00 0.00 C ATOM 281 C SER A 20 0.179 -14.479 3.994 1.00 0.00 C ATOM 282 O SER A 20 0.352 -14.073 5.145 1.00 0.00 O ATOM 283 CB SER A 20 2.380 -13.848 2.986 1.00 0.00 C ATOM 284 OG SER A 20 3.035 -13.887 1.730 1.00 0.00 O ATOM 0 H SER A 20 1.162 -11.743 2.503 1.00 0.00 H new ATOM 0 HA SER A 20 0.587 -14.326 1.901 1.00 0.00 H new ATOM 0 HB2 SER A 20 2.716 -12.976 3.548 1.00 0.00 H new ATOM 0 HB3 SER A 20 2.652 -14.728 3.569 1.00 0.00 H new ATOM 0 HG SER A 20 4.005 -13.919 1.868 1.00 0.00 H new ATOM 290 N LEU A 21 -0.596 -15.517 3.702 1.00 0.00 N ATOM 291 CA LEU A 21 -1.305 -16.259 4.740 1.00 0.00 C ATOM 292 C LEU A 21 -0.420 -17.354 5.327 1.00 0.00 C ATOM 293 O LEU A 21 -0.507 -17.665 6.515 1.00 0.00 O ATOM 294 CB LEU A 21 -2.585 -16.872 4.171 1.00 0.00 C ATOM 295 CG LEU A 21 -2.396 -18.021 3.180 1.00 0.00 C ATOM 296 CD1 LEU A 21 -2.352 -19.354 3.910 1.00 0.00 C ATOM 297 CD2 LEU A 21 -3.508 -18.017 2.140 1.00 0.00 C ATOM 0 H LEU A 21 -0.750 -15.865 2.755 1.00 0.00 H new ATOM 0 HA LEU A 21 -1.566 -15.563 5.537 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -3.192 -17.231 5.002 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -3.154 -16.083 3.678 1.00 0.00 H new ATOM 0 HG LEU A 21 -1.445 -17.880 2.667 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -2.217 -20.160 3.188 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -1.521 -19.355 4.615 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -3.287 -19.504 4.451 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -3.357 -18.841 1.443 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -4.471 -18.133 2.637 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -3.493 -17.073 1.595 1.00 0.00 H new ATOM 309 N MET A 22 0.432 -17.933 4.488 1.00 0.00 N ATOM 310 CA MET A 22 1.335 -18.991 4.926 1.00 0.00 C ATOM 311 C MET A 22 2.414 -18.437 5.852 1.00 0.00 C ATOM 312 O MET A 22 2.564 -18.889 6.987 1.00 0.00 O ATOM 313 CB MET A 22 1.984 -19.670 3.718 1.00 0.00 C ATOM 314 CG MET A 22 2.324 -21.132 3.953 1.00 0.00 C ATOM 315 SD MET A 22 0.863 -22.188 3.992 1.00 0.00 S ATOM 316 CE MET A 22 1.517 -23.696 3.280 1.00 0.00 C ATOM 0 H MET A 22 0.516 -17.688 3.502 1.00 0.00 H new ATOM 0 HA MET A 22 0.750 -19.727 5.477 1.00 0.00 H new ATOM 0 HB2 MET A 22 1.311 -19.595 2.864 1.00 0.00 H new ATOM 0 HB3 MET A 22 2.894 -19.132 3.455 1.00 0.00 H new ATOM 0 HG2 MET A 22 2.995 -21.476 3.166 1.00 0.00 H new ATOM 0 HG3 MET A 22 2.863 -21.229 4.896 1.00 0.00 H new ATOM 0 HE1 MET A 22 0.730 -24.449 3.236 1.00 0.00 H new ATOM 0 HE2 MET A 22 1.882 -23.494 2.273 1.00 0.00 H new ATOM 0 HE3 MET A 22 2.337 -24.064 3.897 1.00 0.00 H new ATOM 326 N LYS A 23 3.162 -17.455 5.360 1.00 0.00 N ATOM 327 CA LYS A 23 4.226 -16.838 6.142 1.00 0.00 C ATOM 328 C LYS A 23 3.700 -15.642 6.929 1.00 0.00 C ATOM 329 O LYS A 23 2.811 -14.926 6.468 1.00 0.00 O ATOM 330 CB LYS A 23 5.370 -16.396 5.227 1.00 0.00 C ATOM 331 CG LYS A 23 6.430 -17.464 5.019 1.00 0.00 C ATOM 332 CD LYS A 23 5.952 -18.546 4.065 1.00 0.00 C ATOM 333 CE LYS A 23 5.245 -19.670 4.807 1.00 0.00 C ATOM 334 NZ LYS A 23 6.210 -20.596 5.461 1.00 0.00 N ATOM 0 H LYS A 23 3.050 -17.069 4.422 1.00 0.00 H new ATOM 0 HA LYS A 23 4.600 -17.580 6.848 1.00 0.00 H new ATOM 0 HB2 LYS A 23 4.960 -16.110 4.259 1.00 0.00 H new ATOM 0 HB3 LYS A 23 5.839 -15.508 5.649 1.00 0.00 H new ATOM 0 HG2 LYS A 23 7.337 -17.006 4.625 1.00 0.00 H new ATOM 0 HG3 LYS A 23 6.689 -17.912 5.978 1.00 0.00 H new ATOM 0 HD2 LYS A 23 5.275 -18.111 3.330 1.00 0.00 H new ATOM 0 HD3 LYS A 23 6.802 -18.950 3.515 1.00 0.00 H new ATOM 0 HE2 LYS A 23 4.581 -19.246 5.560 1.00 0.00 H new ATOM 0 HE3 LYS A 23 4.621 -20.229 4.110 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 5.689 -21.348 5.956 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 6.828 -21.020 4.740 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 6.789 -20.068 6.145 1.00 0.00 H new ATOM 348 N GLY A 24 4.255 -15.430 8.118 1.00 0.00 N ATOM 349 CA GLY A 24 3.829 -14.318 8.948 1.00 0.00 C ATOM 350 C GLY A 24 2.506 -14.584 9.638 1.00 0.00 C ATOM 351 O GLY A 24 2.426 -15.410 10.547 1.00 0.00 O ATOM 0 H GLY A 24 4.992 -16.008 8.522 1.00 0.00 H new ATOM 0 HA2 GLY A 24 4.593 -14.115 9.699 1.00 0.00 H new ATOM 0 HA3 GLY A 24 3.741 -13.422 8.333 1.00 0.00 H new ATOM 355 N GLY A 25 1.463 -13.880 9.207 1.00 0.00 N ATOM 356 CA GLY A 25 0.151 -14.057 9.802 1.00 0.00 C ATOM 357 C GLY A 25 -0.673 -12.785 9.777 1.00 0.00 C ATOM 358 O GLY A 25 -1.623 -12.669 9.003 1.00 0.00 O ATOM 0 H GLY A 25 1.504 -13.190 8.456 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -0.383 -14.843 9.269 1.00 0.00 H new ATOM 0 HA3 GLY A 25 0.265 -14.392 10.833 1.00 0.00 H new ATOM 362 N SER A 26 -0.310 -11.829 10.626 1.00 0.00 N ATOM 363 CA SER A 26 -1.027 -10.561 10.702 1.00 0.00 C ATOM 364 C SER A 26 -1.086 -9.888 9.334 1.00 0.00 C ATOM 365 O SER A 26 -0.423 -10.316 8.388 1.00 0.00 O ATOM 366 CB SER A 26 -0.354 -9.630 11.712 1.00 0.00 C ATOM 367 OG SER A 26 -1.053 -8.402 11.819 1.00 0.00 O ATOM 0 H SER A 26 0.476 -11.908 11.271 1.00 0.00 H new ATOM 0 HA SER A 26 -2.046 -10.767 11.031 1.00 0.00 H new ATOM 0 HB2 SER A 26 -0.313 -10.115 12.687 1.00 0.00 H new ATOM 0 HB3 SER A 26 0.675 -9.441 11.407 1.00 0.00 H new ATOM 0 HG SER A 26 -0.604 -7.826 12.472 1.00 0.00 H new ATOM 373 N LYS A 27 -1.885 -8.831 9.236 1.00 0.00 N ATOM 374 CA LYS A 27 -2.032 -8.096 7.985 1.00 0.00 C ATOM 375 C LYS A 27 -1.773 -6.607 8.196 1.00 0.00 C ATOM 376 O LYS A 27 -1.678 -5.843 7.236 1.00 0.00 O ATOM 377 CB LYS A 27 -3.434 -8.304 7.409 1.00 0.00 C ATOM 378 CG LYS A 27 -4.548 -7.911 8.363 1.00 0.00 C ATOM 379 CD LYS A 27 -4.976 -9.081 9.233 1.00 0.00 C ATOM 380 CE LYS A 27 -6.094 -9.881 8.582 1.00 0.00 C ATOM 381 NZ LYS A 27 -7.375 -9.121 8.554 1.00 0.00 N ATOM 0 H LYS A 27 -2.441 -8.464 10.008 1.00 0.00 H new ATOM 0 HA LYS A 27 -1.296 -8.479 7.279 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -3.531 -7.723 6.492 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -3.554 -9.353 7.136 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -4.213 -7.089 8.996 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -5.404 -7.547 7.794 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -4.121 -9.732 9.416 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -5.309 -8.712 10.203 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -5.806 -10.146 7.565 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -6.237 -10.815 9.126 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -8.170 -9.785 8.463 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -7.476 -8.579 9.436 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -7.374 -8.468 7.744 1.00 0.00 H new ATOM 395 N GLU A 28 -1.659 -6.204 9.457 1.00 0.00 N ATOM 396 CA GLU A 28 -1.410 -4.806 9.792 1.00 0.00 C ATOM 397 C GLU A 28 0.087 -4.513 9.825 1.00 0.00 C ATOM 398 O GLU A 28 0.882 -5.334 10.282 1.00 0.00 O ATOM 399 CB GLU A 28 -2.038 -4.463 11.144 1.00 0.00 C ATOM 400 CG GLU A 28 -1.561 -3.140 11.719 1.00 0.00 C ATOM 401 CD GLU A 28 -2.021 -2.924 13.147 1.00 0.00 C ATOM 402 OE1 GLU A 28 -1.349 -3.431 14.070 1.00 0.00 O ATOM 403 OE2 GLU A 28 -3.053 -2.249 13.343 1.00 0.00 O ATOM 0 H GLU A 28 -1.735 -6.824 10.263 1.00 0.00 H new ATOM 0 HA GLU A 28 -1.867 -4.187 9.020 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -3.122 -4.432 11.034 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -1.812 -5.260 11.853 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -0.472 -3.104 11.683 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -1.928 -2.324 11.096 1.00 0.00 H new ATOM 410 N TYR A 29 0.464 -3.336 9.337 1.00 0.00 N ATOM 411 CA TYR A 29 1.865 -2.934 9.307 1.00 0.00 C ATOM 412 C TYR A 29 2.001 -1.420 9.438 1.00 0.00 C ATOM 413 O TYR A 29 1.005 -0.703 9.535 1.00 0.00 O ATOM 414 CB TYR A 29 2.525 -3.406 8.011 1.00 0.00 C ATOM 415 CG TYR A 29 2.695 -4.906 7.929 1.00 0.00 C ATOM 416 CD1 TYR A 29 1.613 -5.733 7.650 1.00 0.00 C ATOM 417 CD2 TYR A 29 3.936 -5.497 8.131 1.00 0.00 C ATOM 418 CE1 TYR A 29 1.763 -7.104 7.575 1.00 0.00 C ATOM 419 CE2 TYR A 29 4.095 -6.867 8.056 1.00 0.00 C ATOM 420 CZ TYR A 29 3.006 -7.666 7.778 1.00 0.00 C ATOM 421 OH TYR A 29 3.161 -9.032 7.704 1.00 0.00 O ATOM 0 H TYR A 29 -0.181 -2.644 8.957 1.00 0.00 H new ATOM 0 HA TYR A 29 2.368 -3.400 10.154 1.00 0.00 H new ATOM 0 HB2 TYR A 29 1.926 -3.070 7.165 1.00 0.00 H new ATOM 0 HB3 TYR A 29 3.502 -2.932 7.918 1.00 0.00 H new ATOM 0 HD1 TYR A 29 0.639 -5.296 7.489 1.00 0.00 H new ATOM 0 HD2 TYR A 29 4.791 -4.875 8.350 1.00 0.00 H new ATOM 0 HE1 TYR A 29 0.912 -7.732 7.359 1.00 0.00 H new ATOM 0 HE2 TYR A 29 5.067 -7.310 8.214 1.00 0.00 H new ATOM 0 HH TYR A 29 4.098 -9.264 7.871 1.00 0.00 H new ATOM 431 N TRP A 30 3.239 -0.942 9.441 1.00 0.00 N ATOM 432 CA TRP A 30 3.507 0.487 9.560 1.00 0.00 C ATOM 433 C TRP A 30 4.034 1.053 8.246 1.00 0.00 C ATOM 434 O TRP A 30 5.240 1.052 7.997 1.00 0.00 O ATOM 435 CB TRP A 30 4.514 0.747 10.681 1.00 0.00 C ATOM 436 CG TRP A 30 4.991 2.166 10.734 1.00 0.00 C ATOM 437 CD1 TRP A 30 6.232 2.626 10.397 1.00 0.00 C ATOM 438 CD2 TRP A 30 4.236 3.310 11.149 1.00 0.00 C ATOM 439 NE1 TRP A 30 6.294 3.987 10.578 1.00 0.00 N ATOM 440 CE2 TRP A 30 5.083 4.430 11.038 1.00 0.00 C ATOM 441 CE3 TRP A 30 2.927 3.497 11.601 1.00 0.00 C ATOM 442 CZ2 TRP A 30 4.661 5.717 11.364 1.00 0.00 C ATOM 443 CZ3 TRP A 30 2.511 4.774 11.925 1.00 0.00 C ATOM 444 CH2 TRP A 30 3.375 5.870 11.805 1.00 0.00 C ATOM 0 H TRP A 30 4.074 -1.522 9.362 1.00 0.00 H new ATOM 0 HA TRP A 30 2.569 0.988 9.800 1.00 0.00 H new ATOM 0 HB2 TRP A 30 4.058 0.489 11.637 1.00 0.00 H new ATOM 0 HB3 TRP A 30 5.372 0.088 10.549 1.00 0.00 H new ATOM 0 HD1 TRP A 30 7.045 2.011 10.041 1.00 0.00 H new ATOM 0 HE1 TRP A 30 7.110 4.572 10.399 1.00 0.00 H new ATOM 0 HE3 TRP A 30 2.253 2.659 11.695 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 5.325 6.564 11.272 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 1.502 4.930 12.277 1.00 0.00 H new ATOM 0 HH2 TRP A 30 3.019 6.856 12.066 1.00 0.00 H new ATOM 455 N PHE A 31 3.123 1.536 7.407 1.00 0.00 N ATOM 456 CA PHE A 31 3.497 2.105 6.117 1.00 0.00 C ATOM 457 C PHE A 31 4.157 3.470 6.296 1.00 0.00 C ATOM 458 O PHE A 31 3.618 4.349 6.968 1.00 0.00 O ATOM 459 CB PHE A 31 2.267 2.235 5.217 1.00 0.00 C ATOM 460 CG PHE A 31 1.823 0.931 4.618 1.00 0.00 C ATOM 461 CD1 PHE A 31 1.486 -0.141 5.429 1.00 0.00 C ATOM 462 CD2 PHE A 31 1.742 0.777 3.243 1.00 0.00 C ATOM 463 CE1 PHE A 31 1.078 -1.341 4.880 1.00 0.00 C ATOM 464 CE2 PHE A 31 1.335 -0.422 2.688 1.00 0.00 C ATOM 465 CZ PHE A 31 1.001 -1.482 3.508 1.00 0.00 C ATOM 0 H PHE A 31 2.121 1.545 7.597 1.00 0.00 H new ATOM 0 HA PHE A 31 4.214 1.433 5.645 1.00 0.00 H new ATOM 0 HB2 PHE A 31 1.446 2.658 5.796 1.00 0.00 H new ATOM 0 HB3 PHE A 31 2.487 2.939 4.414 1.00 0.00 H new ATOM 0 HD1 PHE A 31 1.543 -0.037 6.502 1.00 0.00 H new ATOM 0 HD2 PHE A 31 2.000 1.604 2.597 1.00 0.00 H new ATOM 0 HE1 PHE A 31 0.819 -2.169 5.523 1.00 0.00 H new ATOM 0 HE2 PHE A 31 1.278 -0.530 1.615 1.00 0.00 H new ATOM 0 HZ PHE A 31 