USER MOD reduce.3.24.130724 H: found=0, std=0, add=913, rem=0, adj=36 USER MOD reduce.3.24.130724 removed 911 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 71 THR OG1 : rot 180:sc= 0.765 USER MOD Set 1.2: A 80 MET CE :methyl -122:sc= -2.08 (180deg=-5.56!) USER MOD Set 2.1: A 69 LYS NZ :NH3+ -145:sc= 1.14 (180deg=0) USER MOD Set 2.2: A 84 THR OG1 : rot 180:sc= 1.08 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 14:sc= 0.56 USER MOD Single : A 3 SER OG : rot 60:sc= 0.971 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 8 MET CE :methyl 134:sc= -0.555 (180deg=-2.37!) USER MOD Single : A 11 CYS SG : rot 180:sc= -1.28 USER MOD Single : A 13 ASN : amide:sc=-0.00384 X(o=-0.0038,f=0) USER MOD Single : A 14 HIS :FLIP no HE2:sc= -1.28 F(o=-3.3!,f=-1.3) USER MOD Single : A 16 ASN : amide:sc= -0.0463 K(o=-0.046,f=-3!) USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ -138:sc= -0.0065 (180deg=-0.777) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot 62:sc= 1.18 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 SER OG : rot 150:sc= -0.517 USER MOD Single : A 40 SER OG : rot 180:sc= -0.441 USER MOD Single : A 42 SER OG : rot -55:sc= 0.206 USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 CYS SG : rot -140:sc= -0.789 USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 56 CYS SG : rot 22:sc= 0.116 USER MOD Single : A 58 TYR OH : rot 30:sc= 0 USER MOD Single : A 59 THR OG1 : rot 180:sc= 0.0873 USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 ASN : amide:sc= -3.75 X(o=-3.8,f=-3.6) USER MOD Single : A 73 GLN : amide:sc= -1.1 K(o=-1.1,f=-2.6!) USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 85 LYS NZ :NH3+ -157:sc= -0.0724 (180deg=-0.751) USER MOD Single : A 88 GLN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 93 TYR OH : rot 30:sc= -0.0189 USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 ASN : amide:sc= 0 X(o=0,f=-0.19) USER MOD Single : A 98 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 102 THR OG1 : rot 180:sc= 0 USER MOD Single : A 103 HIS : no HE2:sc= 0.212 K(o=0.21,f=-4.8!) USER MOD Single : A 105 GLN :FLIP amide:sc= 0 F(o=-0.6,f=0) USER MOD Single : A 106 TYR OH : rot 180:sc= 0 USER MOD Single : A 115 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -0.365 -9.762 -34.894 1.00 0.00 N ATOM 2 CA GLY A 1 0.336 -9.495 -33.651 1.00 0.00 C ATOM 3 C GLY A 1 -0.498 -8.687 -32.677 1.00 0.00 C ATOM 4 O GLY A 1 -1.282 -9.244 -31.909 1.00 0.00 O ATOM 0 H1 GLY A 1 0.247 -10.317 -35.526 1.00 0.00 H new ATOM 0 H2 GLY A 1 -1.233 -10.298 -34.695 1.00 0.00 H new ATOM 0 H3 GLY A 1 -0.612 -8.862 -35.354 1.00 0.00 H new ATOM 0 HA2 GLY A 1 0.618 -10.440 -33.186 1.00 0.00 H new ATOM 0 HA3 GLY A 1 1.260 -8.958 -33.867 1.00 0.00 H new ATOM 8 N SER A 2 -0.328 -7.369 -32.707 1.00 0.00 N ATOM 9 CA SER A 2 -1.067 -6.482 -31.816 1.00 0.00 C ATOM 10 C SER A 2 -1.134 -7.062 -30.406 1.00 0.00 C ATOM 11 O SER A 2 -2.175 -7.014 -29.752 1.00 0.00 O ATOM 12 CB SER A 2 -2.481 -6.250 -32.351 1.00 0.00 C ATOM 13 OG SER A 2 -3.194 -7.470 -32.454 1.00 0.00 O ATOM 0 H SER A 2 0.315 -6.892 -33.339 1.00 0.00 H new ATOM 0 HA SER A 2 -0.541 -5.528 -31.774 1.00 0.00 H new ATOM 0 HB2 SER A 2 -3.016 -5.567 -31.690 1.00 0.00 H new ATOM 0 HB3 SER A 2 -2.429 -5.772 -33.329 1.00 0.00 H new ATOM 0 HG SER A 2 -2.715 -8.171 -31.965 1.00 0.00 H new ATOM 19 N SER A 3 -0.013 -7.608 -29.944 1.00 0.00 N ATOM 20 CA SER A 3 0.056 -8.200 -28.613 1.00 0.00 C ATOM 21 C SER A 3 1.221 -7.617 -27.819 1.00 0.00 C ATOM 22 O SER A 3 2.206 -7.153 -28.391 1.00 0.00 O ATOM 23 CB SER A 3 0.204 -9.720 -28.715 1.00 0.00 C ATOM 24 OG SER A 3 -0.945 -10.305 -29.303 1.00 0.00 O ATOM 0 H SER A 3 0.859 -7.653 -30.471 1.00 0.00 H new ATOM 0 HA SER A 3 -0.871 -7.966 -28.090 1.00 0.00 H new ATOM 0 HB2 SER A 3 1.085 -9.964 -29.309 1.00 0.00 H new ATOM 0 HB3 SER A 3 0.363 -10.141 -27.722 1.00 0.00 H new ATOM 0 HG SER A 3 -1.071 -9.943 -30.205 1.00 0.00 H new ATOM 30 N GLY A 4 1.099 -7.645 -26.495 1.00 0.00 N ATOM 31 CA GLY A 4 2.147 -7.116 -25.642 1.00 0.00 C ATOM 32 C GLY A 4 1.598 -6.348 -24.457 1.00 0.00 C ATOM 33 O GLY A 4 0.631 -6.774 -23.826 1.00 0.00 O ATOM 0 H GLY A 4 0.293 -8.025 -25.998 1.00 0.00 H new ATOM 0 HA2 GLY A 4 2.768 -7.937 -25.283 1.00 0.00 H new ATOM 0 HA3 GLY A 4 2.792 -6.461 -26.228 1.00 0.00 H new ATOM 37 N SER A 5 2.218 -5.212 -24.152 1.00 0.00 N ATOM 38 CA SER A 5 1.789 -4.385 -23.030 1.00 0.00 C ATOM 39 C SER A 5 1.569 -2.941 -23.472 1.00 0.00 C ATOM 40 O SER A 5 2.489 -2.282 -23.956 1.00 0.00 O ATOM 41 CB SER A 5 2.826 -4.434 -21.906 1.00 0.00 C ATOM 42 OG SER A 5 2.899 -5.728 -21.335 1.00 0.00 O ATOM 0 H SER A 5 3.018 -4.844 -24.666 1.00 0.00 H new ATOM 0 HA SER A 5 0.844 -4.781 -22.660 1.00 0.00 H new ATOM 0 HB2 SER A 5 3.803 -4.150 -22.296 1.00 0.00 H new ATOM 0 HB3 SER A 5 2.567 -3.708 -21.136 1.00 0.00 H new ATOM 0 HG SER A 5 3.570 -5.733 -20.621 1.00 0.00 H new ATOM 48 N SER A 6 0.343 -2.457 -23.303 1.00 0.00 N ATOM 49 CA SER A 6 0.000 -1.093 -23.688 1.00 0.00 C ATOM 50 C SER A 6 -1.209 -0.595 -22.902 1.00 0.00 C ATOM 51 O SER A 6 -1.987 -1.385 -22.371 1.00 0.00 O ATOM 52 CB SER A 6 -0.288 -1.021 -25.189 1.00 0.00 C ATOM 53 OG SER A 6 -1.267 -1.974 -25.566 1.00 0.00 O ATOM 0 H SER A 6 -0.429 -2.989 -22.902 1.00 0.00 H new ATOM 0 HA SER A 6 0.851 -0.452 -23.458 1.00 0.00 H new ATOM 0 HB2 SER A 6 -0.631 -0.020 -25.449 1.00 0.00 H new ATOM 0 HB3 SER A 6 0.631 -1.198 -25.748 1.00 0.00 H new ATOM 0 HG SER A 6 -1.435 -1.907 -26.529 1.00 0.00 H new ATOM 59 N GLY A 7 -1.360 0.725 -22.833 1.00 0.00 N ATOM 60 CA GLY A 7 -2.475 1.307 -22.111 1.00 0.00 C ATOM 61 C GLY A 7 -2.200 1.438 -20.626 1.00 0.00 C ATOM 62 O GLY A 7 -1.136 1.045 -20.149 1.00 0.00 O ATOM 0 H GLY A 7 -0.729 1.401 -23.265 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -2.697 2.291 -22.524 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -3.362 0.691 -22.260 1.00 0.00 H new ATOM 66 N MET A 8 -3.161 1.992 -19.894 1.00 0.00 N ATOM 67 CA MET A 8 -3.016 2.173 -18.454 1.00 0.00 C ATOM 68 C MET A 8 -2.828 0.831 -17.754 1.00 0.00 C ATOM 69 O MET A 8 -3.684 -0.050 -17.838 1.00 0.00 O ATOM 70 CB MET A 8 -4.239 2.893 -17.883 1.00 0.00 C ATOM 71 CG MET A 8 -4.364 4.336 -18.343 1.00 0.00 C ATOM 72 SD MET A 8 -5.163 4.487 -19.952 1.00 0.00 S ATOM 73 CE MET A 8 -3.748 4.803 -21.004 1.00 0.00 C ATOM 0 H MET A 8 -4.048 2.323 -20.274 1.00 0.00 H new ATOM 0 HA MET A 8 -2.130 2.782 -18.277 1.00 0.00 H new ATOM 0 HB2 MET A 8 -5.138 2.349 -18.172 1.00 0.00 H new ATOM 0 HB3 MET A 8 -4.188 2.870 -16.794 1.00 0.00 H new ATOM 0 HG2 MET A 8 -4.934 4.900 -17.605 1.00 0.00 H new ATOM 0 HG3 MET A 8 -3.372 4.785 -18.391 1.00 0.00 H new ATOM 0 HE1 MET A 8 -3.810 4.177 -21.894 1.00 0.00 H new ATOM 0 HE2 MET A 8 -3.740 5.853 -21.298 1.00 0.00 H new ATOM 0 HE3 MET A 8 -2.832 4.572 -20.461 1.00 0.00 H new ATOM 83 N VAL A 9 -1.702 0.682 -17.062 1.00 0.00 N ATOM 84 CA VAL A 9 -1.403 -0.552 -16.346 1.00 0.00 C ATOM 85 C VAL A 9 -1.002 -0.267 -14.903 1.00 0.00 C ATOM 86 O VAL A 9 -0.387 0.754 -14.594 1.00 0.00 O ATOM 87 CB VAL A 9 -0.273 -1.341 -17.036 1.00 0.00 C ATOM 88 CG1 VAL A 9 -0.693 -1.761 -18.436 1.00 0.00 C ATOM 89 CG2 VAL A 9 1.003 -0.514 -17.078 1.00 0.00 C ATOM 0 H VAL A 9 -0.983 1.401 -16.983 1.00 0.00 H new ATOM 0 HA VAL A 9 -2.313 -1.152 -16.355 1.00 0.00 H new ATOM 0 HB VAL A 9 -0.076 -2.243 -16.457 1.00 0.00 H new ATOM 0 HG11 VAL A 9 0.117 -2.317 -18.908 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -1.579 -2.393 -18.376 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -0.919 -0.875 -19.029 1.00 0.00 H new ATOM 0 HG21 VAL A 9 1.791 -1.086 -17.568 1.00 0.00 H new ATOM 0 HG22 VAL A 9 0.822 0.406 -17.634 1.00 0.00 H new ATOM 0 HG23 VAL A 9 1.311 -0.269 -16.062 1.00 0.00 H new ATOM 99 N PRO A 10 -1.356 -1.190 -13.997 1.00 0.00 N ATOM 100 CA PRO A 10 -1.042 -1.061 -12.571 1.00 0.00 C ATOM 101 C PRO A 10 0.448 -1.215 -12.289 1.00 0.00 C ATOM 102 O PRO A 10 0.995 -2.316 -12.372 1.00 0.00 O ATOM 103 CB PRO A 10 -1.829 -2.207 -11.930 1.00 0.00 C ATOM 104 CG PRO A 10 -1.984 -3.215 -13.016 1.00 0.00 C ATOM 105 CD PRO A 10 -2.090 -2.432 -14.295 1.00 0.00 C ATOM 0 HA PRO A 10 -1.304 -0.076 -12.183 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -1.296 -2.624 -11.076 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -2.798 -1.866 -11.565 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -1.131 -3.894 -13.043 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -2.873 -3.826 -12.858 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -1.646 -2.970 -15.133 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -3.129 -2.232 -14.559 1.00 0.00 H new ATOM 113 N CYS A 11 1.100 -0.107 -11.957 1.00 0.00 N ATOM 114 CA CYS A 11 2.529 -0.119 -11.663 1.00 0.00 C ATOM 115 C CYS A 11 2.786 0.233 -10.201 1.00 0.00 C ATOM 116 O CYS A 11 3.754 0.923 -9.880 1.00 0.00 O ATOM 117 CB CYS A 11 3.267 0.863 -12.574 1.00 0.00 C ATOM 118 SG CYS A 11 5.002 0.444 -12.860 1.00 0.00 S ATOM 0 H CYS A 11 0.662 0.811 -11.884 1.00 0.00 H new ATOM 0 HA CYS A 11 2.904 -1.126 -11.847 1.00 0.00 H new ATOM 0 HB2 CYS A 11 2.752 0.908 -13.534 1.00 0.00 H new ATOM 0 HB3 CYS A 11 3.213 1.860 -12.136 1.00 0.00 H new ATOM 0 HG CYS A 11 5.539 1.332 -13.643 1.00 0.00 H new ATOM 124 N TRP A 12 1.914 -0.245 -9.321 1.00 0.00 N ATOM 125 CA TRP A 12 2.046 0.020 -7.893 1.00 0.00 C ATOM 126 C TRP A 12 2.401 -1.253 -7.133 1.00 0.00 C ATOM 127 O TRP A 12 2.674 -1.215 -5.934 1.00 0.00 O ATOM 128 CB TRP A 12 0.749 0.614 -7.341 1.00 0.00 C ATOM 129 CG TRP A 12 -0.474 0.147 -8.071 1.00 0.00 C ATOM 130 CD1 TRP A 12 -1.282 0.896 -8.878 1.00 0.00 C ATOM 131 CD2 TRP A 12 -1.029 -1.173 -8.057 1.00 0.00 C ATOM 132 NE1 TRP A 12 -2.306 0.121 -9.367 1.00 0.00 N ATOM 133 CE2 TRP A 12 -2.173 -1.152 -8.880 1.00 0.00 C ATOM 134 CE3 TRP A 12 -0.670 -2.370 -7.433 1.00 0.00 C ATOM 135 CZ2 TRP A 12 -2.958 -2.282 -9.090 1.00 0.00 C ATOM 136 CZ3 TRP A 12 -1.451 -3.491 -7.643 1.00 0.00 C ATOM 137 CH2 TRP A 12 -2.583 -3.441 -8.466 1.00 0.00 C ATOM 0 H TRP A 12 1.108 -0.818 -9.571 1.00 0.00 H new ATOM 0 HA TRP A 12 2.854 0.739 -7.756 1.00 0.00 H new ATOM 0 HB2 TRP A 12 0.657 0.352 -6.287 1.00 0.00 H new ATOM 0 HB3 TRP A 12 0.803 1.701 -7.395 1.00 0.00 H new ATOM 0 HD1 TRP A 12 -1.137 1.943 -9.099 1.00 0.00 H new ATOM 0 HE1 TRP A 12 -3.046 0.442 -9.992 1.00 0.00 H new ATOM 0 HE3 TRP A 12 0.202 -2.419 -6.798 1.00 0.00 H new ATOM 0 HZ2 TRP A 12 -3.832 -2.246 -9.723 1.00 0.00 H new ATOM 0 HZ3 TRP A 12 -1.184 -4.421 -7.164 1.00 0.00 H new ATOM 0 HH2 TRP A 12 -3.172 -4.335 -8.611 1.00 0.00 H new ATOM 148 N ASN A 13 2.395 -2.379 -7.838 1.00 0.00 N ATOM 149 CA ASN A 13 2.716 -3.665 -7.229 1.00 0.00 C ATOM 150 C ASN A 13 4.226 -3.862 -7.139 1.00 0.00 C ATOM 151 O ASN A 13 4.819 -4.577 -7.947 1.00 0.00 O ATOM 152 CB ASN A 13 2.089 -4.805 -8.033 1.00 0.00 C ATOM 153 CG ASN A 13 1.967 -6.083 -7.226 1.00 0.00 C ATOM 154 OD1 ASN A 13 2.772 -7.003 -7.375 1.00 0.00 O ATOM 155 ND2 ASN A 13 0.958 -6.146 -6.366 1.00 0.00 N ATOM 0 H ASN A 13 2.171 -2.427 -8.832 1.00 0.00 H new ATOM 0 HA ASN A 13 2.305 -3.673 -6.219 1.00 0.00 H new ATOM 0 HB2 ASN A 13 1.101 -4.501 -8.379 1.00 0.00 H new ATOM 0 HB3 ASN A 13 2.693 -4.995 -8.920 1.00 0.00 H new ATOM 0 HD21 ASN A 13 0.826 -6.981 -5.795 1.00 0.00 H new ATOM 0 HD22 ASN A 13 0.315 -5.359 -6.276 1.00 0.00 H new ATOM 162 N HIS A 14 4.843 -3.223 -6.150 1.00 0.00 N ATOM 163 CA HIS A 14 6.285 -3.329 -5.953 1.00 0.00 C ATOM 164 C HIS A 14 6.676 -4.749 -5.556 1.00 0.00 C ATOM 165 O HIS A 14 7.505 -5.381 -6.210 1.00 0.00 O ATOM 166 CB HIS A 14 6.748 -2.342 -4.881 1.00 0.00 C ATOM 167 CG HIS A 14 6.741 -0.915 -5.337 1.00 0.00 C ATOM 168 ND1 HIS A 14 5.713 -0.065 -5.571 1.00 0.00 N flip ATOM 169 CD2 HIS A 14 7.892 -0.206 -5.609 1.00 0.00 C flip ATOM 170 CE1 HIS A 14 6.256 1.129 -5.974 1.00 0.00 C flip ATOM 171 NE2 HIS A 14 7.572 1.019 -5.989 1.00 0.00 N flip ATOM 0 H HIS A 14 4.368 -2.627 -5.473 1.00 0.00 H new ATOM 0 HA HIS A 14 6.775 -3.086 -6.896 1.00 0.00 H new ATOM 0 HB2 HIS A 14 6.104 -2.439 -4.007 1.00 0.00 H new ATOM 0 HB3 HIS A 14 7.756 -2.609 -4.564 1.00 0.00 H new ATOM 0 HD1 HIS A 14 4.720 -0.274 -5.467 1.00 0.00 H new ATOM 0 HD2 HIS A 14 8.897 -0.591 -5.525 1.00 0.00 H new ATOM 0 HE1 HIS A 14 5.698 2.015 -6.236 1.00 0.00 H new ATOM 180 N GLY A 15 6.073 -5.245 -4.480 1.00 0.00 N ATOM 181 CA GLY A 15 6.372 -6.587 -4.015 1.00 0.00 C ATOM 182 C GLY A 15 7.108 -6.590 -2.689 1.00 0.00 C ATOM 183 O GLY A 15 6.888 -5.721 -1.848 1.00 0.00 O ATOM 0 H GLY A 15 5.383 -4.742 -3.922 1.00 0.00 H new ATOM 0 HA2 GLY A 15 5.443 -7.148 -3.913 1.00 0.00 H new ATOM 0 HA3 GLY A 15 6.975 -7.102 -4.763 1.00 0.00 H new ATOM 187 N ASN A 16 7.984 -7.573 -2.503 1.00 0.00 N ATOM 188 CA ASN A 16 8.753 -7.687 -1.269 1.00 0.00 C ATOM 189 C ASN A 16 9.882 -6.662 -1.235 1.00 0.00 C ATOM 190 O ASN A 16 10.943 -6.872 -1.825 1.00 0.00 O ATOM 191 CB ASN A 16 9.326 -9.099 -1.130 1.00 0.00 C ATOM 192 CG ASN A 16 10.115 -9.525 -2.353 1.00 0.00 C ATOM 193 OD1 ASN A 16 9.551 -9.738 -3.426 1.00 0.00 O ATOM 194 ND2 ASN A 16 11.428 -9.653 -2.195 1.00 0.00 N ATOM 0 H ASN A 16 8.179 -8.301 -3.190 1.00 0.00 H new ATOM 0 HA ASN A 16 8.083 -7.490 -0.432 1.00 0.00 H new ATOM 0 HB2 ASN A 16 9.970 -9.142 -0.252 1.00 0.00 H new ATOM 0 HB3 ASN A 16 8.512 -9.804 -0.962 1.00 0.00 H new ATOM 0 HD21 ASN A 16 12.011 -9.938 -2.982 1.00 0.00 H new ATOM 0 HD22 ASN A 16 11.853 -9.466 -1.287 1.00 0.00 H new ATOM 201 N ILE A 17 9.647 -5.553 -0.541 1.00 0.00 N ATOM 202 CA ILE A 17 10.645 -4.497 -0.429 1.00 0.00 C ATOM 203 C ILE A 17 10.856 -4.092 1.026 1.00 0.00 C ATOM 204 O ILE A 17 9.958 -4.230 1.858 1.00 0.00 O ATOM 205 CB ILE A 17 10.242 -3.253 -1.242 1.00 0.00 C ATOM 206 CG1 ILE A 17 8.881 -2.731 -0.777 1.00 0.00 C ATOM 207 CG2 ILE A 17 10.210 -3.579 -2.728 1.00 0.00 C ATOM 208 CD1 ILE A 17 8.525 -1.376 -1.348 1.00 0.00 C ATOM 0 H ILE A 17 8.774 -5.363 -0.048 1.00 0.00 H new ATOM 0 HA ILE A 17 11.575 -4.899 -0.831 1.00 0.00 H new ATOM 0 HB ILE A 17 10.985 -2.473 -1.076 1.00 0.00 H new ATOM 0 HG12 ILE A 17 8.110 -3.449 -1.059 1.00 0.00 H new ATOM 0 HG13 ILE A 17 8.877 -2.670 0.311 1.00 0.00 H new ATOM 0 HG21 ILE A 17 9.923 -2.690 -3.289 1.00 0.00 H new ATOM 0 HG22 ILE A 17 11.198 -3.909 -3.050 1.00 0.00 H new ATOM 0 HG23 ILE A 17 9.486 -4.373 -2.911 1.00 0.00 H new ATOM 0 HD11 ILE A 17 7.548 -1.069 -0.975 1.00 0.00 H new ATOM 0 HD12 ILE A 17 9.275 -0.645 -1.045 1.00 0.00 H new ATOM 0 HD13 ILE A 17 8.496 -1.436 -2.436 1.00 0.00 H new ATOM 220 N THR A 18 12.049 -3.589 1.328 1.00 0.00 N ATOM 221 CA THR A 18 12.378 -3.163 2.683 1.00 0.00 C ATOM 222 C THR A 18 11.443 -2.055 3.153 1.00 0.00 C ATOM 223 O THR A 18 10.993 -1.231 2.358 1.00 0.00 O ATOM 224 CB THR A 18 13.833 -2.666 2.777 1.00 0.00 C ATOM 225 OG1 THR A 18 14.083 -2.127 4.080 1.00 0.00 O ATOM 226 CG2 THR A 18 14.113 -1.607 1.721 1.00 0.00 C ATOM 0 H THR A 18 12.803 -3.467 0.653 1.00 0.00 H new ATOM 0 HA THR A 18 12.257 -4.034 3.327 1.00 0.00 H new ATOM 0 HB THR A 18 14.495 -3.514 2.602 1.00 0.00 H new ATOM 0 HG1 THR A 18 15.010 -1.815 4.132 1.00 0.00 H new ATOM 0 HG21 THR A 18 15.146 -1.271 1.807 1.00 0.00 H new ATOM 0 HG22 THR A 18 13.950 -2.030 0.730 1.00 0.00 H new ATOM 0 HG23 THR A 18 13.443 -0.760 1.869 1.00 0.00 H new ATOM 234 N ARG A 19 11.156 -2.041 4.451 1.00 0.00 N ATOM 235 CA ARG A 19 10.274 -1.034 5.027 1.00 0.00 C ATOM 236 C ARG A 19 10.649 0.362 4.537 1.00 0.00 C ATOM 237 O ARG A 19 9.879 1.010 3.828 1.00 0.00 O ATOM 238 CB ARG A 19 10.337 -1.084 6.555 1.00 0.00 C ATOM 239 CG ARG A 19 9.035 -0.686 7.231 1.00 0.00 C ATOM 240 CD ARG A 19 7.995 -1.792 7.132 1.00 0.00 C ATOM 241 NE ARG A 19 8.435 -3.018 7.792 1.00 0.00 N ATOM 242 CZ ARG A 19 9.129 -3.972 7.182 1.00 0.00 C ATOM 243 NH1 ARG A 19 9.461 -3.842 5.905 1.00 0.00 N ATOM 244 NH2 ARG A 19 9.493 -5.059 7.850 1.00 0.00 N ATOM 0 H ARG A 19 11.522 -2.716 5.123 1.00 0.00 H new ATOM 0 HA ARG A 19 9.256 -1.252 4.705 1.00 0.00 H new ATOM 0 HB2 ARG A 19 10.604 -2.094 6.866 1.00 0.00 H new ATOM 0 HB3 ARG A 19 11.132 -0.423 6.899 1.00 0.00 H new ATOM 0 HG2 ARG A 19 9.224 -0.455 8.279 1.00 0.00 H new ATOM 0 HG3 ARG A 19 8.647 0.222 6.770 1.00 0.00 H new ATOM 0 HD2 ARG A 19 7.062 -1.453 7.582 1.00 0.00 H new ATOM 0 HD3 ARG A 19 7.786 -2.000 6.083 1.00 0.00 H new ATOM 0 HE ARG A 19 8.196 -3.149 8.775 1.00 0.00 H new ATOM 0 HH11 ARG A 19 9.183 -3.008 5.388 1.00 0.00 H new ATOM 0 HH12 ARG A 19 9.994 -4.576 5.439 1.00 0.00 H new ATOM 0 HH21 ARG A 19 9.240 -5.162 8.833 1.00 0.00 H new ATOM 0 HH22 ARG A 19 10.026 -5.791 7.381 1.00 0.00 H new ATOM 258 N SER A 20 11.837 0.819 4.921 1.00 0.00 N ATOM 259 CA SER A 20 12.313 2.139 4.525 1.00 0.00 C ATOM 260 C SER A 20 11.861 2.476 3.108 1.00 0.00 C ATOM 261 O SER A 20 11.080 3.405 2.896 1.00 0.00 O ATOM 262 CB SER A 20 13.839 2.202 4.615 1.00 0.00 C ATOM 263 OG SER A 20 14.261 2.484 5.938 1.00 0.00 O ATOM 0 H SER A 20 12.487 0.294 5.506 1.00 0.00 H new ATOM 0 HA SER A 20 11.886 2.873 5.208 1.00 0.00 H new ATOM 0 HB2 SER A 20 14.265 1.253 4.289 1.00 0.00 H new ATOM 0 HB3 SER A 20 14.215 2.970 3.939 1.00 0.00 H new ATOM 0 HG SER A 20 15.240 2.517 5.969 1.00 0.00 H new ATOM 269 N LYS A 21 12.357 1.715 2.138 1.00 0.00 N ATOM 270 CA LYS A 21 12.006 1.931 0.740 1.00 0.00 C ATOM 271 C LYS A 21 10.550 2.368 0.606 1.00 0.00 C ATOM 272 O LYS A 21 10.265 3.482 0.168 1.00 0.00 O ATOM 273 CB LYS A 21 12.242 0.653 -0.070 1.00 0.00 C ATOM 274 CG LYS A 21 11.772 0.751 -1.511 1.00 0.00 C ATOM 275 CD LYS A 21 12.807 1.430 -2.390 1.00 0.00 C ATOM 276 CE LYS A 21 13.787 0.425 -2.976 1.00 0.00 C ATOM 277 NZ LYS A 21 13.316 -0.113 -4.282 1.00 0.00 N ATOM 0 H LYS A 21 13.004 0.942 2.295 1.00 0.00 H new ATOM 0 HA LYS A 21 12.643 2.725 0.350 1.00 0.00 H new ATOM 0 HB2 LYS A 21 13.306 0.417 -0.059 1.00 0.00 H new ATOM 0 HB3 LYS A 21 11.727 -0.176 0.416 1.00 0.00 H new ATOM 0 HG2 LYS A 21 11.565 -0.248 -1.896 1.00 0.00 H new ATOM 0 HG3 LYS A 21 10.836 1.308 -1.552 1.00 0.00 H new ATOM 0 HD2 LYS A 21 12.306 1.964 -3.197 1.00 0.00 H new ATOM 0 HD3 LYS A 21 13.351 2.172 -1.806 1.00 0.00 H new ATOM 0 HE2 LYS A 21 14.759 0.900 -3.108 1.00 0.00 H new ATOM 0 HE3 LYS A 21 13.927 -0.397 -2.274 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 13.493 -1.137 -4.320 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 12.297 0.066 -4.384 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 13.829 0.356 -5.056 1.00 0.00 H new ATOM 291 N ALA A 22 9.634 1.484 0.987 1.00 0.00 N ATOM 292 CA ALA A 22 8.209 1.781 0.913 1.00 0.00 C ATOM 293 C ALA A 22 7.933 3.239 1.264 1.00 0.00 C ATOM 294 O ALA A 22 7.221 3.937 0.542 1.00 0.00 O ATOM 295 CB ALA A 22 7.428 0.857 1.835 1.00 0.00 C ATOM 0 H ALA A 22 9.853 0.556 1.350 1.00 0.00 H new ATOM 0 HA ALA A 22 7.881 1.613 -0.113 1.00 0.00 H new ATOM 0 HB1 ALA A 22 6.365 1.091 1.769 1.00 0.00 H new ATOM 0 HB2 ALA A 22 7.591 -0.178 1.536 1.00 0.00 H new ATOM 0 HB3 ALA A 22 7.767 0.996 2.862 1.00 0.00 H new ATOM 301 N GLU A 23 8.500 3.692 2.378 1.00 0.00 N ATOM 302 CA GLU A 23 8.313 5.068 2.825 1.00 0.00 C ATOM 303 C GLU A 23 9.040 6.043 1.904 1.00 0.00 C ATOM 304 O GLU A 23 8.468 7.038 1.461 1.00 0.00 O ATOM 305 CB GLU A 23 8.815 5.234 4.260 1.00 0.00 C ATOM 306 CG GLU A 23 8.040 4.411 5.275 1.00 0.00 C ATOM 307 CD GLU A 23 8.311 4.841 6.704 1.00 0.00 C ATOM 308 OE1 GLU A 23 9.452 4.648 7.175 1.00 0.00 O ATOM 309 OE2 GLU A 23 7.383 5.369 7.351 1.00 0.00 O ATOM 0 H GLU A 23 9.092 3.127 2.987 1.00 0.00 H new ATOM 0 HA GLU A 23 7.247 5.292 2.793 1.00 0.00 H new ATOM 0 HB2 GLU A 23 9.867 4.952 4.303 1.00 0.00 H new ATOM 0 HB3 GLU A 23 8.756 6.287 4.537 1.00 0.00 H new ATOM 0 HG2 GLU A 23 6.973 4.498 5.069 1.00 0.00 H new ATOM 0 HG3 GLU A 23 8.302 3.359 5.160 1.00 0.00 H new ATOM 316 N GLU A 24 10.306 5.749 1.621 1.00 0.00 N ATOM 317 CA GLU A 24 11.111 6.601 0.754 1.00 0.00 C ATOM 318 C GLU A 24 10.377 6.901 -0.550 1.00 0.00 C ATOM 319 O GLU A 24 10.198 8.062 -0.922 1.00 0.00 O ATOM 320 CB GLU A 24 12.455 5.934 0.452 1.00 0.00 C ATOM 321 CG GLU A 24 13.263 6.649 -0.617 1.00 0.00 C ATOM 322 CD GLU A 24 13.994 7.865 -0.081 1.00 0.00 C ATOM 323 OE1 GLU A 24 13.326 8.879 0.208 1.00 0.00 O ATOM 324 OE2 GLU A 24 15.234 7.801 0.049 1.00 0.00 O ATOM 0 H GLU A 24 10.795 4.929 1.979 1.00 0.00 H new ATOM 0 HA GLU A 24 11.288 7.541 1.276 1.00 0.00 H new ATOM 0 HB2 GLU A 24 13.042 5.888 1.369 1.00 0.00 H new ATOM 0 HB3 GLU A 24 12.278 4.906 0.135 1.00 0.00 H new ATOM 0 HG2 GLU A 24 13.986 5.955 -1.046 1.00 0.00 H new ATOM 0 HG3 GLU A 24 12.599 6.956 -1.425 1.00 0.00 H new ATOM 331 N LEU A 25 9.953 5.848 -1.239 1.00 0.00 N ATOM 332 CA LEU A 25 9.237 5.997 -2.501 1.00 0.00 C ATOM 333 C LEU A 25 8.232 7.141 -2.426 1.00 0.00 C ATOM 334 O LEU A 25 8.085 7.916 -3.372 1.00 0.00 O ATOM 335 CB LEU A 25 8.519 4.695 -2.860 1.00 0.00 C ATOM 336 CG LEU A 25 9.390 3.438 -2.905 1.00 0.00 C ATOM 337 CD1 LEU A 25 8.523 2.189 -2.922 1.00 0.00 C ATOM 338 CD2 LEU A 25 10.308 3.469 -4.118 1.00 0.00 C ATOM 0 H LEU A 25 10.093 4.881 -0.945 1.00 0.00 H new ATOM 0 HA LEU A 25 9.966 6.229 -3.278 1.00 0.00 H new ATOM 0 HB2 LEU A 25 7.720 4.533 -2.137 1.00 0.00 H new ATOM 0 HB3 LEU A 25 8.047 4.821 -3.834 1.00 0.00 H new ATOM 0 HG LEU A 25 10.008 3.414 -2.007 1.00 0.00 H new ATOM 0 HD11 LEU A 25 9.159 1.305 -2.954 1.00 0.00 H new ATOM 0 HD12 LEU A 25 7.908 2.161 -2.023 1.00 0.00 H new ATOM 0 HD13 LEU A 25 7.879 2.205 -3.802 1.00 0.00 H new ATOM 0 HD21 LEU A 25 10.920 2.567 -4.134 1.00 0.00 H new ATOM 0 HD22 LEU A 25 9.708 3.517 -5.027 1.00 0.00 H new ATOM 0 HD23 LEU A 25 10.954 4.345 -4.063 1.00 0.00 H new ATOM 350 N LEU A 26 7.544 7.243 -1.294 1.00 0.00 N ATOM 351 CA LEU A 26 6.553 8.295 -1.093 1.00 0.00 C ATOM 352 C LEU A 26 7.228 9.624 -0.769 1.00 0.00 C ATOM 353 O LEU A 26 6.916 10.652 -1.368 1.00 0.00 O ATOM 354 CB LEU A 26 5.592 7.909 0.033 1.00 0.00 C ATOM 355 CG LEU A 26 4.418 7.013 -0.363 1.00 0.00 C ATOM 356 CD1 LEU A 26 4.920 5.687 -0.913 1.00 0.00 C ATOM 357 CD2 LEU A 26 3.496 6.785 0.826 1.00 0.00 C ATOM 0 H LEU A 26 7.654 6.610 -0.501 1.00 0.00 H new ATOM 0 HA LEU A 26 5.989 8.412 -2.019 1.00 0.00 H new ATOM 0 HB2 LEU A 26 6.162 7.403 0.812 1.00 0.00 H new ATOM 0 HB3 LEU A 26 5.193 8.823 0.472 1.00 0.00 H new ATOM 0 HG LEU A 26 3.850 7.516 -1.146 1.00 0.00 H new ATOM 0 HD11 LEU A 26 4.070 5.063 -1.189 1.00 0.00 H new ATOM 0 HD12 LEU A 26 5.538 5.868 -1.792 1.00 0.00 H new ATOM 0 HD13 LEU A 26 5.512 5.178 -0.152 1.00 0.00 H new ATOM 0 HD21 LEU A 26 2.666 6.145 0.526 1.00 0.00 H new ATOM 0 HD22 LEU A 26 4.052 6.304 1.631 1.00 0.00 H new ATOM 0 HD23 LEU A 26 3.108 7.742 1.175 1.00 0.00 H new ATOM 369 N SER A 27 8.155 9.594 0.183 1.00 0.00 N ATOM 370 CA SER A 27 8.874 10.796 0.589 1.00 0.00 C ATOM 371 C SER A 27 9.525 11.472 -0.614 1.00 0.00 C ATOM 372 O SER A 27 9.211 12.616 -0.942 1.00 0.00 O ATOM 373 CB SER A 27 9.938 10.452 1.633 1.00 0.00 C ATOM 374 OG SER A 27 10.323 11.602 2.366 1.00 0.00 O ATOM 0 H SER A 27 8.426 8.750 0.688 1.00 0.00 H new ATOM 0 HA SER A 27 8.155 11.488 1.028 1.00 0.00 H new ATOM 0 HB2 SER A 27 9.551 9.695 2.315 1.00 0.00 H new ATOM 0 HB3 SER A 27 10.810 10.022 1.140 1.00 0.00 H new ATOM 0 HG SER A 27 11.002 11.356 3.028 1.00 0.00 H new ATOM 380 N ARG A 28 10.433 10.754 -1.268 1.00 0.00 N ATOM 381 CA ARG A 28 11.130 11.284 -2.434 1.00 0.00 C ATOM 382 C ARG A 28 10.150 11.943 -3.400 1.00 0.00 C ATOM 383 O ARG A 28 10.429 13.004 -3.958 1.00 0.00 O ATOM 384 CB ARG A 28 11.894 10.168 -3.148 1.00 0.00 C ATOM 385 CG ARG A 28 11.037 9.363 -4.112 1.00 0.00 C ATOM 386 CD ARG A 28 11.863 8.329 -4.861 1.00 0.00 C ATOM 387 NE ARG A 28 12.387 8.854 -6.120 1.00 0.00 N ATOM 388 CZ ARG A 28 13.340 8.256 -6.826 1.00 0.00 C ATOM 389 NH1 ARG A 28 13.870 7.118 -6.399 1.00 0.00 N ATOM 390 NH2 ARG A 28 13.764 8.796 -7.961 1.00 0.00 N ATOM 0 H ARG A 28 10.703 9.805 -1.010 1.00 0.00 H new ATOM 0 HA ARG A 28 11.838 12.038 -2.091 1.00 0.00 H new ATOM 0 HB2 ARG A 28 12.730 10.604 -3.695 1.00 0.00 H new ATOM 0 HB3 ARG A 28 12.318 9.495 -2.403 1.00 0.00 H new ATOM 0 HG2 ARG A 28 10.239 8.864 -3.562 1.00 0.00 H new ATOM 0 HG3 ARG A 28 10.560 10.035 -4.825 1.00 0.00 H new ATOM 0 HD2 ARG A 28 12.691 8.002 -4.232 1.00 0.00 H new ATOM 0 HD3 ARG A 28 11.249 7.451 -5.062 1.00 0.00 H new ATOM 0 HE ARG A 28 12.000 9.728 -6.476 1.00 0.00 H new ATOM 0 HH11 ARG A 28 13.546 6.700 -5.527 1.00 0.00 H new ATOM 0 HH12 ARG A 28 14.602 6.660 -6.943 1.00 0.00 H new ATOM 0 HH21 ARG A 28 13.358 9.671 -8.292 1.00 0.00 H new ATOM 0 HH22 ARG A 28 14.496 8.336 -8.502 1.00 0.00 H new ATOM 404 N THR A 29 8.999 11.306 -3.595 1.00 0.00 N ATOM 405 CA THR A 29 7.978 11.828 -4.494 1.00 0.00 C ATOM 406 C THR A 29 7.556 13.236 -4.089 1.00 0.00 C ATOM 407 O THR A 29 7.480 14.136 -4.923 1.00 0.00 O ATOM 408 CB THR A 29 6.735 10.919 -4.521 1.00 0.00 C ATOM 409 OG1 THR A 29 7.108 9.590 -4.903 1.00 0.00 O ATOM 410 CG2 THR A 29 5.693 11.457 -5.491 1.00 0.00 C ATOM 0 H THR A 29 8.751 10.427 -3.141 1.00 0.00 H new ATOM 0 HA THR A 29 8.419 11.857 -5.490 1.00 0.00 H new ATOM 0 HB THR A 29 6.303 10.901 -3.520 1.00 0.00 H new ATOM 0 HG1 THR A 29 7.733 9.223 -4.243 1.00 0.00 H new ATOM 0 HG21 THR A 29 4.824 10.799 -5.493 1.00 0.00 H new ATOM 0 HG22 THR A 29 5.390 12.457 -5.181 1.00 0.00 H new ATOM 0 HG23 THR A 29 6.118 11.501 -6.494 1.00 0.00 H new ATOM 418 N GLY A 30 7.283 13.419 -2.800 1.00 0.00 N ATOM 419 CA GLY A 30 6.873 14.720 -2.307 1.00 0.00 C ATOM 420 C GLY A 30 5.626 15.235 -2.998 1.00 0.00 C ATOM 421 O GLY A 30 5.593 16.373 -3.468 1.00 0.00 O ATOM 0 H GLY A 30 7.339 12.689 -2.089 1.00 0.00 H new ATOM 0 HA2 GLY A 30 6.691 14.658 -1.234 1.00 0.00 H new ATOM 0 HA3 GLY A 30 7.685 15.432 -2.451 1.00 0.00 H new ATOM 425 N LYS A 31 4.598 14.397 -3.062 1.00 0.00 N ATOM 426 CA LYS A 31 3.342 14.772 -3.701 1.00 0.00 C ATOM 427 C LYS A 31 2.151 14.391 -2.828 1.00 0.00 C ATOM 428 O LYS A 31 2.176 13.371 -2.139 1.00 0.00 O ATOM 429 CB LYS A 31 3.221 14.098 -5.070 1.00 0.00 C ATOM 430 CG LYS A 31 4.089 14.735 -6.141 1.00 0.00 C ATOM 431 CD LYS A 31 3.501 14.535 -7.527 1.00 0.00 C ATOM 432 CE LYS A 31 2.508 15.634 -7.875 1.00 0.00 C ATOM 433 NZ LYS A 31 3.193 16.884 -8.306 1.00 0.00 N ATOM 0 H LYS A 31 4.610 13.452 -2.679 1.00 0.00 H new ATOM 0 HA LYS A 31 3.341 15.854 -3.834 1.00 0.00 H new ATOM 0 HB2 LYS A 31 3.491 13.047 -4.973 1.00 0.00 H new ATOM 0 HB3 LYS A 31 2.180 14.131 -5.391 1.00 0.00 H new ATOM 0 HG2 LYS A 31 4.193 15.801 -5.939 1.00 0.00 H new ATOM 0 HG3 LYS A 31 5.090 14.304 -6.104 1.00 0.00 H new ATOM 0 HD2 LYS A 31 4.303 14.521 -8.265 1.00 0.00 H new ATOM 0 HD3 LYS A 31 3.005 13.566 -7.577 1.00 0.00 H new ATOM 0 HE2 LYS A 31 1.848 15.289 -8.671 1.00 0.00 H new ATOM 0 HE3 LYS A 31 1.880 15.844 -7.009 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 2.482 17.608 -8.534 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 3.803 17.228 -7.538 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 3.772 16.690 -9.148 1.00 0.00 H new ATOM 447 N ASP A 32 1.110 15.216 -2.862 1.00 0.00 N ATOM 448 CA ASP A 32 -0.091 14.963 -2.075 1.00 0.00 C ATOM 449 C ASP A 32 -1.033 14.015 -2.810 1.00 0.00 C ATOM 450 O ASP A 32 -1.980 14.449 -3.465 1.00 0.00 O ATOM 451 CB ASP A 32 -0.809 16.278 -1.765 1.00 0.00 C ATOM 452 CG ASP A 32 -1.355 16.946 -3.012 1.00 0.00 C ATOM 453 OD1 ASP A 32 -0.717 16.825 -4.079 1.00 0.00 O ATOM 454 OD2 ASP A 32 -2.421 17.590 -2.921 1.00 0.00 O ATOM 0 H ASP A 32 1.074 16.065 -3.426 1.00 0.00 H new ATOM 0 HA ASP A 32 0.210 14.493 -1.139 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -1.627 