0.680 -2.419 3.077 1.00 0.00 H new ATOM 475 N VAL A 32 5.328 3.638 5.689 1.00 0.00 N ATOM 476 CA VAL A 32 6.062 4.895 5.779 1.00 0.00 C ATOM 477 C VAL A 32 6.365 5.454 4.394 1.00 0.00 C ATOM 478 O VAL A 32 7.470 5.290 3.874 1.00 0.00 O ATOM 479 CB VAL A 32 7.383 4.719 6.550 1.00 0.00 C ATOM 480 CG1 VAL A 32 8.254 5.958 6.408 1.00 0.00 C ATOM 481 CG2 VAL A 32 7.108 4.415 8.015 1.00 0.00 C ATOM 0 H VAL A 32 5.788 2.920 5.130 1.00 0.00 H new ATOM 0 HA VAL A 32 5.425 5.596 6.319 1.00 0.00 H new ATOM 0 HB VAL A 32 7.923 3.874 6.123 1.00 0.00 H new ATOM 0 HG11 VAL A 32 9.183 5.815 6.960 1.00 0.00 H new ATOM 0 HG12 VAL A 32 8.479 6.126 5.355 1.00 0.00 H new ATOM 0 HG13 VAL A 32 7.724 6.823 6.808 1.00 0.00 H new ATOM 0 HG21 VAL A 32 8.053 4.294 8.545 1.00 0.00 H new ATOM 0 HG22 VAL A 32 6.546 5.237 8.458 1.00 0.00 H new ATOM 0 HG23 VAL A 32 6.527 3.496 8.093 1.00 0.00 H new ATOM 491 N LEU A 33 5.379 6.117 3.800 1.00 0.00 N ATOM 492 CA LEU A 33 5.540 6.703 2.474 1.00 0.00 C ATOM 493 C LEU A 33 6.606 7.795 2.487 1.00 0.00 C ATOM 494 O LEU A 33 6.412 8.861 3.072 1.00 0.00 O ATOM 495 CB LEU A 33 4.210 7.279 1.984 1.00 0.00 C ATOM 496 CG LEU A 33 4.147 7.659 0.505 1.00 0.00 C ATOM 497 CD1 LEU A 33 3.693 6.473 -0.332 1.00 0.00 C ATOM 498 CD2 LEU A 33 3.219 8.847 0.298 1.00 0.00 C ATOM 0 H LEU A 33 4.459 6.262 4.216 1.00 0.00 H new ATOM 0 HA LEU A 33 5.861 5.915 1.792 1.00 0.00 H new ATOM 0 HB2 LEU A 33 3.425 6.550 2.185 1.00 0.00 H new ATOM 0 HB3 LEU A 33 3.981 8.165 2.576 1.00 0.00 H new ATOM 0 HG LEU A 33 5.148 7.945 0.180 1.00 0.00 H new ATOM 0 HD11 LEU A 33 3.654 6.762 -1.382 1.00 0.00 H new ATOM 0 HD12 LEU A 33 4.397 5.650 -0.208 1.00 0.00 H new ATOM 0 HD13 LEU A 33 2.702 6.156 -0.006 1.00 0.00 H new ATOM 0 HD21 LEU A 33 3.187 9.103 -0.761 1.00 0.00 H new ATOM 0 HD22 LEU A 33 2.217 8.589 0.640 1.00 0.00 H new ATOM 0 HD23 LEU A 33 3.588 9.700 0.867 1.00 0.00 H new ATOM 510 N THR A 34 7.732 7.522 1.835 1.00 0.00 N ATOM 511 CA THR A 34 8.828 8.480 1.770 1.00 0.00 C ATOM 512 C THR A 34 9.140 8.862 0.327 1.00 0.00 C ATOM 513 O THR A 34 8.951 8.065 -0.591 1.00 0.00 O ATOM 514 CB THR A 34 10.103 7.920 2.427 1.00 0.00 C ATOM 515 OG1 THR A 34 10.505 6.713 1.769 1.00 0.00 O ATOM 516 CG2 THR A 34 9.874 7.645 3.906 1.00 0.00 C ATOM 0 H THR A 34 7.908 6.645 1.345 1.00 0.00 H new ATOM 0 HA THR A 34 8.505 9.366 2.316 1.00 0.00 H new ATOM 0 HB THR A 34 10.892 8.666 2.330 1.00 0.00 H new ATOM 0 HG1 THR A 34 9.737 6.109 1.695 1.00 0.00 H new ATOM 0 HG21 THR A 34 10.789 7.250 4.349 1.00 0.00 H new ATOM 0 HG22 THR A 34 9.598 8.571 4.410 1.00 0.00 H new ATOM 0 HG23 THR A 34 9.071 6.916 4.021 1.00 0.00 H new ATOM 524 N ALA A 35 9.618 10.087 0.134 1.00 0.00 N ATOM 525 CA ALA A 35 9.958 10.574 -1.197 1.00 0.00 C ATOM 526 C ALA A 35 10.783 9.545 -1.963 1.00 0.00 C ATOM 527 O ALA A 35 10.779 9.526 -3.193 1.00 0.00 O ATOM 528 CB ALA A 35 10.713 11.891 -1.100 1.00 0.00 C ATOM 0 H ALA A 35 9.779 10.760 0.883 1.00 0.00 H new ATOM 0 HA ALA A 35 9.030 10.739 -1.745 1.00 0.00 H new ATOM 0 HB1 ALA A 35 10.961 12.243 -2.101 1.00 0.00 H new ATOM 0 HB2 ALA A 35 10.090 12.632 -0.599 1.00 0.00 H new ATOM 0 HB3 ALA A 35 11.630 11.743 -0.530 1.00 0.00 H new ATOM 534 N GLU A 36 11.488 8.691 -1.227 1.00 0.00 N ATOM 535 CA GLU A 36 12.318 7.661 -1.840 1.00 0.00 C ATOM 536 C GLU A 36 11.473 6.463 -2.264 1.00 0.00 C ATOM 537 O GLU A 36 11.373 6.149 -3.451 1.00 0.00 O ATOM 538 CB GLU A 36 13.410 7.209 -0.867 1.00 0.00 C ATOM 539 CG GLU A 36 14.458 8.274 -0.592 1.00 0.00 C ATOM 540 CD GLU A 36 15.282 8.612 -1.820 1.00 0.00 C ATOM 541 OE1 GLU A 36 15.574 7.690 -2.610 1.00 0.00 O ATOM 542 OE2 GLU A 36 15.636 9.798 -1.990 1.00 0.00 O ATOM 0 H GLU A 36 11.501 8.692 -0.207 1.00 0.00 H new ATOM 0 HA GLU A 36 12.785 8.087 -2.728 1.00 0.00 H new ATOM 0 HB2 GLU A 36 12.947 6.915 0.075 1.00 0.00 H new ATOM 0 HB3 GLU A 36 13.901 6.324 -1.271 1.00 0.00 H new ATOM 0 HG2 GLU A 36 13.967 9.177 -0.229 1.00 0.00 H new ATOM 0 HG3 GLU A 36 15.121 7.930 0.202 1.00 0.00 H new ATOM 549 N SER A 37 10.867 5.797 -1.287 1.00 0.00 N ATOM 550 CA SER A 37 10.035 4.631 -1.557 1.00 0.00 C ATOM 551 C SER A 37 9.077 4.366 -0.400 1.00 0.00 C ATOM 552 O SER A 37 9.127 5.041 0.630 1.00 0.00 O ATOM 553 CB SER A 37 10.909 3.399 -1.803 1.00 0.00 C ATOM 554 OG SER A 37 11.211 2.738 -0.586 1.00 0.00 O ATOM 0 H SER A 37 10.937 6.045 -0.300 1.00 0.00 H new ATOM 0 HA SER A 37 9.448 4.835 -2.452 1.00 0.00 H new ATOM 0 HB2 SER A 37 10.395 2.713 -2.476 1.00 0.00 H new ATOM 0 HB3 SER A 37 11.833 3.698 -2.298 1.00 0.00 H new ATOM 0 HG SER A 37 12.161 2.856 -0.376 1.00 0.00 H new ATOM 560 N LEU A 38 8.205 3.380 -0.575 1.00 0.00 N ATOM 561 CA LEU A 38 7.234 3.025 0.454 1.00 0.00 C ATOM 562 C LEU A 38 7.662 1.761 1.193 1.00 0.00 C ATOM 563 O LEU A 38 7.780 0.690 0.597 1.00 0.00 O ATOM 564 CB LEU A 38 5.852 2.821 -0.169 1.00 0.00 C ATOM 565 CG LEU A 38 4.818 2.112 0.707 1.00 0.00 C ATOM 566 CD1 LEU A 38 4.194 3.088 1.691 1.00 0.00 C ATOM 567 CD2 LEU A 38 3.746 1.460 -0.154 1.00 0.00 C ATOM 0 H LEU A 38 8.150 2.812 -1.420 1.00 0.00 H new ATOM 0 HA LEU A 38 7.185 3.845 1.171 1.00 0.00 H new ATOM 0 HB2 LEU A 38 5.454 3.797 -0.448 1.00 0.00 H new ATOM 0 HB3 LEU A 38 5.971 2.250 -1.090 1.00 0.00 H new ATOM 0 HG LEU A 38 5.324 1.331 1.274 1.00 0.00 H new ATOM 0 HD11 LEU A 38 3.461 2.566 2.306 1.00 0.00 H new ATOM 0 HD12 LEU A 38 4.971 3.507 2.330 1.00 0.00 H new ATOM 0 HD13 LEU A 38 3.702 3.892 1.144 1.00 0.00 H new ATOM 0 HD21 LEU A 38 3.019 0.960 0.486 1.00 0.00 H new ATOM 0 HD22 LEU A 38 3.243 2.223 -0.748 1.00 0.00 H new ATOM 0 HD23 LEU A 38 4.207 0.729 -0.818 1.00 0.00 H new ATOM 579 N SER A 39 7.893 1.893 2.496 1.00 0.00 N ATOM 580 CA SER A 39 8.309 0.762 3.317 1.00 0.00 C ATOM 581 C SER A 39 7.306 0.505 4.437 1.00 0.00 C ATOM 582 O SER A 39 6.735 1.439 5.000 1.00 0.00 O ATOM 583 CB SER A 39 9.697 1.018 3.908 1.00 0.00 C ATOM 584 OG SER A 39 9.767 2.301 4.507 1.00 0.00 O ATOM 0 H SER A 39 7.799 2.772 3.005 1.00 0.00 H new ATOM 0 HA SER A 39 8.350 -0.122 2.681 1.00 0.00 H new ATOM 0 HB2 SER A 39 9.926 0.254 4.650 1.00 0.00 H new ATOM 0 HB3 SER A 39 10.450 0.937 3.124 1.00 0.00 H new ATOM 0 HG SER A 39 10.346 2.262 5.296 1.00 0.00 H new ATOM 590 N TRP A 40 7.096 -0.768 4.753 1.00 0.00 N ATOM 591 CA TRP A 40 6.161 -1.149 5.806 1.00 0.00 C ATOM 592 C TRP A 40 6.845 -2.023 6.851 1.00 0.00 C ATOM 593 O TRP A 40 7.255 -3.147 6.562 1.00 0.00 O ATOM 594 CB TRP A 40 4.963 -1.890 5.209 1.00 0.00 C ATOM 595 CG TRP A 40 5.354 -2.996 4.277 1.00 0.00 C ATOM 596 CD1 TRP A 40 5.700 -4.272 4.619 1.00 0.00 C ATOM 597 CD2 TRP A 40 5.439 -2.925 2.849 1.00 0.00 C ATOM 598 NE1 TRP A 40 5.996 -4.998 3.490 1.00 0.00 N ATOM 599 CE2 TRP A 40 5.843 -4.194 2.392 1.00 0.00 C ATOM 600 CE3 TRP A 40 5.213 -1.912 1.913 1.00 0.00 C ATOM 601 CZ2 TRP A 40 6.025 -4.475 1.040 1.00 0.00 C ATOM 602 CZ3 TRP A 40 5.394 -2.192 0.572 1.00 0.00 C ATOM 603 CH2 TRP A 40 5.796 -3.465 0.146 1.00 0.00 C ATOM 0 H TRP A 40 7.560 -1.553 4.296 1.00 0.00 H new ATOM 0 HA TRP A 40 5.811 -0.239 6.293 1.00 0.00 H new ATOM 0 HB2 TRP A 40 4.360 -2.302 6.018 1.00 0.00 H new ATOM 0 HB3 TRP A 40 4.335 -1.178 4.674 1.00 0.00 H new ATOM 0 HD1 TRP A 40 5.736 -4.655 5.628 1.00 0.00 H new ATOM 0 HE1 TRP A 40 6.283 -5.977 3.473 1.00 0.00 H new ATOM 0 HE3 TRP A 40 4.902 -0.928 2.232 1.00 0.00 H new ATOM 0 HZ2 TRP A 40 6.336 -5.455 0.709 1.00 0.00 H new ATOM 0 HZ3 TRP A 40 5.223 -1.417 -0.160 1.00 0.00 H new ATOM 0 HH2 TRP A 40 5.928 -3.653 -0.909 1.00 0.00 H new ATOM 614 N TYR A 41 6.965 -1.500 8.066 1.00 0.00 N ATOM 615 CA TYR A 41 7.603 -2.232 9.154 1.00 0.00 C ATOM 616 C TYR A 41 6.564 -2.745 10.147 1.00 0.00 C ATOM 617 O TYR A 41 5.361 -2.573 9.951 1.00 0.00 O ATOM 618 CB TYR A 41 8.616 -1.340 9.873 1.00 0.00 C ATOM 619 CG TYR A 41 9.468 -0.514 8.936 1.00 0.00 C ATOM 620 CD1 TYR A 41 8.935 0.576 8.260 1.00 0.00 C ATOM 621 CD2 TYR A 41 10.806 -0.825 8.726 1.00 0.00 C ATOM 622 CE1 TYR A 41 9.709 1.333 7.402 1.00 0.00 C ATOM 623 CE2 TYR A 41 11.588 -0.073 7.871 1.00 0.00 C ATOM 624 CZ TYR A 41 11.035 1.005 7.212 1.00 0.00 C ATOM 625 OH TYR A 41 11.811 1.756 6.358 1.00 0.00 O ATOM 0 H TYR A 41 6.629 -0.572 8.322 1.00 0.00 H new ATOM 0 HA TYR A 41 8.124 -3.088 8.726 1.00 0.00 H new ATOM 0 HB2 TYR A 41 8.083 -0.672 10.550 1.00 0.00 H new ATOM 0 HB3 TYR A 41 9.266 -1.964 10.487 1.00 0.00 H new ATOM 0 HD1 TYR A 41 7.897 0.836 8.408 1.00 0.00 H new ATOM 0 HD2 TYR A 41 11.242 -1.669 9.240 1.00 0.00 H new ATOM 0 HE1 TYR A 41 9.278 2.177 6.883 1.00 0.00 H new ATOM 0 HE2 TYR A 41 12.627 -0.328 7.719 1.00 0.00 H new ATOM 0 HH TYR A 41 12.721 1.393 6.338 1.00 0.00 H new ATOM 635 N LYS A 42 7.038 -3.375 11.217 1.00 0.00 N ATOM 636 CA LYS A 42 6.154 -3.912 12.244 1.00 0.00 C ATOM 637 C LYS A 42 5.552 -2.790 13.085 1.00 0.00 C ATOM 638 O LYS A 42 4.344 -2.757 13.319 1.00 0.00 O ATOM 639 CB LYS A 42 6.917 -4.886 13.145 1.00 0.00 C ATOM 640 CG LYS A 42 7.426 -6.117 12.415 1.00 0.00 C ATOM 641 CD LYS A 42 8.322 -6.962 13.305 1.00 0.00 C ATOM 642 CE LYS A 42 7.512 -7.930 14.154 1.00 0.00 C ATOM 643 NZ LYS A 42 7.098 -7.321 15.448 1.00 0.00 N ATOM 0 H LYS A 42 8.031 -3.526 11.395 1.00 0.00 H new ATOM 0 HA LYS A 42 5.343 -4.445 11.747 1.00 0.00 H new ATOM 0 HB2 LYS A 42 7.762 -4.365 13.595 1.00 0.00 H new ATOM 0 HB3 LYS A 42 6.265 -5.201 13.960 1.00 0.00 H new ATOM 0 HG2 LYS A 42 6.581 -6.715 12.075 1.00 0.00 H new ATOM 0 HG3 LYS A 42 7.978 -5.812 11.526 1.00 0.00 H new ATOM 0 HD2 LYS A 42 9.027 -7.520 12.689 1.00 0.00 H new ATOM 0 HD3 LYS A 42 8.910 -6.312 13.953 1.00 0.00 H new ATOM 0 HE2 LYS A 42 6.627 -8.245 13.601 1.00 0.00 H new ATOM 0 HE3 LYS A 42 8.103 -8.826 14.347 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 7.418 -7.923 16.233 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 7.525 -6.377 15.540 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 6.062 -7.237 15.476 1.00 0.00 H new ATOM 657 N ASP A 43 6.402 -1.873 13.534 1.00 0.00 N ATOM 658 CA ASP A 43 5.954 -0.749 14.347 1.00 0.00 C ATOM 659 C ASP A 43 6.536 0.563 13.828 1.00 0.00 C ATOM 660 O ASP A 43 7.225 0.586 12.809 1.00 0.00 O ATOM 661 CB ASP A 43 6.354 -0.956 15.808 1.00 0.00 C ATOM 662 CG ASP A 43 7.710 -1.618 15.949 1.00 0.00 C ATOM 663 OD1 ASP A 43 8.620 -1.280 15.162 1.00 0.00 O ATOM 664 OD2 ASP A 43 7.863 -2.473 16.846 1.00 0.00 O ATOM 0 H ASP A 43 7.405 -1.886 13.349 1.00 0.00 H new ATOM 0 HA ASP A 43 4.867 -0.695 14.281 1.00 0.00 H new ATOM 0 HB2 ASP A 43 6.369 0.007 16.318 1.00 0.00 H new ATOM 0 HB3 ASP A 43 5.601 -1.568 16.305 1.00 0.00 H new ATOM 669 N GLU A 44 6.253 1.651 14.536 1.00 0.00 N ATOM 670 CA GLU A 44 6.747 2.966 14.146 1.00 0.00 C ATOM 671 C GLU A 44 8.187 3.166 14.610 1.00 0.00 C ATOM 672 O GLU A 44 8.535 4.214 15.152 1.00 0.00 O ATOM 673 CB GLU A 44 5.856 4.065 14.728 1.00 0.00 C ATOM 674 CG GLU A 44 4.373 3.737 14.674 1.00 0.00 C ATOM 675 CD GLU A 44 3.511 4.836 15.264 1.00 0.00 C ATOM 676 OE1 GLU A 44 3.835 6.023 15.053 1.00 0.00 O ATOM 677 OE2 GLU A 44 2.511 4.508 15.937 1.00 0.00 O ATOM 0 H GLU A 44 5.684 1.648 15.383 1.00 0.00 H new