16.087 -1.070 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -0.118 16.957 -1.265 1.00 0.00 H new ATOM 459 N GLY A 33 -0.765 12.718 -2.697 1.00 0.00 N ATOM 460 CA GLY A 33 -1.597 11.729 -3.357 1.00 0.00 C ATOM 461 C GLY A 33 -0.798 10.546 -3.867 1.00 0.00 C ATOM 462 O GLY A 33 -1.117 9.976 -4.911 1.00 0.00 O ATOM 0 H GLY A 33 0.013 12.334 -2.160 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -2.358 11.376 -2.661 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -2.120 12.197 -4.191 1.00 0.00 H new ATOM 466 N SER A 34 0.245 10.177 -3.130 1.00 0.00 N ATOM 467 CA SER A 34 1.096 9.057 -3.516 1.00 0.00 C ATOM 468 C SER A 34 0.682 7.783 -2.787 1.00 0.00 C ATOM 469 O SER A 34 0.336 7.814 -1.606 1.00 0.00 O ATOM 470 CB SER A 34 2.562 9.376 -3.216 1.00 0.00 C ATOM 471 OG SER A 34 3.037 10.421 -4.048 1.00 0.00 O ATOM 0 H SER A 34 0.521 10.637 -2.263 1.00 0.00 H new ATOM 0 HA SER A 34 0.978 8.896 -4.588 1.00 0.00 H new ATOM 0 HB2 SER A 34 2.668 9.663 -2.170 1.00 0.00 H new ATOM 0 HB3 SER A 34 3.170 8.483 -3.365 1.00 0.00 H new ATOM 0 HG SER A 34 3.731 10.926 -3.575 1.00 0.00 H new ATOM 477 N PHE A 35 0.718 6.662 -3.500 1.00 0.00 N ATOM 478 CA PHE A 35 0.346 5.376 -2.923 1.00 0.00 C ATOM 479 C PHE A 35 1.039 4.230 -3.654 1.00 0.00 C ATOM 480 O PHE A 35 1.640 4.426 -4.711 1.00 0.00 O ATOM 481 CB PHE A 35 -1.171 5.188 -2.978 1.00 0.00 C ATOM 482 CG PHE A 35 -1.653 4.575 -4.263 1.00 0.00 C ATOM 483 CD1 PHE A 35 -1.863 5.361 -5.384 1.00 0.00 C ATOM 484 CD2 PHE A 35 -1.895 3.214 -4.348 1.00 0.00 C ATOM 485 CE1 PHE A 35 -2.306 4.800 -6.568 1.00 0.00 C ATOM 486 CE2 PHE A 35 -2.337 2.647 -5.529 1.00 0.00 C ATOM 487 CZ PHE A 35 -2.544 3.442 -6.639 1.00 0.00 C ATOM 0 H PHE A 35 1.001 6.619 -4.479 1.00 0.00 H new ATOM 0 HA PHE A 35 0.669 5.367 -1.882 1.00 0.00 H new ATOM 0 HB2 PHE A 35 -1.481 4.557 -2.145 1.00 0.00 H new ATOM 0 HB3 PHE A 35 -1.654 6.156 -2.843 1.00 0.00 H new ATOM 0 HD1 PHE A 35 -1.679 6.424 -5.333 1.00 0.00 H new ATOM 0 HD2 PHE A 35 -1.737 2.588 -3.482 1.00 0.00 H new ATOM 0 HE1 PHE A 35 -2.465 5.423 -7.436 1.00 0.00 H new ATOM 0 HE2 PHE A 35 -2.520 1.584 -5.583 1.00 0.00 H new ATOM 0 HZ PHE A 35 -2.892 3.002 -7.562 1.00 0.00 H new ATOM 497 N LEU A 36 0.952 3.034 -3.084 1.00 0.00 N ATOM 498 CA LEU A 36 1.570 1.855 -3.680 1.00 0.00 C ATOM 499 C LEU A 36 1.153 0.588 -2.941 1.00 0.00 C ATOM 500 O LEU A 36 0.546 0.652 -1.872 1.00 0.00 O ATOM 501 CB LEU A 36 3.094 1.991 -3.664 1.00 0.00 C ATOM 502 CG LEU A 36 3.725 2.308 -2.308 1.00 0.00 C ATOM 503 CD1 LEU A 36 3.993 1.028 -1.531 1.00 0.00 C ATOM 504 CD2 LEU A 36 5.010 3.102 -2.490 1.00 0.00 C ATOM 0 H LEU A 36 0.459 2.855 -2.209 1.00 0.00 H new ATOM 0 HA LEU A 36 1.229 1.779 -4.712 1.00 0.00 H new ATOM 0 HB2 LEU A 36 3.526 1.061 -4.035 1.00 0.00 H new ATOM 0 HB3 LEU A 36 3.376 2.776 -4.366 1.00 0.00 H new ATOM 0 HG LEU A 36 3.024 2.916 -1.736 1.00 0.00 H new ATOM 0 HD11 LEU A 36 4.442 1.274 -0.569 1.00 0.00 H new ATOM 0 HD12 LEU A 36 3.055 0.498 -1.369 1.00 0.00 H new ATOM 0 HD13 LEU A 36 4.675 0.394 -2.098 1.00 0.00 H new ATOM 0 HD21 LEU A 36 5.445 3.319 -1.514 1.00 0.00 H new ATOM 0 HD22 LEU A 36 5.717 2.520 -3.081 1.00 0.00 H new ATOM 0 HD23 LEU A 36 4.790 4.037 -3.005 1.00 0.00 H new ATOM 516 N VAL A 37 1.485 -0.564 -3.516 1.00 0.00 N ATOM 517 CA VAL A 37 1.148 -1.846 -2.910 1.00 0.00 C ATOM 518 C VAL A 37 2.359 -2.772 -2.874 1.00 0.00 C ATOM 519 O VAL A 37 2.925 -3.112 -3.913 1.00 0.00 O ATOM 520 CB VAL A 37 0.005 -2.544 -3.671 1.00 0.00 C ATOM 521 CG1 VAL A 37 -0.438 -3.800 -2.936 1.00 0.00 C ATOM 522 CG2 VAL A 37 -1.164 -1.590 -3.867 1.00 0.00 C ATOM 0 H VAL A 37 1.987 -0.635 -4.401 1.00 0.00 H new ATOM 0 HA VAL A 37 0.822 -1.638 -1.891 1.00 0.00 H new ATOM 0 HB VAL A 37 0.373 -2.839 -4.654 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -1.246 -4.279 -3.489 1.00 0.00 H new ATOM 0 HG12 VAL A 37 0.403 -4.489 -2.853 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -0.789 -3.534 -1.939 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -1.963 -2.099 -4.406 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -1.534 -1.263 -2.895 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -0.834 -0.723 -4.440 1.00 0.00 H new ATOM 532 N ARG A 38 2.751 -3.177 -1.670 1.00 0.00 N ATOM 533 CA ARG A 38 3.896 -4.063 -1.498 1.00 0.00 C ATOM 534 C ARG A 38 3.495 -5.329 -0.746 1.00 0.00 C ATOM 535 O ARG A 38 2.483 -5.353 -0.047 1.00 0.00 O ATOM 536 CB ARG A 38 5.017 -3.344 -0.745 1.00 0.00 C ATOM 537 CG ARG A 38 4.605 -2.847 0.631 1.00 0.00 C ATOM 538 CD ARG A 38 5.765 -2.179 1.352 1.00 0.00 C ATOM 539 NE ARG A 38 5.544 -2.106 2.794 1.00 0.00 N ATOM 540 CZ ARG A 38 5.675 -3.145 3.611 1.00 0.00 C ATOM 541 NH1 ARG A 38 6.025 -4.330 3.131 1.00 0.00 N ATOM 542 NH2 ARG A 38 5.457 -2.999 4.912 1.00 0.00 N ATOM 0 H ARG A 38 2.293 -2.906 -0.800 1.00 0.00 H new ATOM 0 HA ARG A 38 4.256 -4.346 -2.487 1.00 0.00 H new ATOM 0 HB2 ARG A 38 5.864 -4.021 -0.639 1.00 0.00 H new ATOM 0 HB3 ARG A 38 5.358 -2.497 -1.341 1.00 0.00 H new ATOM 0 HG2 ARG A 38 3.781 -2.140 0.532 1.00 0.00 H new ATOM 0 HG3 ARG A 38 4.238 -3.683 1.226 1.00 0.00 H new ATOM 0 HD2 ARG A 38 6.683 -2.733 1.153 1.00 0.00 H new ATOM 0 HD3 ARG A 38 5.908 -1.174 0.956 1.00 0.00 H new ATOM 0 HE ARG A 38 5.274 -1.208 3.196 1.00 0.00 H new ATOM 0 HH11 ARG A 38 6.195 -4.446 2.132 1.00 0.00 H new ATOM 0 HH12 ARG A 38 6.125 -5.126 3.761 1.00 0.00 H new ATOM 0 HH21 ARG A 38 5.189 -2.088 5.285 1.00 0.00 H new ATOM 0 HH22 ARG A 38 5.558 -3.797 5.539 1.00 0.00 H new ATOM 556 N ALA A 39 4.297 -6.379 -0.896 1.00 0.00 N ATOM 557 CA ALA A 39 4.026 -7.647 -0.230 1.00 0.00 C ATOM 558 C ALA A 39 4.368 -7.572 1.254 1.00 0.00 C ATOM 559 O ALA A 39 5.291 -6.861 1.653 1.00 0.00 O ATOM 560 CB ALA A 39 4.807 -8.770 -0.897 1.00 0.00 C ATOM 0 H ALA A 39 5.139 -6.376 -1.472 1.00 0.00 H new ATOM 0 HA ALA A 39 2.960 -7.856 -0.320 1.00 0.00 H new ATOM 0 HB1 ALA A 39 4.596 -9.711 -0.390 1.00 0.00 H new ATOM 0 HB2 ALA A 39 4.511 -8.847 -1.943 1.00 0.00 H new ATOM 0 HB3 ALA A 39 5.874 -8.557 -0.836 1.00 0.00 H new ATOM 566 N SER A 40 3.618 -8.308 2.068 1.00 0.00 N ATOM 567 CA SER A 40 3.839 -8.321 3.509 1.00 0.00 C ATOM 568 C SER A 40 5.114 -9.084 3.856 1.00 0.00 C ATOM 569 O SER A 40 5.689 -9.769 3.011 1.00 0.00 O ATOM 570 CB SER A 40 2.643 -8.953 4.224 1.00 0.00 C ATOM 571 OG SER A 40 2.934 -9.195 5.589 1.00 0.00 O ATOM 0 H SER A 40 2.852 -8.903 1.754 1.00 0.00 H new ATOM 0 HA SER A 40 3.950 -7.290 3.844 1.00 0.00 H new ATOM 0 HB2 SER A 40 1.778 -8.294 4.145 1.00 0.00 H new ATOM 0 HB3 SER A 40 2.376 -9.890 3.734 1.00 0.00 H new ATOM 0 HG SER A 40 2.153 -9.597 6.024 1.00 0.00 H new ATOM 577 N GLU A 41 5.549 -8.959 5.106 1.00 0.00 N ATOM 578 CA GLU A 41 6.756 -9.635 5.566 1.00 0.00 C ATOM 579 C GLU A 41 6.610 -11.150 5.448 1.00 0.00 C ATOM 580 O GLU A 41 5.872 -11.773 6.211 1.00 0.00 O ATOM 581 CB GLU A 41 7.062 -9.252 7.015 1.00 0.00 C ATOM 582 CG GLU A 41 7.947 -8.024 7.146 1.00 0.00 C ATOM 583 CD GLU A 41 8.312 -7.719 8.586 1.00 0.00 C ATOM 584 OE1 GLU A 41 7.419 -7.799 9.455 1.00 0.00 O ATOM 585 OE2 GLU A 41 9.492 -7.401 8.844 1.00 0.00 O ATOM 0 H GLU A 41 5.084 -8.396 5.818 1.00 0.00 H new ATOM 0 HA GLU A 41 7.583 -9.317 4.932 1.00 0.00 H new ATOM 0 HB2 GLU A 41 6.124 -9.071 7.540 1.00 0.00 H new ATOM 0 HB3 GLU A 41 7.547 -10.093 7.510 1.00 0.00 H new ATOM 0 HG2 GLU A 41 8.859 -8.175 6.568 1.00 0.00 H new ATOM 0 HG3 GLU A 41 7.435 -7.164 6.715 1.00 0.00 H new ATOM 592 N SER A 42 7.317 -11.734 4.487 1.00 0.00 N ATOM 593 CA SER A 42 7.263 -13.174 4.266 1.00 0.00 C ATOM 594 C SER A 42 5.819 -13.653 4.158 1.00 0.00 C ATOM 595 O SER A 42 5.490 -14.767 4.569 1.00 0.00 O ATOM 596 CB SER A 42 7.974 -13.913 5.402 1.00 0.00 C ATOM 597 OG SER A 42 8.249 -15.256 5.043 1.00 0.00 O ATOM 0 H SER A 42 7.934 -11.232 3.849 1.00 0.00 H new ATOM 0 HA SER A 42 7.771 -13.392 3.327 1.00 0.00 H new ATOM 0 HB2 SER A 42 8.905 -13.401 5.647 1.00 0.00 H new ATOM 0 HB3 SER A 42 7.353 -13.892 6.298 1.00 0.00 H new ATOM 0 HG SER A 42 7.418 -15.698 4.769 1.00 0.00 H new ATOM 603 N ILE A 43 4.961 -12.805 3.602 1.00 0.00 N ATOM 604 CA ILE A 43 3.552 -13.141 3.438 1.00 0.00 C ATOM 605 C ILE A 43 2.990 -12.544 2.153 1.00 0.00 C ATOM 606 O ILE A 43 2.748 -11.340 2.069 1.00 0.00 O ATOM 607 CB ILE A 43 2.713 -12.645 4.631 1.00 0.00 C ATOM 608 CG1 ILE A 43 3.157 -13.341 5.919 1.00 0.00 C ATOM 609 CG2 ILE A 43 1.233 -12.888 4.375 1.00 0.00 C ATOM 610 CD1 ILE A 43 2.660 -12.660 7.176 1.00 0.00 C ATOM 0 H ILE A 43 5.217 -11.880 3.257 1.00 0.00 H new ATOM 0 HA ILE A 43 3.491 -14.228 3.387 1.00 0.00 H new ATOM 0 HB ILE A 43 2.871 -11.573 4.746 1.00 0.00 H new ATOM 0 HG12 ILE A 43 2.800 -14.371 5.908 1.00 0.00 H new ATOM 0 HG13 ILE A 43 4.246 -13.382 5.944 1.00 0.00 H new ATOM 0 HG21 ILE A 43 0.653 -12.532 5.227 1.00 0.00 H new ATOM 0 HG22 ILE A 43 0.926 -12.351 3.477 1.00 0.00 H new ATOM 0 HG23 ILE A 43 1.058 -13.955 4.237 1.00 0.00 H new ATOM 0 HD11 ILE A 43 3.013 -13.207 8.050 1.00 0.00 H new ATOM 0 HD12 ILE A 43 3.039 -11.638 7.210 1.00 0.00 H new ATOM 0 HD13 ILE A 43 1.570 -12.643 7.174 1.00 0.00 H new ATOM 622 N SER A 44 2.783 -13.395 1.153 1.00 0.00 N ATOM 623 CA SER A 44 2.250 -12.952 -0.130 1.00 0.00 C ATOM 624 C SER A 44 0.743 -12.732 -0.047 1.00 0.00 C ATOM 625 O SER A 44 0.240 -11.663 -0.393 1.00 0.00 O ATOM 626 CB SER A 44 2.568 -13.978 -1.220 1.00 0.00 C ATOM 627 OG SER A 44 3.939 -14.337 -1.198 1.00 0.00 O ATOM 0 H SER A 44 2.976 -14.395 1.207 1.00 0.00 H new ATOM 0 HA SER A 44 2.724 -12.004 -0.384 1.00 0.00 H new ATOM 0 HB2 SER A 44 1.954 -14.867 -1.077 1.00 0.00 H new ATOM 0 HB3 SER A 44 2.312 -13.567 -2.197 1.00 0.00 H new ATOM 0 HG SER A 44 4.116 -14.995 -1.903 1.00 0.00 H new ATOM 633 N ARG A 45 0.028 -13.753 0.415 1.00 0.00 N ATOM 634 CA ARG A 45 -1.422 -13.673 0.544 1.00 0.00 C ATOM 635 C ARG A 45 -1.853 -12.280 0.993 1.00 0.00 C ATOM 636 O ARG A 45 -2.902 -11.782 0.587 1.00 0.00 O ATOM 637 CB ARG A 45 -1.926 -14.720 1.539 1.00 0.00 C ATOM 638 CG ARG A 45 -2.110 -16.101 0.929 1.00 0.00 C ATOM 639 CD ARG A 45 -2.100 -17.186 1.995 1.00 0.00 C ATOM 640 NE ARG A 45 -3.428 -17.411 2.560 1.00 0.00 N ATOM 641 CZ ARG A 45 -4.405 -18.038 1.914 1.00 0.00 C ATOM 642 NH1 ARG A 45 -4.203 -18.500 0.688 1.00 0.00 N ATOM 643 NH2 ARG A 45 -5.586 -18.204 2.495 1.00 0.00 N ATOM 0 H ARG A 45 0.429 -14.645 0.706 1.00 0.00 H new ATOM 0 HA ARG A 45 -1.859 -13.872 -0.435 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -1.222 -14.789 2.368 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -2.877 -14.386 1.955 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -3.052 -16.136 0.382 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -1.315 -16.290 0.208 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -1.728 -18.115 1.563 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -1.410 -16.906 2.791 1.00 0.00 H new ATOM 0 HE ARG A 45 -3.616 -17.068 3.502 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -3.296 -18.374 0.239 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -4.955 -18.981 0.194 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -5.744 -17.850 3.438 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -6.336 -18.685 1.998 1.00 0.00 H new ATOM 657 N ALA A 46 -1.035 -11.657 1.835 1.00 0.00 N ATOM 658 CA ALA A 46 -1.330 -10.321 2.339 1.00 0.00 C ATOM 659 C ALA A 46 -0.539 -9.261 1.580 1.00 0.00 C ATOM 660 O ALA A 46 0.412 -9.576 0.865 1.00 0.00 O ATOM 661 CB ALA A 46 -1.029 -10.241 3.829 1.00 0.00 C ATOM 0 H ALA A 46 -0.163 -12.056 2.183 1.00 0.00 H new ATOM 0 HA ALA A 46 -2.391 -10.126 2.183 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -1.254 -9.238 4.192 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -1.642 -10.966 4.364 1.00 0.00 H new ATOM 0 HB3 ALA A 46 0.025 -10.461 4.000 1.00 0.00 H new ATOM 667 N TYR A 47 -0.940 -8.005 1.739 1.00 0.00 N ATOM 668 CA TYR A 47 -0.270 -6.898 1.066 1.00 0.00 C ATOM 669 C TYR A 47 -0.269 -5.648 1.941 1.00 0.00 C ATOM 670 O TYR A 47 -0.876 -5.626 3.011 1.00 0.00 O ATOM 671 CB TYR A 47 -0.952 -6.598 -0.270 1.00 0.00 C ATOM 672 CG TYR A 47 -0.512 -7.510 -1.393 1.00 0.00 C ATOM 673 CD1 TYR A 47 0.633 -7.233 -2.130 1.00 0.00 C ATOM 674 CD2 TYR A 47 -1.240 -8.648 -1.716 1.00 0.00 C ATOM 675 CE1 TYR A 47 1.038 -8.063 -3.157 1.00 0.00 C ATOM 676 CE2 TYR A 47 -0.841 -9.484 -2.741 1.00 0.00 C ATOM 677 CZ TYR A 47 0.298 -9.187 -3.459 1.00 0.00 C ATOM 678 OH TYR A 47 0.700 -10.017 -4.481 1.00 0.00 O ATOM 0 H TYR A 47 -1.725 -7.728 2.328 1.00 0.00 H new ATOM 0 HA TYR A 47 0.764 -7.191 0.881 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -2.031 -6.684 -0.145 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -0.745 -5.565 -0.550 1.00 0.00 H new ATOM 0 HD1 TYR A 47 1.216 -6.354 -1.896 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -2.133 -8.883 -1.156 1.00 0.00 H new ATOM 0 HE1 TYR A 47 1.930 -7.833 -3.721 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -1.418 -10.365 -2.979 1.00 0.00 H new ATOM 0 HH TYR A 47 0.070 -10.763 -4.563 1.00 0.00 H new ATOM 688 N ALA A 48 0.418 -4.610 1.477 1.00 0.00 N ATOM 689 CA ALA A 48 0.497 -3.355 2.215 1.00 0.00 C ATOM 690 C ALA A 48 0.277 -2.161 1.292 1.00 0.00 C ATOM 691 O ALA A 48 1.064 -1.917 0.377 1.00 0.00 O ATOM 692 CB ALA A 48 1.842 -3.240 2.918 1.00 0.00 C ATOM 0 H ALA A 48 0.928 -4.613 0.594 1.00 0.00 H new ATOM 0 HA ALA A 48 -0.294 -3.352 2.965 1.00 0.00 H new ATOM 0 HB1 ALA A 48 1.887 -2.298 3.465 1.00 0.00 H new ATOM 0 HB2 ALA A 48 1.961 -4.070 3.614 1.00 0.00 H new ATOM 0 HB3 ALA A 48 2.643 -3.269 2.179 1.00 0.00 H new ATOM 698 N LEU A 49 -0.798 -1.420 1.538 1.00 0.00 N ATOM 699 CA LEU A 49 -1.123 -0.251 0.728 1.00 0.00 C ATOM 700 C LEU A 49 -0.722 1.035 1.444 1.00 0.00 C ATOM 701 O LEU A 49 -1.413 1.491 2.355 1.00 0.00 O ATOM 702 CB LEU A 49 -2.619 -0.226 0.410 1.00 0.00 C ATOM 703 CG LEU A 49 -3.166 1.091 -0.142 1.00 0.00 C ATOM 704 CD1 LEU A 49 -2.685 1.313 -1.568 1.00 0.00 C ATOM 705 CD2 LEU A 49 -4.686 1.104 -0.082 1.00 0.00 C ATOM 0 H LEU A 49 -1.459 -1.608 2.292 1.00 0.00 H new ATOM 0 HA LEU A 49 -0.561 -0.317 -0.204 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -2.830 -1.015 -0.312 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -3.168 -0.471 1.319 1.00 0.00 H new ATOM 0 HG LEU A 49 -2.791 1.906 0.477 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -3.084 2.255 -1.944 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -1.596 1.349 -1.583 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -3.030 0.495 -2.200 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -5.058 2.049 -0.479 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -5.081 0.280 -0.677 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -5.010 0.992 0.953 1.00 0.00 H new ATOM 717 N CYS A 50 0.396 1.616 1.023 1.00 0.00 N ATOM 718 CA CYS A 50 0.888 2.851 1.623 1.00 0.00 C ATOM 719 C CYS A 50 0.246 4.068 0.966 1.00 0.00 C ATOM 720 O CYS A 50 -0.274 3.984 -0.147 1.00 0.00 O ATOM 721 CB CYS A 50 2.410 2.932 1.497 1.00 0.00 C ATOM 722 SG CYS A 50 3.272 1.411 1.959 1.00 0.00 S ATOM 0 H CYS A 50 0.979 1.252 0.269 1.00 0.00 H new ATOM 0 HA CYS A 50 0.618 2.846 2.679 1.00 0.00 H new ATOM 0 HB2 CYS A 50 2.666 3.183 0.468 1.00 0.00 H new ATOM 0 HB3 CYS A 50 2.773 3.747 2.123 1.00 0.00 H new ATOM 0 HG CYS A 50 4.351 1.708 2.620 1.00 0.00 H new ATOM 728 N VAL A 51 0.284 5.199 1.663 1.00 0.00 N ATOM 729 CA VAL A 51 -0.295 6.434 1.148 1.00 0.00 C ATOM 730 C VAL A 51 0.347 7.655 1.797 1.00 0.00 C ATOM 731 O VAL A 51 0.552 7.691 3.011 1.00 0.00 O ATOM 732 CB VAL A 51 -1.817 6.482 1.384 1.00 0.00 C ATOM 733 CG1 VAL A 51 -2.351 7.886 1.145 1.00 0.00 C ATOM 734 CG2 VAL A 51 -2.526 5.474 0.492 1.00 0.00 C ATOM 0 H VAL A 51 0.710 5.286 2.586 1.00 0.00 H new ATOM 0 HA VAL A 51 -0.100 6.451 0.076 1.00 0.00 H new ATOM 0 HB VAL A 51 -2.015 6.216 2.423 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -3.427 7.900 1.316 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -1.865 8.581 1.830 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -2.143 8.184 0.117 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -3.600 5.521 0.672 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -2.322 5.707 -0.553 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -2.164 4.471 0.718 1.00 0.00 H new ATOM 744 N LEU A 52 0.663 8.655 0.981 1.00 0.00 N ATOM 745 CA LEU A 52 1.283 9.879 1.475 1.00 0.00 C ATOM 746 C LEU A 52 0.330 11.063 1.343 1.00 0.00 C ATOM 747 O LEU A 52 -0.048 11.448 0.236 1.00 0.00 O ATOM 748 CB LEU A 52 2.577 10.164 0.711 1.00 0.00 C ATOM 749 CG LEU A 52 3.460 11.277 1.277 1.00 0.00 C ATOM 750 CD1 LEU A 52 4.223 10.785 2.497 1.00 0.00 C ATOM 751 CD2 LEU A 52 4.421 11.788 0.214 1.00 0.00 C ATOM 0 H LEU A 52 0.500 8.642 -0.026 1.00 0.00 H new ATOM 0 HA LEU A 52 1.516 9.739 2.531 1.00 0.00 H new ATOM 0 HB2 LEU A 52 3.163 9.246 0.674 1.00 0.00 H new ATOM 0 HB3 LEU A 52 2.320 10.419 -0.317 1.00 0.00 H new ATOM 0 HG LEU A 52 2.818 12.103 1.585 1.00 0.00 H new ATOM 0 HD11 LEU A 52 4.846 11.591 2.886 1.00 0.00 H new ATOM 0 HD12 LEU A 52 3.517 10.469 3.265 1.00 0.00 H new ATOM 0 HD13 LEU A 52 4.854 9.942 2.216 1.00 0.00 H new ATOM 0 HD21 LEU A 52 5.041 12.579 0.635 1.00 0.00 H new ATOM 0 HD22 LEU A 52 5.057 10.970 -0.125 1.00 0.00 H new ATOM 0 HD23 LEU A 52 3.854 12.181 -0.630 1.00 0.00 H new ATOM 763 N TYR A 53 -0.052 11.638 2.477 1.00 0.00 N ATOM 764 CA TYR A 53 -0.961 12.778 2.488 1.00 0.00 C ATOM 765 C TYR A 53 -0.393 13.920 3.326 1.00 0.00 C ATOM 766 O TYR A 53 -0.307 15.059 2.866 1.00 0.00 O ATOM 767 CB TYR A 53 -2.328 12.362 3.034 1.00 0.00 C ATOM 768 CG TYR A 53 -3.311 13.507 3.142 1.00 0.00 C ATOM 769 CD1 TYR A 53 -3.789 14.147 2.005 1.00 0.00 C ATOM 770 CD2 TYR A 53 -3.760 13.949 4.380 1.00 0.00 C ATOM 771 CE1 TYR A 53 -4.686 15.193 2.098 1.00 0.00 C ATOM 772 CE2 TYR A 53 -4.658 14.993 4.483 1.00 0.00 C ATOM 773 CZ TYR A 53 -5.118 15.612 3.340 1.00 0.00 C ATOM 774 OH TYR A 53 -6.011 16.654 3.438 1.00 0.00 O ATOM 0 H TYR A 53 0.254 11.334 3.401 1.00 0.00 H new ATOM 0 HA TYR A 53 -1.077 13.127 1.462 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -2.749 11.592 2.387 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -2.196 11.914 4.019 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -3.453 13.821 1.032 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -3.401 13.468 5.278 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -5.047 15.680 1.204 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -4.998 15.323 5.454 1.00 0.00 H new ATOM 0 HH TYR A 53 -6.214 16.823 4.382 1.00 0.00 H new ATOM 784 N ARG A 54 -0.005 13.605 4.558 1.00 0.00 N ATOM 785 CA ARG A 54 0.555 14.603 5.461 1.00 0.00 C ATOM 786 C ARG A 54 1.884 14.127 6.041 1.00 0.00 C ATOM 787 O ARG A 54 1.935 13.610 7.156 1.00 0.00 O ATOM 788 CB ARG A 54 -0.428 14.907 6.592 1.00 0.00 C ATOM 789 CG ARG A 54 -1.696 15.604 6.126 1.00 0.00 C ATOM 790 CD ARG A 54 -1.528 17.115 6.111 1.00 0.00 C ATOM 791 NE ARG A 54 -0.627 17.555 5.049 1.00 0.00 N ATOM 792 CZ ARG A 54 -0.061 18.756 5.016 1.00 0.00 C ATOM 793 NH1 ARG A 54 -0.302 19.633 5.981 1.00 0.00 N ATOM 794 NH2 ARG A 54 0.747 19.083 4.016 1.00 0.00 N ATOM 0 H ARG A 54 -0.068 12.667 4.953 1.00 0.00 H new ATOM 0 HA ARG A 54 0.733 15.514 4.890 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -0.697 13.975 7.088 1.00 0.00 H new ATOM 0 HB3 ARG A 54 0.068 15.532 7.335 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -1.957 15.256 5.127 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -2.523 15.335 6.784 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -2.502 17.587 5.979 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -1.141 17.446 7.075 1.00 0.00 H new ATOM 0 HE ARG A 54 -0.421 16.904 4.291 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -0.923 19.386 6.751 1.00 0.00 H new ATOM 0 HH12 ARG A 54 0.134 20.555 5.953 1.00 0.00 H new ATOM 0 HH21 ARG A 54 0.934 18.412 3.271 1.00 0.00 H new ATOM 0 HH22 ARG A 54 1.181 20.006 3.992 1.00 0.00 H new ATOM 808 N ASN A 55 2.955 14.304 5.276 1.00 0.00 N ATOM 809 CA ASN A 55 4.284 13.891 5.713 1.00 0.00 C ATOM 810 C ASN A 55 4.213 12.603 6.527 1.00 0.00 C ATOM 811 O ASN A 55 4.984 12.406 7.466 1.00 0.00 O ATOM 812 CB ASN A 55 4.936 14.997 6.545 1.00 0.00 C ATOM 813 CG ASN A 55 5.533 16.093 5.684 1.00 0.00 C ATOM 814 OD1 ASN A 55 4.844 17.035 5.292 1.00 0.00 O ATOM 815 ND2 ASN A 55 6.821 15.974 5.383 1.00 0.00 N ATOM 0 H ASN A 55 2.929 14.731 4.350 1.00 0.00 H new ATOM 0 HA ASN A 55 4.890 13.707 4.826 1.00 0.00 H new ATOM 0 HB2 ASN A 55 4.193 15.429 7.215 1.00 0.00 H new ATOM 0 HB3 ASN A 55 5.717 14.565 7.171 1.00 0.00 H new ATOM 0 HD21 ASN A 55 7.277 16.680 4.805 1.00 0.00 H new ATOM 0 HD22 ASN A 55 7.354 15.176 5.730 1.00 0.00 H new ATOM 822 N CYS A 56 3.283 11.728 6.159 1.00 0.00 N ATOM 823 CA CYS A 56 3.110 10.458 6.855 1.00 0.00 C ATOM 824 C CYS A 56 2.713 9.354 5.880 1.00 0.00 C ATOM 825 O CYS A 56 2.198 9.625 4.795 1.00 0.00 O ATOM 826 CB CYS A 56 2.051 10.592 7.951 1.00 0.00 C ATOM 827 SG CYS A 56 2.673 11.301 9.494 1.00 0.00 S ATOM 0 H CYS A 56 2.638 11.875 5.383 1.00 0.00 H new ATOM 0 HA CYS A 56 4.063 10.190 7.312 1.00 0.00 H new ATOM 0 HB2 CYS A 56 1.236 11.214 7.580 1.00 0.00 H new ATOM 0 HB3 CYS A 56 1.632 9.608 8.159 1.00 0.00 H new ATOM 0 HG CYS A 56 3.755 11.981 9.254 1.00 0.00 H new ATOM 833 N VAL A 57 2.958 8.108 6.274 1.00 0.00 N ATOM 834 CA VAL A 57 2.627 6.962 5.435 1.00 0.00 C ATOM 835 C VAL A 57 1.624 6.046 6.128 1.00 0.00 C ATOM 836 O VAL A 57 1.992 5.241 6.984 1.00 0.00 O ATOM 837 CB VAL A 57 3.884 6.150 5.073 1.00 0.00 C ATOM 838 CG1 VAL A 57 3.498 4.779 4.538 1.00 0.00 C ATOM 839 CG2 VAL A 57 4.734 6.906 4.063 1.00 0.00 C ATOM 0 H VAL A 57 3.384 7.867 7.169 1.00 0.00 H new ATOM 0 HA VAL A 57 2.183 7.356 4.521 1.00 0.00 H new ATOM 0 HB VAL A 57 4.476 6.007 5.977 1.00 0.00 H new ATOM 0 HG11 VAL A 57 4.399 4.219 4.287 1.00 0.00 H new ATOM 0 HG12 VAL A 57 2.934 4.238 5.298 1.00 0.00 H new ATOM 0 HG13 VAL A 57 2.884 4.897 3.645 1.00 0.00 H new ATOM 0 HG21 VAL A 57 5.618 6.317 3.819 1.00 0.00 H new ATOM 0 HG22 VAL A 57 4.153 7.081 3.157 1.00 0.00 H new ATOM 0 HG23 VAL A 57 5.040 7.862 4.488 1.00 0.00 H new ATOM 849 N TYR A 58 0.357 6.172 5.751 1.00 0.00 N ATOM 850 CA TYR A 58 -0.700 5.356 6.337 1.00 0.00 C ATOM 851 C TYR A 58 -0.835 4.027 5.599 1.00 0.00 C ATOM 852 O TYR A 58 -1.505 3.940 4.569 1.00 0.00 O ATOM 853 CB TYR A 58 -2.031 6.108 6.304 1.00 0.00 C ATOM 854 CG TYR A 58 -1.921 7.553 6.734 1.00 0.00 C ATOM 855 CD1 TYR A 58 -2.062 7.915 8.068 1.00 0.00 C ATOM 856 CD2 TYR A 58 -1.675 8.558 5.806 1.00 0.00 C ATOM 857 CE1 TYR A 58 -1.963 9.234 8.466 1.00 0.00 C ATOM 858 CE2 TYR A 58 -1.573 9.880 6.195 1.00 0.00 C ATOM 859 CZ TYR A 58 -1.718 10.213 7.525 1.00 0.00 C ATOM 860 OH TYR A 58 -1.617 11.528 7.917 1.00 0.00 O ATOM 0 H TYR A 58 0.036 6.832 5.042 1.00 0.00 H new ATOM 0 HA TYR A 58 -0.433 5.150 7.373 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -2.436 6.068 5.293 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -2.743 5.598 6.953 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -2.252 7.151 8.807 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -1.562 8.301 4.763 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -2.077 9.497 9.507 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -1.381 10.648 5.461 1.00 0.00 H new ATOM 0 HH TYR A 58 -1.270 11.571 8.832 1.00 0.00 H new ATOM 870 N THR A 59 -0.193 2.993 6.134 1.00 0.00 N ATOM 871 CA THR A 59 -0.240 1.668 5.527 1.00 0.00 C ATOM 872 C THR A 59 -1.584 0.995 5.782 1.00 0.00 C ATOM 873 O THR A 59 -2.214 1.216 6.816 1.00 0.00 O ATOM 874 CB THR A 59 0.885 0.764 6.066 1.00 0.00 C ATOM 875 OG1 THR A 59 1.210 1.135 7.410 1.00 0.00 O ATOM 876 CG2 THR A 59 2.126 0.866 5.192 1.00 0.00 C ATOM 0 H THR A 59 0.365 3.047 6.986 1.00 0.00 H new ATOM 0 HA THR A 59 -0.103 1.805 4.454 1.00 0.00 H new ATOM 0 HB THR A 59 0.532 -0.267 6.050 1.00 0.00 H new ATOM 0 HG1 THR A 59 1.925 0.555 7.746 1.00 0.00 H new ATOM 0 HG21 THR A 59 2.907 0.219 5.592 1.00 0.00 H new ATOM 0 HG22 THR A 59 1.882 0.555 4.176 1.00 0.00 H new ATOM 0 HG23 THR A 59 2.479 1.897 5.181 1.00 0.00 H new ATOM 884 N TYR A 60 -2.016 0.172 4.833 1.00 0.00 N ATOM 885 CA TYR A 60 -3.287 -0.533 4.954 1.00 0.00 C ATOM 886 C TYR A 60 -3.126 -2.010 4.605 1.00 0.00 C ATOM 887 O TYR A 60 -3.444 -2.435 3.494 1.00 0.00 O ATOM 888 CB TYR A 60 -4.337 0.106 4.045 1.00 0.00 C ATOM 889 CG TYR A 60 -4.874 1.418 4.569 1.00 0.00 C ATOM 890 CD1 TYR A 60 -5.643 1.465 5.725 1.00 0.00 C ATOM 891 CD2 TYR A 60 -4.612 2.612 3.908 1.00 0.00 C ATOM 892 CE1 TYR A 60 -6.136 2.662 6.207 1.00 0.00 C ATOM 893 CE2 TYR A 60 -5.100 3.814 4.383 1.00 0.00 C ATOM 894 CZ TYR A 60 -5.862 3.834 5.533 1.00 0.00 C ATOM 895 OH TYR A 60 -6.350 5.028 6.011 1.00 0.00 O ATOM 0 H TYR A 60 -1.505 -0.023 3.972 1.00 0.00 H new ATOM 0 HA TYR A 60 -3.619 -0.457 5.990 1.00 0.00 H new ATOM 0 HB2 TYR A 60 -3.901 0.269 3.059 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -5.166 -0.590 3.916 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -5.859 0.550 6.256 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -4.016 2.600 3.007 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -6.733 2.680 7.107 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -4.886 4.733 3.857 1.00 0.00 H new ATOM 0 HH TYR A 60 -6.066 5.757 5.421 1.00 0.00 H new ATOM 905 N ARG A 61 -2.630 -2.787 5.562 1.00 0.00 N ATOM 906 CA ARG A 61 -2.425 -4.216 5.357 1.00 0.00 C ATOM 907 C ARG A 61 -3.687 -4.871 4.802 1.00 0.00 C ATOM 908 O ARG A 61 -4.752 -4.809 5.418 1.00 0.00 O ATOM 909 CB ARG A 61 -2.023 -4.889 6.670 1.00 0.00 C ATOM 910 CG ARG A 61 -3.055 -4.732 7.776 1.00 0.00 C ATOM 911 CD ARG A 61 -2.512 -5.206 9.115 1.00 0.00 C ATOM 912 NE ARG A 61 -1.635 -4.215 9.732 1.00 0.00 N ATOM 913 CZ ARG A 61 -2.074 -3.097 10.300 1.00 0.00 C ATOM 914 NH1 ARG A 61 -3.373 -2.830 10.328 1.00 0.00 N ATOM 915 NH2 ARG A 61 -1.214 -2.243 10.840 1.00 0.00 N ATOM 0 H ARG A 61 -2.363 -2.451 6.487 1.00 0.00 H new ATOM 0 HA ARG A 61 -1.621 -4.342 4.632 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -1.856 -5.951 6.488 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -1.075 -4.471 7.007 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -3.352 -3.686 7.852 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -3.950 -5.300 7.523 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -3.343 -5.423 9.787 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -1.964 -6.138 8.975 1.00 0.00 H new ATOM 0 HE ARG A 61 -0.630 -4.391 9.727 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -4.037 -3.484 9.913 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -3.708 -1.971 10.765 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -0.214 -2.444 10.819 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -1.553 -1.385 11.276 1.00 0.00 H new ATOM 929 N ILE A 62 -3.559 -5.498 3.638 1.00 0.00 N ATOM 930 CA ILE A 62 -4.688 -6.165 3.002 1.00 0.00 C ATOM 931 C ILE A 62 -4.682 -7.660 3.299 1.00 0.00 C ATOM 932 O ILE A 62 -3.944 -8.425 2.676 1.00 0.00 O ATOM 933 CB ILE A 62 -4.678 -5.956 1.476 1.00 0.00 C ATOM 934 CG1 ILE A 62 -4.731 -4.463 1.143 1.00 0.00 C ATOM 935 CG2 ILE A 62 -5.846 -6.689 0.833 1.00 0.00 C ATOM 936 CD1 ILE A 62 -3.367 -3.820 1.030 1.00 0.00 C ATOM 0 H ILE A 62 -2.685 -5.558 3.116 1.00 0.00 H new ATOM 0 HA ILE A 62 -5.592 -5.719 3.416 1.00 0.00 H new ATOM 0 HB ILE A 62 -3.751 -6.366 1.074 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -5.266 -4.328 0.203 