ATOM 0 HA GLU A 44 6.721 3.026 13.058 1.00 0.00 H new ATOM 0 HB2 GLU A 44 6.143 4.243 15.764 1.00 0.00 H new ATOM 0 HB3 GLU A 44 6.035 4.992 14.184 1.00 0.00 H new ATOM 0 HG2 GLU A 44 4.080 3.567 13.638 1.00 0.00 H new ATOM 0 HG3 GLU A 44 4.190 2.808 15.214 1.00 0.00 H new ATOM 684 N GLU A 45 9.019 2.151 14.393 1.00 0.00 N ATOM 685 CA GLU A 45 10.421 2.215 14.790 1.00 0.00 C ATOM 686 C GLU A 45 11.335 2.172 13.569 1.00 0.00 C ATOM 687 O GLU A 45 12.301 2.928 13.477 1.00 0.00 O ATOM 688 CB GLU A 45 10.759 1.060 15.735 1.00 0.00 C ATOM 689 CG GLU A 45 9.898 1.026 16.987 1.00 0.00 C ATOM 690 CD GLU A 45 10.488 0.153 18.077 1.00 0.00 C ATOM 691 OE1 GLU A 45 11.450 0.599 18.738 1.00 0.00 O ATOM 692 OE2 GLU A 45 9.989 -0.975 18.270 1.00 0.00 O ATOM 0 H GLU A 45 8.747 1.276 13.945 1.00 0.00 H new ATOM 0 HA GLU A 45 10.582 3.160 15.310 1.00 0.00 H new ATOM 0 HB2 GLU A 45 10.644 0.118 15.199 1.00 0.00 H new ATOM 0 HB3 GLU A 45 11.807 1.135 16.027 1.00 0.00 H new ATOM 0 HG2 GLU A 45 9.775 2.040 17.366 1.00 0.00 H new ATOM 0 HG3 GLU A 45 8.904 0.659 16.730 1.00 0.00 H new ATOM 699 N GLU A 46 11.022 1.280 12.634 1.00 0.00 N ATOM 700 CA GLU A 46 11.816 1.137 11.419 1.00 0.00 C ATOM 701 C GLU A 46 13.180 0.527 11.730 1.00 0.00 C ATOM 702 O GLU A 46 14.217 1.066 11.341 1.00 0.00 O ATOM 703 CB GLU A 46 11.995 2.495 10.738 1.00 0.00 C ATOM 704 CG GLU A 46 10.710 3.298 10.633 1.00 0.00 C ATOM 705 CD GLU A 46 10.957 4.751 10.278 1.00 0.00 C ATOM 706 OE1 GLU A 46 11.990 5.301 10.715 1.00 0.00 O ATOM 707 OE2 GLU A 46 10.118 5.339 9.564 1.00 0.00 O ATOM 0 H GLU A 46 10.225 0.646 12.695 1.00 0.00 H new ATOM 0 HA GLU A 46 11.283 0.468 10.743 1.00 0.00 H new ATOM 0 HB2 GLU A 46 12.732 3.076 11.293 1.00 0.00 H new ATOM 0 HB3 GLU A 46 12.399 2.340 9.738 1.00 0.00 H new ATOM 0 HG2 GLU A 46 10.066 2.848 9.878 1.00 0.00 H new ATOM 0 HG3 GLU A 46 10.175 3.246 11.581 1.00 0.00 H new ATOM 714 N LYS A 47 13.171 -0.600 12.433 1.00 0.00 N ATOM 715 CA LYS A 47 14.406 -1.285 12.797 1.00 0.00 C ATOM 716 C LYS A 47 14.570 -2.572 11.994 1.00 0.00 C ATOM 717 O LYS A 47 15.690 -3.000 11.715 1.00 0.00 O ATOM 718 CB LYS A 47 14.416 -1.601 14.294 1.00 0.00 C ATOM 719 CG LYS A 47 13.311 -2.550 14.723 1.00 0.00 C ATOM 720 CD LYS A 47 13.537 -3.066 16.134 1.00 0.00 C ATOM 721 CE LYS A 47 12.333 -3.846 16.642 1.00 0.00 C ATOM 722 NZ LYS A 47 12.721 -4.873 17.647 1.00 0.00 N ATOM 0 H LYS A 47 12.322 -1.059 12.762 1.00 0.00 H new ATOM 0 HA LYS A 47 15.241 -0.624 12.566 1.00 0.00 H new ATOM 0 HB2 LYS A 47 15.380 -2.036 14.558 1.00 0.00 H new ATOM 0 HB3 LYS A 47 14.322 -0.670 14.854 1.00 0.00 H new ATOM 0 HG2 LYS A 47 12.350 -2.038 14.671 1.00 0.00 H new ATOM 0 HG3 LYS A 47 13.262 -3.390 14.031 1.00 0.00 H new ATOM 0 HD2 LYS A 47 14.420 -3.705 16.152 1.00 0.00 H new ATOM 0 HD3 LYS A 47 13.737 -2.228 16.801 1.00 0.00 H new ATOM 0 HE2 LYS A 47 11.615 -3.157 17.086 1.00 0.00 H new ATOM 0 HE3 LYS A 47 11.833 -4.330 15.803 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 11.873 -5.382 17.968 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 13.387 -5.546 17.216 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 13.175 -4.409 18.460 1.00 0.00 H new ATOM 736 N GLU A 48 13.448 -3.181 11.625 1.00 0.00 N ATOM 737 CA GLU A 48 13.470 -4.418 10.853 1.00 0.00 C ATOM 738 C GLU A 48 12.583 -4.305 9.617 1.00 0.00 C ATOM 739 O GLU A 48 11.459 -4.807 9.597 1.00 0.00 O ATOM 740 CB GLU A 48 13.010 -5.593 11.719 1.00 0.00 C ATOM 741 CG GLU A 48 12.762 -6.869 10.931 1.00 0.00 C ATOM 742 CD GLU A 48 13.005 -8.119 11.754 1.00 0.00 C ATOM 743 OE1 GLU A 48 14.082 -8.218 12.378 1.00 0.00 O ATOM 744 OE2 GLU A 48 12.118 -8.998 11.775 1.00 0.00 O ATOM 0 H GLU A 48 12.513 -2.839 11.848 1.00 0.00 H new ATOM 0 HA GLU A 48 14.495 -4.595 10.527 1.00 0.00 H new ATOM 0 HB2 GLU A 48 13.763 -5.788 12.482 1.00 0.00 H new ATOM 0 HB3 GLU A 48 12.094 -5.313 12.239 1.00 0.00 H new ATOM 0 HG2 GLU A 48 11.735 -6.873 10.566 1.00 0.00 H new ATOM 0 HG3 GLU A 48 13.411 -6.883 10.056 1.00 0.00 H new ATOM 751 N LYS A 49 13.095 -3.639 8.587 1.00 0.00 N ATOM 752 CA LYS A 49 12.352 -3.459 7.346 1.00 0.00 C ATOM 753 C LYS A 49 11.846 -4.796 6.815 1.00 0.00 C ATOM 754 O LYS A 49 12.632 -5.705 6.543 1.00 0.00 O ATOM 755 CB LYS A 49 13.232 -2.780 6.294 1.00 0.00 C ATOM 756 CG LYS A 49 12.553 -2.618 4.945 1.00 0.00 C ATOM 757 CD LYS A 49 13.066 -1.394 4.206 1.00 0.00 C ATOM 758 CE LYS A 49 14.569 -1.466 3.984 1.00 0.00 C ATOM 759 NZ LYS A 49 14.915 -2.291 2.794 1.00 0.00 N ATOM 0 H LYS A 49 14.023 -3.215 8.588 1.00 0.00 H new ATOM 0 HA LYS A 49 11.492 -2.823 7.556 1.00 0.00 H new ATOM 0 HB2 LYS A 49 13.531 -1.798 6.661 1.00 0.00 H new ATOM 0 HB3 LYS A 49 14.144 -3.363 6.165 1.00 0.00 H new ATOM 0 HG2 LYS A 49 12.726 -3.508 4.340 1.00 0.00 H new ATOM 0 HG3 LYS A 49 11.476 -2.533 5.087 1.00 0.00 H new ATOM 0 HD2 LYS A 49 12.559 -1.309 3.245 1.00 0.00 H new ATOM 0 HD3 LYS A 49 12.824 -0.496 4.775 1.00 0.00 H new ATOM 0 HE2 LYS A 49 14.966 -0.459 3.855 1.00 0.00 H new ATOM 0 HE3 LYS A 49 15.047 -1.886 4.869 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 15.949 -2.329 2.687 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 14.544 -3.254 2.920 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 14.494 -1.866 1.943 1.00 0.00 H new ATOM 773 N LYS A 50 10.531 -4.910 6.668 1.00 0.00 N ATOM 774 CA LYS A 50 9.920 -6.136 6.167 1.00 0.00 C ATOM 775 C LYS A 50 10.117 -6.265 4.660 1.00 0.00 C ATOM 776 O LYS A 50 10.457 -7.337 4.158 1.00 0.00 O ATOM 777 CB LYS A 50 8.426 -6.159 6.500 1.00 0.00 C ATOM 778 CG LYS A 50 8.133 -6.465 7.958 1.00 0.00 C ATOM 779 CD LYS A 50 8.934 -7.660 8.449 1.00 0.00 C ATOM 780 CE LYS A 50 8.336 -8.248 9.718 1.00 0.00 C ATOM 781 NZ LYS A 50 7.054 -8.956 9.450 1.00 0.00 N ATOM 0 H LYS A 50 9.867 -4.168 6.889 1.00 0.00 H new ATOM 0 HA LYS A 50 10.408 -6.981 6.654 1.00 0.00 H new ATOM 0 HB2 LYS A 50 7.991 -5.193 6.246 1.00 0.00 H new ATOM 0 HB3 LYS A 50 7.934 -6.905 5.875 1.00 0.00 H new ATOM 0 HG2 LYS A 50 8.368 -5.593 8.568 1.00 0.00 H new ATOM 0 HG3 LYS A 50 7.068 -6.663 8.082 1.00 0.00 H new ATOM 0 HD2 LYS A 50 8.964 -8.424 7.672 1.00 0.00 H new ATOM 0 HD3 LYS A 50 9.964 -7.357 8.637 1.00 0.00 H new ATOM 0 HE2 LYS A 50 9.047 -8.942 10.167 1.00 0.00 H new ATOM 0 HE3 LYS A 50 8.167 -7.452 10.443 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 6.902 -9.685 10.176 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 6.269 -8.274 9.475 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 7.094 -9.404 8.512 1.00 0.00 H new ATOM 795 N TYR A 51 9.904 -5.166 3.943 1.00 0.00 N ATOM 796 CA TYR A 51 10.058 -5.158 2.494 1.00 0.00 C ATOM 797 C TYR A 51 9.877 -3.749 1.935 1.00 0.00 C ATOM 798 O TYR A 51 8.958 -3.029 2.324 1.00 0.00 O ATOM 799 CB TYR A 51 9.049 -6.108 1.847 1.00 0.00 C ATOM 800 CG TYR A 51 9.300 -6.347 0.375 1.00 0.00 C ATOM 801 CD1 TYR A 51 8.998 -5.373 -0.568 1.00 0.00 C ATOM 802 CD2 TYR A 51 9.838 -7.547 -0.072 1.00 0.00 C ATOM 803 CE1 TYR A 51 9.224 -5.587 -1.914 1.00 0.00 C ATOM 804 CE2 TYR A 51 10.070 -7.769 -1.416 1.00 0.00 C ATOM 805 CZ TYR A 51 9.761 -6.787 -2.333 1.00 0.00 C ATOM 806 OH TYR A 51 9.989 -7.005 -3.672 1.00 0.00 O ATOM 0 H TYR A 51 9.624 -4.270 4.342 1.00 0.00 H new ATOM 0 HA TYR A 51 11.067 -5.496 2.260 1.00 0.00 H new ATOM 0 HB2 TYR A 51 9.074 -7.063 2.371 1.00 0.00 H new ATOM 0 HB3 TYR A 51 8.046 -5.701 1.975 1.00 0.00 H new ATOM 0 HD1 TYR A 51 8.579 -4.432 -0.243 1.00 0.00 H new ATOM 0 HD2 TYR A 51 10.079 -8.320 0.643 1.00 0.00 H new ATOM 0 HE1 TYR A 51 8.982 -4.819 -2.634 1.00 0.00 H new ATOM 0 HE2 TYR A 51 10.491 -8.707 -1.746 1.00 0.00 H new ATOM 0 HH TYR A 51 10.371 -7.899 -3.798 1.00 0.00 H new ATOM 816 N MET A 52 10.761 -3.365 1.020 1.00 0.00 N ATOM 817 CA MET A 52 10.699 -2.043 0.406 1.00 0.00 C ATOM 818 C MET A 52 10.002 -2.106 -0.949 1.00 0.00 C ATOM 819 O MET A 52 10.053 -3.126 -1.638 1.00 0.00 O ATOM 820 CB MET A 52 12.106 -1.467 0.243 1.00 0.00 C ATOM 821 CG MET A 52 12.146 -0.179 -0.565 1.00 0.00 C ATOM 822 SD MET A 52 13.814 0.482 -0.738 1.00 0.00 S ATOM 823 CE MET A 52 14.202 -0.012 -2.415 1.00 0.00 C ATOM 0 H MET A 52 11.528 -3.949 0.687 1.00 0.00 H new ATOM 0 HA MET A 52 10.122 -1.391 1.062 1.00 0.00 H new ATOM 0 HB2 MET A 52 12.530 -1.281 1.230 1.00 0.00 H new ATOM 0 HB3 MET A 52 12.740 -2.210 -0.241 1.00 0.00 H new ATOM 0 HG2 MET A 52 11.728 -0.363 -1.555 1.00 0.00 H new ATOM 0 HG3 MET A 52 11.512 0.566 -0.085 1.00 0.00 H new ATOM 0 HE1 MET A 52 15.206 0.326 -2.671 1.00 0.00 H new ATOM 0 HE2 MET A 52 14.153 -1.098 -2.495 1.00 0.00 H new ATOM 0 HE3 MET A 52 13.483 0.435 -3.102 1.00 0.00 H new ATOM 833 N LEU A 53 9.352 -1.011 -1.326 1.00 0.00 N ATOM 834 CA LEU A 53 8.644 -0.942 -2.600 1.00 0.00 C ATOM 835 C LEU A 53 8.704 0.467 -3.181 1.00 0.00 C ATOM 836 O LEU A 53 8.439 1.458 -2.500 1.00 0.00 O ATOM 837 CB LEU A 53 7.186 -1.370 -2.420 1.00 0.00 C ATOM 838 CG LEU A 53 6.525 -2.028 -3.631 1.00 0.00 C ATOM 839 CD1 LEU A 53 7.059 -3.438 -3.829 1.00 0.00 C ATOM 840 CD2 LEU A 53 5.012 -2.046 -3.469 1.00 0.00 C ATOM 0 H LEU A 53 9.300 -0.159 -0.768 1.00 0.00 H new ATOM 0 HA LEU A 53 9.133 -1.623 -3.296 1.00 0.00 H new ATOM 0 HB2 LEU A 53 7.133 -2.064 -1.581 1.00 0.00 H new ATOM 0 HB3 LEU A 53 6.602 -0.492 -2.145 1.00 0.00 H new ATOM 0 HG LEU A 53 6.768 -1.442 -4.517 1.00 0.00 H new ATOM 0 HD11 LEU A 53 6.577 -3.891 -4.695 1.00 0.00 H new ATOM 0 HD12 LEU A 53 8.136 -3.400 -3.991 1.00 0.00 H new ATOM 0 HD13 LEU A 53 6.847 -4.035 -2.942 1.00 0.00 H new ATOM 0 HD21 LEU A 53 4.558 -2.518 -4.340 1.00 0.00 H new ATOM 0 HD22 LEU A 53 4.749 -2.609 -2.573 1.00 0.00 H new ATOM 0 HD23 LEU A 53 4.644 -1.024 -3.377 1.00 0.00 H new ATOM 852 N PRO A 54 9.059 0.561 -4.471 1.00 0.00 N ATOM 853 CA PRO A 54 9.160 1.844 -5.173 1.00 0.00 C ATOM 854 C PRO A 54 7.797 2.489 -5.400 1.00 0.00 C ATOM 855 O PRO A 54 6.758 1.862 -5.187 1.00 0.00 O ATOM 856 CB PRO A 54 9.802 1.467 -6.511 1.00 0.00 C ATOM 857 CG PRO A 54 9.439 0.036 -6.715 1.00 0.00 C ATOM 858 CD PRO A 54 9.389 -0.578 -5.344 1.00 0.00 C ATOM 0 HA PRO A 54 9.730 2.577 -4.602 1.00 0.00 H new ATOM 0 HB2 PRO A 54 9.424 2.091 -7.321 1.00 0.00 H new ATOM 0 HB3 PRO A 54 10.883 1.601 -6.483 1.00 0.00 H new ATOM 0 HG2 PRO A 54 8.476 -0.054 -7.218 1.00 0.00 H new ATOM 0 HG3 PRO A 54 10.175 -0.468 -7.342 1.00 0.00 H new ATOM 0 HD2 PRO A 54 8.635 -1.363 -5.283 1.00 0.00 H new ATOM 0 HD3 PRO A 54 10.343 -1.030 -5.071 1.00 0.00 H new ATOM 866 N LEU A 55 7.807 3.745 -5.833 1.00 0.00 N ATOM 867 CA LEU A 55 6.571 4.476 -6.089 1.00 0.00 C ATOM 868 C LEU A 55 6.531 4.992 -7.524 1.00 0.00 C ATOM 869 O LEU A 55 5.805 5.937 -7.834 1.00 0.00 O ATOM 870 CB LEU A 55 6.433 5.643 -5.110 1.00 0.00 C ATOM 871 CG LEU A 55 7.064 5.442 -3.732 1.00 0.00 C ATOM 872 CD1 LEU A 55 7.218 6.774 -3.016 1.00 0.00 C ATOM 873 CD2 LEU A 55 6.230 4.479 -2.899 1.00 0.00 C ATOM 0 H LEU A 55 8.657 4.278 -6.014 1.00 0.00 H new ATOM 0 HA LEU A 55 5.736 3.790 -5.946 1.00 0.00 H new ATOM 0 HB2 LEU A 55 6.878 6.528 -5.566 1.00 0.00 H new ATOM 0 HB3 LEU A 55 5.372 5.854 -4.974 1.00 0.00 H new