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -5.304 -3.947 1.914 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -5.825 -6.532 -0.245 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -5.768 -7.755 1.046 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -6.783 -6.306 1.237 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -3.482 -2.762 0.792 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -2.836 -3.924 1.976 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -2.798 -4.310 0.240 1.00 0.00 H new ATOM 948 N LEU A 63 -5.509 -8.072 4.253 1.00 0.00 N ATOM 949 CA LEU A 63 -5.602 -9.477 4.632 1.00 0.00 C ATOM 950 C LEU A 63 -6.481 -10.249 3.653 1.00 0.00 C ATOM 951 O LEU A 63 -7.472 -9.735 3.133 1.00 0.00 O ATOM 952 CB LEU A 63 -6.160 -9.608 6.050 1.00 0.00 C ATOM 953 CG LEU A 63 -5.233 -9.161 7.180 1.00 0.00 C ATOM 954 CD1 LEU A 63 -4.123 -10.178 7.395 1.00 0.00 C ATOM 955 CD2 LEU A 63 -4.650 -7.788 6.880 1.00 0.00 C ATOM 0 H LEU A 63 -6.125 -7.452 4.779 1.00 0.00 H new ATOM 0 HA LEU A 63 -4.599 -9.902 4.603 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -7.081 -9.028 6.112 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -6.428 -10.651 6.218 1.00 0.00 H new ATOM 0 HG LEU A 63 -5.818 -9.093 8.098 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -3.473 -9.842 8.203 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -4.559 -11.142 7.656 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -3.540 -10.279 6.480 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -3.993 -7.486 7.695 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -4.081 -7.829 5.951 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -5.458 -7.064 6.778 1.00 0.00 H new ATOM 967 N PRO A 64 -6.114 -11.513 3.398 1.00 0.00 N ATOM 968 CA PRO A 64 -6.858 -12.384 2.482 1.00 0.00 C ATOM 969 C PRO A 64 -8.217 -12.789 3.044 1.00 0.00 C ATOM 970 O PRO A 64 -8.427 -12.778 4.256 1.00 0.00 O ATOM 971 CB PRO A 64 -5.951 -13.609 2.342 1.00 0.00 C ATOM 972 CG PRO A 64 -5.146 -13.630 3.596 1.00 0.00 C ATOM 973 CD PRO A 64 -4.945 -12.191 3.983 1.00 0.00 C ATOM 0 HA PRO A 64 -7.077 -11.889 1.536 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -6.535 -14.523 2.231 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -5.312 -13.530 1.463 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -5.664 -14.177 4.383 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -4.190 -14.129 3.438 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -4.909 -12.067 5.065 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -4.010 -11.795 3.586 1.00 0.00 H new ATOM 981 N ASN A 65 -9.137 -13.145 2.153 1.00 0.00 N ATOM 982 CA ASN A 65 -10.477 -13.554 2.560 1.00 0.00 C ATOM 983 C ASN A 65 -10.664 -15.058 2.385 1.00 0.00 C ATOM 984 O ASN A 65 -9.833 -15.729 1.775 1.00 0.00 O ATOM 985 CB ASN A 65 -11.531 -12.799 1.748 1.00 0.00 C ATOM 986 CG ASN A 65 -12.916 -12.905 2.359 1.00 0.00 C ATOM 987 OD1 ASN A 65 -13.110 -12.613 3.539 1.00 0.00 O ATOM 988 ND2 ASN A 65 -13.886 -13.324 1.555 1.00 0.00 N ATOM 0 H ASN A 65 -8.979 -13.159 1.145 1.00 0.00 H new ATOM 0 HA ASN A 65 -10.599 -13.312 3.616 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -11.248 -11.749 1.677 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -11.554 -13.193 0.732 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -14.838 -13.415 1.909 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -13.679 -13.555 0.583 1.00 0.00 H new ATOM 995 N GLU A 66 -11.762 -15.579 2.925 1.00 0.00 N ATOM 996 CA GLU A 66 -12.057 -17.003 2.827 1.00 0.00 C ATOM 997 C GLU A 66 -11.980 -17.478 1.379 1.00 0.00 C ATOM 998 O GLU A 66 -11.628 -18.626 1.109 1.00 0.00 O ATOM 999 CB GLU A 66 -13.446 -17.299 3.399 1.00 0.00 C ATOM 1000 CG GLU A 66 -13.598 -18.715 3.927 1.00 0.00 C ATOM 1001 CD GLU A 66 -12.796 -18.956 5.191 1.00 0.00 C ATOM 1002 OE1 GLU A 66 -11.620 -19.360 5.080 1.00 0.00 O ATOM 1003 OE2 GLU A 66 -13.346 -18.740 6.291 1.00 0.00 O ATOM 0 H GLU A 66 -12.460 -15.037 3.434 1.00 0.00 H new ATOM 0 HA GLU A 66 -11.309 -17.543 3.408 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -13.655 -16.595 4.205 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -14.193 -17.127 2.624 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -14.651 -18.913 4.126 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -13.280 -19.421 3.160 1.00 0.00 H new ATOM 1010 N ASP A 67 -12.311 -16.586 0.452 1.00 0.00 N ATOM 1011 CA ASP A 67 -12.279 -16.911 -0.969 1.00 0.00 C ATOM 1012 C ASP A 67 -10.951 -16.493 -1.592 1.00 0.00 C ATOM 1013 O ASP A 67 -10.867 -16.253 -2.797 1.00 0.00 O ATOM 1014 CB ASP A 67 -13.436 -16.227 -1.697 1.00 0.00 C ATOM 1015 CG ASP A 67 -14.734 -17.003 -1.581 1.00 0.00 C ATOM 1016 OD1 ASP A 67 -15.230 -17.163 -0.445 1.00 0.00 O ATOM 1017 OD2 ASP A 67 -15.253 -17.450 -2.624 1.00 0.00 O ATOM 0 H ASP A 67 -12.605 -15.631 0.659 1.00 0.00 H new ATOM 0 HA ASP A 67 -12.384 -17.991 -1.072 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -13.577 -15.226 -1.289 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -13.180 -16.109 -2.750 1.00 0.00 H new ATOM 1022 N ASP A 68 -9.916 -16.406 -0.764 1.00 0.00 N ATOM 1023 CA ASP A 68 -8.591 -16.016 -1.234 1.00 0.00 C ATOM 1024 C ASP A 68 -8.657 -14.714 -2.026 1.00 0.00 C ATOM 1025 O ASP A 68 -7.891 -14.508 -2.968 1.00 0.00 O ATOM 1026 CB ASP A 68 -7.987 -17.124 -2.099 1.00 0.00 C ATOM 1027 CG ASP A 68 -7.198 -18.129 -1.284 1.00 0.00 C ATOM 1028 OD1 ASP A 68 -6.213 -17.722 -0.632 1.00 0.00 O ATOM 1029 OD2 ASP A 68 -7.565 -19.323 -1.297 1.00 0.00 O ATOM 0 H ASP A 68 -9.968 -16.600 0.236 1.00 0.00 H new ATOM 0 HA ASP A 68 -7.955 -15.858 -0.363 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -8.785 -17.640 -2.633 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -7.336 -16.679 -2.851 1.00 0.00 H new ATOM 1034 N LYS A 69 -9.578 -13.838 -1.639 1.00 0.00 N ATOM 1035 CA LYS A 69 -9.745 -12.556 -2.312 1.00 0.00 C ATOM 1036 C LYS A 69 -8.896 -11.477 -1.646 1.00 0.00 C ATOM 1037 O LYS A 69 -8.229 -11.730 -0.642 1.00 0.00 O ATOM 1038 CB LYS A 69 -11.218 -12.139 -2.302 1.00 0.00 C ATOM 1039 CG LYS A 69 -12.119 -13.072 -3.092 1.00 0.00 C ATOM 1040 CD LYS A 69 -12.171 -12.686 -4.561 1.00 0.00 C ATOM 1041 CE LYS A 69 -12.849 -13.761 -5.396 1.00 0.00 C ATOM 1042 NZ LYS A 69 -13.500 -13.193 -6.609 1.00 0.00 N ATOM 0 H LYS A 69 -10.221 -13.993 -0.862 1.00 0.00 H new ATOM 0 HA LYS A 69 -9.413 -12.670 -3.344 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -11.568 -12.096 -1.271 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -11.305 -11.132 -2.710 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -11.757 -14.096 -2.997 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -13.125 -13.049 -2.673 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -12.709 -11.744 -4.672 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -11.159 -12.521 -4.931 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -12.113 -14.507 -5.695 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -13.595 -14.275 -4.790 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -14.372 -13.721 -6.814 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -13.731 -12.193 -6.443 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -12.852 -13.268 -7.419 1.00 0.00 H new ATOM 1056 N PHE A 70 -8.927 -10.274 -2.209 1.00 0.00 N ATOM 1057 CA PHE A 70 -8.161 -9.157 -1.669 1.00 0.00 C ATOM 1058 C PHE A 70 -9.087 -8.047 -1.182 1.00 0.00 C ATOM 1059 O PHE A 70 -9.940 -7.561 -1.926 1.00 0.00 O ATOM 1060 CB PHE A 70 -7.203 -8.608 -2.729 1.00 0.00 C ATOM 1061 CG PHE A 70 -6.118 -9.573 -3.114 1.00 0.00 C ATOM 1062 CD1 PHE A 70 -5.151 -9.950 -2.195 1.00 0.00 C ATOM 1063 CD2 PHE A 70 -6.065 -10.103 -4.393 1.00 0.00 C ATOM 1064 CE1 PHE A 70 -4.151 -10.837 -2.547 1.00 0.00 C ATOM 1065 CE2 PHE A 70 -5.067 -10.991 -4.750 1.00 0.00 C ATOM 1066 CZ PHE A 70 -4.110 -11.359 -3.825 1.00 0.00 C ATOM 0 H PHE A 70 -9.474 -10.048 -3.039 1.00 0.00 H new ATOM 0 HA PHE A 70 -7.583 -9.523 -0.820 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -7.773 -8.341 -3.619 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -6.747 -7.691 -2.355 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -5.179 -9.546 -1.194 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -6.812 -9.819 -5.120 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -3.402 -11.122 -1.823 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -5.036 -11.396 -5.751 1.00 0.00 H new ATOM 0 HZ PHE A 70 -3.331 -12.054 -4.101 1.00 0.00 H new ATOM 1076 N THR A 71 -8.915 -7.651 0.076 1.00 0.00 N ATOM 1077 CA THR A 71 -9.736 -6.600 0.665 1.00 0.00 C ATOM 1078 C THR A 71 -8.988 -5.879 1.781 1.00 0.00 C ATOM 1079 O THR A 71 -8.538 -6.501 2.743 1.00 0.00 O ATOM 1080 CB THR A 71 -11.054 -7.166 1.228 1.00 0.00 C ATOM 1081 OG1 THR A 71 -11.674 -6.201 2.085 1.00 0.00 O ATOM 1082 CG2 THR A 71 -10.804 -8.452 2.000 1.00 0.00 C ATOM 0 H THR A 71 -8.215 -8.042 0.706 1.00 0.00 H new ATOM 0 HA THR A 71 -9.964 -5.892 -0.132 1.00 0.00 H new ATOM 0 HB THR A 71 -11.717 -7.387 0.391 1.00 0.00 H new ATOM 0 HG1 THR A 71 -12.514 -6.565 2.434 1.00 0.00 H new ATOM 0 HG21 THR A 71 -11.749 -8.833 2.388 1.00 0.00 H new ATOM 0 HG22 THR A 71 -10.359 -9.194 1.337 1.00 0.00 H new ATOM 0 HG23 THR A 71 -10.125 -8.252 2.829 1.00 0.00 H new ATOM 1090 N VAL A 72 -8.860 -4.563 1.646 1.00 0.00 N ATOM 1091 CA VAL A 72 -8.168 -3.756 2.645 1.00 0.00 C ATOM 1092 C VAL A 72 -8.780 -3.949 4.027 1.00 0.00 C ATOM 1093 O VAL A 72 -10.001 -3.954 4.181 1.00 0.00 O ATOM 1094 CB VAL A 72 -8.207 -2.260 2.282 1.00 0.00 C ATOM 1095 CG1 VAL A 72 -7.512 -1.433 3.353 1.00 0.00 C ATOM 1096 CG2 VAL A 72 -7.573 -2.025 0.920 1.00 0.00 C ATOM 0 H VAL A 72 -9.226 -4.033 0.855 1.00 0.00 H new ATOM 0 HA VAL A 72 -7.131 -4.092 2.661 1.00 0.00 H new ATOM 0 HB VAL A 72 -9.249 -1.943 2.231 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -7.549 -0.378 3.080 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -8.016 -1.578 4.309 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -6.472 -1.749 3.439 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -7.610 -0.962 0.680 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -6.535 -2.357 0.940 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -8.119 -2.587 0.162 1.00 0.00 H new ATOM 1106 N GLN A 73 -7.923 -4.108 5.031 1.00 0.00 N ATOM 1107 CA GLN A 73 -8.381 -4.302 6.402 1.00 0.00 C ATOM 1108 C GLN A 73 -8.189 -3.032 7.224 1.00 0.00 C ATOM 1109 O GLN A 73 -7.244 -2.922 8.004 1.00 0.00 O ATOM 1110 CB GLN A 73 -7.628 -5.464 7.053 1.00 0.00 C ATOM 1111 CG GLN A 73 -8.245 -5.930 8.362 1.00 0.00 C ATOM 1112 CD GLN A 73 -7.470 -7.066 9.000 1.00 0.00 C ATOM 1113 OE1 GLN A 73 -7.756 -8.240 8.761 1.00 0.00 O ATOM 1114 NE2 GLN A 73 -6.482 -6.723 9.818 1.00 0.00 N ATOM 0 H GLN A 73 -6.909 -4.106 4.921 1.00 0.00 H new ATOM 0 HA GLN A 73 -9.445 -4.538 6.374 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -7.597 -6.302 6.357 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -6.596 -5.162 7.234 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -8.291 -5.091 9.057 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -9.271 -6.251 8.182 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -6.279 -5.738 9.988 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -5.926 -7.445 10.277 1.00 0.00 H new ATOM 1123 N ALA A 74 -9.093 -2.074 7.043 1.00 0.00 N ATOM 1124 CA ALA A 74 -9.024 -0.812 7.770 1.00 0.00 C ATOM 1125 C ALA A 74 -10.273 -0.599 8.619 1.00 0.00 C ATOM 1126 O ALA A 74 -10.940 0.430 8.513 1.00 0.00 O ATOM 1127 CB ALA A 74 -8.840 0.345 6.800 1.00 0.00 C ATOM 0 H ALA A 74 -9.881 -2.148 6.400 1.00 0.00 H new ATOM 0 HA ALA A 74 -8.164 -0.852 8.439 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -8.790 1.281 7.356 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -7.916 0.206 6.239 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -9.682 0.378 6.109 1.00 0.00 H new ATOM 1133 N SER A 75 -10.584 -1.579 9.462 1.00 0.00 N ATOM 1134 CA SER A 75 -11.755 -1.501 10.327 1.00 0.00 C ATOM 1135 C SER A 75 -12.996 -1.116 9.527 1.00 0.00 C ATOM 1136 O SER A 75 -13.734 -0.207 9.906 1.00 0.00 O ATOM 1137 CB SER A 75 -11.521 -0.485 11.447 1.00 0.00 C ATOM 1138 OG SER A 75 -10.300 -0.740 12.119 1.00 0.00 O ATOM 0 H SER A 75 -10.041 -2.436 9.564 1.00 0.00 H new ATOM 0 HA SER A 75 -11.918 -2.485 10.767 1.00 0.00 H new ATOM 0 HB2 SER A 75 -11.508 0.523 11.031 1.00 0.00 H new ATOM 0 HB3 SER A 75 -12.346 -0.526 12.158 1.00 0.00 H new ATOM 0 HG SER A 75 -10.173 -0.076 12.829 1.00 0.00 H new ATOM 1144 N GLU A 76 -13.218 -1.816 8.419 1.00 0.00 N ATOM 1145 CA GLU A 76 -14.369 -1.547 7.565 1.00 0.00 C ATOM 1146 C GLU A 76 -15.283 -2.767 7.483 1.00 0.00 C ATOM 1147 O GLU A 76 -14.824 -3.886 7.259 1.00 0.00 O ATOM 1148 CB GLU A 76 -13.909 -1.147 6.161 1.00 0.00 C ATOM 1149 CG GLU A 76 -13.060 -2.204 5.475 1.00 0.00 C ATOM 1150 CD GLU A 76 -12.166 -1.623 4.396 1.00 0.00 C ATOM 1151 OE1 GLU A 76 -11.413 -0.673 4.695 1.00 0.00 O ATOM 1152 OE2 GLU A 76 -12.220 -2.120 3.251 1.00 0.00 O ATOM 0 H GLU A 76 -12.617 -2.573 8.092 1.00 0.00 H new ATOM 0 HA GLU A 76 -14.930 -0.722 8.005 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -14.785 -0.941 5.546 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -13.339 -0.220 6.225 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -12.444 -2.709 6.219 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -13.712 -2.959 5.035 1.00 0.00 H new ATOM 1159 N GLY A 77 -16.580 -2.541 7.668 1.00 0.00 N ATOM 1160 CA GLY A 77 -17.538 -3.629 7.612 1.00 0.00 C ATOM 1161 C GLY A 77 -18.480 -3.513 6.430 1.00 0.00 C ATOM 1162 O GLY A 77 -18.164 -3.962 5.329 1.00 0.00 O ATOM 0 H GLY A 77 -16.984 -1.624 7.856 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -17.003 -4.577 7.555 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -18.118 -3.646 8.535 1.00 0.00 H new ATOM 1166 N VAL A 78 -19.643 -2.910 6.659 1.00 0.00 N ATOM 1167 CA VAL A 78 -20.634 -2.737 5.605 1.00 0.00 C ATOM 1168 C VAL A 78 -19.974 -2.343 4.288 1.00 0.00 C ATOM 1169 O VAL A 78 -20.281 -2.903 3.236 1.00 0.00 O ATOM 1170 CB VAL A 78 -21.676 -1.667 5.984 1.00 0.00 C ATOM 1171 CG1 VAL A 78 -22.681 -1.477 4.858 1.00 0.00 C ATOM 1172 CG2 VAL A 78 -22.379 -2.044 7.279 1.00 0.00 C ATOM 0 H VAL A 78 -19.921 -2.534 7.565 1.00 0.00 H new ATOM 0 HA VAL A 78 -21.136 -3.697 5.483 1.00 0.00 H new ATOM 0 HB VAL A 78 -21.159 -0.720 6.140 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -23.409 -0.718 5.144 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -22.160 -1.158 3.955 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -23.195 -2.419 4.667 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -23.111 -1.277 7.532 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -22.884 -3.001 7.153 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -21.646 -2.124 8.081 1.00 0.00 H new ATOM 1182 N SER A 79 -19.064 -1.376 4.355 1.00 0.00 N ATOM 1183 CA SER A 79 -18.361 -0.905 3.167 1.00 0.00 C ATOM 1184 C SER A 79 -17.098 -1.724 2.923 1.00 0.00 C ATOM 1185 O SER A 79 -16.000 -1.321 3.307 1.00 0.00 O ATOM 1186 CB SER A 79 -18.003 0.575 3.315 1.00 0.00 C ATOM 1187 OG SER A 79 -19.063 1.404 2.869 1.00 0.00 O ATOM 0 H SER A 79 -18.796 -0.904 5.219 1.00 0.00 H new ATOM 0 HA SER A 79 -19.023 -1.028 2.310 1.00 0.00 H new ATOM 0 HB2 SER A 79 -17.779 0.796 4.359 1.00 0.00 H new ATOM 0 HB3 SER A 79 -17.101 0.793 2.743 1.00 0.00 H new ATOM 0 HG SER A 79 -18.810 2.345 2.976 1.00 0.00 H new ATOM 1193 N MET A 80 -17.262 -2.876 2.281 1.00 0.00 N ATOM 1194 CA MET A 80 -16.134 -3.752 1.984 1.00 0.00 C ATOM 1195 C MET A 80 -16.531 -4.826 0.976 1.00 0.00 C ATOM 1196 O MET A 80 -17.576 -5.462 1.112 1.00 0.00 O ATOM 1197 CB MET A 80 -15.617 -4.406 3.266 1.00 0.00 C ATOM 1198 CG MET A 80 -14.305 -5.152 3.082 1.00 0.00 C ATOM 1199 SD MET A 80 -14.539 -6.819 2.435 1.00 0.00 S ATOM 1200 CE MET A 80 -14.228 -7.798 3.902 1.00 0.00 C ATOM 0 H MET A 80 -18.164 -3.225 1.957 1.00 0.00 H new ATOM 0 HA MET A 80 -15.340 -3.145 1.549 1.00 0.00 H new ATOM 0 HB2 MET A 80 -15.485 -3.638 4.028 1.00 0.00 H new ATOM 0 HB3 MET A 80 -16.370 -5.099 3.640 1.00 0.00 H new ATOM 0 HG2 MET A 80 -13.664 -4.590 2.403 1.00 0.00 H new ATOM 0 HG3 MET A 80 -13.786 -5.207 4.039 1.00 0.00 H new ATOM 0 HE1 MET A 80 -13.409 -8.491 3.710 1.00 0.00 H new ATOM 0 HE2 MET A 80 -13.960 -7.140 4.729 1.00 0.00 H new ATOM 0 HE3 MET A 80 -15.125 -8.360 4.162 1.00 0.00 H new ATOM 1210 N ARG A 81 -15.691 -5.022 -0.035 1.00 0.00 N ATOM 1211 CA ARG A 81 -15.956 -6.018 -1.066 1.00 0.00 C ATOM 1212 C ARG A 81 -14.784 -6.986 -1.201 1.00 0.00 C ATOM 1213 O ARG A 81 -13.815 -6.913 -0.445 1.00 0.00 O ATOM 1214 CB ARG A 81 -16.223 -5.334 -2.409 1.00 0.00 C ATOM 1215 CG ARG A 81 -17.688 -5.004 -2.643 1.00 0.00 C ATOM 1216 CD ARG A 81 -17.849 -3.846 -3.616 1.00 0.00 C ATOM 1217 NE ARG A 81 -17.862 -2.555 -2.933 1.00 0.00 N ATOM 1218 CZ ARG A 81 -18.935 -2.052 -2.333 1.00 0.00 C ATOM 1219 NH1 ARG A 81 -20.075 -2.729 -2.330 1.00 0.00 N ATOM 1220 NH2 ARG A 81 -18.869 -0.871 -1.733 1.00 0.00 N ATOM 0 H ARG A 81 -14.821 -4.504 -0.162 1.00 0.00 H new ATOM 0 HA ARG A 81 -16.840 -6.583 -0.771 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -15.639 -4.415 -2.462 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -15.872 -5.981 -3.213 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -18.202 -5.882 -3.033 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -18.162 -4.752 -1.694 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -17.034 -3.865 -4.340 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -18.776 -3.969 -4.176 1.00 0.00 H new ATOM 0 HE ARG A 81 -17.000 -2.010 -2.916 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -20.129 -3.638 -2.789 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -20.898 -2.341 -1.869 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -17.993 -0.348 -1.732 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -19.694 -0.486 -1.273 1.00 0.00 H new ATOM 1234 N PHE A 82 -14.881 -7.893 -2.167 1.00 0.00 N ATOM 1235 CA PHE A 82 -13.830 -8.877 -2.400 1.00 0.00 C ATOM 1236 C PHE A 82 -13.531 -9.011 -3.890 1.00 0.00 C ATOM 1237 O PHE A 82 -14.380 -9.447 -4.668 1.00 0.00 O ATOM 1238 CB PHE A 82 -14.237 -10.235 -1.825 1.00 0.00 C ATOM 1239 CG PHE A 82 -14.800 -10.153 -0.435 1.00 0.00 C ATOM 1240 CD1 PHE A 82 -16.136 -9.845 -0.231 1.00 0.00 C ATOM 1241 CD2 PHE A 82 -13.994 -10.384 0.668 1.00 0.00 C ATOM 1242 CE1 PHE A 82 -16.656 -9.769 1.047 1.00 0.00 C ATOM 1243 CE2 PHE A 82 -14.508 -10.309 1.948 1.00 0.00 C ATOM 1244 CZ PHE A 82 -15.841 -10.002 2.138 1.00 0.00 C ATOM 0 H PHE A 82 -15.676 -7.967 -2.801 1.00 0.00 H new ATOM 0 HA PHE A 82 -12.927 -8.533 -1.896 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -14.977 -10.692 -2.482 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -13.368 -10.893 -1.818 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -16.778 -9.662 -1.080 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -12.951 -10.626 0.525 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -17.699 -9.528 1.193 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -13.868 -10.490 2.799 1.00 0.00 H new ATOM 0 HZ PHE A 82 -16.246 -9.944 3.138 1.00 0.00 H new ATOM 1254 N PHE A 83 -12.318 -8.633 -4.281 1.00 0.00 N ATOM 1255 CA PHE A 83 -11.907 -8.710 -5.678 1.00 0.00 C ATOM 1256 C PHE A 83 -10.795 -9.739 -5.862 1.00 0.00 C ATOM 1257 O PHE A 83 -9.887 -9.844 -5.037 1.00 0.00 O ATOM 1258 CB PHE A 83 -11.435 -7.340 -6.168 1.00 0.00 C ATOM 1259 CG PHE A 83 -12.309 -6.206 -5.713 1.00 0.00 C ATOM 1260 CD1 PHE A 83 -12.269 -5.768 -4.399 1.00 0.00 C ATOM 1261 CD2 PHE A 83 -13.170 -5.579 -6.598 1.00 0.00 C ATOM 1262 CE1 PHE A 83 -13.071 -4.725 -3.976 1.00 0.00 C ATOM 1263 CE2 PHE A 83 -13.975 -4.535 -6.182 1.00 0.00 C ATOM 1264 CZ PHE A 83 -13.926 -4.108 -4.869 1.00 0.00 C ATOM 0 H PHE A 83 -11.603 -8.271 -3.650 1.00 0.00 H new ATOM 0 HA PHE A 83 -12.769 -9.023 -6.268 1.00 0.00 H new ATOM 0 HB2 PHE A 83 -10.418 -7.168 -5.816 1.00 0.00 H new ATOM 0 HB3 PHE A 83 -11.399 -7.346 -7.257 1.00 0.00 H new ATOM 0 HD1 PHE A 83 -11.603 -6.247 -3.697 1.00 0.00 H new ATOM 0 HD2 PHE A 83 -13.213 -5.910 -7.625 1.00 0.00 H new ATOM 0 HE1 PHE A 83 -13.030 -4.393 -2.949 1.00 0.00 H new ATOM 0 HE2 PHE A 83 -14.641 -4.054 -6.883 1.00 0.00 H new ATOM 0 HZ PHE A 83 -14.555 -3.293 -4.541 1.00 0.00 H new ATOM 1274 N THR A 84 -10.874 -10.498 -6.951 1.00 0.00 N ATOM 1275 CA THR A 84 -9.877 -11.520 -7.243 1.00 0.00 C ATOM 1276 C THR A 84 -8.519 -10.895 -7.539 1.00 0.00 C ATOM 1277 O THR A 84 -7.535 -11.166 -6.850 1.00 0.00 O ATOM 1278 CB THR A 84 -10.300 -12.391 -8.441 1.00 0.00 C ATOM 1279 OG1 THR A 84 -11.725 -12.536 -8.463 1.00 0.00 O ATOM 1280 CG2 THR A 84 -9.646 -13.763 -8.371 1.00 0.00 C ATOM 0 H THR A 84 -11.618 -10.424 -7.645 1.00 0.00 H new ATOM 0 HA THR A 84 -9.799 -12.148 -6.355 1.00 0.00 H new ATOM 0 HB THR A 84 -9.972 -11.896 -9.355 1.00 0.00 H new ATOM 0 HG1 THR A 84 -11.986 -13.090 -9.229 1.00 0.00 H new ATOM 0 HG21 THR A 84 -9.960 -14.360 -9.227 1.00 0.00 H new ATOM 0 HG22 THR A 84 -8.562 -13.650 -8.385 1.00 0.00 H new ATOM 0 HG23 THR A 84 -9.947 -14.263 -7.450 1.00 0.00 H new ATOM 1288 N LYS A 85 -8.470 -10.055 -8.567 1.00 0.00 N ATOM 1289 CA LYS A 85 -7.233 -9.388 -8.954 1.00 0.00 C ATOM 1290 C LYS A 85 -6.950 -8.196 -8.044 1.00 0.00 C ATOM 1291 O LYS A 85 -7.851 -7.421 -7.722 1.00 0.00 O ATOM 1292 CB LYS A 85 -7.312 -8.924 -10.410 1.00 0.00 C ATOM 1293 CG LYS A 85 -7.947 -9.944 -11.339 1.00 0.00 C ATOM 1294 CD LYS A 85 -6.929 -10.956 -11.836 1.00 0.00 C ATOM 1295 CE LYS A 85 -7.605 -12.166 -12.463 1.00 0.00 C ATOM 1296 NZ LYS A 85 -8.365 -12.959 -11.458 1.00 0.00 N ATOM 0 H LYS A 85 -9.275 -9.820 -9.148 1.00 0.00 H new ATOM 0 HA LYS A 85 -6.417 -10.103 -8.852 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -7.883 -7.997 -10.457 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -6.307 -8.697 -10.765 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -8.751 -10.462 -10.817 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -8.397 -9.432 -12.189 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -6.273 -10.484 -12.568 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -6.300 -11.279 -11.006 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -8.281 -11.836 -13.252 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -6.853 -12.800 -12.932 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -8.477 -13.935 -11.799 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -7.847 -12.965 -10.556 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -9.303 -12.532 -11.316 1.00 0.00 H new ATOM 1310 N LEU A 86 -5.694 -8.055 -7.636 1.00 0.00 N ATOM 1311 CA LEU A 86 -5.291 -6.956 -6.765 1.00 0.00 C ATOM 1312 C LEU A 86 -5.662 -5.611 -7.379 1.00 0.00 C ATOM 1313 O LEU A 86 -6.053 -4.681 -6.672 1.00 0.00 O ATOM 1314 CB LEU A 86 -3.785 -7.012 -6.502 1.00 0.00 C ATOM 1315 CG LEU A 86 -3.315 -6.442 -5.164 1.00 0.00 C ATOM 1316 CD1 LEU A 86 -3.842 -5.028 -4.972 1.00 0.00 C ATOM 1317 CD2 LEU A 86 -3.759 -7.339 -4.017 1.00 0.00 C ATOM 0 H LEU A 86 -4.937 -8.688 -7.894 1.00 0.00 H new ATOM 0 HA LEU A 86 -5.822 -7.062 -5.819 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -3.464 -8.052 -6.564 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -3.277 -6.474 -7.302 1.00 0.00 H new ATOM 0 HG LEU A 86 -2.226 -6.404 -5.169 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -3.497 -4.638 -4.014 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -3.475 -4.391 -5.776 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -4.932 -5.041 -4.988 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -3.416 -6.918 -3.072 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -4.847 -7.408 -4.010 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -3.333 -8.334 -4.147 1.00 0.00 H new ATOM 1329 N ASP A 87 -5.540 -5.514 -8.698 1.00 0.00 N ATOM 1330 CA ASP A 87 -5.865 -4.283 -9.409 1.00 0.00 C ATOM 1331 C ASP A 87 -7.356 -3.976 -9.308 1.00 0.00 C ATOM 1332 O ASP A 87 -7.747 -2.884 -8.895 1.00 0.00 O ATOM 1333 CB ASP A 87 -5.452 -4.392 -10.877 1.00 0.00 C ATOM 1334 CG ASP A 87 -5.570 -5.808 -11.408 1.00 0.00 C ATOM 1335 OD1 ASP A 87 -4.772 -6.669 -10.983 1.00 0.00 O ATOM 1336 OD2 ASP A 87 -6.460 -6.054 -12.248 1.00 0.00 O ATOM 0 H ASP A 87 -5.218 -6.274 -9.297 1.00 0.00 H new ATOM 0 HA ASP A 87 -5.312 -3.467 -8.945 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -6.075 -3.729 -11.477 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -4.423 -4.050 -10.988 1.00 0.00 H new ATOM 1341 N GLN A 88 -8.182 -4.945 -9.689 1.00 0.00 N ATOM 1342 CA GLN A 88 -9.630 -4.776 -9.643 1.00 0.00 C ATOM 1343 C GLN A 88 -10.054 -4.061 -8.364 1.00 0.00 C ATOM 1344 O GLN A 88 -11.075 -3.373 -8.335 1.00 0.00 O ATOM 1345 CB GLN A 88 -10.326 -6.135 -9.736 1.00 0.00 C ATOM 1346 CG GLN A 88 -10.167 -6.808 -11.089 1.00 0.00 C ATOM 1347 CD GLN A 88 -11.254 -6.411 -12.069 1.00 0.00 C ATOM 1348 OE1 GLN A 88 -11.422 -5.233 -12.384 1.00 0.00 O ATOM 1349 NE2 GLN A 88 -11.999 -7.396 -12.559 1.00 0.00 N ATOM 0 H GLN A 88 -7.874 -5.855 -10.033 1.00 0.00 H new ATOM 0 HA GLN A 88 -9.927 -4.164 -10.495 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -9.927 -6.792 -8.963 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -11.388 -6.005 -9.527 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -9.194 -6.550 -11.507 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -10.180 -7.890 -10.956 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -11.825 -8.359 -12.271 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -12.745 -7.189 -13.224 1.00 0.00 H new ATOM 1358 N LEU A 89 -9.264 -4.227 -7.309 1.00 0.00 N ATOM 1359 CA LEU A 89 -9.558 -3.597 -6.026 1.00 0.00 C ATOM 1360 C LEU A 89 -9.021 -2.170 -5.985 1.00 0.00 C ATOM 1361 O LEU A 89 -9.775 -1.219 -5.775 1.00 0.00 O ATOM 1362 CB LEU A 89 -8.953 -4.415 -4.884 1.00 0.00 C ATOM 1363 CG LEU A 89 -9.250 -3.915 -3.470 1.00 0.00 C ATOM 1364 CD1 LEU A 89 -9.211 -5.066 -2.477 1.00 0.00 C ATOM 1365 CD2 LEU A 89 -8.261 -2.830 -3.070 1.00 0.00 C ATOM 0 H LEU A 89 -8.415 -4.792 -7.316 1.00 0.00 H new ATOM 0 HA LEU A 89 -10.641 -3.562 -5.905 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -9.313 -5.441 -4.968 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -7.872 -4.444 -5.018 1.00 0.00 H new ATOM 0 HG LEU A 89 -10.253 -3.488 -3.460 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -9.425 -4.691 -1.476 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -9.958 -5.810 -2.753 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -8.222 -5.524 -2.489 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -8.487 -2.486 -2.061 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -7.248 -3.233 -3.098 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -8.338 -1.994 -3.765 1.00 0.00 H new ATOM 1377 N ILE A 90 -7.716 -2.028 -6.188 1.00 0.00 N ATOM 1378 CA ILE A 90 -7.080 -0.717 -6.178 1.00 0.00 C ATOM 1379 C ILE A 90 -7.829 0.265 -7.072 1.00 0.00 C ATOM 1380 O ILE A 90 -8.060 1.412 -6.693 1.00 0.00 O ATOM 1381 CB ILE A 90 -5.613 -0.799 -6.640 1.00 0.00 C ATOM 1382 CG1 ILE A 90 -4.827 -1.762 -5.748 1.00 0.00 C ATOM 1383 CG2 ILE A 90 -4.976 0.582 -6.628 1.00 0.00 C ATOM 1384 CD1 ILE A 90 -4.771 -1.333 -4.298 1.00 0.00 C ATOM 0 H ILE A 90 -7.078 -2.805 -6.361 1.00 0.00 H new ATOM 0 HA ILE A 90 -7.109 -0.361 -5.148 1.00 0.00 H new ATOM 0 HB ILE A 90 -5.590 -1.179 -7.661 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -5.279 -2.752 -5.808 1.00 0.00 H new ATOM 0 HG13 ILE A 90 -3.811 -1.852 -6.131 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -3.939 0.507 -6.957 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -5.524 1.241 -7.301 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -5.008 0.988 -5.617 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -4.198 -2.062 -3.725 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -4.291 -0.357 -4.226 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -5.783 -1.271 -3.898 1.00 0.00 H new ATOM 1396 N GLU A 91 -8.206 -0.195 -8.261 1.00 0.00 N ATOM 1397 CA GLU A 91 -8.930 0.643 -9.209 1.00 0.00 C ATOM 1398 C GLU A 91 -10.216 1.181 -8.588 1.00 0.00 C ATOM 1399 O GLU A 91 -10.459 2.388 -8.583 1.00 0.00 O ATOM 1400 CB GLU A 91 -9.256 -0.148 -10.478 1.00 0.00 C ATOM 1401 CG GLU A 91 -8.025 -0.614 -11.237 1.00 0.00 C ATOM 1402 CD GLU A 91 -7.007 0.492 -11.433 1.00 0.00 C ATOM 1403 OE1 GLU A 91 -6.371 0.897 -10.438 1.00 0.00 O ATOM 1404 OE2 GLU A 91 -6.846 0.953 -12.583 1.00 0.00 O ATOM 0 H GLU A 91 -8.022 -1.143 -8.590 1.00 0.00 H new ATOM 0 HA GLU A 91 -8.292 1.487 -9.469 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -9.858 -1.016 -10.210 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -9.865 0.472 -11.136 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -7.560 -1.439 -10.697 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -8.328 -1.001 -12.210 1.00 0.00 H new ATOM 1411 N PHE A 92 -11.037 0.277 -8.064 1.00 0.00 N ATOM 1412 CA PHE A 92 -12.299 0.659 -7.442 1.00 0.00 C ATOM 1413 C PHE A 92 -12.073 1.703 -6.352 1.00 0.00 C ATOM 1414 O PHE A 92 -12.910 2.579 -6.133 1.00 0.00 O ATOM 1415 CB PHE A 92 -12.993 -0.570 -6.851 1.00 0.00 C ATOM 1416 CG PHE A 92 -14.067 -0.231 -5.857 1.00 0.00 C ATOM 1417 CD1 PHE A 92 -15.190 0.482 -6.245 1.00 0.00 C ATOM 1418 CD2 PHE A 92 -13.954 -0.626 -4.533 1.00 0.00 C ATOM 1419 CE1 PHE A 92 -16.180 0.795 -5.333 1.00 0.00 C ATOM 1420 CE2 PHE A 92 -14.941 -0.317 -3.617 1.00 0.00 C ATOM 1421 CZ PHE A 92 -16.054 0.396 -4.017 1.00 0.00 C ATOM 0 H PHE A 92 -10.851 -0.726 -8.058 1.00 0.00 H new ATOM 0 HA PHE A 92 -12.938 1.094 -8.211 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -13.430 -1.155 -7.660 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -12.247 -1.201 -6.367 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -15.293 0.797 -7.273 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -13.085 -1.182 -4.214 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -17.051 1.351 -5.649 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -14.842 -0.633 -2.589 1.00 0.00 H new ATOM 0 HZ PHE A 92 -16.825 0.641 -3.301 1.00 0.00 H new ATOM 1431 N TYR A 93 -10.937 1.601 -5.671 1.00 0.00 N ATOM 1432 CA TYR A 93 -10.602 2.534 -4.601 1.00 0.00 C ATOM 1433 C TYR A 93 -10.249 3.907 -5.166 1.00 0.00 C ATOM 1434 O TYR A 93 -10.443 4.930 -4.510 1.00 0.00 O ATOM 1435 CB TYR A 93 -9.434 1.995 -3.774 1.00 0.00 C ATOM 1436 CG TYR A 93 -9.864 1.138 -2.605 1.00 0.00 C ATOM 1437 CD1 TYR A 93 -10.429 -0.115 -2.807 1.00 0.00 C ATOM 1438 CD2 TYR A 93 -9.706 1.581 -1.297 1.00 0.00 C ATOM 1439 CE1 TYR A 93 -10.825 -0.901 -1.742 1.00 0.00 C ATOM 1440 CE2 TYR A 93 -10.097 0.801 -0.226 1.00 0.00 C ATOM 1441 CZ TYR A 93 -10.657 -0.439 -0.454 1.00 0.00 C ATOM 1442 OH TYR A 93 -11.048 -1.219 0.610 1.00 0.00 O ATOM 0 H TYR A 93 -10.233 0.883 -5.840 1.00 0.00 H new ATOM 0 HA TYR A 93 -11.476 2.640 -3.958 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -8.781 1.410 -4.422 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -8.846 2.834 -3.402 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -10.561 -0.481 -3.814 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -9.270 2.552 -1.115 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -11.264 -1.872 -1.918 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -9.965 1.160 0.784 1.00 0.00 H new ATOM 0 HH TYR A 93 -10.965 -2.165 0.370 1.00 0.00 H new ATOM 1452 N LYS A 94 -9.729 3.920 -6.388 1.00 0.00 N ATOM 1453 CA LYS A 94 -9.349 5.165 -7.045 1.00 0.00 C ATOM 1454 C LYS A 94 -10.405 6.243 -6.821 1.00 0.00 C ATOM 1455 O LYS A 94 -10.080 7.410 -6.603 1.00 0.00 O ATOM 1456 CB LYS A 94 -9.151 4.935 -8.545 1.00 0.00 C ATOM 1457 CG LYS A 94 -8.106 3.879 -8.866 1.00 0.00 C ATOM 1458 CD LYS A 94 -6.697 4.422 -8.702 1.00 0.00 C ATOM 1459 CE LYS A 94 -5.694 3.626 -9.523 1.00 0.00 C ATOM 1460 NZ LYS A 94 -4.538 4.461 -9.949 1.00 0.00 N ATOM 0 H LYS A 94 -9.561 3.082 -6.944 1.00 0.00 H new ATOM 0 HA LYS A 94 -8.410 5.504 -6.608 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -10.102 4.639 -8.987 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -8.861 5.876 -9.013 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -8.244 3.018 -8.211 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -8.245 3.527 -9.888 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -6.671 5.468 -9.008 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -6.414 4.391 -7.650 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -5.334 2.781 -8.936 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -6.189 3.216 -10.403 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -3.878 3.882 -10.506 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -4.878 5.254 -10.530 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -4.049 4.832 -9.109 1.00 0.00 H new ATOM 1474 N LYS A 95 -11.671 5.843 -6.875 1.00 0.00 N ATOM 1475 CA LYS A 95 -12.776 6.774 -6.675 1.00 0.00 C ATOM 1476 C LYS A 95 -12.769 7.330 -5.254 1.00 0.00 C ATOM 1477 O LYS A 95 -12.413 6.630 -4.307 1.00 0.00 O ATOM 1478 CB LYS A 95 -14.111 6.080 -6.956 1.00 0.00 C ATOM 1479 CG LYS A 95 -14.538 6.148 -8.412 1.00 0.00 C ATOM 1480 CD LYS A 95 -15.970 5.675 -8.596 1.00 0.00 C ATOM 1481 CE LYS A 95 -16.412 5.788 -10.047 1.00 0.00 C ATOM 1482 NZ LYS A 95 -16.022 4.589 -10.841 1.00 0.00 N ATOM 0 H LYS A 95 -11.957 4.881 -7.055 1.00 0.00 H new ATOM 0 HA LYS A 95 -12.650 7.603 -7.371 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -14.037 5.035 -6.656 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -14.885 6.535 -6.338 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -14.443 7.172 -8.772 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -13.871 5.534 -9.017 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -16.057 4.639 -8.268 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -16.634 6.266 -7.965 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -17.494 5.915 -10.088 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -15.970 6.679 -10.493 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -16.341 4.705 -11.824 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -14.988 4.482 -10.823 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -16.465 3.742 -10.431 1.00 0.00 H new ATOM 1496 N GLU A 96 -13.167 8.591 -5.115 1.00 0.00 N ATOM 1497 CA GLU A 96 -13.206 9.239 -3.809 1.00 0.00 C ATOM 1498 C GLU A 96 -13.868 8.335 -2.773 1.00 0.00 C ATOM 1499 O GLU A 96 -14.929 7.763 -3.020 1.00 0.00 O ATOM 1500 CB GLU A 96 -13.959 10.568 -3.898 1.00 0.00 C ATOM 1501 CG GLU A 96 -15.464 10.407 -4.031 1.00 0.00 C ATOM 1502 CD GLU A 96 -16.108 11.553 -4.788 1.00 0.00 C ATOM 1503 OE1 GLU A 96 -15.976 11.593 -6.029 1.00 0.00 O ATOM 1504 OE2 GLU A 96 -16.744 12.409 -4.138 1.00 0.00 O ATOM 0 H GLU A 96 -13.467 9.183 -5.889 1.00 0.00 H new ATOM 0 HA GLU A 96 -12.180 9.431 -3.495 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -13.743 11.159 -3.008 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -13.585 11.131 -4.753 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -15.682 9.470 -4.544 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -15.908 10.338 -3.038 1.00 0.00 H new ATOM 1511 N ASN A 97 -13.232 8.211 -1.613 1.00 0.00 N ATOM 1512 CA ASN A 97 -13.757 7.376 -0.539 1.00 0.00 C ATOM 1513 C ASN A 97 -13.227 7.835 0.816 1.00 0.00 C ATOM 1514 O ASN A 97 -12.020 7.833 1.055 1.00 0.00 O ATOM 1515 CB ASN A 97 -13.385 5.910 -0.775 1.00 0.00 C ATOM 1516 CG ASN A 97 -14.255 4.957 0.021 1.00 0.00 C ATOM 1517 OD1 ASN A 97 -13.822 4.397 1.028 1.00 0.00 O ATOM 1518 ND2 ASN A 97 -15.490 4.768 -0.430 1.00 0.00 N ATOM 0 H ASN A 97 -12.352 8.678 -1.393 1.00 0.00 H new ATOM 0 HA ASN A 97 -14.843 7.472 -0.536 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -13.477 5.681 -1.837 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -12.340 5.755 -0.505 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -16.122 4.137 0.063 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -15.806 5.254 -1.269 1.00 0.00 H new ATOM 1525 N MET A 98 -14.139 8.227 1.700 1.00 0.00 N ATOM 1526 CA MET A 98 -13.764 8.687 3.032 1.00 0.00 C ATOM 1527 C MET A 98 -12.758 7.735 3.672 1.00 0.00 C ATOM 1528 O MET A 98 -11.888 8.157 4.433 1.00 0.00 O ATOM 1529 CB MET A 98 -15.003 8.811 3.920 1.00 0.00 C ATOM 1530 CG MET A 98 -14.680 9.099 5.377 1.00 0.00 C ATOM 1531 SD MET A 98 -14.349 7.601 6.325 1.00 0.00 S ATOM 1532 CE MET A 98 -13.329 8.253 7.645 1.00 0.00 C ATOM 0 H MET A 98 -15.143 8.235 1.518 1.00 0.00 H new ATOM 0 HA MET A 98 -13.298 9.667 2.933 1.00 0.00 H new ATOM 0 HB2 MET A 98 -15.639 9.607 3.533 1.00 0.00 H new ATOM 0 HB3 MET A 98 -15.577 7.887 3.860 1.00 0.00 H new ATOM 0 HG2 MET A 98 -13.812 9.757 5.430 1.00 0.00 H new ATOM 0 HG3 MET A 98 -15.514 9.635 5.831 1.00 0.00 H new ATOM 0 HE1 MET A 98 -13.043 7.444 8.317 1.00 0.00 H new ATOM 0 HE2 MET A 98 -12.433 8.708 7.222 1.00 0.00 H new ATOM 0 HE3 MET A 98 -13.890 9.005 8.200 1.00 0.00 H new ATOM 1542 N GLY A 99 -12.885 6.449 3.360 1.00 0.00 N ATOM 1543 CA GLY A 99 -11.980 5.459 3.914 1.00 0.00 C ATOM 1544 C GLY A 99 -10.542 5.937 3.940 1.00 0.00 C ATOM 1545 O GLY A 99 -10.117 6.598 4.888 1.00 0.00 O ATOM 0 H GLY A 99 -13.598 6.075 2.734 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -12.295 5.210 4.927 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -12.045 4.543 3.326 1.00 0.00 H new ATOM 1549 N LEU A 100 -9.790 5.601 2.897 1.00 0.00 N ATOM 1550 CA LEU A 100 -8.390 5.999 2.804 1.00 0.00 C ATOM 1551 C LEU A 100 -8.220 7.477 3.141 1.00 0.00 C ATOM 1552 O LEU A 100 -9.180 8.248 3.101 1.00 0.00 O ATOM 1553 CB LEU A 100 -7.852 5.719 1.400 1.00 0.00 C ATOM 1554 CG LEU A 100 -7.948 4.270 0.921 1.00 0.00 C ATOM 1555 CD1 LEU A 100 -7.313 4.119 -0.453 1.00 0.00 C ATOM 1556 CD2 LEU A 100 -7.289 3.332 1.922 1.00 0.00 C ATOM 0 H LEU A 100 -10.127 5.054 2.104 1.00 0.00 H new ATOM 0 HA LEU A 100 -7.823 5.413 3.527 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -8.391 6.351 0.694 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -6.806 6.023 1.366 1.00 0.00 H new ATOM 0 HG LEU A 100 -9.002 4.002 0.843 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -7.391 3.081 -0.778 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -7.830 4.762 -1.165 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -6.263 4.405 -0.402 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -7.367 2.305 1.564 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -6.238 3.599 2.033 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -7.789 3.419 2.886 1.00 0.00 H new ATOM 1568 N VAL A 101 -6.993 7.867 3.470 1.00 0.00 N ATOM 1569 CA VAL A 101 -6.696 9.253 3.810 1.00 0.00 C ATOM 1570 C VAL A 101 -6.955 10.177 2.625 1.00 0.00 C ATOM 1571 O VAL A 101 -7.450 11.293 2.789 1.00 0.00 O ATOM 1572 CB VAL A 101 -5.235 9.419 4.267 1.00 0.00 C ATOM 1573 CG1 VAL A 101 -4.281 8.883 3.210 1.00 0.00 C ATOM 1574 CG2 VAL A 101 -4.936 10.878 4.575 1.00 0.00 C ATOM 0 H VAL A 101 -6.188 7.242 3.508 1.00 0.00 H new ATOM 0 HA VAL A 101 -7.358 9.526 4.632 1.00 0.00 H new ATOM 0 HB VAL A 101 -5.090 8.841 5.180 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -3.253 9.009 3.550 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -4.481 7.825 3.043 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -4.425 9.431 2.279 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -3.899 10.977 4.896 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -5.097 11.479 3.680 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -5.597 11.225 5.369 1.00 0.00 H new ATOM 1584 N THR A 102 -6.617 9.705 1.429 1.00 0.00 N ATOM 1585 CA THR A 102 -6.812 10.488 0.215 1.00 0.00 C ATOM 1586 C THR A 102 -7.028 9.585 -0.993 1.00 0.00 C ATOM 1587 O THR A 102 -6.441 8.506 -1.088 1.00 0.00 O ATOM 1588 CB THR A 102 -5.609 11.412 -0.056 1.00 0.00 C ATOM 1589 OG1 THR A 102 -5.850 12.199 -1.228 1.00 0.00 O ATOM 1590 CG2 THR A 102 -4.334 10.601 -0.238 1.00 0.00 C ATOM 0 H THR A 102 -6.207 8.784 1.275 1.00 0.00 H new ATOM 0 HA THR A 102 -7.701 11.098 0.371 1.00 0.00 H new ATOM 0 HB THR A 102 -5.483 12.070 0.804 1.00 0.00 H new ATOM 0 HG1 THR A 102 -5.082 12.785 -1.392 1.00 0.00 H new ATOM 0 HG21 THR A 102 -3.498 11.275 -0.428 1.00 0.00 H new ATOM 0 HG22 THR A 102 -4.137 10.025 0.666 1.00 0.00 H new ATOM 0 HG23 THR A 102 -4.452 9.922 -1.082 1.00 0.00 H new ATOM 1598 N HIS A 103 -7.873 10.032 -1.917 1.00 0.00 N ATOM 1599 CA HIS A 103 -8.165 9.264 -3.122 1.00 0.00 C ATOM 1600 C HIS A 103 -6.914 9.103 -3.980 1.00 0.00 C ATOM 1601 O HIS A 103 -6.236 10.081 -4.298 1.00 0.00 O ATOM 1602 CB HIS A 103 -9.269 9.945 -3.931 1.00 0.00 C ATOM 1603 CG HIS A 103 -9.070 11.420 -4.093 1.00 0.00 C ATOM 1604 ND1 HIS A 103 -7.942 11.969 -4.667 1.00 0.00 N ATOM 1605 CD2 HIS A 103 -9.863 12.463 -3.754 1.00 0.00 C ATOM 1606 CE1 HIS A 103 -8.050 13.285 -4.673 1.00 0.00 C ATOM 1607 NE2 HIS A 103 -9.207 13.611 -4.124 1.00 0.00 N ATOM 0 H HIS A 103 -8.367 10.922 -1.854 1.00 0.00 H new ATOM 0 HA HIS A 103 -8.506 8.274 -2.819 1.00 0.00 H new ATOM 0 HB2 HIS A 103 -9.323 9.484 -4.917 1.00 0.00 H new ATOM 0 HB3 HIS A 103 -10.228 9.767 -3.443 1.00 0.00 H new ATOM 0 HD1 HIS A 103 -7.149 11.441 -5.030 1.00 0.00 H new ATOM 0 HD2 HIS A 103 -10.832 12.403 -3.280 1.00 0.00 H new ATOM 0 HE1 HIS A 103 -7.317 13.977 -5.061 1.00 0.00 H new ATOM 1616 N LEU A 104 -6.614 7.863 -4.353 1.00 0.00 N ATOM 1617 CA LEU A 104 -5.443 7.574 -5.174 1.00 0.00 C ATOM 1618 C LEU A 104 -5.372 8.517 -6.371 1.00 0.00 C ATOM 1619 O LEU A 104 -6.382 8.794 -7.016 1.00 0.00 O ATOM 1620 CB LEU A 104 -5.480 6.122 -5.655 1.00 0.00 C ATOM 1621 CG LEU A 104 -5.782 5.069 -4.589 1.00 0.00 C ATOM 1622 CD1 LEU A 104 -5.583 3.669 -5.149 1.00 0.00 C ATOM 1623 CD2 LEU A 104 -4.906 5.285 -3.363 1.00 0.00 C ATOM 0 H LEU A 104 -7.165 7.043 -4.100 1.00 0.00 H new ATOM 0 HA LEU A 104 -4.553 7.725 -4.563 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -6.231 6.040 -6.441 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -4.517 5.886 -6.108 1.00 0.00 H new ATOM 0 HG LEU A 104 -6.825 5.172 -4.289 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -5.803 2.933 -4.376 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -6.253 3.517 -5.995 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -4.550 3.552 -5.478 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -5.134 4.526 -2.614 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -3.857 5.209 -3.648 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -5.099 6.274 -2.948 1.00 0.00 H new ATOM 1635 N GLN A 105 -4.170 9.004 -6.662 1.00 0.00 N ATOM 1636 CA GLN A 105 -3.967 9.915 -7.783 1.00 0.00 C ATOM 1637 C GLN A 105 -2.757 9.496 -8.612 1.00 0.00 C ATOM 1638 O GLN A 105 -2.878 9.206 -9.803 1.00 0.00 O ATOM 1639 CB GLN A 105 -3.782 11.347 -7.277 1.00 0.00 C ATOM 1640 CG GLN A 105 -5.026 11.926 -6.624 1.00 0.00 C ATOM 1641 CD GLN A 105 -4.937 13.427 -6.427 1.00 0.00 C ATOM 1642 OE1 GLN A 105 -4.077 13.854 -5.510 1.00 0.00 O flip ATOM 1643 NE2 GLN A 105 -5.633 14.195 -7.093 1.00 0.00 N flip ATOM 0 H GLN A 105 -3.323 8.784 -6.138 1.00 0.00 H new ATOM 0 HA GLN A 105 -4.852 9.873 -8.418 1.00 0.00 H new ATOM 0 HB2 GLN A 105 -2.962 11.367 -6.559 1.00 0.00 H new ATOM 0 HB3 GLN A 105 -3.490 11.984 -8.112 1.00 0.00 H new ATOM 0 HG2 GLN A 105 -5.896 11.695 -7.239 1.00 0.00 H new ATOM 0 HG3 GLN A 105 -5.182 11.445 -5.658 1.00 0.00 H new ATOM 0 HE21 GLN A 105 -6.281 13.823 -7.788 1.00 0.00 H new ATOM 0 HE22 GLN A 105 -5.561 15.202 -6.950 1.00 0.00 H new ATOM 1652 N TYR A 106 -1.592 9.467 -7.976 1.00 0.00 N ATOM 1653 CA TYR A 106 -0.359 9.086 -8.656 1.00 0.00 C ATOM 1654 C TYR A 106 0.223 7.810 -8.055 1.00 0.00 C ATOM 1655 O TYR A 106 0.936 7.834 -7.052 1.00 0.00 O ATOM 1656 CB TYR A 106 0.667 10.217 -8.569 1.00 0.00 C ATOM 1657 CG TYR A 106 0.046 11.595 -8.527 1.00 0.00 C ATOM 1658 CD1 TYR A 106 -0.903 11.980 -9.466 1.00 0.00 C ATOM 1659 CD2 TYR A 106 0.408 12.513 -7.548 1.00 0.00 C ATOM 1660 CE1 TYR A 106 -1.472 13.238 -9.433 1.00 0.00 C ATOM 1661 CE2 TYR A 106 -0.157 13.773 -7.506 1.00 0.00 C ATOM 1662 CZ TYR A 106 -1.096 14.131 -8.451 1.00 0.00 C ATOM 1663 OH TYR A 106 -1.662 15.385 -8.413 1.00 0.00 O ATOM 0 H TYR A 106 -1.475 9.703 -6.991 1.00 0.00 H new ATOM 0 HA TYR A 106 -0.595 8.898 -9.703 1.00 0.00 H new ATOM 0 HB2 TYR A 106 1.277 10.075 -7.677 1.00 0.00 H new ATOM 0 HB3 TYR A 106 1.337 10.155 -9.427 1.00 0.00 H new ATOM 0 HD1 TYR A 106 -1.201 11.283 -10.235 1.00 0.00 H new ATOM 0 HD2 TYR A 106 1.144 12.236 -6.807 1.00 0.00 H new ATOM 0 HE1 TYR A 106 -2.207 13.521 -10.172 1.00 0.00 H new ATOM 0 HE2 TYR A 106 0.135 14.474 -6.738 1.00 0.00 H new ATOM 0 HH TYR A 106 -1.289 15.889 -7.660 1.00 0.00 H new ATOM 1673 N PRO A 107 -0.089 6.666 -8.683 1.00 0.00 N ATOM 1674 CA PRO A 107 0.393 5.358 -8.230 1.00 0.00 C ATOM 1675 C PRO A 107 1.892 5.184 -8.449 1.00 0.00 C ATOM 1676 O PRO A 107 2.324 4.667 -9.479 1.00 0.00 O ATOM 1677 CB PRO A 107 -0.392 4.371 -9.098 1.00 0.00 C ATOM 1678 CG PRO A 107 -0.737 5.139 -10.327 1.00 0.00 C ATOM 1679 CD PRO A 107 -0.934 6.562 -9.884 1.00 0.00 C ATOM 0 HA PRO A 107 0.244 5.218 -7.159 1.00 0.00 H new ATOM 0 HB2 PRO A 107 0.205 3.491 -9.336 1.00 0.00 H new ATOM 0 HB3 PRO A 107 -1.288 4.019 -8.586 1.00 0.00 H new ATOM 0 HG2 PRO A 107 0.059 5.068 -11.068 1.00 0.00 H new ATOM 0 HG3 PRO A 107 -1.641 4.746 -10.792 1.00 0.00 H new ATOM 0 HD2 PRO A 107 -0.626 7.269 -10.654 1.00 0.00 H new ATOM 0 HD3 PRO A 107 -1.980 6.772 -9.659 1.00 0.00 H new ATOM 1687 N VAL A 108 2.682 5.620 -7.473 1.00 0.00 N ATOM 1688 CA VAL A 108 4.134 5.511 -7.558 1.00 0.00 C ATOM 1689 C VAL A 108 4.548 4.238 -8.287 1.00 0.00 C ATOM 1690 O VAL A 108 4.170 3.128 -7.912 1.00 0.00 O ATOM 1691 CB VAL A 108 4.780 5.523 -6.160 1.00 0.00 C ATOM 1692 CG1 VAL A 108 6.297 5.522 -6.273 1.00 0.00 C ATOM 1693 CG2 VAL A 108 4.298 6.724 -5.360 1.00 0.00 C ATOM 0 H VAL A 108 2.341 6.052 -6.614 1.00 0.00 H new ATOM 0 HA VAL A 108 4.484 6.377 -8.119 1.00 0.00 H new ATOM 0 HB VAL A 108 4.478 4.619 -5.632 1.00 0.00 H new ATOM 0 HG11 VAL A 108 6.736 5.531 -5.275 1.00 0.00 H new ATOM 0 HG12 VAL A 108 6.622 4.628 -6.805 1.00 0.00 H new ATOM 0 HG13 VAL A 108 6.622 6.407 -6.820 1.00 0.00 H new ATOM 0 HG21 VAL A 108 4.765 6.716 -4.375 1.00 0.00 H new ATOM 0 HG22 VAL A 108 4.569 7.642 -5.882 1.00 0.00 H new ATOM 0 HG23 VAL A 108 3.215 6.676 -5.249 1.00 0.00 H new ATOM 1703 N PRO A 109 5.344 4.399 -9.354 1.00 0.00 N ATOM 1704 CA PRO A 109 5.828 3.273 -10.158 1.00 0.00 C ATOM 1705 C PRO A 109 6.843 2.419 -9.407 1.00 0.00 C ATOM 1706 O PRO A 109 7.356 2.821 -8.362 1.00 0.00 O ATOM 1707 CB PRO A 109 6.486 3.953 -11.361 1.00 0.00 C ATOM 1708 CG PRO A 109 6.878 5.302 -10.866 1.00 0.00 C ATOM 1709 CD PRO A 109 5.833 5.693 -9.858 1.00 0.00 C ATOM 0 HA PRO A 109 5.024 2.588 -10.426 1.00 0.00 H new ATOM 0 HB2 PRO A 109 7.353 3.391 -11.708 1.00 0.00 H new ATOM 0 HB3 PRO A 109 5.796 4.025 -12.202 1.00 0.00 H new ATOM 0 HG2 PRO A 109 7.869 5.278 -10.412 1.00 0.00 H new ATOM 0 HG3 PRO A 109 6.919 6.021 -11.684 1.00 0.00 H new ATOM 0 HD2 PRO A 109 6.254 6.302 -9.058 1.00 0.00 H new ATOM 0 HD3 PRO A 109 5.032 6.275 -10.314 1.00 0.00 H new ATOM 1717 N LEU A 110 7.131 1.240 -9.946 1.00 0.00 N ATOM 1718 CA LEU A 110 8.087 0.328 -9.327 1.00 0.00 C ATOM 1719 C LEU A 110 9.505 0.886 -9.412 1.00 0.00 C ATOM 1720 O LEU A 110 9.784 1.775 -10.215 1.00 0.00 O ATOM 1721 CB LEU A 110 8.025 -1.043 -10.002 1.00 0.00 C ATOM 1722 CG LEU A 110 6.625 -1.604 -10.256 1.00 0.00 C ATOM 1723 CD1 LEU A 110 6.709 -3.020 -10.804 1.00 0.00 C ATOM 1724 CD2 LEU A 110 5.799 -1.572 -8.979 1.00 0.00 C ATOM 0 H LEU A 110 6.716 0.893 -10.811 1.00 0.00 H new ATOM 0 HA LEU A 110 7.821 0.220 -8.276 1.00 0.00 H new ATOM 0 HB2 LEU A 110 8.548 -0.980 -10.956 1.00 0.00 H new ATOM 0 HB3 LEU A 110 8.573 -1.755 -9.385 1.00 0.00 H new ATOM 0 HG LEU A 110 6.132 -0.978 -11.000 1.00 0.00 H new ATOM 0 HD11 LEU A 110 5.703 -3.403 -10.979 1.00 0.00 H new ATOM 0 HD12 LEU A 110 7.263 -3.015 -11.743 1.00 0.00 H new ATOM 0 HD13 LEU A 110 7.221 -3.659 -10.084 1.00 0.00 H new ATOM 0 HD21 LEU A 110 4.806 -1.975 -9.178 1.00 0.00 H new ATOM 0 HD22 LEU A 110 6.288 -2.175 -8.214 1.00 0.00 H new ATOM 0 HD23 LEU A 110 5.710 -0.544 -8.629 1.00 0.00 H new ATOM 1736 N GLU A 111 10.395 0.355 -8.579 1.00 0.00 N ATOM 1737 CA GLU A 111 11.783 0.799 -8.562 1.00 0.00 C ATOM 1738 C GLU A 111 12.695 -0.240 -9.208 1.00 0.00 C ATOM 1739 O GLU A 111 13.851 -0.396 -8.815 1.00 0.00 O ATOM 1740 CB GLU A 111 12.237 1.070 -7.126 1.00 0.00 C ATOM 1741 CG GLU A 111 11.873 2.457 -6.624 1.00 0.00 C ATOM 1742 CD GLU A 111 12.494 3.561 -7.457 1.00 0.00 C ATOM 1743 OE1 GLU A 111 13.727 3.531 -7.656 1.00 0.00 O ATOM 1744 OE2 GLU A 111 11.749 4.455 -7.910 1.00 0.00 O ATOM 0 H GLU A 111 10.179 -0.382 -7.908 1.00 0.00 H new ATOM 0 HA GLU A 111 11.849 1.723 -9.137 1.00 0.00 H new ATOM 0 HB2 GLU A 111 11.791 0.326 -6.466 1.00 0.00 H new ATOM 0 HB3 GLU A 111 13.318 0.943 -7.066 1.00 0.00 H new ATOM 0 HG2 GLU A 111 10.789 2.568 -6.630 1.00 0.00 H new ATOM 0 HG3 GLU A 111 12.198 2.561 -5.589 1.00 0.00 H new ATOM 1751 N GLU A 112 12.166 -0.948 -10.201 1.00 0.00 N ATOM 1752 CA GLU A 112 12.932 -1.973 -10.900 1.00 0.00 C ATOM 1753 C GLU A 112 14.351 -1.491 -11.186 1.00 0.00 C ATOM 1754 O GLU A 112 14.551 -0.407 -11.733 1.00 0.00 O ATOM 1755 CB GLU A 112 12.238 -2.356 -12.209 1.00 0.00 C ATOM 1756 CG GLU A 112 10.820 -2.868 -12.019 1.00 0.00 C ATOM 1757 CD GLU A 112 10.355 -3.739 -13.170 1.00 0.00 C ATOM 1758 OE1 GLU A 112 10.886 -4.860 -13.317 1.00 0.00 O ATOM 1759 OE2 GLU A 112 9.461 -3.300 -13.923 1.00 0.00 O ATOM 0 H GLU A 112 11.211 -0.831 -10.539 1.00 0.00 H new ATOM 0 HA GLU A 112 12.988 -2.851 -10.256 1.00 0.00 H new ATOM 0 HB2 GLU A 112 12.216 -1.487 -12.867 1.00 0.00 H new ATOM 0 HB3 GLU A 112 12.828 -3.122 -12.712 1.00 0.00 H new ATOM 0 HG2 GLU A 112 10.765 -3.438 -11.092 1.00 0.00 H new ATOM 0 HG3 GLU A 112 10.143 -2.020 -11.913 1.00 0.00 H new ATOM 1766 N GLU A 113 15.333 -2.306 -10.812 1.00 0.00 N ATOM 1767 CA GLU A 113 16.734 -1.962 -11.027 1.00 0.00 C ATOM 1768 C GLU A 113 17.453 -3.067 -11.794 1.00 0.00 C ATOM 1769 O GLU A 113 17.271 -4.252 -11.514 1.00 0.00 O ATOM 1770 CB GLU A 113 17.433 -1.716 -9.688 1.00 0.00 C ATOM 1771 CG GLU A 113 17.294 -2.869 -8.709 1.00 0.00 C ATOM 1772 CD GLU A 113 18.127 -2.674 -7.457 1.00 0.00 C ATOM 1773 OE1 GLU A 113 17.906 -1.672 -6.746 1.00 0.00 O ATOM 1774 OE2 GLU A 113 19.001 -3.526 -7.188 1.00 0.00 O ATOM 0 H GLU A 113 15.184 -3.208 -10.359 1.00 0.00 H new ATOM 0 HA GLU A 113 16.771 -1.048 -11.620 1.00 0.00 H new ATOM 0 HB2 GLU A 113 18.492 -1.530 -9.869 1.00 0.00 H new ATOM 0 HB3 GLU A 113 17.023 -0.814 -9.234 1.00 0.00 H new ATOM 0 HG2 GLU A 113 16.246 -2.980 -8.430 1.00 0.00 H new ATOM 0 HG3 GLU A 113 17.593 -3.795 -9.199 1.00 0.00 H new ATOM 1781 N ASP A 114 18.271 -2.670 -12.763 1.00 0.00 N ATOM 1782 CA ASP A 114 19.020 -3.626 -13.571 1.00 0.00 C ATOM 1783 C ASP A 114 20.454 -3.757 -13.068 1.00 0.00 C ATOM 1784 O ASP A 114 20.948 -2.900 -12.335 1.00 0.00 O ATOM 1785 CB ASP A 114 19.018 -3.197 -15.039 1.00 0.00 C ATOM 1786 CG ASP A 114 19.690 -4.214 -15.940 1.00 0.00 C ATOM 1787 OD1 ASP A 114 18.993 -5.132 -16.423 1.00 0.00 O ATOM 1788 OD2 ASP A 114 20.912 -4.092 -16.164 1.00 0.00 O ATOM 0 H ASP A 114 18.432 -1.693 -13.008 1.00 0.00 H new ATOM 0 HA ASP A 114 18.534 -4.598 -13.484 1.00 0.00 H new ATOM 0 HB2 ASP A 114 17.990 -3.046 -15.369 1.00 0.00 H new ATOM 0 HB3 ASP A 114 19.527 -2.238 -15.135 1.00 0.00 H new ATOM 1793 N THR A 115 21.119 -4.838 -13.467 1.00 0.00 N ATOM 1794 CA THR A 115 22.496 -5.082 -13.055 1.00 0.00 C ATOM 1795 C THR A 115 23.437 -5.076 -14.254 1.00 0.00 C ATOM 1796 O THR A 115 23.202 -5.768 -15.244 1.00 0.00 O ATOM 1797 CB THR A 115 22.630 -6.428 -12.318 1.00 0.00 C ATOM 1798 OG1 THR A 115 21.666 -6.507 -11.262 1.00 0.00 O ATOM 1799 CG2 THR A 115 24.030 -6.594 -11.746 1.00 0.00 C ATOM 0 H THR A 115 20.726 -5.557 -14.074 1.00 0.00 H new ATOM 0 HA THR A 115 22.772 -4.275 -12.376 1.00 0.00 H new ATOM 0 HB THR A 115 22.449 -7.229 -13.035 1.00 0.00 H new ATOM 0 HG1 THR A 115 21.757 -7.366 -10.800 1.00 0.00 H new ATOM 0 HG21 THR A 115 24.101 -7.552 -11.230 1.00 0.00 H new ATOM 0 HG22 THR A 115 24.760 -6.563 -12.555 1.00 0.00 H new ATOM 0 HG23 THR A 115 24.234 -5.787 -11.042 1.00 0.00 H new ATOM 1807 N GLY A 116 24.506 -4.291 -14.157 1.00 0.00 N ATOM 1808 CA GLY A 116 25.467 -4.210 -15.241 1.00 0.00 C ATOM 1809 C GLY A 116 26.599 -5.207 -15.088 1.00 0.00 C ATOM 1810 O GLY A 116 26.478 -6.362 -15.498 1.00 0.00 O ATOM 0 H GLY A 116 24.723 -3.710 -13.347 1.00 0.00 H new ATOM 0 HA2 GLY A 116 24.957 -4.386 -16.188 1.00 0.00 H new ATOM 0 HA3 GLY A 116 25.878 -3.201 -15.283 1.00 0.00 H new ATOM 1814 N ASP A 117 27.702 -4.761 -14.498 1.00 0.00 N ATOM 1815 CA ASP A 117 28.861 -5.622 -14.291 1.00 0.00 C ATOM 1816 C ASP A 117 29.709 -5.122 -13.126 1.00 0.00 C ATOM 1817 O ASP A 117 30.081 -3.950 -13.074 1.00 0.00 O ATOM 1818 CB ASP A 117 29.707 -5.687 -15.564 1.00 0.00 C ATOM 1819 CG ASP A 117 31.152 -6.048 -15.280 1.00 0.00 C ATOM 1820 OD1 ASP A 117 31.888 -5.185 -14.757 1.00 0.00 O ATOM 1821 OD2 ASP A 117 31.547 -7.194 -15.580 1.00 0.00 O ATOM 0 H ASP A 117 27.818 -3.808 -14.154 1.00 0.00 H new ATOM 0 HA ASP A 117 28.502 -6.623 -14.051 1.00 0.00 H new ATOM 0 HB2 ASP A 117 29.279 -6.423 -16.245 1.00 0.00 H new ATOM 0 HB3 ASP A 117 29.669 -4.723 -16.072 1.00 0.00 H new ATOM 1826 N ASP A 118 30.010 -6.019 -12.193 1.00 0.00 N ATOM 1827 CA ASP A 118 30.814 -5.669 -11.028 1.00 0.00 C ATOM 1828 C ASP A 118 32.275 -6.056 -11.240 1.00 0.00 C ATOM 1829 O ASP A 118 32.589 -7.094 -11.822 1.00 0.00 O ATOM 1830 CB ASP A 118 30.267 -6.360 -9.778 1.00 0.00 C ATOM 1831 CG ASP A 118 29.970 -7.829 -10.011 1.00 0.00 C ATOM 1832 OD1 ASP A 118 29.209 -8.137 -10.952 1.00 0.00 O ATOM 1833 OD2 ASP A 118 30.498 -8.669 -9.253 1.00 0.00 O ATOM 0 H ASP A 118 29.709 -6.993 -12.221 1.00 0.00 H new ATOM 0 HA ASP A 118 30.759 -4.589 -10.890 1.00 0.00 H new ATOM 0 HB2 ASP A 118 30.989 -6.262 -8.967 1.00 0.00 H new ATOM 0 HB3 ASP A 118 29.356 -5.855 -9.456 1.00 0.00 H new ATOM 1838 N PRO A 119 33.189 -5.201 -10.759 1.00 0.00 N ATOM 1839 CA PRO A 119 34.632 -5.431 -10.884 1.00 0.00 C ATOM 1840 C PRO A 119 35.112 -6.588 -10.014 1.00 0.00 C ATOM 1841 O PRO A 119 34.962 -6.561 -8.792 1.00 0.00 O ATOM 1842 CB PRO A 119 35.244 -4.112 -10.406 1.00 0.00 C ATOM 1843 CG PRO A 119 34.219 -3.525 -9.499 1.00 0.00 C ATOM 1844 CD PRO A 119 32.886 -3.944 -10.054 1.00 0.00 C ATOM 0 HA PRO A 119 34.915 -5.704 -11.901 1.00 0.00 H new ATOM 0 HB2 PRO A 119 36.186 -4.279 -9.883 1.00 0.00 H new ATOM 0 HB3 PRO A 119 35.458 -3.448 -11.244 1.00 0.00 H new ATOM 0 HG2 PRO A 119 34.348 -3.886 -8.479 1.00 0.00 H new ATOM 0 HG3 PRO A 119 34.304 -2.439 -9.465 1.00 0.00 H new ATOM 0 HD2 PRO A 119 32.151 -4.094 -9.263 1.00 0.00 H new ATOM 0 HD3 PRO A 119 32.478 -3.193 -10.730 1.00 0.00 H new TER 1852 PRO A 119