ATOM 0 HG LEU A 55 8.055 5.009 -3.867 1.00 0.00 H new ATOM 0 HD11 LEU A 55 7.669 6.611 -2.037 1.00 0.00 H new ATOM 0 HD12 LEU A 55 7.857 7.432 -3.605 1.00 0.00 H new ATOM 0 HD13 LEU A 55 6.238 7.236 -2.892 1.00 0.00 H new ATOM 0 HD21 LEU A 55 6.694 4.348 -1.921 1.00 0.00 H new ATOM 0 HD22 LEU A 55 5.226 4.883 -2.773 1.00 0.00 H new ATOM 0 HD23 LEU A 55 6.172 3.516 -3.406 1.00 0.00 H new ATOM 885 N ASP A 56 7.315 4.366 -8.394 1.00 0.00 N ATOM 886 CA ASP A 56 7.367 4.760 -9.797 1.00 0.00 C ATOM 887 C ASP A 56 6.720 3.700 -10.684 1.00 0.00 C ATOM 888 O ASP A 56 6.185 4.010 -11.748 1.00 0.00 O ATOM 889 CB ASP A 56 8.815 4.990 -10.231 1.00 0.00 C ATOM 890 CG ASP A 56 9.268 6.419 -10.001 1.00 0.00 C ATOM 891 OD1 ASP A 56 8.887 7.299 -10.800 1.00 0.00 O ATOM 892 OD2 ASP A 56 10.004 6.656 -9.020 1.00 0.00 O ATOM 0 H ASP A 56 7.923 3.584 -8.153 1.00 0.00 H new ATOM 0 HA ASP A 56 6.810 5.690 -9.908 1.00 0.00 H new ATOM 0 HB2 ASP A 56 9.468 4.312 -9.682 1.00 0.00 H new ATOM 0 HB3 ASP A 56 8.918 4.745 -11.288 1.00 0.00 H new ATOM 897 N ASN A 57 6.774 2.450 -10.238 1.00 0.00 N ATOM 898 CA ASN A 57 6.194 1.344 -10.992 1.00 0.00 C ATOM 899 C ASN A 57 4.916 0.843 -10.327 1.00 0.00 C ATOM 900 O ASN A 57 4.601 -0.347 -10.377 1.00 0.00 O ATOM 901 CB ASN A 57 7.202 0.198 -11.112 1.00 0.00 C ATOM 902 CG ASN A 57 8.621 0.695 -11.306 1.00 0.00 C ATOM 903 OD1 ASN A 57 9.435 0.657 -10.383 1.00 0.00 O ATOM 904 ND2 ASN A 57 8.925 1.165 -12.510 1.00 0.00 N ATOM 0 H ASN A 57 7.213 2.177 -9.359 1.00 0.00 H new ATOM 0 HA ASN A 57 5.945 1.708 -11.989 1.00 0.00 H new ATOM 0 HB2 ASN A 57 7.155 -0.419 -10.215 1.00 0.00 H new ATOM 0 HB3 ASN A 57 6.925 -0.439 -11.952 1.00 0.00 H new ATOM 0 HD21 ASN A 57 9.865 1.513 -12.699 1.00 0.00 H new ATOM 0 HD22 ASN A 57 8.219 1.178 -13.246 1.00 0.00 H new ATOM 911 N LEU A 58 4.182 1.759 -9.704 1.00 0.00 N ATOM 912 CA LEU A 58 2.936 1.411 -9.029 1.00 0.00 C ATOM 913 C LEU A 58 1.788 2.287 -9.521 1.00 0.00 C ATOM 914 O LEU A 58 1.999 3.251 -10.257 1.00 0.00 O ATOM 915 CB LEU A 58 3.094 1.561 -7.515 1.00 0.00 C ATOM 916 CG LEU A 58 4.265 0.806 -6.885 1.00 0.00 C ATOM 917 CD1 LEU A 58 4.277 1.004 -5.377 1.00 0.00 C ATOM 918 CD2 LEU A 58 4.192 -0.675 -7.230 1.00 0.00 C ATOM 0 H LEU A 58 4.428 2.748 -9.652 1.00 0.00 H new ATOM 0 HA LEU A 58 2.703 0.372 -9.262 1.00 0.00 H new ATOM 0 HB2 LEU A 58 3.205 2.621 -7.284 1.00 0.00 H new ATOM 0 HB3 LEU A 58 2.173 1.226 -7.039 1.00 0.00 H new ATOM 0 HG LEU A 58 5.193 1.208 -7.291 1.00 0.00 H new ATOM 0 HD11 LEU A 58 5.117 0.460 -4.945 1.00 0.00 H new ATOM 0 HD12 LEU A 58 4.377 2.065 -5.150 1.00 0.00 H new ATOM 0 HD13 LEU A 58 3.345 0.629 -4.953 1.00 0.00 H new ATOM 0 HD21 LEU A 58 5.033 -1.197 -6.773 1.00 0.00 H new ATOM 0 HD22 LEU A 58 3.258 -1.091 -6.852 1.00 0.00 H new ATOM 0 HD23 LEU A 58 4.232 -0.799 -8.312 1.00 0.00 H new ATOM 930 N LYS A 59 0.572 1.945 -9.109 1.00 0.00 N ATOM 931 CA LYS A 59 -0.611 2.701 -9.504 1.00 0.00 C ATOM 932 C LYS A 59 -1.819 2.299 -8.664 1.00 0.00 C ATOM 933 O LYS A 59 -1.976 1.131 -8.305 1.00 0.00 O ATOM 934 CB LYS A 59 -0.911 2.480 -10.988 1.00 0.00 C ATOM 935 CG LYS A 59 -1.786 3.560 -11.599 1.00 0.00 C ATOM 936 CD LYS A 59 -0.954 4.700 -12.161 1.00 0.00 C ATOM 937 CE LYS A 59 -1.800 5.942 -12.402 1.00 0.00 C ATOM 938 NZ LYS A 59 -0.971 7.179 -12.437 1.00 0.00 N ATOM 0 H LYS A 59 0.380 1.149 -8.501 1.00 0.00 H new ATOM 0 HA LYS A 59 -0.409 3.759 -9.335 1.00 0.00 H new ATOM 0 HB2 LYS A 59 0.029 2.432 -11.537 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -1.401 1.514 -11.111 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -2.397 3.129 -12.392 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -2.470 3.946 -10.843 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -0.146 4.938 -11.469 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -0.491 4.387 -13.097 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -2.337 5.838 -13.345 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -2.550 6.029 -11.616 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -1.584 8.003 -12.603 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -0.478 7.292 -11.529 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -0.272 7.107 -13.204 1.00 0.00 H new ATOM 952 N ILE A 60 -2.671 3.271 -8.356 1.00 0.00 N ATOM 953 CA ILE A 60 -3.866 3.017 -7.562 1.00 0.00 C ATOM 954 C ILE A 60 -5.106 2.933 -8.445 1.00 0.00 C ATOM 955 O ILE A 60 -5.294 3.749 -9.347 1.00 0.00 O ATOM 956 CB ILE A 60 -4.079 4.112 -6.500 1.00 0.00 C ATOM 957 CG1 ILE A 60 -2.937 4.095 -5.482 1.00 0.00 C ATOM 958 CG2 ILE A 60 -5.419 3.920 -5.804 1.00 0.00 C ATOM 959 CD1 ILE A 60 -3.032 5.196 -4.449 1.00 0.00 C ATOM 0 H ILE A 60 -2.555 4.242 -8.645 1.00 0.00 H new ATOM 0 HA ILE A 60 -3.715 2.061 -7.061 1.00 0.00 H new ATOM 0 HB ILE A 60 -4.084 5.083 -6.996 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -2.928 3.131 -4.974 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -1.988 4.185 -6.011 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -5.556 4.701 -5.056 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -6.222 3.977 -6.539 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -5.440 2.945 -5.318 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -2.190 5.123 -3.760 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -3.010 6.165 -4.947 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -3.965 5.095 -3.894 1.00 0.00 H new ATOM 971 N ARG A 61 -5.949 1.941 -8.179 1.00 0.00 N ATOM 972 CA ARG A 61 -7.172 1.750 -8.949 1.00 0.00 C ATOM 973 C ARG A 61 -8.284 1.182 -8.072 1.00 0.00 C ATOM 974 O ARG A 61 -8.021 0.583 -7.029 1.00 0.00 O ATOM 975 CB ARG A 61 -6.914 0.816 -10.133 1.00 0.00 C ATOM 976 CG ARG A 61 -6.256 -0.496 -9.741 1.00 0.00 C ATOM 977 CD ARG A 61 -6.058 -1.402 -10.946 1.00 0.00 C ATOM 978 NE ARG A 61 -7.242 -2.212 -11.222 1.00 0.00 N ATOM 979 CZ ARG A 61 -7.425 -2.885 -12.352 1.00 0.00 C ATOM 980 NH1 ARG A 61 -6.506 -2.846 -13.307 1.00 0.00 N ATOM 981 NH2 ARG A 61 -8.529 -3.600 -12.529 1.00 0.00 N ATOM 0 H ARG A 61 -5.807 1.257 -7.436 1.00 0.00 H new ATOM 0 HA ARG A 61 -7.490 2.722 -9.325 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -7.860 0.604 -10.630 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -6.281 1.328 -10.858 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -5.292 -0.295 -9.273 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -6.871 -1.005 -8.999 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -5.822 -0.796 -11.820 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -5.204 -2.056 -10.771 1.00 0.00 H new ATOM 0 HE ARG A 61 -7.968 -2.263 -10.507 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -5.656 -2.298 -13.175 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -6.649 -3.364 -14.174 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -9.238 -3.633 -11.797 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -8.668 -4.116 -13.397 1.00 0.00 H new ATOM 995 N ASP A 62 -9.526 1.373 -8.502 1.00 0.00 N ATOM 996 CA ASP A 62 -10.678 0.879 -7.757 1.00 0.00 C ATOM 997 C ASP A 62 -10.864 -0.619 -7.975 1.00 0.00 C ATOM 998 O ASP A 62 -11.244 -1.057 -9.061 1.00 0.00 O ATOM 999 CB ASP A 62 -11.943 1.629 -8.177 1.00 0.00 C ATOM 1000 CG ASP A 62 -11.696 3.110 -8.387 1.00 0.00 C ATOM 1001 OD1 ASP A 62 -11.262 3.781 -7.428 1.00 0.00 O ATOM 1002 OD2 ASP A 62 -11.936 3.598 -9.512 1.00 0.00 O ATOM 0 H ASP A 62 -9.761 1.867 -9.363 1.00 0.00 H new ATOM 0 HA ASP A 62 -10.496 1.054 -6.697 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -12.330 1.194 -9.098 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -12.710 1.496 -7.414 1.00 0.00 H new ATOM 1007 N VAL A 63 -10.593 -1.401 -6.935 1.00 0.00 N ATOM 1008 CA VAL A 63 -10.730 -2.851 -7.012 1.00 0.00 C ATOM 1009 C VAL A 63 -12.197 -3.265 -7.001 1.00 0.00 C ATOM 1010 O VAL A 63 -12.990 -2.754 -6.211 1.00 0.00 O ATOM 1011 CB VAL A 63 -10.003 -3.546 -5.846 1.00 0.00 C ATOM 1012 CG1 VAL A 63 -10.558 -3.072 -4.511 1.00 0.00 C ATOM 1013 CG2 VAL A 63 -10.116 -5.058 -5.973 1.00 0.00 C ATOM 0 H VAL A 63 -10.277 -1.055 -6.029 1.00 0.00 H new ATOM 0 HA VAL A 63 -10.274 -3.163 -7.952 1.00 0.00 H new ATOM 0 HB VAL A 63 -8.947 -3.278 -5.889 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -10.032 -3.574 -3.699 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -10.420 -1.995 -4.421 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -11.621 -3.307 -4.455 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -9.597 -5.533 -5.141 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -11.167 -5.347 -5.957 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -9.666 -5.379 -6.912 1.00 0.00 H new ATOM 1023 N GLU A 64 -12.551 -4.195 -7.883 1.00 0.00 N ATOM 1024 CA GLU A 64 -13.924 -4.678 -7.974 1.00 0.00 C ATOM 1025 C GLU A 64 -14.549 -4.803 -6.588 1.00 0.00 C ATOM 1026 O GLU A 64 -13.924 -5.306 -5.654 1.00 0.00 O ATOM 1027 CB GLU A 64 -13.966 -6.030 -8.689 1.00 0.00 C ATOM 1028 CG GLU A 64 -13.098 -7.092 -8.035 1.00 0.00 C ATOM 1029 CD GLU A 64 -13.411 -8.489 -8.534 1.00 0.00 C ATOM 1030 OE1 GLU A 64 -14.601 -8.779 -8.776 1.00 0.00 O ATOM 1031 OE2 GLU A 64 -12.466 -9.292 -8.682 1.00 0.00 O ATOM 0 H GLU A 64 -11.906 -4.629 -8.544 1.00 0.00 H new ATOM 0 HA GLU A 64 -14.500 -3.953 -8.549 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -14.997 -6.383 -8.720 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -13.644 -5.895 -9.722 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -12.049 -6.868 -8.228 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -13.238 -7.056 -6.955 1.00 0.00 H new ATOM 1038 N LYS A 65 -15.789 -4.342 -6.461 1.00 0.00 N ATOM 1039 CA LYS A 65 -16.502 -4.402 -5.191 1.00 0.00 C ATOM 1040 C LYS A 65 -17.393 -5.639 -5.125 1.00 0.00 C ATOM 1041 O LYS A 65 -17.553 -6.354 -6.113 1.00 0.00 O ATOM 1042 CB LYS A 65 -17.347 -3.141 -4.996 1.00 0.00 C ATOM 1043 CG LYS A 65 -16.603 -2.011 -4.306 1.00 0.00 C ATOM 1044 CD LYS A 65 -15.897 -1.113 -5.309 1.00 0.00 C ATOM 1045 CE LYS A 65 -15.240 0.077 -4.627 1.00 0.00 C ATOM 1046 NZ LYS A 65 -13.950 -0.296 -3.983 1.00 0.00 N ATOM 0 H LYS A 65 -16.321 -3.922 -7.223 1.00 0.00 H new ATOM 0 HA LYS A 65 -15.764 -4.464 -4.392 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -17.697 -2.794 -5.968 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -18.231 -3.393 -4.411 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -17.304 -1.419 -3.717 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -15.873 -2.426 -3.611 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -15.142 -1.688 -5.846 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -16.614 -0.759 -6.050 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -15.066 0.865 -5.360 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -15.917 0.484 -3.876 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -13.533 0.542 -3.529 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -14.119 -1.030 -3.266 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -13.295 -0.661 -4.704 1.00 0.00 H new ATOM 1060 N GLY A 66 -17.972 -5.884 -3.953 1.00 0.00 N ATOM 1061 CA GLY A 66 -18.840 -7.034 -3.781 1.00 0.00 C ATOM 1062 C GLY A 66 -20.275 -6.740 -4.173 1.00 0.00 C ATOM 1063 O GLY A 66 -20.528 -6.075 -5.177 1.00 0.00 O ATOM 0 H GLY A 66 -17.855 -5.307 -3.120 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -18.465 -7.862 -4.382 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -18.809 -7.356 -2.740 1.00 0.00 H new ATOM 1067 N PHE A 67 -21.217 -7.239 -3.379 1.00 0.00 N ATOM 1068 CA PHE A 67 -22.635 -7.029 -3.650 1.00 0.00 C ATOM 1069 C PHE A 67 -23.212 -5.959 -2.728 1.00 0.00 C ATOM 1070 O PHE A 67 -23.973 -5.095 -3.162 1.00 0.00 O ATOM 1071 CB PHE A 67 -23.408 -8.338 -3.478 1.00 0.00 C ATOM 1072 CG PHE A 67 -24.661 -8.407 -4.303 1.00 0.00 C ATOM 1073 CD1 PHE A 67 -25.857 -7.905 -3.815 1.00 0.00 C ATOM 1074 CD2 PHE A 67 -24.643 -8.975 -5.567 1.00 0.00 C ATOM 1075 CE1 PHE A 67 -27.011 -7.967 -4.572 1.00 0.00 C ATOM 1076 CE2 PHE A 67 -25.795 -9.039 -6.329 1.00 0.00 C ATOM 1077 CZ PHE A 67 -26.981 -8.535 -5.830 1.00 0.00 C ATOM 0 H PHE A 67 -21.024 -7.791 -2.543 1.00 0.00 H new ATOM 0 HA PHE A 67 -22.736 -6.688 -4.680 1.00 0.00 H new ATOM 0 HB2 PHE A 67 -22.759 -9.172 -3.747 1.00 0.00 H new ATOM 0 HB3 PHE A 67 -23.667 -8.462 -2.427 1.00 0.00 H new ATOM 0 HD1 PHE A 67 -25.887 -7.460 -2.831 1.00 0.00 H new ATOM 0 HD2 PHE A 67 -23.719 -9.372 -5.961 1.00 0.00 H new ATOM 0 HE1 PHE A 67 -27.936 -7.571 -4.180 1.00 0.00 H new ATOM 0 HE2 PHE A 67 -25.768 -9.483 -7.313 1.00 0.00 H new ATOM 0 HZ PHE A 67 -27.882 -8.585 -6.423 1.00 0.00 H new ATOM 1087 N MET A 68 -22.844 -6.025 -1.452 1.00 0.00 N ATOM 1088 CA MET A 68 -23.325 -5.062 -0.468 1.00 0.00 C ATOM 1089 C MET A 68 -22.261 -4.009 -0.174 1.00 0.00 C ATOM 1090 O MET A 68 -21.150 -4.071 -0.700 1.00 0.00 O ATOM 1091 CB MET A 68 -23.724 -5.777 0.824 1.00 0.00 C ATOM 1092 CG MET A 68 -25.005 -6.584 0.701 1.00 0.00 C ATOM 1093 SD MET A 68 -25.220 -7.757 2.054 1.00 0.00 S ATOM 1094 CE MET A 68 -26.687 -8.631 1.515 1.00 0.00 C ATOM 0 H MET A 68 -22.215 -6.734 -1.076 1.00 0.00 H new ATOM 0 HA MET A 68 -24.201 -4.562 -0.882 1.00 0.00 H new ATOM 0 HB2 MET A 68 -22.914 -6.440 1.127 1.00 0.00 H new ATOM 0 HB3 MET A 68 -23.844 -5.038 1.616 1.00 0.00 H new ATOM 0 HG2 MET A 68 -25.857 -5.904 0.676 1.00 0.00 H new ATOM 0 HG3 MET A 68 -25.000 -7.124 -0.246 1.00 0.00 H new ATOM 0 HE1 MET A 68 -26.948 -9.392 2.250 1.00 0.00 H new ATOM 0 HE2 MET A 68 -27.513 -7.927 1.413 1.00 0.00 H new ATOM 0 HE3 MET A 68 -26.495 -9.106 0.553 1.00 0.00 H new ATOM 1104 N SER A 69 -22.609 -3.043 0.671 1.00 0.00 N ATOM 1105 CA SER A 69 -21.685 -1.975 1.032 1.00 0.00 C ATOM 1106 C SER A 69 -20.296 -2.534 1.325 1.00 0.00 C ATOM 1107 O SER A 69 -20.151 -3.519 2.048 1.00 0.00 O ATOM 1108 CB SER A 69 -22.207 -1.210 2.250 1.00 0.00 C ATOM 1109 OG SER A 69 -23.186 -0.258 1.873 1.00 0.00 O ATOM 0 H SER A 69 -23.524 -2.979 1.118 1.00 0.00 H new ATOM 0 HA SER A 69 -21.611 -1.291 0.187 1.00 0.00 H new ATOM 0 HB2 SER A 69 -22.634 -1.910 2.968 1.00 0.00 H new ATOM 0 HB3 SER A 69 -21.379 -0.707 2.749 1.00 0.00 H new ATOM 0 HG SER A 69 -23.505 0.216 2.669 1.00 0.00 H new ATOM 1115 N ASN A 70 -19.276 -1.896 0.758 1.00 0.00 N ATOM 1116 CA ASN A 70 -17.898 -2.329 0.957 1.00 0.00 C ATOM 1117 C ASN A 70 -17.040 -1.186 1.490 1.00 0.00 C ATOM 1118 O ASN A 70 -17.276 -0.019 1.175 1.00 0.00 O ATOM 1119 CB ASN A 70 -17.311 -2.853 -0.355 1.00 0.00 C ATOM 1120 CG ASN A 70 -16.180 -3.838 -0.131 1.00 0.00 C ATOM 1121 OD1 ASN A 70 -16.329 -4.813 0.607 1.00 0.00 O ATOM 1122 ND2 ASN A 70 -15.042 -3.587 -0.767 1.00 0.00 N ATOM 0 H ASN A 70 -19.378 -1.078 0.158 1.00 0.00 H new ATOM 0 HA ASN A 70 -17.899 -3.133 1.693 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -18.098 -3.334 -0.935 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -16.946 -2.014 -0.947 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -14.246 -4.214 -0.654 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -14.964 -2.767 -1.369 1.00 0.00 H new ATOM 1129 N LYS A 71 -16.044 -1.528 2.299 1.00 0.00 N ATOM 1130 CA LYS A 71 -15.148 -0.532 2.876 1.00 0.00 C ATOM 1131 C LYS A 71 -14.303 0.131 1.793 1.00 0.00 C ATOM 1132 O LYS A 71 -14.356 -0.257 0.625 1.00 0.00 O ATOM 1133 CB LYS A 71 -14.239 -1.179 3.923 1.00 0.00 C ATOM 1134 CG LYS A 71 -14.894 -1.335 5.284 1.00 0.00 C ATOM 1135 CD LYS A 71 -15.611 -2.669 5.409 1.00 0.00 C ATOM 1136 CE LYS A 71 -14.664 -3.771 5.859 1.00 0.00 C ATOM 1137 NZ LYS A 71 -13.947 -4.389 4.709 1.00 0.00 N ATOM 0 H LYS A 71 -15.836 -2.489 2.571 1.00 0.00 H new ATOM 0 HA LYS A 71 -15.757 0.234 3.357 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -13.927 -2.160 3.565 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -13.337 -0.577 4.030 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -14.137 -1.253 6.064 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -15.604 -0.523 5.442 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -16.430 -2.578 6.123 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -16.053 -2.937 4.449 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -13.938 -3.362 6.562 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -15.226 -4.538 6.391 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -13.675 -5.363 4.952 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -14.571 -4.402 3.877 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -13.094 -3.835 4.493 1.00 0.00 H new ATOM 1151 N HIS A 72 -13.522 1.131 2.188 1.00 0.00 N ATOM 1152 CA HIS A 72 -12.663 1.847 1.250 1.00 0.00 C ATOM 1153 C HIS A 72 -11.285 1.196 1.171 1.00 0.00 C ATOM 1154 O HIS A 72 -10.427 1.431 2.021 1.00 0.00 O ATOM 1155 CB HIS A 72 -12.526 3.311 1.668 1.00 0.00 C ATOM 1156 CG HIS A 72 -13.768 3.878 2.283 1.00 0.00 C ATOM 1157 ND1 HIS A 72 -14.628 4.716 1.606 1.00 0.00 N ATOM 1158 CD2 HIS A 72 -14.294 3.721 3.521 1.00 0.00 C ATOM 1159 CE1 HIS A 72 -15.629 5.052 2.401 1.00 0.00 C ATOM 1160 NE2 HIS A 72 -15.450 4.461 3.568 1.00 0.00 N ATOM 0 H HIS A 72 -13.466 1.464 3.150 1.00 0.00 H new ATOM 0 HA HIS A 72 -13.124 1.801 0.263 1.00 0.00 H new ATOM 0 HB2 HIS A 72 -11.705 3.402 2.379 1.00 0.00 H new ATOM 0 HB3 HIS A 72 -12.259 3.906 0.795 1.00 0.00 H new ATOM 0 HD2 HIS A 72 -13.881 3.125 4.322 1.00 0.00 H new ATOM 0 HE1 HIS A 72 -16.453 5.700 2.140 1.00 0.00 H new ATOM 0 HE2 HIS A 72 -16.070 4.541 4.374 1.00 0.00 H new ATOM 1169 N VAL A 73 -11.082 0.377 0.144 1.00 0.00 N ATOM 1170 CA VAL A 73 -9.808 -0.307 -0.047 1.00 0.00 C ATOM 1171 C VAL A 73 -9.342 -0.206 -1.494 1.00 0.00 C ATOM 1172 O VAL A 73 -10.078 -0.548 -2.420 1.00 0.00 O ATOM 1173 CB VAL A 73 -9.905 -1.793 0.348 1.00 0.00 C ATOM 1174 CG1 VAL A 73 -11.127 -2.436 -0.289 1.00 0.00 C ATOM 1175 CG2 VAL A 73 -8.636 -2.533 -0.048 1.00 0.00 C ATOM 0 H VAL A 73 -11.783 0.171 -0.568 1.00 0.00 H new ATOM 0 HA VAL A 73 -9.083 0.187 0.600 1.00 0.00 H new ATOM 0 HB VAL A 73 -10.013 -1.857 1.431 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -11.179 -3.485 0.001 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -12.027 -1.921 0.048 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -11.053 -2.363 -1.374 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -8.722 -3.581 0.238 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -8.495 -2.462 -1.126 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -7.781 -2.087 0.460 1.00 0.00 H new ATOM 1185 N PHE A 74 -8.114 0.265 -1.683 1.00 0.00 N ATOM 1186 CA PHE A 74 -7.548 0.412 -3.019 1.00 0.00 C ATOM 1187 C PHE A 74 -6.404 -0.575 -3.237 1.00 0.00 C ATOM 1188 O PHE A 74 -5.602 -0.820 -2.336 1.00 0.00 O ATOM 1189 CB PHE A 74 -7.049 1.843 -3.230 1.00 0.00 C ATOM 1190 CG PHE A 74 -5.945 2.237 -2.292 1.00 0.00 C ATOM 1191 CD1 PHE A 74 -4.626 1.927 -2.584 1.00 0.00 C ATOM 1192 CD2 PHE A 74 -6.225 2.918 -1.119 1.00 0.00 C ATOM 1193 CE1 PHE A 74 -3.607 2.289 -1.723 1.00 0.00 C ATOM 1194 CE2 PHE A 74 -5.210 3.283 -0.254 1.00 0.00 C ATOM 1195 CZ PHE A 74 -3.900 2.967 -0.556 1.00 0.00 C ATOM 0 H PHE A 74 -7.491 0.552 -0.928 1.00 0.00 H new ATOM 0 HA PHE A 74 -8.333 0.198 -3.744 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -6.698 1.949 -4.256 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -7.884 2.533 -3.106 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -4.392 1.396 -3.495 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -7.248 3.167 -0.877 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -2.583 2.042 -1.963 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -5.441 3.815 0.657 1.00 0.00 H new ATOM 0 HZ PHE A 74 -3.106 3.250 0.119 1.00 0.00 H new ATOM 1205 N ALA A 75 -6.338 -1.138 -4.439 1.00 0.00 N ATOM 1206 CA ALA A 75 -5.292 -2.097 -4.776 1.00 0.00 C ATOM 1207 C ALA A 75 -4.151 -1.422 -5.530 1.00 0.00 C ATOM 1208 O ALA A 75 -4.373 -0.496 -6.311 1.00 0.00 O ATOM 1209 CB ALA A 75 -5.870 -3.238 -5.600 1.00 0.00 C ATOM 0 H ALA A 75 -6.995 -0.947 -5.195 1.00 0.00 H new ATOM 0 HA ALA A 75 -4.889 -2.501 -3.847 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -5.079 -3.947 -5.845 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -6.646 -3.744 -5.026 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -6.299 -2.841 -6.520 1.00 0.00 H new ATOM 1215 N ILE A 76 -2.931 -1.891 -5.290 1.00 0.00 N ATOM 1216 CA ILE A 76 -1.756 -1.333 -5.947 1.00 0.00 C ATOM 1217 C ILE A 76 -1.162 -2.321 -6.944 1.00 0.00 C ATOM 1218 O ILE A 76 -0.706 -3.401 -6.568 1.00 0.00 O ATOM 1219 CB ILE A 76 -0.674 -0.938 -4.925 1.00 0.00 C ATOM 1220 CG1 ILE A 76 -1.135 0.264 -4.099 1.00 0.00 C ATOM 1221 CG2 ILE A 76 0.637 -0.630 -5.634 1.00 0.00 C ATOM 1222 CD1 ILE A 76 -0.215 0.592 -2.944 1.00 0.00 C ATOM 0 H ILE A 76 -2.731 -2.656 -4.646 1.00 0.00 H new ATOM 0 HA ILE A 76 -2.086 -0.440 -6.478 1.00 0.00 H new ATOM 0 HB ILE A 76 -0.510 -1.777 -4.249 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -1.211 1.134 -4.751 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -2.135 0.067 -3.712 1.00 0.00 H new ATOM 0 HG21 ILE A 76 1.392 -0.352 -4.898 1.00 0.00 H new ATOM 0 HG22 ILE A 76 0.971 -1.512 -6.181 1.00 0.00 H new ATOM 0 HG23 ILE A 76 0.489 0.195 -6.331 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -0.604 1.455 -2.403 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -0.157 -0.263 -2.271 1.00 0.00 H new ATOM 0 HD13 ILE A 76 0.780 0.821 -3.325 1.00 0.00 H new ATOM 1234 N PHE A 77 -1.169 -1.945 -8.219 1.00 0.00 N ATOM 1235 CA PHE A 77 -0.630 -2.798 -9.271 1.00 0.00 C ATOM 1236 C PHE A 77 0.585 -2.149 -9.928 1.00 0.00 C ATOM 1237 O PHE A 77 0.842 -0.960 -9.745 1.00 0.00 O ATOM 1238 CB PHE A 77 -1.702 -3.083 -10.325 1.00 0.00 C ATOM 1239 CG PHE A 77 -2.117 -1.867 -11.103 1.00 0.00 C ATOM 1240 CD1 PHE A 77 -3.079 -1.004 -10.603 1.00 0.00 C ATOM 1241 CD2 PHE A 77 -1.545 -1.587 -12.333 1.00 0.00 C ATOM 1242 CE1 PHE A 77 -3.463 0.116 -11.316 1.00 0.00 C ATOM 1243 CE2 PHE A 77 -1.925 -0.468 -13.050 1.00 0.00 C ATOM 1244 CZ PHE A 77 -2.886 0.384 -12.542 1.00 0.00 C ATOM 0 H PHE A 77 -1.542 -1.055 -8.548 1.00 0.00 H new ATOM 0 HA PHE A 77 -0.317 -3.738 -8.817 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -1.328 -3.837 -11.017 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -2.578 -3.507 -9.835 1.00 0.00 H new ATOM 0 HD1 PHE A 77 -3.534 -1.209 -9.645 1.00 0.00 H new ATOM 0 HD2 PHE A 77 -0.794 -2.250 -12.736 1.00 0.00 H new ATOM 0 HE1 PHE A 77 -4.214 0.781 -10.915 1.00 0.00 H new ATOM 0 HE2 PHE A 77 -1.470 -0.260 -14.007 1.00 0.00 H new ATOM 0 HZ PHE A 77 -3.186 1.258 -13.102 1.00 0.00 H new ATOM 1254 N ASN A 78 1.329 -2.941 -10.694 1.00 0.00 N ATOM 1255 CA ASN A 78 2.518 -2.445 -11.378 1.00 0.00 C ATOM 1256 C ASN A 78 2.220 -2.154 -12.846 1.00 0.00 C ATOM 1257 O ASN A 78 1.902 -3.059 -13.618 1.00 0.00 O ATOM 1258 CB ASN A 78 3.656 -3.461 -11.268 1.00 0.00 C ATOM 1259 CG ASN A 78 5.023 -2.815 -11.386 1.00 0.00 C ATOM 1260 OD1 ASN A 78 5.411 -2.349 -12.457 1.00 0.00 O ATOM 1261 ND2 ASN A 78 5.759 -2.783 -10.281 1.00 0.00 N ATOM 0 H ASN A 78 1.130 -3.928 -10.856 1.00 0.00 H new ATOM 0 HA ASN A 78 2.822 -1.516 -10.897 1.00 0.00 H new ATOM 0 HB2 ASN A 78 3.584 -3.980 -10.312 1.00 0.00 H new ATOM 0 HB3 ASN A 78 3.544 -4.213 -12.049 1.00 0.00 H new ATOM 0 HD21 ASN A 78 6.687 -2.360 -10.298 1.00 0.00 H new ATOM 0 HD22 ASN A 78 5.396 -3.182 -9.415 1.00 0.00 H new ATOM 1268 N THR A 79 2.326 -0.884 -13.225 1.00 0.00 N ATOM 1269 CA THR A 79 2.067 -0.473 -14.599 1.00 0.00 C ATOM 1270 C THR A 79 2.950 -1.240 -15.578 1.00 0.00 C ATOM 1271 O THR A 79 2.558 -1.488 -16.717 1.00 0.00 O ATOM 1272 CB THR A 79 2.303 1.037 -14.788 1.00 0.00 C ATOM 1273 OG1 THR A 79 3.636 1.378 -14.390 1.00 0.00 O ATOM 1274 CG2 THR A 79 1.303 1.847 -13.976 1.00 0.00 C ATOM 0 H THR A 79 2.589 -0.123 -12.599 1.00 0.00 H new ATOM 0 HA THR A 79 1.020 -0.698 -14.804 1.00 0.00 H new ATOM 0 HB THR A 79 2.167 1.274 -15.843 1.00 0.00 H new ATOM 0 HG1 THR A 79 3.779 2.339 -14.515 1.00 0.00 H new ATOM 0 HG21 THR A 79 1.489 2.910 -14.125 1.00 0.00 H new ATOM 0 HG22 THR A 79 0.291 1.607 -14.301 1.00 0.00 H new ATOM 0 HG23 THR A 79 1.412 1.605 -12.919 1.00 0.00 H new ATOM 1282 N GLU A 80 4.142 -1.613 -15.124 1.00 0.00 N ATOM 1283 CA GLU A 80 5.080 -2.352 -15.962 1.00 0.00 C ATOM 1284 C GLU A 80 4.683 -3.823 -16.056 1.00 0.00 C ATOM 1285 O GLU A 80 3.743 -4.265 -15.396 1.00 0.00 O ATOM 1286 CB GLU A 80 6.500 -2.231 -15.405 1.00 0.00 C ATOM 1287 CG GLU A 80 7.012 -0.801 -15.349 1.00 0.00 C ATOM 1288 CD GLU A 80 6.915 -0.094 -16.687 1.00 0.00 C ATOM 1289 OE1 GLU A 80 7.879 -0.183 -17.476 1.00 0.00 O ATOM 1290 OE2 GLU A 80 5.875 0.547 -16.944 1.00 0.00 O ATOM 0 H GLU A 80 4.481 -1.416 -14.182 1.00 0.00 H new ATOM 0 HA GLU A 80 5.051 -1.921 -16.963 1.00 0.00 H new ATOM 0 HB2 GLU A 80 6.525 -2.657 -14.402 1.00 0.00 H new ATOM 0 HB3 GLU A 80 7.175 -2.826 -16.021 1.00 0.00 H new ATOM 0 HG2 GLU A 80 6.442 -0.244 -14.606 1.00 0.00 H new ATOM 0 HG3 GLU A 80 8.051 -0.804 -15.018 1.00 0.00 H new ATOM 1297 N GLN A 81 5.406 -4.573 -16.882 1.00 0.00 N ATOM 1298 CA GLN A 81 5.128 -5.993 -17.064 1.00 0.00 C ATOM 1299 C GLN A 81 5.807 -6.823 -15.980 1.00 0.00 C ATOM 1300 O GLN A 81 6.740 -7.577 -16.256 1.00 0.00 O ATOM 1301 CB GLN A 81 5.597 -6.453 -18.445 1.00 0.00 C ATOM 1302 CG GLN A 81 6.809 -5.693 -18.960 1.00 0.00 C ATOM 1303 CD GLN A 81 7.415 -6.330 -20.195 1.00 0.00 C ATOM 1304 OE1 GLN A 81 8.069 -7.371 -20.114 1.00 0.00 O ATOM 1305 NE2 GLN A 81 7.201 -5.707 -21.348 1.00 0.00 N ATOM 0 H GLN A 81 6.188 -4.221 -17.435 1.00 0.00 H new ATOM 0 HA GLN A 81 4.051 -6.140 -16.987 1.00 0.00 H new ATOM 0 HB2 GLN A 81 5.836 -7.516 -18.403 1.00 0.00 H new ATOM 0 HB3 GLN A 81 4.778 -6.338 -19.155 1.00 0.00 H new ATOM 0 HG2 GLN A 81 6.520 -4.667 -19.190 1.00 0.00 H new ATOM 0 HG3 GLN A 81 7.563 -5.643 -18.174 1.00 0.00 H new ATOM 0 HE21 GLN A 81 6.653 -4.847 -21.369 1.00 0.00 H new ATOM 0 HE22 GLN A 81 7.584 -6.089 -22.213 1.00 0.00 H new ATOM 1314 N ARG A 82 5.333 -6.680 -14.747 1.00 0.00 N ATOM 1315 CA ARG A 82 5.896 -7.416 -13.621 1.00 0.00 C ATOM 1316 C ARG A 82 4.888 -7.519 -12.480 1.00 0.00 C ATOM 1317 O ARG A 82 3.767 -7.022 -12.582 1.00 0.00 O ATOM 1318 CB ARG A 82 7.173 -6.735 -13.127 1.00 0.00 C ATOM 1319 CG ARG A 82 6.935 -5.369 -12.506 1.00 0.00 C ATOM 1320 CD ARG A 82 8.225 -4.766 -11.973 1.00 0.00 C ATOM 1321 NE ARG A 82 9.135 -4.381 -13.048 1.00 0.00 N ATOM 1322 CZ ARG A 82 9.989 -5.219 -13.623 1.00 0.00 C ATOM 1323 NH1 ARG A 82 10.050 -6.483 -13.229 1.00 0.00 N ATOM 1324 NH2 ARG A 82 10.785 -4.793 -14.596 1.00 0.00 N ATOM 0 H ARG A 82 4.560 -6.061 -14.502 1.00 0.00 H new ATOM 0 HA ARG A 82 6.137 -8.423 -13.962 1.00 0.00 H new ATOM 0 HB2 ARG A 82 7.657 -7.379 -12.393 1.00 0.00 H new ATOM 0 HB3 ARG A 82 7.864 -6.629 -13.963 1.00 0.00 H new ATOM 0 HG2 ARG A 82 6.500 -4.701 -13.250 1.00 0.00 H new ATOM 0 HG3 ARG A 82 6.212 -5.458 -11.695 1.00 0.00 H new ATOM 0 HD2 ARG A 82 7.992 -3.892 -11.365 1.00 0.00 H new ATOM 0 HD3 ARG A 82 8.719 -5.486 -11.320 1.00 0.00 H new ATOM 0 HE ARG A 82 9.113 -3.415 -13.375 1.00 0.00 H new ATOM 0 HH11 ARG A 82 9.440 -6.814 -12.482 1.00 0.00 H new ATOM 0 HH12 ARG A 82 10.707 -7.124 -13.673 1.00 0.00 H new ATOM 0 HH21 ARG A 82 10.741 -3.821 -14.902 1.00 0.00 H new ATOM 0 HH22 ARG A 82 11.441 -5.438 -15.037 1.00 0.00 H new ATOM 1338 N ASN A 83 5.295 -8.168 -11.394 1.00 0.00 N ATOM 1339 CA ASN A 83 4.427 -8.338 -10.235 1.00 0.00 C ATOM 1340 C ASN A 83 4.686 -7.249 -9.198 1.00 0.00 C ATOM 1341 O ASN A 83 5.668 -6.511 -9.288 1.00 0.00 O ATOM 1342 CB ASN A 83 4.643 -9.716 -9.607 1.00 0.00 C ATOM 1343 CG ASN A 83 6.110 -10.025 -9.381 1.00 0.00 C ATOM 1344 OD1 ASN A 83 6.606 -9.944 -8.257 1.00 0.00 O ATOM 1345 ND2 ASN A 83 6.812 -10.382 -10.450 1.00 0.00 N ATOM 0 H ASN A 83 6.220 -8.585 -11.293 1.00 0.00 H new ATOM 0 HA ASN A 83 3.393 -8.258 -10.572 1.00 0.00 H new ATOM 0 HB2 ASN A 83 4.113 -9.766 -8.656 1.00 0.00 H new ATOM 0 HB3 ASN A 83 4.209 -10.479 -10.254 1.00 0.00 H new ATOM 0 HD21 ASN A 83 7.804 -10.602 -10.359 1.00 0.00 H new ATOM 0 HD22 ASN A 83 6.360 -10.436 -11.363 1.00 0.00 H new ATOM 1352 N VAL A 84 3.799 -7.154 -8.213 1.00 0.00 N ATOM 1353 CA VAL A 84 3.932 -6.157 -7.157 1.00 0.00 C ATOM 1354 C VAL A 84 4.525 -6.770 -5.894 1.00 0.00 C ATOM 1355 O VAL A 84 5.634 -6.425 -5.486 1.00 0.00 O ATOM 1356 CB VAL A 84 2.573 -5.517 -6.815 1.00 0.00 C ATOM 1357 CG1 VAL A 84 2.636 -4.819 -5.465 1.00 0.00 C ATOM 1358 CG2 VAL A 84 2.151 -4.547 -7.908 1.00 0.00 C ATOM 0 H VAL A 84 2.980 -7.756 -8.124 1.00 0.00 H new ATOM 0 HA VAL A 84 4.604 -5.386 -7.533 1.00 0.00 H new ATOM 0 HB VAL A 84 1.824 -6.307 -6.754 1.00 0.00 H new ATOM 0 HG11 VAL A 84 1.667 -4.373 -5.240 1.00 0.00 H new ATOM 0 HG12 VAL A 84 2.890 -5.544 -4.692 1.00 0.00 H new ATOM 0 HG13 VAL A 84 3.397 -4.039 -5.494 1.00 0.00 H new ATOM 0 HG21 VAL A 84 1.189 -4.104 -7.650 1.00 0.00 H new ATOM 0 HG22 VAL A 84 2.899 -3.760 -8.004 1.00 0.00 H new ATOM 0 HG23 VAL A 84 2.063 -5.081 -8.854 1.00 0.00 H new ATOM 1368 N TYR A 85 3.779 -7.681 -5.278 1.00 0.00 N ATOM 1369 CA TYR A 85 4.231 -8.341 -4.059 1.00 0.00 C ATOM 1370 C TYR A 85 4.923 -9.662 -4.380 1.00 0.00 C ATOM 1371 O TYR A 85 5.120 -10.007 -5.545 1.00 0.00 O ATOM 1372 CB TYR A 85 3.049 -8.586 -3.119 1.00 0.00 C ATOM 1373 CG TYR A 85 3.440 -8.652 -1.660 1.00 0.00 C ATOM 1374 CD1 TYR A 85 3.907 -7.525 -0.994 1.00 0.00 C ATOM 1375 CD2 TYR A 85 3.342 -9.841 -0.948 1.00 0.00 C ATOM 1376 CE1 TYR A 85 4.266 -7.581 0.339 1.00 0.00 C ATOM 1377 CE2 TYR A 85 3.697 -9.905 0.386 1.00 0.00 C ATOM 1378 CZ TYR A 85 4.159 -8.773 1.024 1.00 0.00 C ATOM 1379 OH TYR A 85 4.515 -8.834 2.352 1.00 0.00 O ATOM 0 H TYR A 85 2.859 -7.979 -5.603 1.00 0.00 H new ATOM 0 HA TYR A 85 4.949 -7.686 -3.566 1.00 0.00 H new ATOM 0 HB2 TYR A 85 2.317 -7.790 -3.255 1.00 0.00 H new ATOM 0 HB3 TYR A 85 2.561 -9.520 -3.398 1.00 0.00 H new ATOM 0 HD1 TYR A 85 3.991 -6.590 -1.527 1.00 0.00 H new ATOM 0 HD2 TYR A 85 2.982 -10.730 -1.445 1.00 0.00 H new ATOM 0 HE1 TYR A 85 4.628 -6.696 0.842 1.00 0.00 H new ATOM 0 HE2 TYR A 85 3.613 -10.837 0.926 1.00 0.00 H new ATOM 0 HH TYR A 85 4.379 -9.745 2.686 1.00 0.00 H new ATOM 1389 N LYS A 86 5.288 -10.399 -3.336 1.00 0.00 N ATOM 1390 CA LYS A 86 5.956 -11.685 -3.503 1.00 0.00 C ATOM 1391 C LYS A 86 5.078 -12.657 -4.284 1.00 0.00 C ATOM 1392 O LYS A 86 5.456 -13.124 -5.358 1.00 0.00 O ATOM 1393 CB LYS A 86 6.308 -12.281 -2.138 1.00 0.00 C ATOM 1394 CG LYS A 86 7.627 -11.779 -1.577 1.00 0.00 C ATOM 1395 CD LYS A 86 7.750 -12.078 -0.092 1.00 0.00 C ATOM 1396 CE LYS A 86 6.956 -11.087 0.744 1.00 0.00 C ATOM 1397 NZ LYS A 86 7.279 -11.199 2.193 1.00 0.00 N ATOM 0 H LYS A 86 5.132 -10.128 -2.365 1.00 0.00 H new ATOM 0 HA LYS A 86 6.874 -11.519 -4.067 1.00 0.00 H new ATOM 0 HB2 LYS A 86 5.510 -12.048 -1.433 1.00 0.00 H new ATOM 0 HB3 LYS A 86 6.349 -13.367 -2.225 1.00 0.00 H new ATOM 0 HG2 LYS A 86 8.453 -12.246 -2.113 1.00 0.00 H new ATOM 0 HG3 LYS A 86 7.708 -10.704 -1.741 1.00 0.00 H new ATOM 0 HD2 LYS A 86 7.396 -13.089 0.107 1.00 0.00 H new ATOM 0 HD3 LYS A 86 8.799 -12.044 0.201 1.00 0.00 H new ATOM 0 HE2 LYS A 86 7.166 -10.073 0.402 1.00 0.00 H new ATOM 0 HE3 LYS A 86 5.890 -11.259 0.595 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 6.717 -10.507 2.728 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 7.055 -12.159 2.526 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 8.291 -11.010 2.339 1.00 0.00 H new ATOM 1411 N ASP A 87 3.905 -12.957 -3.737 1.00 0.00 N ATOM 1412 CA ASP A 87 2.971 -13.872 -4.384 1.00 0.00 C ATOM 1413 C ASP A 87 1.620 -13.201 -4.608 1.00 0.00 C ATOM 1414 O ASP A 87 0.576 -13.852 -4.560 1.00 0.00 O ATOM 1415 CB ASP A 87 2.794 -15.134 -3.539 1.00 0.00 C ATOM 1416 CG ASP A 87 3.956 -16.097 -3.685 1.00 0.00 C ATOM 1417 OD1 ASP A 87 4.248 -16.507 -4.829 1.00 0.00 O ATOM 1418 OD2 ASP A 87 4.575 -16.440 -2.657 1.00 0.00 O ATOM 0 H ASP A 87 3.578 -12.580 -2.847 1.00 0.00 H new ATOM 0 HA ASP A 87 3.384 -14.148 -5.354 1.00 0.00 H new ATOM 0 HB2 ASP A 87 2.688 -14.854 -2.491 1.00 0.00 H new ATOM 0 HB3 ASP A 87 1.871 -15.636 -3.830 1.00 0.00 H new ATOM 1423 N LEU A 88 1.647 -11.895 -4.852 1.00 0.00 N ATOM 1424 CA LEU A 88 0.423 -11.135 -5.083 1.00 0.00 C ATOM 1425 C LEU A 88 0.622 -10.108 -6.194 1.00 0.00 C ATOM 1426 O LEU A 88 1.476 -9.228 -6.094 1.00 0.00 O ATOM 1427 CB LEU A 88 -0.014 -10.432 -3.796 1.00 0.00 C ATOM 1428 CG LEU A 88 0.125 -11.244 -2.508 1.00 0.00 C ATOM 1429 CD1 LEU A 88 0.008 -10.338 -1.292 1.00 0.00 C ATOM 1430 CD2 LEU A 88 -0.921 -12.348 -2.457 1.00 0.00 C ATOM 0 H LEU A 88 2.502 -11.341 -4.895 1.00 0.00 H new ATOM 0 HA LEU A 88 -0.356 -11.832 -5.392 1.00 0.00 H new ATOM 0 HB2 LEU A 88 0.569 -9.517 -3.690 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -1.057 -10.135 -3.904 1.00 0.00 H new ATOM 0 HG LEU A 88 1.112 -11.707 -2.497 1.00 0.00 H new ATOM 0 HD11 LEU A 88 0.109 -10.933 -0.384 1.00 0.00 H new ATOM 0 HD12 LEU A 88 0.795 -9.585 -1.322 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -0.965 -9.846 -1.297 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -0.807 -12.915 -1.533 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -1.917 -11.907 -2.491 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -0.789 -13.014 -3.310 1.00 0.00 H new ATOM 1442 N ARG A 89 -0.175 -10.227 -7.251 1.00 0.00 N ATOM 1443 CA ARG A 89 -0.088 -9.309 -8.380 1.00 0.00 C ATOM 1444 C ARG A 89 -0.344 -7.872 -7.934 1.00 0.00 C ATOM 1445 O ARG A 89 0.335 -6.946 -8.375 1.00 0.00 O ATOM 1446 CB ARG A 89 -1.091 -9.704 -9.465 1.00 0.00 C ATOM 1447 CG ARG A 89 -0.795 -9.088 -10.823 1.00 0.00 C ATOM 1448 CD ARG A 89 -1.726 -9.631 -11.896 1.00 0.00 C ATOM 1449 NE ARG A 89 -1.430 -11.022 -12.225 1.00 0.00 N ATOM 1450 CZ ARG A 89 -1.869 -11.627 -13.323 1.00 0.00 C ATOM 1451 NH1 ARG A 89 -2.621 -10.966 -14.193 1.00 0.00 N ATOM 1452 NH2 ARG A 89 -1.557 -12.896 -13.553 1.00 0.00 N ATOM 0 H ARG A 89 -0.888 -10.950 -7.349 1.00 0.00 H new ATOM 0 HA ARG A 89 0.921 -9.370 -8.788 1.00 0.00 H new ATOM 0 HB2 ARG A 89 -1.099 -10.790 -9.562 1.00 0.00 H new ATOM 0 HB3 ARG A 89 -2.091 -9.405 -9.150 1.00 0.00 H new ATOM 0 HG2 ARG A 89 -0.900 -8.005 -10.763 1.00 0.00 H new ATOM 0 HG3 ARG A 89 0.239 -9.293 -11.099 1.00 0.00 H new ATOM 0 HD2 ARG A 89 -2.758 -9.551 -11.555 1.00 0.00 H new ATOM 0 HD3 ARG A 89 -1.639 -9.020 -12.794 1.00 0.00 H new ATOM 0 HE ARG A 89 -0.854 -11.559 -11.576 1.00 0.00 H new ATOM 0 HH11 ARG A 89 -2.864 -9.991 -14.020 1.00 0.00 H new ATOM 0 HH12 ARG A 89 -2.957 -11.433 -15.035 1.00 0.00 H new ATOM 0 HH21 ARG A 89 -0.979 -13.408 -12.886 1.00 0.00 H new ATOM 0 HH22 ARG A 89 -1.895 -13.359 -14.397 1.00 0.00 H new ATOM 1466 N GLN A 90 -1.328 -7.697 -7.058 1.00 0.00 N ATOM 1467 CA GLN A 90 -1.674 -6.373 -6.554 1.00 0.00 C ATOM 1468 C GLN A 90 -1.899 -6.407 -5.046 1.00 0.00 C ATOM 1469 O GLN A 90 -2.407 -7.390 -4.506 1.00 0.00 O ATOM 1470 CB GLN A 90 -2.927 -5.848 -7.257 1.00 0.00 C ATOM 1471 CG GLN A 90 -4.018 -6.894 -7.418 1.00 0.00 C ATOM 1472 CD GLN A 90 -4.865 -7.050 -6.170 1.00 0.00 C ATOM 1473 OE1 GLN A 90 -4.568 -6.467 -5.127 1.00 0.00 O ATOM 1474 NE2 GLN A 90 -5.928 -7.839 -6.271 1.00 0.00 N ATOM 0 H GLN A 90 -1.899 -8.454 -6.683 1.00 0.00 H new ATOM 0 HA GLN A 90 -0.841 -5.702 -6.764 1.00 0.00 H new ATOM 0 HB2 GLN A 90 -3.324 -5.005 -6.692 1.00 0.00 H new ATOM 0 HB3 GLN A 90 -2.650 -5.470 -8.241 1.00 0.00 H new ATOM 0 HG2 GLN A 90 -4.659 -6.619 -8.256 1.00 0.00 H new ATOM 0 HG3 GLN A 90 -3.563 -7.853 -7.666 1.00 0.00 H new ATOM 0 HE21 GLN A 90 -6.137 -8.303 -7.155 1.00 0.00 H new ATOM 0 HE22 GLN A 90 -6.536 -7.981 -5.464 1.00 0.00 H new ATOM 1483 N ILE A 91 -1.518 -5.327 -4.372 1.00 0.00 N ATOM 1484 CA ILE A 91 -1.679 -5.234 -2.926 1.00 0.00 C ATOM 1485 C ILE A 91 -2.899 -4.395 -2.562 1.00 0.00 C ATOM 1486 O ILE A 91 -3.014 -3.240 -2.970 1.00 0.00 O ATOM 1487 CB ILE A 91 -0.433 -4.623 -2.259 1.00 0.00 C ATOM 1488 CG1 ILE A 91 0.818 -5.419 -2.638 1.00 0.00 C ATOM 1489 CG2 ILE A 91 -0.606 -4.585 -0.748 1.00 0.00 C ATOM 1490 CD1 ILE A 91 2.110 -4.694 -2.336 1.00 0.00 C ATOM 0 H ILE A 91 -1.096 -4.505 -4.804 1.00 0.00 H new ATOM 0 HA ILE A 91 -1.817 -6.251 -2.558 1.00 0.00 H new ATOM 0 HB ILE A 91 -0.312 -3.601 -2.617 1.00 0.00 H new ATOM 0 HG12 ILE A 91 0.810 -6.369 -2.103 1.00 0.00 H new ATOM 0 HG13 ILE A 91 0.782 -5.652 -3.702 1.00 0.00 H new ATOM 0 HG21 ILE A 91 0.283 -4.151 -0.291 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -1.476 -3.979 -0.497 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -0.749 -5.598 -0.373 1.00 0.00 H new ATOM 0 HD11 ILE A 91 2.954 -5.317 -2.630 1.00 0.00 H new ATOM 0 HD12 ILE A 91 2.140 -3.757 -2.892 1.00 0.00 H new ATOM 0 HD13 ILE A 91 2.169 -4.485 -1.268 1.00 0.00 H new ATOM 1502 N GLU A 92 -3.808 -4.985 -1.791 1.00 0.00 N ATOM 1503 CA GLU A 92 -5.019 -4.290 -1.371 1.00 0.00 C ATOM 1504 C GLU A 92 -4.848 -3.691 0.022 1.00 0.00 C ATOM 1505 O GLU A 92 -4.614 -4.410 0.994 1.00 0.00 O ATOM 1506 CB GLU A 92 -6.213 -5.248 -1.384 1.00 0.00 C ATOM 1507 CG GLU A 92 -6.855 -5.401 -2.752 1.00 0.00 C ATOM 1508 CD GLU A 92 -8.270 -5.941 -2.675 1.00 0.00 C ATOM 1509 OE1 GLU A 92 -9.144 -5.240 -2.122 1.00 0.00 O ATOM 1510 OE2 GLU A 92 -8.504 -7.064 -3.168 1.00 0.00 O ATOM 0 H GLU A 92 -3.728 -5.941 -1.445 1.00 0.00 H new ATOM 0 HA GLU A 92 -5.205 -3.479 -2.075 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -5.886 -6.227 -1.034 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -6.963 -4.891 -0.678 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -6.866 -4.434 -3.254 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -6.247 -6.070 -3.362 1.00 0.00 H new ATOM 1517 N LEU A 93 -4.967 -2.371 0.110 1.00 0.00 N ATOM 1518 CA LEU A 93 -4.825 -1.674 1.384 1.00 0.00 C ATOM 1519 C LEU A 93 -6.170 -1.137 1.863 1.00 0.00 C ATOM 1520 O LEU A 93 -6.769 -0.273 1.223 1.00 0.00 O ATOM 1521 CB LEU A 93 -3.823 -0.526 1.250 1.00 0.00 C ATOM 1522 CG LEU A 93 -2.425 -0.909 0.765 1.00 0.00 C ATOM 1523 CD1 LEU A 93 -1.709 0.304 0.190 1.00 0.00 C ATOM 1524 CD2 LEU A 93 -1.615 -1.521 1.899 1.00 0.00 C ATOM 0 H LEU A 93 -5.161 -1.762 -0.685 1.00 0.00 H new ATOM 0 HA LEU A 93 -4.456 -2.387 2.121 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -4.235 0.211 0.561 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -3.728 -0.038 2.220 1.00 0.00 H new ATOM 0 HG LEU A 93 -2.527 -1.654 -0.024 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -0.715 0.013 -0.150 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -2.279 0.698 -0.651 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -1.619 1.071 0.959 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -0.623 -1.787 1.535 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -1.522 -0.799 2.710 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -2.119 -2.415 2.265 1.00 0.00 H new ATOM 1536 N ALA A 94 -6.638 -1.654 2.995 1.00 0.00 N ATOM 1537 CA ALA A 94 -7.910 -1.223 3.562 1.00 0.00 C ATOM 1538 C ALA A 94 -7.712 -0.074 4.544 1.00 0.00 C ATOM 1539 O ALA A 94 -6.632 0.091 5.113 1.00 0.00 O ATOM 1540 CB ALA A 94 -8.604 -2.391 4.247 1.00 0.00 C ATOM 0 H ALA A 94 -6.156 -2.371 3.537 1.00 0.00 H new ATOM 0 HA ALA A 94 -8.541 -0.866 2.748 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -9.553 -2.056 4.666 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -8.788 -3.182 3.520 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -7.969 -2.773 5.046 1.00 0.00 H new ATOM 1546 N CYS A 95 -8.760 0.720 4.738 1.00 0.00 N ATOM 1547 CA CYS A 95 -8.700 1.856 5.651 1.00 0.00 C ATOM 1548 C CYS A 95 -9.893 1.853 6.601 1.00 0.00 C ATOM 1549 O CYS A 95 -10.744 0.966 6.542 1.00 0.00 O ATOM 1550 CB CYS A 95 -8.662 3.167 4.865 1.00 0.00 C ATOM 1551 SG CYS A 95 -10.293 3.861 4.508 1.00 0.00 S ATOM 0 H CYS A 95 -9.661 0.598 4.275 1.00 0.00 H new ATOM 0 HA CYS A 95 -7.788 1.768 6.241 1.00 0.00 H new ATOM 0 HB2 CYS A 95 -8.083 3.899 5.428 1.00 0.00 H new ATOM 0 HB3 CYS A 95 -8.137 2.999 3.925 1.00 0.00 H new ATOM 0 HG CYS A 95 -10.254 5.153 4.644 1.00 0.00 H new ATOM 1557 N ASP A 96 -9.946 2.850 7.478 1.00 0.00 N ATOM 1558 CA ASP A 96 -11.035 2.963 8.442 1.00 0.00 C ATOM 1559 C ASP A 96 -12.185 3.785 7.870 1.00 0.00 C ATOM 1560 O ASP A 96 -13.344 3.586 8.232 1.00 0.00 O ATOM 1561 CB ASP A 96 -10.532 3.599 9.739 1.00 0.00 C ATOM 1562 CG ASP A 96 -11.445 3.315 10.915 1.00 0.00 C ATOM 1563 OD1 ASP A 96 -12.651 3.085 10.687 1.00 0.00 O ATOM 1564 OD2 ASP A 96 -10.954 3.325 12.063 1.00 0.00 O ATOM 0 H ASP A 96 -9.248 3.591 7.541 1.00 0.00 H new ATOM 0 HA ASP A 96 -11.402 1.960 8.657 1.00 0.00 H new ATOM 0 HB2 ASP A 96 -9.532 3.225 9.960 1.00 0.00 H new ATOM 0 HB3 ASP A 96 -10.445 4.677 9.602 1.00 0.00 H new ATOM 1569 N SER A 97 -11.855 4.711 6.974 1.00 0.00 N ATOM 1570 CA SER A 97 -12.860 5.567 6.356 1.00 0.00 C ATOM 1571 C SER A 97 -12.280 6.304 5.152 1.00 0.00 C ATOM 1572 O SER A 97 -11.068 6.496 5.055 1.00 0.00 O ATOM 1573 CB SER A 97 -13.399 6.575 7.373 1.00 0.00 C ATOM 1574 OG SER A 97 -14.649 7.099 6.960 1.00 0.00 O ATOM 0 H SER A 97 -10.900 4.887 6.661 1.00 0.00 H new ATOM 0 HA SER A 97 -13.679 4.934 6.014 1.00 0.00 H new ATOM 0 HB2 SER A 97 -13.507 6.093 8.345 1.00 0.00 H new ATOM 0 HB3 SER A 97 -12.684 7.388 7.498 1.00 0.00 H new ATOM 0 HG SER A 97 -14.972 7.739 7.628 1.00 0.00 H new ATOM 1580 N GLN A 98 -13.154 6.713 4.239 1.00 0.00 N ATOM 1581 CA GLN A 98 -12.729 7.428 3.041 1.00 0.00 C ATOM 1582 C GLN A 98 -11.658 8.461 3.375 1.00 0.00 C ATOM 1583 O GLN A 98 -10.682 8.616 2.642 1.00 0.00 O ATOM 1584 CB GLN A 98 -13.925 8.112 2.378 1.00 0.00 C ATOM 1585 CG GLN A 98 -13.774 8.279 0.874 1.00 0.00 C ATOM 1586 CD GLN A 98 -12.742 9.326 0.505 1.00 0.00 C ATOM 1587 OE1 GLN A 98 -12.716 10.418 1.074 1.00 0.00 O ATOM 1588 NE2 GLN A 98 -11.882 8.998 -0.453 1.00 0.00 N ATOM 0 H GLN A 98 -14.161 6.562 4.305 1.00 0.00 H new ATOM 0 HA GLN A 98 -12.304 6.703 2.347 1.00 0.00 H new ATOM 0 HB2 GLN A 98 -14.824 7.531 2.582 1.00 0.00 H new ATOM 0 HB3 GLN A 98 -14.069 9.093 2.831 1.00 0.00 H new ATOM 0 HG2 GLN A 98 -13.491 7.323 0.433 1.00 0.00 H new ATOM 0 HG3 GLN A 98 -14.737 8.556 0.444 1.00 0.00 H new ATOM 0 HE21 GLN A 98 -11.939 8.082 -0.898 1.00 0.00 H new ATOM 0 HE22 GLN A 98 -11.164 9.662 -0.743 1.00 0.00 H new ATOM 1597 N GLU A 99 -11.849 9.165 4.486 1.00 0.00 N ATOM 1598 CA GLU A 99 -10.899 10.185 4.916 1.00 0.00 C ATOM 1599 C GLU A 99 -9.464 9.679 4.793 1.00 0.00 C ATOM 1600 O GLU A 99 -8.616 10.328 4.180 1.00 0.00 O ATOM 1601 CB GLU A 99 -11.182 10.601 6.361 1.00 0.00 C ATOM 1602 CG GLU A 99 -12.209 11.714 6.484 1.00 0.00 C ATOM 1603 CD GLU A 99 -12.863 11.756 7.851 1.00 0.00 C ATOM 1604 OE1 GLU A 99 -13.696 10.870 8.137 1.00 0.00 O ATOM 1605 OE2 GLU A 99 -12.543 12.674 8.634 1.00 0.00 O ATOM 0 H GLU A 99 -12.652 9.048 5.104 1.00 0.00 H new ATOM 0 HA GLU A 99 -11.018 11.052 4.266 1.00 0.00 H new ATOM 0 HB2 GLU A 99 -11.532 9.732 6.918 1.00 0.00 H new ATOM 0 HB3 GLU A 99 -10.251 10.924 6.826 1.00 0.00 H new ATOM 0 HG2 GLU A 99 -11.727 12.671 6.286 1.00 0.00 H new ATOM 0 HG3 GLU A 99 -12.977 11.581 5.722 1.00 0.00 H new ATOM 1612 N ASP A 100 -9.201 8.516 5.379 1.00 0.00 N ATOM 1613 CA ASP A 100 -7.870 7.922 5.335 1.00 0.00 C ATOM 1614 C ASP A 100 -7.367 7.822 3.899 1.00 0.00 C ATOM 1615 O ASP A 100 -6.399 8.483 3.521 1.00 0.00 O ATOM 1616 CB ASP A 100 -7.886 6.536 5.981 1.00 0.00 C ATOM 1617 CG ASP A 100 -8.341 6.575 7.426 1.00 0.00 C ATOM 1618 OD1 ASP A 100 -7.806 7.403 8.194 1.00 0.00 O ATOM 1619 OD2 ASP A 100 -9.231 5.779 7.790 1.00 0.00 O ATOM 0 H ASP A 100 -9.892 7.966 5.890 1.00 0.00 H new ATOM 0 HA ASP A 100 -7.192 8.567 5.894 1.00 0.00 H new ATOM 0 HB2 ASP A 100 -8.547 5.881 5.413 1.00 0.00 H new ATOM 0 HB3 ASP A 100 -6.887 6.103 5.929 1.00 0.00 H new ATOM 1624 N VAL A 101 -8.030 6.991 3.101 1.00 0.00 N ATOM 1625 CA VAL A 101 -7.650 6.804 1.706 1.00 0.00 C ATOM 1626 C VAL A 101 -7.270 8.130 1.057 1.00 0.00 C ATOM 1627 O VAL A 101 -6.098 8.382 0.775 1.00 0.00 O ATOM 1628 CB VAL A 101 -8.789 6.157 0.896 1.00 0.00 C ATOM 1629 CG1 VAL A 101 -8.556 6.343 -0.596 1.00 0.00 C ATOM 1630 CG2 VAL A 101 -8.919 4.682 1.244 1.00 0.00 C ATOM 0 H VAL A 101 -8.833 6.436 3.397 1.00 0.00 H new ATOM 0 HA VAL A 101 -6.786 6.139 1.700 1.00 0.00 H new ATOM 0 HB VAL A 101 -9.724 6.652 1.158 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -9.371 5.879 -1.152 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -8.518 7.407 -0.828 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -7.612 5.876 -0.878 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -9.729 4.241 0.662 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -7.985 4.170 1.013 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -9.137 4.577 2.307 1.00 0.00 H new ATOM 1640 N ASP A 102 -8.267 8.976 0.825 1.00 0.00 N ATOM 1641 CA ASP A 102 -8.038 10.279 0.211 1.00 0.00 C ATOM 1642 C ASP A 102 -6.715 10.875 0.681 1.00 0.00 C ATOM 1643 O ASP A 102 -5.892 11.301 -0.130 1.00 0.00 O ATOM 1644 CB ASP A 102 -9.188 11.232 0.541 1.00 0.00 C ATOM 1645 CG ASP A 102 -9.422 12.257 -0.550 1.00 0.00 C ATOM 1646 OD1 ASP A 102 -9.789 11.855 -1.674 1.00 0.00 O ATOM 1647 OD2 ASP A 102 -9.238 13.462 -0.281 1.00 0.00 O ATOM 0 H ASP A 102 -9.242 8.783 1.053 1.00 0.00 H new ATOM 0 HA ASP A 102 -7.991 10.141 -0.869 1.00 0.00 H new ATOM 0 HB2 ASP A 102 -10.100 10.656 0.696 1.00 0.00 H new ATOM 0 HB3 ASP A 102 -8.973 11.746 1.478 1.00 0.00 H new ATOM 1652 N SER A 103 -6.518 10.904 1.995 1.00 0.00 N ATOM 1653 CA SER A 103 -5.298 11.454 2.573 1.00 0.00 C ATOM 1654 C SER A 103 -4.063 10.814 1.945 1.00 0.00 C ATOM 1655 O SER A 103 -3.086 11.497 1.637 1.00 0.00 O ATOM 1656 CB SER A 103 -5.283 11.237 4.088 1.00 0.00 C ATOM 1657 OG SER A 103 -4.558 12.263 4.743 1.00 0.00 O ATOM 0 H SER A 103 -7.188 10.553 2.679 1.00 0.00 H new ATOM 0 HA SER A 103 -5.278 12.524 2.366 1.00 0.00 H new ATOM 0 HB2 SER A 103 -6.305 11.212 4.465 1.00 0.00 H new ATOM 0 HB3 SER A 103 -4.836 10.269 4.316 1.00 0.00 H new ATOM 0 HG SER A 103 -5.022 12.515 5.569 1.00 0.00 H new ATOM 1663 N TRP A 104 -4.116 9.501 1.758 1.00 0.00 N ATOM 1664 CA TRP A 104 -3.002 8.768 1.166 1.00 0.00 C ATOM 1665 C TRP A 104 -2.894 9.055 -0.327 1.00 0.00 C ATOM 1666 O TRP A 104 -1.813 8.967 -0.910 1.00 0.00 O ATOM 1667 CB TRP A 104 -3.173 7.266 1.398 1.00 0.00 C ATOM 1668 CG TRP A 104 -2.802 6.833 2.785 1.00 0.00 C ATOM 1669 CD1 TRP A 104 -3.654 6.423 3.770 1.00 0.00 C ATOM 1670 CD2 TRP A 104 -1.484 6.769 3.339 1.00 0.00 C ATOM 1671 NE1 TRP A 104 -2.944 6.109 4.904 1.00 0.00 N ATOM 1672 CE2 TRP A 104 -1.611 6.312 4.665 1.00 0.00 C ATOM 1673 CE3 TRP A 104 -0.208 7.052 2.844 1.00 0.00 C ATOM 1674 CZ2 TRP A 104 -0.511 6.133 5.499 1.00 0.00 C ATOM 1675 CZ3 TRP A 104 0.883 6.875 3.673 1.00 0.00 C ATOM 1676 CH2 TRP A 104 0.727 6.418 4.988 1.00 0.00 C ATOM 0 H TRP A 104 -4.918 8.922 2.007 1.00 0.00 H new ATOM 0 HA TRP A 104 -2.083 9.101 1.648 1.00 0.00 H new ATOM 0 HB2 TRP A 104 -4.210 6.991 1.205 1.00 0.00 H new ATOM 0 HB3 TRP A 104 -2.560 6.722 0.679 1.00 0.00 H new ATOM 0 HD1 TRP A 104 -4.727 6.355 3.672 1.00 0.00 H new ATOM 0 HE1 TRP A 104 -3.345 5.778 5.782 1.00 0.00 H new ATOM 0 HE3 TRP A 104 -0.077 7.403 1.831 1.00 0.00 H new ATOM 0 HZ2 TRP A 104 -0.630 5.782 6.513 1.00 0.00 H new ATOM 0 HZ3 TRP A 104 1.873 7.093 3.301 1.00 0.00 H new ATOM 0 HH2 TRP A 104 1.600 6.288 5.611 1.00 0.00 H new ATOM 1687 N LYS A 105 -4.020 9.399 -0.942 1.00 0.00 N ATOM 1688 CA LYS A 105 -4.052 9.701 -2.368 1.00 0.00 C ATOM 1689 C LYS A 105 -3.079 10.825 -2.709 1.00 0.00 C ATOM 1690 O LYS A 105 -2.260 10.696 -3.618 1.00 0.00 O ATOM 1691 CB LYS A 105 -5.469 10.091 -2.796 1.00 0.00 C ATOM 1692 CG LYS A 105 -6.515 9.042 -2.464 1.00 0.00 C ATOM 1693 CD LYS A 105 -6.299 7.766 -3.261 1.00 0.00 C ATOM 1694 CE LYS A 105 -6.834 7.896 -4.678 1.00 0.00 C ATOM 1695 NZ LYS A 105 -6.182 6.933 -5.608 1.00 0.00 N ATOM 0 H LYS A 105 -4.923 9.476 -0.475 1.00 0.00 H new ATOM 0 HA LYS A 105 -3.749 8.805 -2.910 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -5.741 11.029 -2.311 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -5.478 10.273 -3.871 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -6.480 8.817 -1.398 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -7.508 9.439 -2.673 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -5.235 7.532 -3.293 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -6.794 6.934 -2.759 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -7.911 7.727 -4.676 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -6.672 8.913 -5.036 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -6.063 7.378 -6.541 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -5.251 6.663 -5.232 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -6.776 6.085 -5.702 1.00 0.00 H new ATOM 1709 N ALA A 106 -3.174 11.927 -1.971 1.00 0.00 N ATOM 1710 CA ALA A 106 -2.299 13.072 -2.193 1.00 0.00 C ATOM 1711 C ALA A 106 -0.844 12.714 -1.910 1.00 0.00 C ATOM 1712 O ALA A 106 0.063 13.161 -2.612 1.00 0.00 O ATOM 1713 CB ALA A 106 -2.735 14.244 -1.326 1.00 0.00 C ATOM 0 H ALA A 106 -3.848 12.051 -1.215 1.00 0.00 H new ATOM 0 HA ALA A 106 -2.377 13.361 -3.241 1.00 0.00 H new ATOM 0 HB1 ALA A 106 -2.073 15.092 -1.501 1.00 0.00 H new ATOM 0 HB2 ALA A 106 -3.758 14.523 -1.579 1.00 0.00 H new ATOM 0 HB3 ALA A 106 -2.687 13.957 -0.276 1.00 0.00 H new ATOM 1719 N SER A 107 -0.628 11.906 -0.877 1.00 0.00 N ATOM 1720 CA SER A 107 0.718 11.492 -0.498 1.00 0.00 C ATOM 1721 C SER A 107 1.386 10.716 -1.629 1.00 0.00 C ATOM 1722 O SER A 107 2.559 10.929 -1.935 1.00 0.00 O ATOM 1723 CB SER A 107 0.673 10.634 0.767 1.00 0.00 C ATOM 1724 OG SER A 107 0.474 9.267 0.450 1.00 0.00 O ATOM 0 H SER A 107 -1.368 11.525 -0.287 1.00 0.00 H new ATOM 0 HA SER A 107 1.305 12.389 -0.299 1.00 0.00 H new ATOM 0 HB2 SER A 107 1.604 10.750 1.322 1.00 0.00 H new ATOM 0 HB3 SER A 107 -0.131 10.981 1.417 1.00 0.00 H new ATOM 0 HG SER A 107 -0.437 9.139 0.113 1.00 0.00 H new ATOM 1730 N PHE A 108 0.629 9.815 -2.247 1.00 0.00 N ATOM 1731 CA PHE A 108 1.147 9.006 -3.344 1.00 0.00 C ATOM 1732 C PHE A 108 1.496 9.878 -4.546 1.00 0.00 C ATOM 1733 O PHE A 108 2.525 9.681 -5.194 1.00 0.00 O ATOM 1734 CB PHE A 108 0.122 7.944 -3.750 1.00 0.00 C ATOM 1735 CG PHE A 108 0.271 6.651 -3.002 1.00 0.00 C ATOM 1736 CD1 PHE A 108 1.408 5.873 -3.154 1.00 0.00 C ATOM 1737 CD2 PHE A 108 -0.726 6.212 -2.146 1.00 0.00 C ATOM 1738 CE1 PHE A 108 1.546 4.682 -2.467 1.00 0.00 C ATOM 1739 CE2 PHE A 108 -0.593 5.022 -1.456 1.00 0.00 C ATOM 1740 CZ PHE A 108 0.545 4.256 -1.616 1.00 0.00 C ATOM 0 H PHE A 108 -0.344 9.627 -2.007 1.00 0.00 H new ATOM 0 HA PHE A 108 2.056 8.512 -3.000 1.00 0.00 H new ATOM 0 HB2 PHE A 108 -0.881 8.337 -3.585 1.00 0.00 H new ATOM 0 HB3 PHE A 108 0.216 7.749 -4.818 1.00 0.00 H new ATOM 0 HD1 PHE A 108 2.195 6.201 -3.817 1.00 0.00 H new ATOM 0 HD2 PHE A 108 -1.618 6.807 -2.016 1.00 0.00 H new ATOM 0 HE1 PHE A 108 2.436 4.084 -2.595 1.00 0.00 H new ATOM 0 HE2 PHE A 108 -1.378 4.691 -0.792 1.00 0.00 H new ATOM 0 HZ PHE A 108 0.652 3.326 -1.077 1.00 0.00 H new ATOM 1750 N LEU A 109 0.632 10.843 -4.840 1.00 0.00 N ATOM 1751 CA LEU A 109 0.847 11.747 -5.965 1.00 0.00 C ATOM 1752 C LEU A 109 2.103 12.587 -5.756 1.00 0.00 C ATOM 1753 O LEU A 109 2.883 12.797 -6.686 1.00 0.00 O ATOM 1754 CB LEU A 109 -0.366 12.661 -6.150 1.00 0.00 C ATOM 1755 CG LEU A 109 -1.470 12.133 -7.066 1.00 0.00 C ATOM 1756 CD1 LEU A 109 -2.502 11.355 -6.265 1.00 0.00 C ATOM 1757 CD2 LEU A 109 -2.131 13.278 -7.820 1.00 0.00 C ATOM 0 H LEU A 109 -0.224 11.020 -4.315 1.00 0.00 H new ATOM 0 HA LEU A 109 0.980 11.144 -6.863 1.00 0.00 H new ATOM 0 HB2 LEU A 109 -0.799 12.860 -5.170 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -0.019 13.616 -6.545 1.00 0.00 H new ATOM 0 HG LEU A 109 -1.019 11.457 -7.793 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -3.280 10.987 -6.934 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -2.019 10.512 -5.771 1.00 0.00 H new ATOM 0 HD13 LEU A 109 -2.948 12.008 -5.515 1.00 0.00 H new ATOM 0 HD21 LEU A 109 -2.914 12.883 -8.467 1.00 0.00 H new ATOM 0 HD22 LEU A 109 -2.567 13.979 -7.108 1.00 0.00 H new ATOM 0 HD23 LEU A 109 -1.385 13.793 -8.426 1.00 0.00 H new ATOM 1769 N ARG A 110 2.294 13.062 -4.530 1.00 0.00 N ATOM 1770 CA ARG A 110 3.457 13.877 -4.199 1.00 0.00 C ATOM 1771 C ARG A 110 4.744 13.204 -4.666 1.00 0.00 C ATOM 1772 O ARG A 110 5.622 13.851 -5.237 1.00 0.00 O ATOM 1773 CB ARG A 110 3.518 14.127 -2.691 1.00 0.00 C ATOM 1774 CG ARG A 110 2.780 15.381 -2.251 1.00 0.00 C ATOM 1775 CD ARG A 110 3.431 16.012 -1.030 1.00 0.00 C ATOM 1776 NE ARG A 110 4.447 16.994 -1.397 1.00 0.00 N ATOM 1777 CZ ARG A 110 5.361 17.457 -0.552 1.00 0.00 C ATOM 1778 NH1 ARG A 110 5.387 17.028 0.702 1.00 0.00 N ATOM 1779 NH2 ARG A 110 6.252 18.351 -0.961 1.00 0.00 N ATOM 0 H ARG A 110 1.659 12.897 -3.749 1.00 0.00 H new ATOM 0 HA ARG A 110 3.359 14.832 -4.716 1.00 0.00 H new ATOM 0 HB2 ARG A 110 3.097 13.266 -2.171 1.00 0.00 H new ATOM 0 HB3 ARG A 110 4.562 14.204 -2.386 1.00 0.00 H new ATOM 0 HG2 ARG A 110 2.764 16.101 -3.069 1.00 0.00 H new ATOM 0 HG3 ARG A 110 1.743 15.133 -2.024 1.00 0.00 H new ATOM 0 HD2 ARG A 110 2.667 16.492 -0.419 1.00 0.00 H new ATOM 0 HD3 ARG A 110 3.885 15.233 -0.418 1.00 0.00 H new ATOM 0 HE ARG A 110 4.455 17.344 -2.355 1.00 0.00 H new ATOM 0 HH11 ARG A 110 4.704 16.341 1.020 1.00 0.00 H new ATOM 0 HH12 ARG A 110 6.090 17.385 1.349 1.00 0.00 H new ATOM 0 HH21 ARG A 110 6.235 18.683 -1.925 1.00 0.00 H new ATOM 0 HH22 ARG A 110 6.954 18.706 -0.311 1.00 0.00 H new ATOM 1793 N ALA A 111 4.848 11.903 -4.420 1.00 0.00 N ATOM 1794 CA ALA A 111 6.027 11.142 -4.817 1.00 0.00 C ATOM 1795 C ALA A 111 6.109 11.010 -6.333 1.00 0.00 C ATOM 1796 O ALA A 111 7.198 10.971 -6.905 1.00 0.00 O ATOM 1797 CB ALA A 111 6.012 9.767 -4.165 1.00 0.00 C ATOM 0 H ALA A 111 4.130 11.353 -3.948 1.00 0.00 H new ATOM 0 HA ALA A 111 6.910 11.683 -4.477 1.00 0.00 H new ATOM 0 HB1 ALA A 111 6.898 9.210 -4.470 1.00 0.00 H new ATOM 0 HB2 ALA A 111 6.009 9.878 -3.081 1.00 0.00 H new ATOM 0 HB3 ALA A 111 5.118 9.226 -4.476 1.00 0.00 H new ATOM 1803 N GLY A 112 4.950 10.939 -6.981 1.00 0.00 N ATOM 1804 CA GLY A 112 4.914 10.811 -8.426 1.00 0.00 C ATOM 1805 C GLY A 112 4.048 9.654 -8.884 1.00 0.00 C ATOM 1806 O GLY A 112 4.318 9.036 -9.914 1.00 0.00 O ATOM 0 H GLY A 112 4.035 10.968 -6.531 1.00 0.00 H new ATOM 0 HA2 GLY A 112 4.537 11.737 -8.860 1.00 0.00 H new ATOM 0 HA3 GLY A 112 5.928 10.672 -8.801 1.00 0.00 H new ATOM 1810 N VAL A 113 3.003 9.360 -8.117 1.00 0.00 N ATOM 1811 CA VAL A 113 2.094 8.269 -8.449 1.00 0.00 C ATOM 1812 C VAL A 113 0.873 8.782 -9.204 1.00 0.00 C ATOM 1813 O VAL A 113 0.688 9.989 -9.360 1.00 0.00 O ATOM 1814 CB VAL A 113 1.626 7.524 -7.185 1.00 0.00 C ATOM 1815 CG1 VAL A 113 0.625 6.437 -7.546 1.00 0.00 C ATOM 1816 CG2 VAL A 113 2.817 6.937 -6.441 1.00 0.00 C ATOM 0 H VAL A 113 2.765 9.862 -7.262 1.00 0.00 H new ATOM 0 HA VAL A 113 2.648 7.578 -9.085 1.00 0.00 H new ATOM 0 HB VAL A 113 1.130 8.237 -6.526 1.00 0.00 H new ATOM 0 HG11 VAL A 113 0.306 5.921 -6.640 1.00 0.00 H new ATOM 0 HG12 VAL A 113 -0.241 6.887 -8.032 1.00 0.00 H new ATOM 0 HG13 VAL A 113 1.092 5.723 -8.224 1.00 0.00 H new ATOM 0 HG21 VAL A 113 2.468 6.414 -5.551 1.00 0.00 H new ATOM 0 HG22 VAL A 113 3.343 6.237 -7.090 1.00 0.00 H new ATOM 0 HG23 VAL A 113 3.495 7.739 -6.149 1.00 0.00 H new TER 1826 VAL A 113